diff --git "a/chembl_approved/chembl_approved_details.json" "b/chembl_approved/chembl_approved_details.json" new file mode 100644--- /dev/null +++ "b/chembl_approved/chembl_approved_details.json" @@ -0,0 +1,30141 @@ +{ + "CHEMBL182_approved": { + "title": "GANCICLOVIR", + "synonyms": [ + "BW 759U", + "BW-759U", + "CYMEVENE", + "CYTOVENE", + "Cymevene", + "GANCICLOVIR", + "GANCYCLOVIR", + "GANZYK-RTU", + "NSC-759656", + "RS-21592", + "VALGANCICLOVIR HYDROCHLORIDE IMPURITY A", + "VIRGAN", + "VITRASERT", + "Vitrasert Implant", + "ZIRGAN" + ], + "smiles": "Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1", + "atc_code": "S01AD09 | J05AB06" + }, + "CHEMBL864_approved": { + "title": "CARBINOXAMINE", + "synonyms": [ + "CARBINOXAMINE", + "Carbinoxamine", + "Clistin", + "Palgic" + ], + "smiles": "CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1", + "atc_code": "R06AA08" + }, + "CHEMBL807_approved": { + "title": "MEMANTINE", + "synonyms": [ + "D-145", + "DRG-0267", + "MEMANTINE", + "Memantine", + "NSC-757843", + "Namenda" + ], + "smiles": "CC12CC3CC(C)(C1)CC(N)(C3)C2", + "atc_code": "N06DX01" + }, + "CHEMBL30_approved": { + "title": "CIMETIDINE", + "synonyms": [ + "ACID-EZE", + "ACILOC", + "ACINIL", + "ACITAK 200", + "ACITAK 400", + "ACITAK 800", + "BRUMETIDINA", + "Brumetadina", + "CIMAL", + "CIMETIDINE", + "CIMETIDINUM", + "DYSPAMET", + "GALENAMET", + "GASTROMET", + "KENTAMET", + "NSC-335308", + "PEPTIMAX 200", + "PEPTIMAX 400", + "PEPTIMAX 800", + "SKF-92334", + "STOMEDINE", + "TAGADINE", + "TAGAMET", + "TAGAMET 100", + "TAGAMET HB", + "TAGAMET HB 200", + "ULCEDIN", + "ULCIMET", + "ULCOMEDINA", + "ULTEC", + "Valmagen", + "ZITA" + ], + "smiles": "CN/C(=N\\CCSCc1nc[nH]c1C)NC#N", + "atc_code": "A02BA51 | A02BA01" + }, + "CHEMBL1201354_approved": { + "title": "TRIDIHEXETHYL", + "synonyms": [ + "TRIDIHEXETHYL", + "TRIDIHEXETHYL CATION", + "TRIDIHEXETHYL ION", + "Tridihexethyl" + ], + "smiles": "CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1", + "atc_code": "A03AB08" + }, + "CHEMBL453_approved": { + "title": "SULFISOXAZOLE", + "synonyms": [ + "Entusil", + "Eryzole", + "GANTRISIN", + "NSC-13120", + "NSC-683536", + "Neazolin", + "Pediazole", + "SOSOL", + "SOXAZOLE", + "SULFAFURAZOLE", + "SULFALAR", + "SULFISOXAZOLE", + "SULPHAFURAZOLE", + "SULSOXIN", + "Sulfafurazole", + "Sulfisoxazole", + "Sulphafurazole" + ], + "smiles": "Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C", + "atc_code": "J01EB05 | S01AB02" + }, + "CHEMBL644_approved": { + "title": "TRIMIPRAMINE", + "synonyms": [ + "7162 RP", + "7162-RP", + "IL 6001", + "IL-6001", + "Surmontil", + "TRIMEPROPRIMINE", + "TRIMIPRAMINE", + "Trimipramine" + ], + "smiles": "CC(CN(C)C)CN1c2ccccc2CCc2ccccc21", + "atc_code": "N06AA06" + }, + "CHEMBL1580_approved": { + "title": "PENTOSTATIN", + "synonyms": [ + "CI-825", + "DEOXYCOFORMYCIN", + "NIPENT", + "NSC-218321", + "Nipent", + "PD 81565", + "PD-81565", + "PENTOSTATIN", + "YK-176" + ], + "smiles": "OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O", + "atc_code": "L01XX08" + }, + "CHEMBL1166_approved": { + "title": "ARGATROBAN", + "synonyms": [ + "ACOVA", + "ARGATROBAN", + "ARGATROBAN ANHYDROUS", + "ARGATROBAN HYDRATE", + "ARGATROBAN IN DEXTROSE", + "ARGATROBAN IN SODIUM CHLORIDE", + "ARGATROBAN MONOHYDRATE", + "ARGIPIDINE", + "DK-7419", + "GN-1600", + "GN1600", + "MCI-9038", + "MD-805" + ], + "smiles": "CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1", + "atc_code": "B01AE03" + }, + "CHEMBL1256815_approved": { + "title": "PRADOFLOXACIN", + "synonyms": [ + "PRADOFLOXACIN", + "VERAFLOX", + "Veraflox" + ], + "smiles": "N#Cc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", + "atc_code": null + }, + "CHEMBL2109882_approved": { + "title": "TRISILICATE", + "synonyms": null, + "smiles": "O=[Si](O)O[Si](O)(O)O[Si](=O)O", + "atc_code": null + }, + "CHEMBL930_approved": { + "title": "GLUTAMINE", + "synonyms": [ + "ENDARI", + "FEMA NO. 3684", + "GLUTAMINE", + "L-GLUTAMINE", + "LEVOGLUTAMIDE", + "NSC-27421", + "NUTRESTORE" + ], + "smiles": "NC(=O)CC[C@H](N)C(=O)O", + "atc_code": "A16AA03" + }, + "CHEMBL2110625_approved": { + "title": "CEFOVECIN", + "synonyms": [ + "CEFOVECIN", + "CEFOVECIN (EMA EPAR: VETERINARY)", + "CONVENIA" + ], + "smiles": "CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C([C@@H]3CCCO3)CS[C@H]12)c1csc(N)n1", + "atc_code": null + }, + "CHEMBL1200555_approved": { + "title": "IOTROLAN", + "synonyms": [ + "IOTROL", + "IOTROLAN", + "ISOVIST 300", + "OSMOVIST 190", + "OSMOVIST 240", + "ZK 39 482", + "ZK-39-482", + "ZK-39482" + ], + "smiles": "CN(C(=O)CC(=O)N(C)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I", + "atc_code": "V08AB06" + }, + "CHEMBL1200861_approved": { + "title": "TARTARIC ACID", + "synonyms": [ + "E334", + "TARTARIC ACID" + ], + "smiles": "O=C(O)[C@@H](O)[C@H](O)C(=O)O", + "atc_code": null + }, + "CHEMBL2105248_approved": { + "title": "POTASSIUM BITARTRATE", + "synonyms": [ + "ACID POTASSIUM TARTRATE", + "E-336(I)", + "FAECLA", + "FAECULA", + "INS NO.336(I)", + "INS-336(I)", + "MONOPOTASSIUM TARTRATE (336(I))", + "NSC-155080", + "POTASSIUM ACID TARTRATE", + "POTASSIUM BITARTRATE", + "POTASSIUM HYDROGEN TARTRATE", + "POTASSIUM HYDROGENTARTRATE", + "PURIFIED CREAM OF TARTAR" + ], + "smiles": "O=C([O-])[C@H](O)[C@@H](O)C(=O)O.[K+]", + "atc_code": "A12BA03" + }, + "CHEMBL1200679_approved": { + "title": "ZINC CHLORIDE", + "synonyms": [ + "NSC-529648", + "ZINC CHLORIDE", + "ZINCUM MURIATICUM" + ], + "smiles": "[Cl-].[Cl-].[Zn+2]", + "atc_code": "B05XA12" + }, + "CHEMBL1200368_approved": { + "title": "BENTIROMIDE", + "synonyms": [ + "BENTIROMIDE", + "BTPABA PFT", + "BTPABA, PFT", + "BTPABA-PFT", + "BTPABAPFT", + "CHYMEX", + "E-2663" + ], + "smiles": "O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1", + "atc_code": "V04CK03" + }, + "CHEMBL1681_approved": { + "title": "IODOHIPPURATE", + "synonyms": [ + "Iodohippurate" + ], + "smiles": "O=C(O)CNC(=O)c1ccccc1I", + "atc_code": null + }, + "CHEMBL4299940_approved": { + "title": "MITAPIVAT", + "synonyms": [ + "AG-348", + "MITAPIVAT", + "PKR-IN-1" + ], + "smiles": "O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1", + "atc_code": "B06AX04" + }, + "CHEMBL1201303_approved": { + "title": "PYRVINIUM", + "synonyms": [ + "PYRVINIUM", + "PYRVINIUM (CATION)", + "PYRVINIUM CATION", + "PYRVINIUM HYDROXIDE", + "PYRVINIUM ION", + "PYRVINUM (BASE)", + "Pyrvinium" + ], + "smiles": "Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1", + "atc_code": "P02CX01" + }, + "CHEMBL1505_approved": { + "title": "ALMOTRIPTAN", + "synonyms": [ + "ALMOTRIPTAN", + "Almotriptan", + "LAS 31416", + "LAS-31416", + "NSC-760092" + ], + "smiles": "CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12", + "atc_code": "N02CC05" + }, + "CHEMBL1200453_approved": { + "title": "DOCOSANOL", + "synonyms": [ + "ABREVA", + "BEHENIC ALCOHOL", + "BEHENYL ALCOHOL", + "DOCOSANOL", + "Docosanol", + "LIDAKOL", + "N-DOCOSANOL", + "NSC-8407", + "STENOL 1822" + ], + "smiles": "CCCCCCCCCCCCCCCCCCCCCCO", + "atc_code": "D06BB11" + }, + "CHEMBL3_approved": { + "title": "NICOTINE", + "synonyms": [ + "HABITROL", + "NICABATE", + "NICODERM CQ", + "NICOPASS", + "NICOPATCH", + "NICORETTE INVISI", + "NICOTINE", + "NICOTINELL CLASSIC", + "NICOTINELL SUPPORT", + "NICOTINELL TTS 10", + "NICOTINELL TTS 20", + "NICOTINELL TTS 30", + "NICOTROL", + "NIQUITIN", + "NIQUITIN CLR", + "NIQUITIN MINIS CHERRY", + "NIQUITIN MINIS MINT", + "NIQUITIN MINIS ORANGE", + "NIQUITIN MINT", + "NIQUITIN PRE-QUIT", + "NIQUITIN STRIPS MINT", + "Nicotine", + "Nicotrol Inhaler", + "Nicotrol NS", + "PROSTEP", + "STOPPERS", + "STUBIT" + ], + "smiles": "CN1CCC[C@H]1c1cccnc1", + "atc_code": "N07BA01" + }, + "CHEMBL266349_approved": { + "title": "MELAGATRAN", + "synonyms": [ + "MELAGATRAN" + ], + "smiles": "N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1", + "atc_code": "B01AE04" + }, + "CHEMBL1201286_approved": { + "title": "OXYPHENONIUM", + "synonyms": [ + "OXYPHENONIUM", + "OXYPHENONIUM CATION", + "OXYPHENONIUM ION", + "Oxyphenonium" + ], + "smiles": "CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1", + "atc_code": "A03AB53 | A03AB03" + }, + "CHEMBL4297666_approved": { + "title": "OMIDENEPAG ISOPROPYL", + "synonyms": [ + "DE-117", + "OMIDENEPAG ISOPROPYL", + "OMLONTI" + ], + "smiles": "CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1", + "atc_code": null + }, + "CHEMBL2105755_approved": { + "title": "NALDEMEDINE", + "synonyms": [ + "NALDEMEDINE", + "Naldemedine", + "S-297995" + ], + "smiles": "CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1", + "atc_code": "A06AH05" + }, + "CHEMBL220491_approved": { + "title": "BRINZOLAMIDE", + "synonyms": [ + "AL-4862", + "Azopt", + "BRINZOLAMIDE", + "NSC-760050" + ], + "smiles": "CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", + "atc_code": "S01EC04 | S01EC54" + }, + "CHEMBL829_approved": { + "title": "METHYLPROMAZINE", + "synonyms": [ + "ALIMEMAZINE", + "BAYER-1219", + "DL-TRIMEPRAZINE", + "METHYLPROMAZINE", + "Methylpromazine", + "RP-6549", + "TRIMEPRAZINE", + "Temaril", + "Trimeprazine" + ], + "smiles": "CC(CN(C)C)CN1c2ccccc2Sc2ccccc21", + "atc_code": "R06AD01" + }, + "CHEMBL10878_approved": { + "title": "AGOMELATINE", + "synonyms": [ + "AGOMELATINE", + "S-20098", + "S20098", + "THYMANAX", + "Thymanax", + "VALDOXAN" + ], + "smiles": "COc1ccc2cccc(CCNC(C)=O)c2c1", + "atc_code": "N06AX22" + }, + "CHEMBL454446_approved": { + "title": "CEFDITOREN PIVOXIL", + "synonyms": [ + "CDTR-PI", + "CEFDITOREN PIVALOYLOXYMETHYL ESTER", + "CEFDITOREN PIVOXIL", + "Cefditoren", + "Cefditoren pivoxil", + "ME-1207", + "ME1207", + "Meiact", + "NSC-759098", + "SPECTRACEF" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\\c3scnc3C)CS[C@H]12)c1csc(N)n1", + "atc_code": null + }, + "CHEMBL404_approved": { + "title": "TAZOBACTAM", + "synonyms": [ + "CL 298,741", + "CL-298741", + "NSC-759887", + "TAZOBACTAM", + "Tazobactam", + "YTR-830H" + ], + "smiles": "C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O", + "atc_code": "J01CG02" + }, + "CHEMBL615_approved": { + "title": "PENICILLIN V", + "synonyms": [ + "DISTAQUAINE V", + "PENICILLIN PHENOXYMETHYL", + "PENICILLIN V", + "PHENOMYCILLINE", + "PHENOXYMETHYLPENICILLIN", + "PHENOXYMETHYLPENICILLINUM", + "Penapar-VK", + "Penicillin-VK", + "V-CILLIN", + "VEBECILLIN", + "Veetids" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CE02" + }, + "CHEMBL2105741_approved": { + "title": "TRAMETINIB DIMETHYL SULFOXIDE", + "synonyms": [ + "GSK-1120212B", + "GSK1120212B", + "Mekinist", + "TRAMETINIB DIMETHYL SULFOXIDE" + ], + "smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.C[S+](C)[O-]", + "atc_code": null + }, + "CHEMBL1208_approved": { + "title": "CINOXACIN", + "synonyms": [ + "64716", + "CINOBAC", + "CINOXACIN", + "NSC-304467" + ], + "smiles": "CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3", + "atc_code": "J01MB06" + }, + "CHEMBL2105420_approved": { + "title": "TAUROLIDINE", + "synonyms": [ + "(CYCLO)-TAUROLIDINE", + "CYCLO-TAUROLIDINE", + "TAUROLIDINE", + "W-3100M" + ], + "smiles": "O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1", + "atc_code": "B05CA05" + }, + "CHEMBL1252_approved": { + "title": "ABARELIX", + "synonyms": [ + "ABARELIX", + "PLENAXIS", + "PPI-149", + "Plenaxis", + "R-382", + "R-3827", + "R382", + "R3827" + ], + "smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", + "atc_code": "L02BX01" + }, + "CHEMBL1568698_approved": { + "title": "GANAXOLONE", + "synonyms": [ + "CCD 1042", + "CCD-1042", + "DEA NO. 2401", + "GANAXOLONE", + "ZTALMY" + ], + "smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "N03AX27" + }, + "CHEMBL1200907_approved": { + "title": "TRILOSTANE", + "synonyms": [ + "DESOPAN", + "MODRASTANE", + "MODRENAL", + "NSC-758904", + "TRILOSTANE", + "WIN 24,540", + "WIN-24540" + ], + "smiles": "C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O", + "atc_code": "H02CA01" + }, + "CHEMBL778_approved": { + "title": "DEXMEDETOMIDINE", + "synonyms": [ + "DEXMEDETOMIDINE", + "Dexmedetomidine", + "MEDETOMIDINE, (S)-", + "MPV-1440" + ], + "smiles": "Cc1cccc([C@H](C)c2c[nH]cn2)c1C", + "atc_code": "N05CM18" + }, + "CHEMBL2219640_approved": { + "title": "STRONTIUM CHLORIDE", + "synonyms": [ + "STRONTIUM CHLORIDE" + ], + "smiles": "[Cl-].[Cl-].[Sr+2]", + "atc_code": null + }, + "CHEMBL4066936_approved": { + "title": "VERICIGUAT", + "synonyms": [ + "BAY 1021189", + "BAY-1021189", + "MK-1242", + "VERICIGUAT", + "Verquvo" + ], + "smiles": "COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N", + "atc_code": "C01DX22" + }, + "CHEMBL710_approved": { + "title": "FINASTERIDE", + "synonyms": [ + "AINDEEM", + "FINASTERIDE", + "MK-906", + "NSC-741485", + "NSC-759318", + "PROPECIA", + "PROSCAR", + "PROSTIDE" + ], + "smiles": "CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "G04CB01 | D11AX10" + }, + "CHEMBL753_approved": { + "title": "PHENOXYBENZAMINE", + "synonyms": [ + "BENSYLYT", + "BENZYLYT", + "DIBENYLIN", + "PHENOXYBENZAMINE", + "Phenoxybenzamine" + ], + "smiles": "CC(COc1ccccc1)N(CCCl)Cc1ccccc1", + "atc_code": "C04AX02" + }, + "CHEMBL1231_approved": { + "title": "OXYBUTYNIN", + "synonyms": [ + "ANTUROL", + "CONTIMIN 2.5", + "CONTIMIN 5", + "CYSTRIN", + "DITROPAN", + "DITROPAN XL", + "Ditropan", + "KENTERA", + "Kentera (previously Oxybutynin Nicobrand)", + "LYRINEL XL", + "OXYBUTYNIN", + "OXYTROL", + "OXYTROL FOR WOMEN", + "PROMICTULINE", + "URIMIN" + ], + "smiles": "CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1", + "atc_code": "G04BD04" + }, + "CHEMBL420_approved": { + "title": "GUANABENZ", + "synonyms": [ + "GUANABENZ", + "Guanabenz", + "NSC-68982", + "WY-8678" + ], + "smiles": "N=C(N)N/N=C/c1c(Cl)cccc1Cl", + "atc_code": null + }, + "CHEMBL659_approved": { + "title": "GALANTAMINE", + "synonyms": [ + "(-)-GALANTAMINE", + "(-)-GALANTHAMINE", + "ACUMOR XL", + "CONSION XL", + "ELMINO XL", + "GALANTAMINE", + "GALANTHAMINE", + "GALSYA XL", + "GALZEMIC XL", + "GATALIN XL", + "GAZYLAN XL", + "Galantamine", + "LOTPROSIN XL", + "LUVENTA XL", + "NSC-100058", + "REMINYL", + "REMINYL XL", + "Razadyne", + "ZEEBRAL XL" + ], + "smiles": "COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2", + "atc_code": "N06DA04" + }, + "CHEMBL1111_approved": { + "title": "AMBRISENTAN", + "synonyms": [ + "AMBRISENTAN", + "Ambrisentan", + "Ambrisentan Mylan", + "GSK-1325760", + "GSK-1325760A", + "GSK1325760", + "GSK1325760A", + "LETAIRIS", + "LU-208075", + "VOLIBRIS" + ], + "smiles": "COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O", + "atc_code": "C02KX02" + }, + "CHEMBL1441_approved": { + "title": "ETHIONAMIDE", + "synonyms": [ + "1314 TH", + "1314-TH", + "BAYER 5312", + "ETHIONAMIDE", + "ETHIONAMIDUM", + "NIZOTIN", + "NSC-255115", + "TRECATOR", + "TRECATOR-SC" + ], + "smiles": "CCc1cc(C(N)=S)ccn1", + "atc_code": "J04AD03" + }, + "CHEMBL1170_approved": { + "title": "TESTOSTERONE PROPIONATE", + "synonyms": [ + "NRB-03689", + "NSC-9166", + "ORCHISTERONE", + "TESTOSTERON 17-PROPIONATE", + "TESTOSTERONE 17.BETA.-PROPIONATE", + "TESTOSTERONE PROPIONATE", + "TESTOSTERONE PROPIONATE CIII", + "TESTOSTERONI PROPIONAS", + "Testosterone Propionate", + "VIRORMONE" + ], + "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL608_approved": { + "title": "PROBUCOL", + "synonyms": [ + "Bisbid", + "DH-581", + "LORELCO", + "LURSELLE", + "NSC-652160", + "NSC-86225", + "PROBUCOL", + "Probucol", + "Sinlestal" + ], + "smiles": "CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1", + "atc_code": "C10AX02" + }, + "CHEMBL1186579_approved": { + "title": "METHYLNALTREXONE", + "synonyms": [ + "METHYLNALTREXONE", + "METHYLNALTREXONE CATION", + "METHYLNALTREXONE ION", + "MRZ-2663", + "Methylnaltrexone" + ], + "smiles": "C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", + "atc_code": null + }, + "CHEMBL516_approved": { + "title": "CYPROHEPTADINE", + "synonyms": [ + "CIPROVIT", + "CYPROHEPTADINE", + "Cyproheptadine" + ], + "smiles": "CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1", + "atc_code": "R06AX02" + }, + "CHEMBL596_approved": { + "title": "FENTANYL", + "synonyms": [ + "ABSTRAL", + "ABSTRAL-", + "ACTIQ", + "AD 923", + "AD-923", + "BREAKYL", + "DURAGESIC-100", + "DURAGESIC-12", + "DURAGESIC-25", + "DURAGESIC-37", + "DURAGESIC-50", + "DURAGESIC-75", + "DUROGESIC", + "DUROGESIC D-TRANS", + "DUROGESIC DTRANS", + "EFFENTORA", + "EN-3267", + "EN3267", + "FENCINO", + "FENDROP", + "FENTALIS RESERVOIR", + "FENTANEST", + "FENTANYL", + "FENTANYL CII", + "FENTANYL-100", + "FENTANYL-12", + "FENTANYL-25", + "FENTANYL-37", + "FENTANYL-50", + "FENTANYL-62", + "FENTANYL-75", + "FENTANYL-87", + "Fentora", + "IDS-NF-001", + "IONSYS", + "Innovar", + "Ionsys", + "Leptanal", + "MATRIFEN", + "MEZOLAR MATRIX", + "MYLAFENT", + "N02AB03", + "OPIODUR", + "OSMACH", + "OSMANIL", + "Oralet", + "PECFENT", + "PHENTANYL", + "R 4263", + "RECIVIT", + "RECUVYRA", + "SUBLIMASE", + "SUBSYS", + "Sublimaze", + "TILOFYL", + "VICTANYL", + "YEMEX" + ], + "smiles": "CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1", + "atc_code": "N02AB03 | N01AH01 | N01AH51" + }, + "CHEMBL2107831_approved": { + "title": "LUSUTROMBOPAG", + "synonyms": [ + "LUSUTROMBOPAG", + "MULPLETA", + "Mulpleo (previously Lusutrombopag Shionogi)", + "RSC888711", + "S-888711" + ], + "smiles": "CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\\C)C(=O)O)c(Cl)c3)n2)c1OC", + "atc_code": "B02BX07" + }, + "CHEMBL94454_approved": { + "title": "MIZOLASTINE", + "synonyms": [ + "MIZOLASTINE", + "MIZOLLEN" + ], + "smiles": "CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1", + "atc_code": "R06AX25" + }, + "CHEMBL838_approved": { + "title": "BENAZEPRIL", + "synonyms": [ + "BENAZEPRIL", + "BENAZEPRIL SANDOZ", + "BRIEM", + "Benazepril", + "C09AA07", + "CGS-14824A", + "CIBACEN WS", + "CIBACENE", + "FORTEEKOR", + "Lotensin", + "Lotrel" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O", + "atc_code": "C09AA07" + }, + "CHEMBL315838_approved": { + "title": "ENCAINIDE", + "synonyms": [ + "ENCAINIDE" + ], + "smiles": "COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1", + "atc_code": "C01BC08" + }, + "CHEMBL539423_approved": { + "title": "SPARSENTAN", + "synonyms": [ + "FILSPARI", + "PS-433540", + "PS433540", + "RE-021", + "SPARSENTAN", + "Sparsentan" + ], + "smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1", + "atc_code": null + }, + "CHEMBL953_approved": { + "title": "ENTACAPONE", + "synonyms": [ + "COMTAN", + "COMTESS", + "ENTACAPONE", + "ENTACAPONE ORION", + "ENTACAPONE TEVA", + "Entacapone Orion", + "OR-611" + ], + "smiles": "CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1", + "atc_code": "N04BX02" + }, + "CHEMBL44354_approved": { + "title": "CEFTAZIDIME", + "synonyms": [ + "CEFTAZIDIME", + "CEFTAZIDIME ANHYDROUS", + "CEFTAZIDIME HYDRATE", + "CEFTAZIDIME PENTAHYDRATE", + "CEPTAZ", + "Ceftazidime (arginine formulation)", + "Ceptaz", + "FORTAZ", + "Fortam", + "Fortaz", + "Fortum", + "GR 20263", + "GR-20263", + "J01DD07", + "Kefazim", + "LY 139381", + "LY-139381", + "NSC-759260", + "PENTACEF", + "Pentacef", + "TAZICEF", + "TAZIDIME", + "Tazicef", + "Tazidime" + ], + "smiles": "CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O", + "atc_code": "J01DD02" + }, + "CHEMBL1098319_approved": { + "title": "2-MERCAPTOETHANESULFONIC ACID", + "synonyms": [ + "COENZYME M", + "MESNA FREE ACID" + ], + "smiles": "O=S(=O)(O)CCS", + "atc_code": null + }, + "CHEMBL1183349_approved": { + "title": "ISAVUCONAZONIUM", + "synonyms": [ + "BAL-8557", + "BAL-8557-000", + "BAL-8557000", + "BAL8557", + "BAL8557-000", + "ISAVUCONAZONIUM", + "ISAVUCONAZONIUM CATION", + "ISAVUCONAZONIUM ION" + ], + "smiles": "CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1", + "atc_code": null + }, + "CHEMBL1359_approved": { + "title": "ERTAPENEM", + "synonyms": [ + "ERTAPENEM", + "Ertapenem", + "Invanz" + ], + "smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12", + "atc_code": "J01DH03" + }, + "CHEMBL477_approved": { + "title": "ADENOSINE", + "synonyms": [ + "9-.BETA.-D-RIBOFURANOSYLADENINE", + "ADENOCARD", + "ADENOCOR", + "ADENOSCAN", + "ADENOSINE", + "Adenosine", + "NSC-7652", + "SR 96225", + "SR-96225" + ], + "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O", + "atc_code": "C01EB10" + }, + "CHEMBL1684_approved": { + "title": "BENDROFLUMETHIAZIDE", + "synonyms": [ + "APRINOX", + "BENDROFLUAZIDE", + "BENDROFLUMETHIAZIDE", + "BENZYDROFLUMETHIAZIDE", + "BERKOZIDE", + "Bendroflumethiazide", + "CENTYL", + "NATURETIN-10", + "NATURETIN-2.5", + "NATURETIN-5", + "NEO-BENDROMAX 2.5", + "NEO-BENDROMAX 5", + "NEO-NACLEX", + "NSC-758229", + "URIZIDE" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O", + "atc_code": "C03AA01" + }, + "CHEMBL4_approved": { + "title": "OFLOXACIN", + "synonyms": [ + "DL-8280", + "EXOCIN", + "FLOXIN", + "FLOXIN OTIC", + "HOE 280", + "HOE-280", + "J01MA01", + "NSC-727071", + "NSC-758178", + "OCUFLOX", + "OFLOXACIN", + "TARIVID", + "TARIVID 400", + "TARIVID I.V.", + "Visiren" + ], + "smiles": "CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", + "atc_code": "J01MA01 | S02AA16 | S01AE01" + }, + "CHEMBL809_approved": { + "title": "SERTRALINE", + "synonyms": [ + "SERTRALINE", + "Sertraline" + ], + "smiles": "CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21", + "atc_code": "N06AB06" + }, + "CHEMBL3546271_approved": { + "title": "FLORTAUCIPIR", + "synonyms": [ + "FLORTAUCIPIR", + "T-807", + "T807" + ], + "smiles": "Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1", + "atc_code": null + }, + "CHEMBL1497_approved": { + "title": "BETAMETHASONE VALERATE", + "synonyms": [ + "AUDAVATE", + "AUDAVATE RD", + "BETA-VAL", + "BETACAP", + "BETADERM", + "BETAMETH VAL IN COAL TAR", + "BETAMETHASONE (AS VALERATE)", + "BETAMETHASONE 17-VALERATE", + "BETAMETHASONE VALERATE", + "BETAMETHASONI VALERAS", + "BETATREX", + "BETESIL", + "BETNOVATE RD", + "BETNOVATE-C", + "BETNOVATE-N", + "BETTAMOUSSE", + "BEXTASOL", + "DERMABET", + "FUCIBET", + "LUXIQ", + "NSC-755912", + "RINDERON V", + "STANOVAL", + "TOKUDERM", + "VALISONE", + "VALNAC", + "XEMACORT" + ], + "smiles": "CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL1200686_approved": { + "title": "PIMECROLIMUS", + "synonyms": [ + "(-)-PIMECROLIMUS", + "ELIDEL", + "PIMECROLIMUS", + "SDZ ASM 981", + "SDZ ASM-981", + "SDZ-ASM 981", + "SDZ-ASM-981" + ], + "smiles": "CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", + "atc_code": "D11AH02" + }, + "CHEMBL1090_approved": { + "title": "VIDARABINE", + "synonyms": [ + "ARA-A", + "ARASENA-A", + "Arabinosyladenine", + "CI 673", + "CI-673", + "NSC-247519", + "NSC-404241", + "NSC-757383", + "VIDARABINE", + "VIDARABINE ANHYDROUS", + "VIDARABINE MONOHYDRATE", + "VIDARABINE, ANHYDROUS", + "VIRA-A" + ], + "smiles": "Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", + "atc_code": "S01AD06 | J05AB03" + }, + "CHEMBL19019_approved": { + "title": "NALTREXONE", + "synonyms": [ + "Celupan", + "EN-1639A", + "EN-1639A FREE BASE", + "EN-1639A [AS HYDROCHLORIDE]", + "NALTREXONE", + "NSC-758439", + "Revia", + "Trexal", + "Trexan", + "VIVITROL" + ], + "smiles": "O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", + "atc_code": "N07BB04" + }, + "CHEMBL467_approved": { + "title": "HYDROXYUREA", + "synonyms": [ + "DROXIA", + "HYDREA", + "HYDROXYCARBAMIDE", + "HYDROXYUREA", + "NSC-32065", + "SQ 1089", + "SQ-1089", + "Siklos" + ], + "smiles": "NC(=O)NO", + "atc_code": "L01XX05" + }, + "CHEMBL35_approved": { + "title": "FUROSEMIDE", + "synonyms": [ + "ALUZINE 20", + "ALUZINE 40", + "ALUZINE 500", + "Aquamed", + "DIURESAL", + "DRYPTAL", + "Disal", + "FROOP", + "FRUMAX", + "FRUMIL", + "FRUSEMIDE", + "FRUSETIC", + "FRUSID", + "FRUSOL", + "FUROSCIX", + "FUROSEMIDE", + "FUROSEMIDUM", + "Frusemide", + "HYDROLED", + "LASIX", + "LASIX RET", + "LB-502", + "LOGIRENE", + "MARSEMIDE", + "MIRFAT", + "NSC-269420", + "OEDEMEX", + "RUSYDE", + "TENKOFRUSE" + ], + "smiles": "NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl", + "atc_code": "C03CA01" + }, + "CHEMBL1200500_approved": { + "title": "BECLOMETHASONE DIPROPIONATE", + "synonyms": [ + "AEROBEC 100", + "AEROBEC 50", + "AEROBEC FTE 250", + "ASMABEC CLICKHALER", + "ASMABEC SPACEHALER", + "BECLAZONE 100", + "BECLAZONE 100 E-BREATHE", + "BECLAZONE 200", + "BECLAZONE 250", + "BECLAZONE 250 E-BREATHE", + "BECLAZONE 50", + "BECLAZONE 50 E-BREATHE", + "BECLOAQUA 50", + "BECLOFORTE", + "BECLOFORTE E-BREATHE", + "BECLOFORTE INTEGRA", + "BECLOFORTE-VM", + "BECLOMET DIPROP", + "BECLOMET HAYFEVER", + "BECLOMETASONE", + "BECLOMETASONE DIPROPIONATE", + "BECLOMETHASONE", + "BECLOMETHASONE DIPROPIONATE", + "BECLOMIST", + "BECLOTAIDE", + "BECLOVENT", + "BECODISKS", + "BECONASE", + "BECONASE AQ", + "BECOTIDE", + "BECOTIDE 100", + "BECOTIDE 100 E-BREATHE", + "BECOTIDE 200", + "BECOTIDE 50", + "BECOTIDE 50 E-BREATHE", + "CLENIL MODULITE", + "CLIPPER", + "FILAIR 100", + "FILAIR 50", + "FILAIR FTE", + "FOSTAIR", + "FOSTAIR NEXTHALER", + "NASOBEC AQ", + "NASOBEC HAYFEVER", + "NSC-755901", + "PROPADERM", + "PROPADERM FTE", + "PROPADERM-A", + "PROPADERM-C", + "PULVINAL BECLOMET", + "QNASL", + "QVAR 100", + "QVAR 100 E-BREATHE", + "QVAR 40", + "QVAR 50", + "QVAR 50 E-BREATHE", + "QVAR 80", + "QVAR REDIHALER", + "RINO CLENIL", + "SCH 18020W", + "SCH 8020W", + "SCH-18020W", + "SGX-201", + "SGX-202", + "SGX-203", + "VANCENASE", + "VANCENASE AQ", + "VANCENASE POCKETHALER", + "VANCERIL", + "VANCERIL DOUBLE STRENGTH", + "VENTIDE", + "VIVABEC", + "ZONIVENT AQUANASAL" + ], + "smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C", + "atc_code": "R03BA01 | D07AC15 | R01AD01 | A07EA07" + }, + "CHEMBL599_approved": { + "title": "MELOXICAM", + "synonyms": [ + "ACTICAM", + "ANJESO", + "CONTACERA", + "COXICAM", + "EMDOCAM", + "FLEXICAM", + "INFLACAM", + "LOXICOM", + "Loxicom", + "MELFAX", + "MELOSUS", + "MELOVEM", + "MELOXICAM", + "MELOXIDOLOR", + "MELOXIDYL", + "MELOXIVET", + "MELOXORAL", + "METACAM", + "MOBIC", + "MOVATEC", + "N-1539", + "N1539", + "QMIIZ ODT", + "RECOCAM", + "REVITACAM", + "RHEUMOCAM", + "UH-AC 62XX", + "UH-AC-62 XX", + "UHAC-62XX", + "VIVLODEX" + ], + "smiles": "Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1", + "atc_code": "M01AC56 | M01AC06" + }, + "CHEMBL1259059_approved": { + "title": "SOFOSBUVIR", + "synonyms": [ + "GS-7977", + "GS7977", + "PSI-7977", + "PSI-7977, GS-7977", + "SOFOSBUVIR", + "Sovaldi" + ], + "smiles": "CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1", + "atc_code": "J05AP08" + }, + "CHEMBL178_approved": { + "title": "DAUNORUBICIN", + "synonyms": [ + "Cerubidine", + "DAUNOMYCIN", + "DAUNORUBICIN", + "DAUNOXOME", + "Daunorubicin", + "Daunoxome", + "EPIRUBICIN HYDROCHLORIDE IMPURITY, DAUNORUBICIN-", + "FI 6339", + "FI-6339", + "NSC-83142", + "RP 13057", + "RP-13057", + "VALRUBICIN IMPURITY, DAUNORUBICIN" + ], + "smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1", + "atc_code": "L01DB02" + }, + "CHEMBL1511_approved": { + "title": "ESTRADIOL VALERATE", + "synonyms": [ + ".BETA.-ESTRADIOL 17-VALERATE", + "CLIMAVAL", + "DELESTROGEN", + "ESTRADIOL 17-VALERATE", + "ESTRADIOL VALERATE", + "Estradiol Valerate", + "FEMTAB", + "NSC-17590", + "OESTRADIOL VALERATE", + "PROGYNON DEPOT", + "PROGYNON-DEPOT-10", + "PROGYNOVA" + ], + "smiles": "CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL661_approved": { + "title": "ALPRAZOLAM", + "synonyms": [ + "ALPRAZOLAM", + "ALPRAZOLAM CIV", + "NIRAVAM", + "NSC-760140", + "U 31,889", + "U-31,889", + "U-31889", + "XANAX", + "XANAX XR" + ], + "smiles": "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2", + "atc_code": "N05BA12" + }, + "CHEMBL1162_approved": { + "title": "NORETHINDRONE", + "synonyms": [ + "ANOVULE", + "AYGESTIN", + "Activella", + "Aygestin", + "CALLUNA VULGARIS", + "CALLUNA VULGARIS WHOLE", + "CAMILA", + "Combipatch", + "ERRIN", + "Femhrt", + "GESTEST", + "HEATHER", + "HEATHER WHOLE", + "INCASSIA", + "JENCYCLA", + "MENZOL", + "MICRONOR", + "MICRONOR HRT", + "NOR-QD", + "NORETHIDRONE", + "NORETHINDRONE", + "NORETHISTERON", + "NORETHISTERONE", + "NORETHISTERONUM", + "NORIDAY", + "NORLUTIN", + "NSC-9564", + "Norethindrone", + "Norlutate", + "PRIMOLUT N", + "SC-4640", + "TRIELLA", + "UTOVLAN" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", + "atc_code": "G03DC02 | G03AC01" + }, + "CHEMBL301265_approved": { + "title": "PRAMIPEXOLE", + "synonyms": [ + "CTC-501", + "MIRAPEXIN", + "NELIPRAX", + "NSC-760426", + "OPRYMEA", + "PIPEXUS", + "PRAMIPEXOLE", + "SUD-919CL2Y", + "SUD919CL2Y", + "U-98528E" + ], + "smiles": "CCCN[C@H]1CCc2nc(N)sc2C1", + "atc_code": "N04BC05" + }, + "CHEMBL233406_approved": { + "title": "SODIUM SULFATE ANHYDROUS", + "synonyms": [ + "ANHYDROUS SODIUM SULFATE", + "E514", + "Glaubers Salt", + "GoLYTELY", + "MIRABILITE", + "NATRII SULFAS ANHYDRICUS", + "NSC-403914", + "SODIUM SULFATE ANHYDROUS", + "SODIUM SULFATE, ANHYDROUS", + "SODIUM SULFATE, DRIED", + "SODIUM SULPHATE ANHYDROUS", + "SODIUM SULPHATE, ANHYDROUS", + "Sodium sulfate" + ], + "smiles": "O=S(=O)([O-])[O-].[Na+].[Na+]", + "atc_code": null + }, + "CHEMBL15870_approved": { + "title": "INDOPROFEN", + "synonyms": [ + "BOR-IND", + "FLOSIN", + "FLOSINT", + "INDOPROFEN", + "ISINDONE", + "K 4277", + "K-4277", + "NSC-757065", + "PRAXIS", + "REUMOFENE" + ], + "smiles": "CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1", + "atc_code": "M01AE10" + }, + "CHEMBL1297_approved": { + "title": "FENOPROFEN", + "synonyms": [ + "53858", + "FENOPROFEN", + "Fenoprofen", + "LILLY-53858", + "NSC-757813", + "Nalfon", + "PROGESIC" + ], + "smiles": "CC(C(=O)O)c1cccc(Oc2ccccc2)c1", + "atc_code": "M01AE04" + }, + "CHEMBL1448_approved": { + "title": "NICLOSAMIDE", + "synonyms": [ + "BAY 2353", + "BAY-2353", + "Ex A Lint", + "Lintex", + "NICLOCIDE", + "NICLOSAMIDE", + "NICLOSAMIDE (ANHYDROUS)", + "NICLOSAMIDE ANHYDROUS", + "NICLOSAMIDE, ANHYDROUS", + "NICLOSAMIDUM ANHYDROUS", + "NSC-178296", + "Nicloside", + "WR 46234", + "YOMESAN" + ], + "smiles": "O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O", + "atc_code": "P02DA01" + }, + "CHEMBL55_approved": { + "title": "PENTAMIDINE", + "synonyms": [ + "GNF-Pf-3680", + "MB 800 FREE BASE", + "MB 800 [AS ISETHIONATE]", + "MB-800", + "MB-800 (AS ISETHIONATE)", + "MB-800 FREE BASE", + "MP-601205", + "NSC-9921", + "PENTACARINAT", + "PENTAM 300", + "PENTAMIDINE", + "PENTAMIDINE ISETIONATE", + "Pentamidine", + "RP 2512 FREE BASE", + "RP 2512 [AS ISETHIONATE)", + "RP-2512", + "RP-2512 FREE BASE" + ], + "smiles": "N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1", + "atc_code": null + }, + "CHEMBL191_approved": { + "title": "LOSARTAN", + "synonyms": [ + "ALLISARTAN", + "ANGIZAAR", + "DUP-89", + "E-3174", + "EXP-3174", + "EXP3174", + "HGP-1405", + "HGP1405", + "LOSARTAN", + "LOSARTAN CARBOXYLIC ACID", + "LOSARTIC", + "LOZAP", + "Losartan", + "NSC-758699" + ], + "smiles": "CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", + "atc_code": "C09CA01" + }, + "CHEMBL3989958_approved": { + "title": "IVOSIDENIB", + "synonyms": [ + "AG-120", + "IVOSIDENIB", + "TIBSOVO" + ], + "smiles": "N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1", + "atc_code": "L01XX62" + }, + "CHEMBL1201251_approved": { + "title": "ARBUTAMINE", + "synonyms": [ + "ARBUTAMINE" + ], + "smiles": "Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1", + "atc_code": "C01CA22" + }, + "CHEMBL4650319_approved": { + "title": "MOBOCERTINIB", + "synonyms": [ + "AP-32788", + "AP32788", + "MOBOCERTINIB", + "TAK-788" + ], + "smiles": "C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", + "atc_code": "L01EB10" + }, + "CHEMBL916_approved": { + "title": "TIROFIBAN", + "synonyms": [ + "AGRASTAT", + "Aggrastat", + "L-700462", + "MK-383", + "TIROFIBAN", + "Tirofiban" + ], + "smiles": "CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O", + "atc_code": "B01AC17" + }, + "CHEMBL129_approved": { + "title": "ZIDOVUDINE", + "synonyms": [ + "3'-AZT", + "AZIDOTHYMIDINE", + "AZT", + "Azidothymidine", + "BW A509U", + "BW-A-509U", + "BW-A509U", + "BWA509U", + "COMPOUND S", + "COMPOUND-S", + "NSC-602670", + "RETROVIR", + "Retrovir", + "ZIDOVUDINE", + "ZIDOVUDINUM" + ], + "smiles": "Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O", + "atc_code": "J05AF01" + }, + "CHEMBL188952_approved": { + "title": "PIRPROFEN", + "synonyms": [ + "PIRPROFEN", + "RACEMIC PIRPROFEN", + "RANGASIL 400", + "RENGASIL", + "SEFLENYL", + "SU 21524", + "SU-21524" + ], + "smiles": "CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1", + "atc_code": "M01AE08" + }, + "CHEMBL1200455_approved": { + "title": "IOHEXOL", + "synonyms": [ + "Exypaque", + "IOHEXOL", + "IOHEXOLUM", + "NSC-759636", + "OMNIPAQUE 12", + "OMNIPAQUE 140", + "OMNIPAQUE 180", + "OMNIPAQUE 210", + "OMNIPAQUE 240", + "OMNIPAQUE 300", + "OMNIPAQUE 350", + "OMNIPAQUE 70", + "OMNIPAQUE 9", + "ORALTAG", + "Omnipaque", + "WIN 39424", + "WIN-39424" + ], + "smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I", + "atc_code": "V08AB02" + }, + "CHEMBL696_approved": { + "title": "ETHOSUXIMIDE", + "synonyms": [ + "CI-366", + "CN-10,395", + "CN-10395", + "EMESIDE", + "ETHOSUXIMIDE", + "ETHOSUXIMIDUM", + "NSC-64013", + "PM-671", + "PYKNOLEPSINUM", + "SUXINUTIN", + "ZARONTIN" + ], + "smiles": "CCC1(C)CC(=O)NC1=O", + "atc_code": "N03AD51 | N03AD01" + }, + "CHEMBL483254_approved": { + "title": "PANOBINOSTAT", + "synonyms": [ + "FARYDAK", + "LBH-589", + "LBH589", + "PANOBINOSTAT", + "PANOBINOSTAT HYDRATE" + ], + "smiles": "Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1", + "atc_code": "L01XH03" + }, + "CHEMBL1908360_approved": { + "title": "EVEROLIMUS", + "synonyms": [ + "40-O-(2-HYDROXYETHYL)-RAPAMYCIN", + "AFINITOR", + "AFINITOR DISPERZ", + "CERTICAN", + "EVEROLIMUS", + "RAD 666", + "RAD-001", + "RAD-666", + "RAD001", + "SDZ RAD", + "SDZ-RAD", + "Votubia", + "ZORTRESS" + ], + "smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", + "atc_code": "L01EG02 | L04AA18" + }, + "CHEMBL2028663_approved": { + "title": "DABRAFENIB", + "synonyms": [ + "DABRAFENIB", + "GSK-2118436", + "GSK-2118436A", + "GSK2118436", + "GSK2118436A", + "TAFINLAR" + ], + "smiles": "CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1", + "atc_code": "L01EC02" + }, + "CHEMBL75435_approved": { + "title": "DEXKETOPROFEN", + "synonyms": [ + "(S)-KETOPROFEN", + "ARVELES", + "DEXKETOPROFEN", + "KERAL", + "KETOPROFEN, (S)-" + ], + "smiles": "C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1", + "atc_code": "M01AE17 | M02AA27" + }, + "CHEMBL27_approved": { + "title": "PROPRANOLOL", + "synonyms": [ + ".BETA.-PROPRANOLOL", + "AY-64043-", + "BETALONG", + "DL-PROPRANOLOL", + "EUPROVASIN", + "Inderal", + "Inderide-40/25", + "Inderide-80/25", + "PROPRANOLOL", + "PROPRASYLYT", + "Propranolol", + "REDUCOR" + ], + "smiles": "CC(C)NCC(O)COc1cccc2ccccc12", + "atc_code": "C07AA05" + }, + "CHEMBL193240_approved": { + "title": "ROFLUMILAST", + "synonyms": [ + "ARQ-151", + "B-9302-107", + "B9302-107", + "BY-217", + "BY217", + "BYK-20869", + "BYK20869", + "DALIRESP", + "Daxas", + "ROFLUMILAST", + "ZORYVE" + ], + "smiles": "O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1", + "atc_code": "R03DX07" + }, + "CHEMBL1200854_approved": { + "title": "FLUPHENAZINE DECANOATE", + "synonyms": [ + "DAPOTUM D", + "DECAZATE", + "FLUPHENAZINE DECANOATE", + "FLUPHENAZINI DECANOAS", + "LYOGEN", + "MODECATE", + "MODECATE CONC", + "MODITEN DEPOT", + "NSC-169510", + "PROLIXIN DECANOATE", + "QD-10733", + "SQ-10733" + ], + "smiles": "CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", + "atc_code": null + }, + "CHEMBL1086863_approved": { + "title": "FLUDEOXYGLUCOSE", + "synonyms": [ + "FLUDEOXYGLUCOSE" + ], + "smiles": "OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O", + "atc_code": null + }, + "CHEMBL1214124_approved": { + "title": "PERAMPANEL", + "synonyms": [ + "E-2007", + "E2007", + "ER-155055-90", + "Fycompa", + "PERAMPANEL" + ], + "smiles": "N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O", + "atc_code": "N03AX22" + }, + "CHEMBL554_approved": { + "title": "LAPATINIB", + "synonyms": [ + "GSK-572016", + "GW-2016", + "GW-572016", + "GW-572016X", + "GW572016", + "LAPATINIB", + "Lapatinib", + "TYVERB" + ], + "smiles": "CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1", + "atc_code": "L01EH01" + }, + "CHEMBL71595_approved": { + "title": "HYDROGEN PEROXIDE", + "synonyms": [ + "A-101", + "CRYSTACIDE", + "ESKATA", + "HIOXYL", + "HYDROGEN PEROXIDE", + "HYDROGEN PEROXIDE SOLUTION", + "HYROGEN PEROXIDE", + "Hydrogen Peroxide", + "NSC-19892", + "OXYDOL", + "PEROXYL" + ], + "smiles": "OO", + "atc_code": "A01AB02 | D11AX25 | D08AX01 | S02AA06" + }, + "CHEMBL1201247_approved": { + "title": "GOSERELIN", + "synonyms": [ + "GOSERELIN", + "GOSERELIN ACETATE", + "ICI 118,630", + "ICI-118630" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O", + "atc_code": "L02AE03" + }, + "CHEMBL284092_approved": { + "title": "GEPIRONE", + "synonyms": [ + "Ariza", + "BMY-13805", + "GEPIRONE", + "ORG-13011", + "Variza" + ], + "smiles": "CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1", + "atc_code": "N06AX19" + }, + "CHEMBL1435_approved": { + "title": "CEFAZOLIN", + "synonyms": [ + "CEFAZOLIN", + "CEPHAZOLIN", + "Cefazolin", + "J01DB04", + "SK&F-41558" + ], + "smiles": "Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1", + "atc_code": "J01DB04" + }, + "CHEMBL285674_approved": { + "title": "ESTAZOLAM", + "synonyms": [ + "ABBOTT-47631", + "ESTAZOLAM", + "ESTAZOLAM CIV", + "Eurodin", + "NSC-290818", + "PROSOM" + ], + "smiles": "Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2", + "atc_code": "N05CD04" + }, + "CHEMBL238804_approved": { + "title": "SELEXIPAG", + "synonyms": [ + "ACT-293987", + "NS-304", + "SELEXIPAG", + "Uptravi" + ], + "smiles": "CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1", + "atc_code": "B01AC27" + }, + "CHEMBL1433_approved": { + "title": "DOXYCYCLINE ANHYDROUS", + "synonyms": [ + "ANHYDROUS DOXYCYCLINE", + "DOXYCYCLINE (ANHYDROUS)" + ], + "smiles": "C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21", + "atc_code": null + }, + "CHEMBL588_approved": { + "title": "FENOLDOPAM", + "synonyms": [ + "CARLACOR", + "FENOLDOPAM", + "Fenoldopam", + "SK&F-82526", + "SK-82526" + ], + "smiles": "Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1", + "atc_code": "C01CA19" + }, + "CHEMBL1200370_approved": { + "title": "BENZOYL PEROXIDE", + "synonyms": [ + "ACETOXYL 2.5", + "ACETOXYL 5", + "ACNECIDE", + "ACNECIDE 10", + "ACNEGEL", + "ACNEGEL FTE", + "ACNIDAZIL", + "ANHYDROUS BENZOYL PEROXIDE", + "BENOXYL 10", + "BENOXYL 20", + "BENOXYL 5", + "BENZAGEL 10", + "BENZAGEL 5", + "BENZAMYCIN", + "BENZOYL PEROXIDE", + "BENZOYL PEROXIDE ANHYDROUS", + "BENZOYL SUPEROXIDE", + "BENZOYLIS PEROXIDUM CUM AQUA", + "BREVOXYL", + "CLEARASIL MAX 10", + "DERMOXYL", + "DRY CLEAR", + "E-928", + "E928", + "EPSOLAY", + "GPPE LOTIO GEL", + "HYDROUS BENZOYL PEROXIDE", + "INS NO.928", + "INS-928", + "MEDICLEAR", + "MEDICLEAR ACNE 10", + "MEDICLEAR ACNE 5", + "NERICUR", + "NSC-671", + "NSC-675", + "OXY-10", + "OXY-10 COVER-UP", + "OXY-5", + "PANOXYL 10", + "PANOXYL 10 ACNEGEL", + "PANOXYL 10 AQUAGEL", + "PANOXYL 2.5 AQUAGEL", + "PANOXYL 5 ACNEGEL", + "PANOXYL 5 AQUAGEL", + "PANOXYL CRM 5", + "PANOXYL LOT 10", + "PANOXYL LOT 5", + "QUINODERM 5", + "QUINOPED", + "THERADERM 10", + "THERADERM 5", + "TOPEX", + "ULTRA CLEARASIL", + "VALDERMA", + "VANAIR" + ], + "smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", + "atc_code": "D10AE01 | D10AE51" + }, + "CHEMBL1908391_approved": { + "title": "MASITINIB", + "synonyms": [ + "AB-1010", + "AB1010", + "Kinavet", + "MASICAN", + "MASITINIB", + "MASIVIERA", + "Masitinib", + "Masivet" + ], + "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1", + "atc_code": "L01EX06" + }, + "CHEMBL535_approved": { + "title": "SUNITINIB", + "synonyms": [ + "NSC-736511", + "NSC-750690", + "SU-011248", + "SU-11248", + "SU011248", + "SUNITINIB", + "SUTENT", + "Sunitinib Accord", + "Sutent" + ], + "smiles": "CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c1C", + "atc_code": "L01EX01" + }, + "CHEMBL8_approved": { + "title": "CIPROFLOXACIN", + "synonyms": [ + "BAY O 9867 FREE BASE", + "BAY Q 3939", + "BAY-O-9867 FREE BASE", + "BAY-Q-3939", + "BAYQ3939", + "CETRAXAL", + "CIPRO", + "CIPROFLOXACIN", + "CIPROFLOXACINUM", + "Ciloxan", + "Ciprobay", + "NSC-758467", + "OTIPRIO", + "Velmonit" + ], + "smiles": "O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O", + "atc_code": "J01MA02 | S03AA07 | S01AE03 | S02AA15" + }, + "CHEMBL170_approved": { + "title": "QUININE", + "synonyms": [ + "(8S,9R)-6'-METHOXYCINCHONAN-9-OL", + "CHININUM PURUM", + "NSC-192949", + "QUININE", + "Quinine", + "REZQUIN", + "WR297608" + ], + "smiles": "C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12", + "atc_code": "M09AA72 | P01BC01" + }, + "CHEMBL1496_approved": { + "title": "ROSUVASTATIN", + "synonyms": [ + "CRESTON", + "ROSUVASTATIN", + "Rosuvastatin", + "X-PLENDED", + "ZD-4522", + "ZD4522" + ], + "smiles": "CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O", + "atc_code": "C10AA07" + }, + "CHEMBL277100_approved": { + "title": "TEMAFLOXACIN", + "synonyms": [ + "Omniflox", + "TEMAFLOXACIN" + ], + "smiles": "CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1", + "atc_code": "J01MA05" + }, + "CHEMBL1200761_approved": { + "title": "CHLOROTRIANISENE", + "synonyms": [ + "CHLOROTRIANISENE", + "CHLORTRIANISESTROL", + "NSC-10108", + "TACE", + "TRIANISESTROL" + ], + "smiles": "COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1", + "atc_code": "G03CA06" + }, + "CHEMBL1463_approved": { + "title": "FLUCYTOSINE", + "synonyms": [ + "ALCOBON", + "ANCOBON", + "ANCOTIL", + "Ancoban", + "FLUCYTOSINE", + "FLUCYTOSINUM", + "Flourocytosine", + "Fluorocytosine", + "NSC-103805", + "RO 2-9915", + "RO-2-9915", + "RO-29915" + ], + "smiles": "Nc1nc(=O)[nH]cc1F", + "atc_code": "J02AX01 | D01AE21" + }, + "CHEMBL817_approved": { + "title": "TOLAZAMIDE", + "synonyms": [ + "NSC-70762", + "TOLAZAMIDE", + "TOLINASE", + "U-17835" + ], + "smiles": "Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1", + "atc_code": "A10BB05" + }, + "CHEMBL1201764_approved": { + "title": "FESOTERODINE", + "synonyms": [ + "FESOTERODINE" + ], + "smiles": "CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1", + "atc_code": "G04BD11" + }, + "CHEMBL964_approved": { + "title": "DISULFIRAM", + "synonyms": [ + "ANTABUSE", + "DISULFIRAM", + "Disulfiram", + "ESPERAL", + "NSC-25953", + "ORA-102", + "ORA102" + ], + "smiles": "CCN(CC)C(=S)SSC(=S)N(CC)CC", + "atc_code": "P03AA04 | P03AA54 | N07BB01" + }, + "CHEMBL1627367_approved": { + "title": "FLUOROESTRADIOL", + "synonyms": [ + "16.ALPHA.-FLUOROESTRADIOL", + "FLUOROESTRADIOL, 16.ALPHA.-", + "fluoroestradiol" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](F)[C@@H]2O", + "atc_code": null + }, + "CHEMBL2364608_approved": { + "title": "DORAVIRINE", + "synonyms": [ + "DORAVIRINE", + "MK-1439", + "MK-1439A", + "Pifeltro" + ], + "smiles": "Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O", + "atc_code": "J05AG06" + }, + "CHEMBL1239_approved": { + "title": "BENZYL BENZOATE", + "synonyms": [ + "ASCABIOL", + "BENZOIC ACID, BENZYL ESTER", + "BENZYL BENZOATE", + "BENZYLIS BENZOAS", + "Benzyl Benzoate", + "FEMA NO. 2138", + "Mange Treatment", + "NSC-8081", + "SCABIOZON", + "Scabanca", + "VENZONATE", + "Vanzoate" + ], + "smiles": "O=C(OCc1ccccc1)c1ccccc1", + "atc_code": "P03AX01" + }, + "CHEMBL240597_approved": { + "title": "CHENODIOL", + "synonyms": [ + "ANTHROPODEOXYCHOLIC ACID", + "ANTHROPODESOXYCHOLIC ACID", + "ANTHROPODODESOXYCHOLIC ACID", + "CHENDOL", + "CHENDOL 125", + "CHENDOL 250", + "CHENIC ACID", + "CHENIX", + "CHENOCEDON", + "CHENOCOL", + "CHENODEOXYCHOLATE", + "CHENODEOXYCHOLIC ACID", + "CHENODESOXYCHOLIC ACID", + "CHENODIOL", + "CHENOFALK", + "CHENOSSIL", + "CHOLANORM", + "COMBIDOL", + "Chenodeoxycholic acid Leadiant (previously known as Chenodeoxycholic acid sigma-tau)", + "FLUIBIL", + "GALLODESOXYCHOLIC ACID", + "LITHOFALK", + "NSC-657949", + "NSC-757798", + "XENBILOX" + ], + "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "A05AA01" + }, + "CHEMBL997_approved": { + "title": "IBANDRONIC ACID", + "synonyms": [ + "BONDENZA", + "BONDRONAT", + "BONVIVA", + "Boniva", + "IASIBON", + "IBANDRONATE", + "IBANDRONIC ACID", + "IBANDRONIC ACID ACCORD", + "IBANDRONIC ACID SANDOZ", + "IBANDRONIC ACID TEVA", + "Ibandronate", + "Ibandronic Acid", + "NSC-722623", + "QUODIXOR" + ], + "smiles": "CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O", + "atc_code": "M05BA06" + }, + "CHEMBL499_approved": { + "title": "TIMOLOL", + "synonyms": [ + "BETIM", + "BETIMOL", + "BLOCADREN", + "Blocadren", + "GLAU-OPT", + "GLAUCOL", + "Istalol", + "NYOGEL", + "TIMOLOL", + "TIMOLOL ANHYDROUS", + "TIMOLOL HEMIHYDRATE", + "TIOPEX", + "Timoptic", + "Timoptic-XE" + ], + "smiles": "CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1", + "atc_code": "C07AA06 | S01ED51 | S01ED01" + }, + "CHEMBL467058_approved": { + "title": "LANINAMIVIR OCTANOATE", + "synonyms": [ + "CS-8958", + "LANINAMIVIR OCTANOATE", + "LANINAMIVIR OCTANOIC ACID ESTER", + "R-118958" + ], + "smiles": "CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O", + "atc_code": null + }, + "CHEMBL1201760_approved": { + "title": "BESIFLOXACIN", + "synonyms": [ + "BESIFLOXACIN", + "ISV-403" + ], + "smiles": "N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1", + "atc_code": "S01AE08" + }, + "CHEMBL1200656_approved": { + "title": "NATAMYCIN", + "synonyms": [ + "ANTIBIOTIC A-5283", + "CL 12,625", + "CL-12625", + "DELVOCID", + "E-235", + "E235", + "INS NO.235", + "INS-235", + "MYCOPHYT", + "MYPROZINE", + "Myprozine", + "NATACYN", + "NATAMYCIN", + "NSC-759167", + "PIMAFUCIN", + "PIMARACIN", + "PIMARICIN", + "Pimaricin", + "SYNOGIL", + "TENNECETIN" + ], + "smiles": "C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O", + "atc_code": "S01AA10 | D01AA02 | A07AA03 | A01AB10 | G01AA02" + }, + "CHEMBL1460_approved": { + "title": "DIDANOSINE", + "synonyms": [ + "(-)-DIDANOSINE", + "BMY-40900", + "DDI", + "DIDANOSINE", + "DIDANOSINE SYSTEM SUITABILITY MIXTURE", + "DIDANOSINUM", + "DIDEOXYINOSINE (DDI)", + "NSC-612049", + "VIDEX", + "VIDEX EC", + "Videx" + ], + "smiles": "O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1", + "atc_code": "J05AF02" + }, + "CHEMBL1488_approved": { + "title": "URACIL MUSTARD", + "synonyms": [ + "NSC-34462", + "U-8344", + "URACIL MUSTARD", + "URAMUSTINE" + ], + "smiles": "Oc1ncc(N(CCCl)CCCl)c(O)n1", + "atc_code": "L01AD08" + }, + "CHEMBL1888176_approved": { + "title": "TROSPIUM", + "synonyms": [ + "TROSPIUM", + "TROSPIUM CATION", + "TROSPIUM ION", + "Trospium" + ], + "smiles": "O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1", + "atc_code": "G04BD09" + }, + "CHEMBL657_approved": { + "title": "DIPHENHYDRAMINE", + "synonyms": [ + "Antitussive", + "Beldin", + "Belix", + "Benadryl", + "Benylin", + "DIPHENHDYRA", + "DIPHENHYDRAMINE", + "Dibenil", + "Diphen", + "Diphenhydramine", + "Hydramine", + "RESTAMIN", + "Silphen" + ], + "smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1", + "atc_code": "D04AA32 | R06AA52 | R06AA02" + }, + "CHEMBL1189432_approved": { + "title": "OLOPATADINE", + "synonyms": [ + "AL-4943A", + "OLOPATADINE", + "OPATANOL" + ], + "smiles": "CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21", + "atc_code": "R01AC08 | S01GX09" + }, + "CHEMBL19236_approved": { + "title": "MOXONIDINE", + "synonyms": [ + "BDF-5896", + "BDF5896", + "BE-5895", + "BE5895", + "FISIOTENS", + "LY-326869", + "LY326869", + "MOXONIDINE", + "NORMATENS", + "PHYSIOTENS" + ], + "smiles": "COc1nc(C)nc(Cl)c1NC1=NCCN1", + "atc_code": "C02AC05" + }, + "CHEMBL968_approved": { + "title": "FLURAZEPAM", + "synonyms": [ + "Dalmane", + "FLURAZEPAM", + "Flurazepam", + "INSUMIN" + ], + "smiles": "CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21", + "atc_code": "N05CD01" + }, + "CHEMBL580_approved": { + "title": "LORAZEPAM", + "synonyms": [ + "ABBLORAZ", + "ATIVAN", + "LORAZ", + "LORAZEPAM", + "LORAZEPAM CIV", + "LORAZEPAM INTENSOL", + "LORAZEPAM PRESERVATIVE FREE", + "LOREEV XR", + "NSC-289758", + "TEMESTA", + "WY-4036" + ], + "smiles": "O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O", + "atc_code": "N05BA56 | N05BA06" + }, + "CHEMBL1544_approved": { + "title": "LIOTHYRONINE", + "synonyms": [ + "3,5,3'-TRIIODOTHYRONINE, L-", + "CYRONINE", + "Cytomel", + "Euthroid-0.5", + "Euthroid-1", + "Euthroid-2", + "Euthroid-3", + "LEVOTHYROXINE SODIUM RELATED COMPOUND LIOTHYRONINE", + "LIOTHYRONINE", + "Liothyronine", + "NSC-80203", + "RATHYRONINE, (S)-", + "Rathyronine", + "Tertroxin", + "Thyrolar-0.25", + "Thyrolar-0.5", + "Thyrolar-1", + "Thyrolar-2", + "Thyrolar-3", + "Thyrolar-5", + "Triiodothyronine (T3 Or Liothyronine, Active) (6-11%)", + "Triostat" + ], + "smiles": "N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O", + "atc_code": null + }, + "CHEMBL1908919_approved": { + "title": "FLORBETAPIR", + "synonyms": [ + "AV-45", + "FLORBETAPIR" + ], + "smiles": "CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1", + "atc_code": null + }, + "CHEMBL1200989_approved": { + "title": "ALCLOMETASONE DIPROPIONATE", + "synonyms": [ + "ACLOVATE", + "ALCLOMETASONE", + "ALCLOMETASONE 17,21-DIPROPIONATE", + "ALCLOMETASONE DIPROPIONATE", + "MODRASONE", + "NSC-758914", + "SCH 22219", + "SCH-22219" + ], + "smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl", + "atc_code": "D07AB10 | S01BA10" + }, + "CHEMBL1945778_approved": { + "title": "IOFLUPANE", + "synonyms": [ + ".BETA.-CIT-FP", + "IOFLUPANE", + "J731.794H", + "NMA-78", + "RTI-313" + ], + "smiles": "COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF", + "atc_code": null + }, + "CHEMBL885_approved": { + "title": "EMTRICITABINE", + "synonyms": [ + "(-)-EMTRICITABINE", + "(-)-FTC", + "524-W-91", + "524W91", + "BIKTARVY", + "BW-524W91", + "COVIRACIL", + "EMTRICITABINE", + "EMTRICITABINE, (-)-", + "EMTRICITABINUM", + "Emtriva", + "FTC", + "FTC-(-)" + ], + "smiles": "Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F", + "atc_code": "J05AF09" + }, + "CHEMBL1138_approved": { + "title": "EZETIMIBE", + "synonyms": [ + "EZETIMIBE", + "EZETROL", + "MK0653", + "NSC-758923", + "SCH-58235", + "SCH58235", + "ZETIA" + ], + "smiles": "O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1", + "atc_code": "C10AX09" + }, + "CHEMBL4303060_approved": { + "title": "MELPHALAN FLUFENAMIDE", + "synonyms": [ + "J 1 (PRODRUG)", + "J-1 (PRODRUG)", + "J1", + "J1 (PRODRUG)", + "MELPHALAN FLUFENAMIDE", + "Melflufen", + "PRODRUG J 1", + "PRODRUG J-1", + "PRODRUG J1" + ], + "smiles": "CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1", + "atc_code": "L01AA10" + }, + "CHEMBL1199080_approved": { + "title": "BRETYLIUM", + "synonyms": [ + "BRETYLIUM CATION", + "BRETYLIUM ION", + "Bretylium" + ], + "smiles": "CC[N+](C)(C)Cc1ccccc1Br", + "atc_code": null + }, + "CHEMBL1200358_approved": { + "title": "SODIUM PHENYLACETATE", + "synonyms": [ + "NSC-3039", + "SODIUM PHENYLACETATE", + "SODIUM PHENYLACETIC ACID" + ], + "smiles": "O=C([O-])Cc1ccccc1.[Na+]", + "atc_code": null + }, + "CHEMBL1200386_approved": { + "title": "PREDNICARBATE", + "synonyms": [ + "DERMATOP", + "DERMATOP E EMOLLIENT", + "HOE 777", + "HOE-777", + "LAS-189961", + "LAS-41003 COMPONENT PREDNICARBATE", + "LAS189961", + "NSC-760042", + "PREDNICARBATE", + "S 77 0777", + "S-77 0777", + "S-77-0777", + "S-770777" + ], + "smiles": "CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "D07AC18" + }, + "CHEMBL700_approved": { + "title": "SULFAPYRIDINE", + "synonyms": [ + "CONCORD 693", + "Coccoclase", + "DAGENAN", + "Eubasin", + "NSC-41791", + "NSC-4753", + "Piridazol", + "SULFAPYRIDINE", + "SULPHAPYRIDINE", + "Sulfanilamidopyridine", + "Sulfapyridine" + ], + "smiles": "Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1", + "atc_code": "J01EB04" + }, + "CHEMBL101_approved": { + "title": "PHENYLBUTAZONE", + "synonyms": [ + "AMBENE", + "ARTRIZIN", + "AZOLID", + "Antadol", + "BIZOLIN", + "BUTACOTE", + "BUTADION", + "BUTADIONA", + "BUTAPIRAZOL", + "BUTATRON", + "BUTAZOLIDIN", + "BUTOZ", + "BUZON", + "Butaject", + "DIPHEBUZOL", + "DIPHENYLBUTAZONE", + "ECOBUTAZONE", + "EQUIPALAZONE", + "EXRHEUDON N", + "Elmedal", + "Equiphar", + "FENIBUTAZONA", + "FENIBUTOL", + "FENYLBUTAZON", + "FLEXAZONE", + "G-13871", + "INTRABUTAZONE", + "INTRAZONE", + "MEPHA-BUTAZON", + "NSC-25134", + "PHEBUZINE", + "PHENYLBUTAZONE", + "PHENYZENE", + "Phenylbutazone", + "Pro-Bute", + "R-3-ZON", + "ROBIZONE-V", + "SHIGRODIN", + "TEVCODYNE", + "UZONE", + "ZOLAPHEN" + ], + "smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", + "atc_code": "M01AA01 | M02AA01" + }, + "CHEMBL1201261_approved": { + "title": "TYROPANOIC ACID", + "synonyms": [ + "TYROPANIC ACID", + "TYROPANOIC ACID", + "Tyropanoate", + "Tyropanoic Acid" + ], + "smiles": "CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I", + "atc_code": "V08AC09" + }, + "CHEMBL1201308_approved": { + "title": "IOFETAMINE", + "synonyms": [ + "Iofetamine" + ], + "smiles": "CC(C)NC(C)Cc1ccc(I)cc1", + "atc_code": null + }, + "CHEMBL3040581_approved": { + "title": "SODIUM GLYCEROPHOSPHATE", + "synonyms": null, + "smiles": "O=P(O)(O)OCC([O-])C[O-].[Na+].[Na+]", + "atc_code": null + }, + "CHEMBL1688852_approved": { + "title": "VALNEMULIN", + "synonyms": [ + "VALNEMULIN", + "Valnemulin" + ], + "smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", + "atc_code": null + }, + "CHEMBL186314_approved": { + "title": "SODIUM CARBONATE", + "synonyms": [ + "ANHYDROUS SODIUM CARBONATE", + "CARBONIC ACID SODIUM SALT (1:2)", + "CARBONIC ACID, DISODIUM SALT", + "DRIED SODIUM CARBONATE", + "E-500(I)", + "E500", + "INS NO.500(I)", + "INS-500(I)", + "NATRUM CARBONICUM", + "NSC-156204", + "SODA ASH", + "SODA-ASH", + "SODIUM CARBONATE", + "SODIUM CARBONATE (ANHYDROUS)", + "SODIUM CARBONATE ANHYDROUS", + "SODIUM CARBONATE, ANHYDROUS", + "SODIUM SALT OF CARBONIC ACID", + "SOLVAY SODA" + ], + "smiles": "O=C([O-])[O-].[Na+].[Na+]", + "atc_code": null + }, + "CHEMBL5095505_approved": { + "title": "AMPHETAMINE/DEXTROAMPHETAMINE", + "synonyms": null, + "smiles": "CC(N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1", + "atc_code": null + }, + "CHEMBL867_approved": { + "title": "IOPANOIC ACID", + "synonyms": [ + "ACIDUM IOPANOICUM", + "BILIJODON", + "CHOLADINE", + "CHOLEVID", + "CISTOBIL", + "COLEPAX", + "COPANOIC", + "IODOPANOIC ACID", + "IOPAGNOST", + "IOPANOATE", + "IOPANOIC ACID", + "Iopanoic Acid", + "JOPAGNOST", + "JOPANOIC ACID", + "NSC-41706", + "TELEPAQUE" + ], + "smiles": "CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O", + "atc_code": "V08AC06" + }, + "CHEMBL1201328_approved": { + "title": "CARPHENAZINE", + "synonyms": [ + "CARFENAZINE", + "CARPHENAZINE" + ], + "smiles": "CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2", + "atc_code": null + }, + "CHEMBL1200802_approved": { + "title": "TALBUTAL", + "synonyms": [ + "LOTUSATE", + "TALBUTAL" + ], + "smiles": "C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O", + "atc_code": "N05CA07" + }, + "CHEMBL1201355_approved": { + "title": "CERULETIDE", + "synonyms": [ + "CAERULEIN", + "CERULEIN", + "CERULETIDE" + ], + "smiles": "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", + "atc_code": "V04CC04" + }, + "CHEMBL1650619_approved": { + "title": "PYRITHIONE", + "synonyms": [ + "NSC-179790", + "OMADINE" + ], + "smiles": "On1ccccc1=S", + "atc_code": null + }, + "CHEMBL1201352_approved": { + "title": "RAPACURONIUM", + "synonyms": [ + "RAPACURONIUM CATION", + "RAPACURONIUM ION", + "Rapacuronium" + ], + "smiles": "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1", + "atc_code": null + }, + "CHEMBL6259_approved": { + "title": "DIFLOXACIN", + "synonyms": [ + "DICURAL", + "DIFLOXACIN", + "PULSAFLOX" + ], + "smiles": "CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1", + "atc_code": null + }, + "CHEMBL1089221_approved": { + "title": "BENDAZAC", + "synonyms": [ + "AF 1934 [LYSINE]", + "BENDAZAC", + "BINDAZAC", + "IWAZAC" + ], + "smiles": "O=C(O)COc1nn(Cc2ccccc2)c2ccccc12", + "atc_code": "M02AA11 | S01BC07" + }, + "CHEMBL1387_approved": { + "title": "NORETHYNODREL", + "synonyms": [ + "ENIDREL", + "NORETHYNODREL", + "NORETYNODREL", + "NSC-15432", + "SC-4642" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C", + "atc_code": null + }, + "CHEMBL1652_approved": { + "title": "AMBENONIUM", + "synonyms": [ + "AMBENONIUM", + "AMBENONIUM CATION", + "AMBENONIUM ION", + "Ambenonium" + ], + "smiles": "CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl", + "atc_code": "N07AA30" + }, + "CHEMBL2178422_approved": { + "title": "RIMEGEPANT", + "synonyms": [ + "BHV-3000", + "BMS-927711", + "RIMEGEPANT", + "Rimegepant" + ], + "smiles": "N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F", + "atc_code": "N02CD06" + }, + "CHEMBL28527_approved": { + "title": "MAVACOXIB", + "synonyms": [ + "MAVACOXIB", + "PHA 739,521", + "PHA-739521", + "TROCOXIL", + "Trocoxil" + ], + "smiles": "NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1", + "atc_code": null + }, + "CHEMBL1201269_approved": { + "title": "CHLORPHENTERMINE", + "synonyms": [ + "CHLORPHENTERMINE", + "Chlorphentermine" + ], + "smiles": "CC(C)(N)Cc1ccc(Cl)cc1", + "atc_code": null + }, + "CHEMBL686_approved": { + "title": "MEFENAMIC ACID", + "synonyms": [ + "CI-473", + "CN-35355", + "CONTRAFLAM", + "DYSMAN-250", + "DYSMAN-500", + "GARDAN", + "INF-3355", + "J2.344B", + "M01AG01", + "MEFENAMATE", + "MEFENAMIC ACID", + "MEFENAMINIC ACID", + "MEFLAM 250", + "MEFLAM 500", + "MENDYS", + "MEPHENAMIC ACID", + "MEPHENAMINIC ACID", + "NSC-94437", + "OPUSTAN 250", + "OPUSTAN 500", + "PONSTAN", + "PONSTAN FTE", + "PONSTEL" + ], + "smiles": "Cc1cccc(Nc2ccccc2C(=O)O)c1C", + "atc_code": "M01AG01" + }, + "CHEMBL3990694_approved": { + "title": "PIPERAZINE CITRATE", + "synonyms": [ + "ANTEPAR", + "BRYREL", + "MULTIFUGE", + "PIPERAZINE CITRATE", + "VERMIDOL" + ], + "smiles": "C1CNCCN1.C1CNCCN1.C1CNCCN1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O", + "atc_code": null + }, + "CHEMBL651_approved": { + "title": "METHADONE", + "synonyms": [ + "Amidone", + "DIAMINON", + "DL-METHADONE", + "DOLOPHIN", + "Dolophine", + "HEPTADONE", + "Heptadon", + "IDS-NM-002", + "METASEDIN", + "METHADONE", + "Methadone", + "Methadose", + "PHENADONE", + "Phy", + "Physeptone", + "Symoron", + "Westadone" + ], + "smiles": "CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1", + "atc_code": "N02AC52 | N07BC02" + }, + "CHEMBL1201772_approved": { + "title": "PRASUGREL", + "synonyms": [ + "EFIENT", + "LY-640315", + "NSC-759625", + "PRASUGREL" + ], + "smiles": "CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2", + "atc_code": "B01AC22" + }, + "CHEMBL1539_approved": { + "title": "SULFADOXINE", + "synonyms": [ + "FANASULF", + "Fanasil", + "J21.373J", + "NSC-759319", + "RO 4-4393", + "RO-4-4393", + "RO-44393", + "SULFADOXIN", + "SULFADOXINE", + "SULFADOXINUM", + "SULPHADOXINE", + "Sulforthamidine", + "Sulphormethoxine", + "WR-4073" + ], + "smiles": "COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC", + "atc_code": null + }, + "CHEMBL1265_approved": { + "title": "ADAPALENE", + "synonyms": [ + "ADAPALENE", + "CD 271", + "CD-271", + "DIFFERIN", + "Differin" + ], + "smiles": "COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2", + "atc_code": "D10AD53 | D10AD03" + }, + "CHEMBL1200607_approved": { + "title": "PERFLEXANE", + "synonyms": [ + "AF-0150", + "AF0150", + "PERFLEXANE", + "PERFLUOROHEXANE" + ], + "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", + "atc_code": null + }, + "CHEMBL1200342_approved": { + "title": "PARAMETHASONE ACETATE", + "synonyms": [ + "DILLAR", + "HALDRONE", + "PARAMETHASONE", + "PARAMETHASONE 21-ACETATE", + "PARAMETHASONE ACETATE" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "H02AB05" + }, + "CHEMBL938_approved": { + "title": "SARALASIN", + "synonyms": [ + "1-SAR-8-ALA-ANGIOTENSIN II", + "SAR-ARG-VAL-TYR-VAL-HIS-PRO-ALA", + "SARALASIN", + "Saralasin" + ], + "smiles": "CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C", + "atc_code": null + }, + "CHEMBL1005_approved": { + "title": "REMIFENTANIL", + "synonyms": [ + "GI 87084X", + "IDS-NR-005", + "RAMIFENTANYL", + "REMIFENTANIL", + "REMIFENTANYL", + "Remifentanil", + "ULTIVA-", + "Ultiva" + ], + "smiles": "CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1", + "atc_code": "N01AH06" + }, + "CHEMBL207538_approved": { + "title": "BREXANOLONE", + "synonyms": [ + "ALLOPREGNAN-3.ALPHA.-OL-20-ONE", + "ALLOPREGNANOLONE", + "ALLOTETRAHYDROPROGESTERONE", + "BREXANOLONE", + "SAGE-547", + "SGE-102", + "ZULRESSO" + ], + "smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "N06AX29" + }, + "CHEMBL1201219_approved": { + "title": "VECURONIUM", + "synonyms": [ + "VECURONIUM", + "VECURONIUM CATION", + "VECURONIUM ION", + "Vecuronium" + ], + "smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1", + "atc_code": "M03AC03" + }, + "CHEMBL204240_approved": { + "title": "IMEPITOIN", + "synonyms": [ + "IMEPITION", + "Pexion" + ], + "smiles": "O=C1N=C(N2CCOCC2)CN1c1ccc(Cl)cc1", + "atc_code": null + }, + "CHEMBL5315057_approved": { + "title": "PYRIPROLE", + "synonyms": [ + "Prac-tic" + ], + "smiles": "N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(NCc2ccccn2)c1SC(F)F", + "atc_code": null + }, + "CHEMBL1200790_approved": { + "title": "METHYPRYLON", + "synonyms": [ + "METHYPRYLON", + "NOLUDAR", + "NSC-30442" + ], + "smiles": "CCC1(CC)C(=O)NCC(C)C1=O", + "atc_code": "N05CE02" + }, + "CHEMBL3137302_approved": { + "title": "SAROLANER", + "synonyms": [ + "PF-6450567", + "SAROLANER", + "SIMPARICA", + "Simparica" + ], + "smiles": "CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(C3=NO[C@@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)ccc12", + "atc_code": null + }, + "CHEMBL1201129_approved": { + "title": "DECITABINE", + "synonyms": [ + "2'-DEOXY-5-AZACYTIDINE", + "DAC", + "DECITABINE", + "Dacogen", + "NSC-127716" + ], + "smiles": "Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1", + "atc_code": "L01BC08" + }, + "CHEMBL1200376_approved": { + "title": "BETAMETHASONE BENZOATE", + "synonyms": [ + "BETAMETHASONE 17-BENZOATE", + "BETAMETHASONE BENZOATE", + "UTICORT", + "W 5975", + "W-5975" + ], + "smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO", + "atc_code": null + }, + "CHEMBL1025_approved": { + "title": "ISOFLUROPHATE", + "synonyms": [ + "DYFLOS", + "FLOROPRYL", + "FLUOSTIGMINE", + "Fluostigmine", + "ISOFLUROPHATE", + "Isoflurophate", + "NSC-727370" + ], + "smiles": "CC(C)OP(=O)(F)OC(C)C", + "atc_code": "S01EB07" + }, + "CHEMBL3643413_approved": { + "title": "LENIOLISIB", + "synonyms": [ + "CDZ-173 FREE BASE", + "CDZ-173-NX", + "CDZ173 FREE BASE", + "CDZ173-NX", + "LENIOLISIB" + ], + "smiles": "CCC(=O)N1CC[C@H](Nc2ncnc3c2CN(c2cnc(OC)c(C(F)(F)F)c2)CC3)C1", + "atc_code": null + }, + "CHEMBL626_approved": { + "title": "NAFTIFINE", + "synonyms": [ + "AW-105-843", + "NAFT-500", + "NAFTIFINE", + "Naftifine" + ], + "smiles": "CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12", + "atc_code": "D01AE22" + }, + "CHEMBL15677_approved": { + "title": "FENCLOFENAC", + "synonyms": [ + "FENCLOFENAC", + "Fenclofenac", + "R 67408", + "R-67408", + "RX 67408", + "RX-67408" + ], + "smiles": "O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl", + "atc_code": null + }, + "CHEMBL496_approved": { + "title": "HEXACHLOROPHENE", + "synonyms": [ + "'GERMA-MEDICA ''MG'''", + "E-Z SCRUB", + "GAMOPHEN", + "GERMA-MEDICA", + "Germa-medica 'mg'", + "HEXA-GERM", + "HEXACHLOROPHENE", + "HEXASCRUB", + "Hexachlorophene", + "PHISO-SCRUB", + "PHISOHEX", + "PRE-OP", + "PRE-OP II", + "SCRUBTEAM SURGICAL SPONGEBRUSH", + "SEPTI-SOFT", + "SEPTISOL", + "SOY-DOME", + "TURGEX" + ], + "smiles": "Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl", + "atc_code": "D08AE01" + }, + "CHEMBL1201233_approved": { + "title": "METHYLDOPATE", + "synonyms": [ + "METHYLDOPATE", + "Methyldopate" + ], + "smiles": "CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1", + "atc_code": null + }, + "CHEMBL1200877_approved": { + "title": "FLUMETHASONE PIVALATE", + "synonyms": [ + "FLUMETASONE PIVALATE", + "FLUMETHASONE 21-PIVALATE", + "FLUMETHASONE PIVALATE", + "LOCORTEN", + "LOCORTEN-VIOFORM", + "NSC-107680" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C", + "atc_code": null + }, + "CHEMBL2021424_approved": { + "title": "POTASSIUM SULFATE", + "synonyms": [ + "ARCANUM DUPLICATUM", + "E-515(I)", + "INS NO.515(I)", + "INS-515(I)", + "KALI SULPHURICUM", + "POT SULF", + "POTASSIUM (AS SULFATE)", + "POTASSIUM SULFATE", + "Potassium sulfate", + "SAL POLYCHRESTUM", + "SULFURIC ACID, DIPOTASSIUM SALT", + "TARTARUS VITRIOLATUS" + ], + "smiles": "O=S(=O)([O-])[O-].[K+].[K+]", + "atc_code": null + }, + "CHEMBL1200614_approved": { + "title": "IOVERSOL", + "synonyms": [ + "IOVERSOL", + "MP 328", + "MP-328", + "OPTIRAY 160", + "OPTIRAY 240", + "OPTIRAY 300", + "OPTIRAY 320", + "OPTIRAY 350" + ], + "smiles": "O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I", + "atc_code": "V08AB07" + }, + "CHEMBL259972_approved": { + "title": "MOFEZOLAC", + "synonyms": [ + "MOFEZOLAC" + ], + "smiles": "COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1", + "atc_code": null + }, + "CHEMBL2107342_approved": { + "title": "GAMITHROMYCIN", + "synonyms": [ + "GAMITHROMYCIN", + "ML-1,709,460", + "ML-1709460", + "ML-460", + "ZACTRAN", + "Zactran" + ], + "smiles": "CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H]1C", + "atc_code": null + }, + "CHEMBL1201317_approved": { + "title": "TRICLOFOS", + "synonyms": [ + "NEGUVON", + "TRI-BETA-CHLOROETHYLPHOSPHATE", + "TRICLOFOS", + "Triclofos" + ], + "smiles": "O=P(O)(O)OCC(Cl)(Cl)Cl", + "atc_code": "N05CM07" + }, + "CHEMBL783_approved": { + "title": "NATEGLINIDE", + "synonyms": [ + "A-4166", + "AY-4166", + "AY4166", + "D-NATEGLINIDE", + "DJN 608", + "DJN-608", + "NATEGLINIDE", + "NSC-758695", + "SDZ DJN 608", + "SDZ-DJN-608", + "SENAGLINIDE", + "Starlix", + "Starsis" + ], + "smiles": "CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1", + "atc_code": "A10BX03" + }, + "CHEMBL1200592_approved": { + "title": "DESOXYCORTICOSTERONE PIVALATE", + "synonyms": [ + "DESOXYCORTICOSTERONE PIVALATE", + "DESOXYCORTICOSTERONE TRIMETHYLACETATE", + "PERCORTEN", + "Zycortal" + ], + "smiles": "CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL1089641_approved": { + "title": "TRYPAN BLUE FREE ACID", + "synonyms": null, + "smiles": "Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O", + "atc_code": null + }, + "CHEMBL1108_approved": { + "title": "DROPERIDOL", + "synonyms": [ + "DROLEPTAN", + "DROPERIDOL", + "Dridol", + "INAPSINE", + "MCN-JR-4749", + "NSC-169874", + "R-4749" + ], + "smiles": "O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1", + "atc_code": "N05AD08" + }, + "CHEMBL706_approved": { + "title": "CETYL ALCOHOL", + "synonyms": [ + "ALCOHOL CETYLICUS", + "C12-16 ALCOHOLS", + "CETANOL", + "CETYL ALCHOL", + "CETYL ALCOHOL", + "Cetyl Alcohol", + "FATTY ALCOHOLS(C12-16)", + "FEMA NO. 2554", + "HEXADECANOL", + "N-1-HEXADECANOL", + "N-HEXADECANOL", + "NSC-4194", + "PALMITIC ALCOHOL" + ], + "smiles": "CCCCCCCCCCCCCCCCO", + "atc_code": null + }, + "CHEMBL325041_approved": { + "title": "BORTEZOMIB", + "synonyms": [ + "BORTEZOMIB", + "BORTEZOMIB ACCORD", + "BORTEZOMIB HYDRATE", + "Bortezomib Accord", + "LDP-341", + "NSC-681239", + "PS-341", + "VELCADE", + "Velcade" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O", + "atc_code": "L01XG01" + }, + "CHEMBL1200661_approved": { + "title": "UNOPROSTONE ISOPROPYL", + "synonyms": [ + "ISOPROPYL UNOPROSTONE", + "RESCULA", + "UF-021", + "UNOPROSTONE ISOPROPYL", + "UNOPROSTONE ISOPROPYL ESTER", + "Unoprostone Isopropyl", + "Unoprostone isopropyl" + ], + "smiles": "CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O", + "atc_code": null + }, + "CHEMBL744_approved": { + "title": "RILUZOLE", + "synonyms": [ + "BHV-0223", + "EXSERVAN", + "NSC-753433", + "NSC-759823", + "RILUTEK", + "RILUZOLE", + "RP 54274", + "RP-54274", + "Riluzole Zentiva", + "TEGLUTIK", + "TIGLUTIK", + "TIGLUTIK KIT" + ], + "smiles": "Nc1nc2ccc(OC(F)(F)F)cc2s1", + "atc_code": "N07XX02" + }, + "CHEMBL1316_approved": { + "title": "CARPROFEN", + "synonyms": [ + "CARPROFEN", + "CARPROFEN FOR VETERINARY USE", + "NSC-297935", + "RIMADYL", + "RO 20-5720/000", + "Ro-20-5720-000" + ], + "smiles": "CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12", + "atc_code": null + }, + "CHEMBL1072_approved": { + "title": "BUMETANIDE", + "synonyms": [ + "BETINEX", + "BUMETANIDE", + "BUMEX", + "BURINEX", + "Lixil", + "RO 10-6338", + "RO-10-6338", + "RO-106338", + "S-95008.", + "S95008." + ], + "smiles": "CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1", + "atc_code": "C03CA02" + }, + "CHEMBL1201207_approved": { + "title": "BETAMETHASONE PHOSPHORIC ACID", + "synonyms": [ + "BETAMETHASONE PHOSPHORIC ACID", + "Betamethasone phosphate" + ], + "smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O", + "atc_code": null + }, + "CHEMBL221959_approved": { + "title": "TOFACITINIB", + "synonyms": [ + "550", + "CP 690550", + "CP- 690 550", + "CP-690", + "CP-690 FREE BASE", + "CP-690,550", + "CP-690,550 FREE BASE", + "CP-690-550", + "CP-690550", + "CP-690550 FREE BASE", + "CP690,550", + "CP690550", + "TOFACITINIB" + ], + "smiles": "C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12", + "atc_code": "L04AA29" + }, + "CHEMBL423_approved": { + "title": "BETAXOLOL", + "synonyms": [ + "ALO-140102 FREE BASE", + "BETAXOLOL", + "BETOPTIC", + "BETOPTIC SUSP", + "Betaxolol", + "Betoptic", + "Kerledex", + "Kerlone", + "SL-7521210 FREE BASE" + ], + "smiles": "CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1", + "atc_code": "S01ED52 | C07AB05 | S01ED02" + }, + "CHEMBL278020_approved": { + "title": "NEOSTIGMINE", + "synonyms": [ + "MIOSTIN", + "NEOSTIGMINE", + "NEOSTIGMINE (CATION)", + "NEOSTIGMINE CATION", + "NEOSTIGMINE HYDROXIDE", + "NEOSTIGMINE ION" + ], + "smiles": "CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1", + "atc_code": "S01EB06 | N07AA01 | N07AA51" + }, + "CHEMBL530_approved": { + "title": "AMDINOCILLIN", + "synonyms": [ + "AMDINOCILLIN", + "COACTIN", + "FL 1060", + "FL-1060", + "MECILLINAM", + "RO 10-9070", + "RO-10-9070", + "SELEXIDIN" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA11" + }, + "CHEMBL848_approved": { + "title": "LENALIDOMIDE", + "synonyms": [ + "CC-5013", + "CDC-501", + "LENALIDOMIDE", + "NSC-747972", + "Revlimid", + "SYP-1512" + ], + "smiles": "Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O", + "atc_code": "L04AX04" + }, + "CHEMBL1456_approved": { + "title": "MYCOPHENOLATE MOFETIL", + "synonyms": [ + "ARZIP", + "CELLCEPT", + "MYCLAUSEN", + "MYCOPHENOLATE MOFETIL", + "MYCOPHENOLIC ACID 2-(4-MORPHOLINYL)ETHYL ESTER", + "MYCOPHENYLATE MOFETIL", + "MYFENAX", + "Myclausen", + "NSC-724229", + "NSC-758905", + "RS-61443" + ], + "smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2", + "atc_code": null + }, + "CHEMBL3989908_approved": { + "title": "ENASIDENIB", + "synonyms": [ + "AG 221", + "AG-221", + "CC-90007 Free Base", + "ENASIDENIB" + ], + "smiles": "CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1", + "atc_code": "L01XX59" + }, + "CHEMBL1762_approved": { + "title": "TOCAINIDE", + "synonyms": [ + "TOCAINIDE", + "Tocainide", + "W-36095" + ], + "smiles": "Cc1cccc(C)c1NC(=O)C(C)N", + "atc_code": "C01BB03" + }, + "CHEMBL923_approved": { + "title": "RISEDRONIC ACID", + "synonyms": [ + "Actonel", + "M05BA07", + "NE-58095", + "RIDRON", + "RISEDRONATE", + "RISEDRONIC ACID", + "Risedronate" + ], + "smiles": "O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O", + "atc_code": "M05BA07" + }, + "CHEMBL354077_approved": { + "title": "AMIFAMPRIDINE", + "synonyms": [ + "3,4-DAP", + "3,4-Diammoniopyridinium", + "4-DAP", + "AMIFAMPRIDINE", + "DAP", + "DYNAMINE", + "NSC-521760", + "Pyridine-3,4-Diamine", + "RUZURGI" + ], + "smiles": "Nc1ccncc1N", + "atc_code": "N07XX05" + }, + "CHEMBL493_approved": { + "title": "BROMOCRIPTINE", + "synonyms": [ + "2-BROMO-.ALPHA.-ERGOCRYPTINE", + "BROMERGOCRYPTINE", + "BROMOCRIPTINE", + "Bromocriptine", + "CB-154", + "ERGOCRYPTINE, 2-BROMO-", + "PARLODEL", + "SANDOZ 15-754" + ], + "smiles": "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12", + "atc_code": "G02CB01 | N04BC01" + }, + "CHEMBL939_approved": { + "title": "GEFITINIB", + "synonyms": [ + "GEFITINIB", + "Iressa", + "NSC-759856", + "ZD-1839", + "ZD1839" + ], + "smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1", + "atc_code": "L01EB01" + }, + "CHEMBL1342_approved": { + "title": "OXYBATE", + "synonyms": [ + ".GAMMA.-HYDROXYBUTYRATE", + "GAMMA HYDROXYBUTYRATE", + "GAMMA-HYDROXYBUTYRATE", + "OXYBATE", + "Oxybate", + "Xyrem" + ], + "smiles": "O=C(O)CCCO", + "atc_code": null + }, + "CHEMBL559_approved": { + "title": "DEXTROTHYROXINE", + "synonyms": [ + "Choloxin", + "D-THYROXINE", + "DEXTROTHYROXINE", + "Dextrothyroxine", + "Liotrix", + "Thyroxine" + ], + "smiles": "N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", + "atc_code": "C10AX01" + }, + "CHEMBL498_approved": { + "title": "CHLORPROPAMIDE", + "synonyms": [ + "CHLORPROPAMIDE", + "Chlorpropamide", + "DIABEMIDE", + "DIABINESE", + "GLUCAMIDE", + "GLYMESE", + "MELITASE", + "NSC-44634", + "NSC-626720" + ], + "smiles": "CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1", + "atc_code": "A10BB02" + }, + "CHEMBL1549_approved": { + "title": "HYDROCORTISONE CYPIONATE", + "synonyms": [ + "CORTEF", + "HYDROCORTISONE CIPIONATE", + "HYDROCORTISONE CYCLOPENTYLPROPIONATE", + "HYDROCORTISONE CYPIONATE", + "Hydrocortisone Cypionate", + "NSC-10721" + ], + "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1", + "atc_code": null + }, + "CHEMBL591665_approved": { + "title": "SODIUM ASCORBATE", + "synonyms": [ + "ASCORBIC ACID SODIUM SALT", + "E-301", + "E301", + "INS NO.301", + "INS-301", + "SODIUM ASCORBATE", + "Sodium Ascorbate" + ], + "smiles": "O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]", + "atc_code": null + }, + "CHEMBL290960_approved": { + "title": "NIFURTIMOX", + "synonyms": [ + "BAY 2502", + "BAY A2502", + "BAY-2502", + "BAY-A2502", + "BAYER 2502", + "BAYER-2502", + "DNDI1613515", + "Lampit", + "NIFURTIMOX", + "NIFURTIMOXUM" + ], + "smiles": "CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1", + "atc_code": "P01CC01" + }, + "CHEMBL363392_approved": { + "title": "MARALIXIBAT", + "synonyms": [ + "LOPIXIBAT", + "LUM-001 CATION", + "LUM001 CATION", + "MARALIXIBAT", + "MARALIXIBAT CATION" + ], + "smiles": "CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O", + "atc_code": null + }, + "CHEMBL1115_approved": { + "title": "PYRIDOSTIGMINE", + "synonyms": [ + "Mestinon", + "PYRIDOSTIGMINE", + "PYRIDOSTIGMINE CATION", + "PYRIDOSTIGMINE ION", + "Pyridostigmine", + "Regonol" + ], + "smiles": "CN(C)C(=O)Oc1ccc[n+](C)c1", + "atc_code": "N07AA02" + }, + "CHEMBL1201218_approved": { + "title": "CEFAMANDOLE NAFATE", + "synonyms": [ + "106223", + "Cefamandole nafate" + ], + "smiles": "Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1", + "atc_code": null + }, + "CHEMBL1201216_approved": { + "title": "DAPIPRAZOLE", + "synonyms": [ + "DAPIPRAZOLE", + "Dapiprazole" + ], + "smiles": "Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1", + "atc_code": "S01EX02" + }, + "CHEMBL175_approved": { + "title": "DEXIBUPROFEN", + "synonyms": [ + "(S)-IBUPROFEN", + "DEXIBUPROFEN", + "IBU-TAB", + "NSC-759814", + "Neoprofen", + "Rufen", + "S-IBUPROFEN", + "SERACTIL" + ], + "smiles": "CC(C)Cc1ccc([C@H](C)C(=O)O)cc1", + "atc_code": "M01AE14" + }, + "CHEMBL1738990_approved": { + "title": "LEVOPROPOXYPHENE", + "synonyms": [ + "(-)-PROPOXYPHENE", + "L-PROPOXYPHENE", + "LEVOPROPOXYPHENE", + "PROPOXYPHENE, (-)-", + "PROPOXYPHENE, L-" + ], + "smiles": "CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C", + "atc_code": null + }, + "CHEMBL1086_approved": { + "title": "DIBUCAINE", + "synonyms": [ + "CINCHOCAINE", + "DIBUCAINE", + "Dibucaine", + "NSC-159055" + ], + "smiles": "CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1", + "atc_code": "S02DA04 | S01HA06 | D04AB02 | N01BB06 | C05AD04" + }, + "CHEMBL1201075_approved": { + "title": "IOXILAN", + "synonyms": [ + "IOXILAN", + "IOXITOL", + "LOXILAN", + "NSC-760056", + "OXILAN-300", + "OXILAN-350" + ], + "smiles": "CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I", + "atc_code": "V08AB12" + }, + "CHEMBL1201325_approved": { + "title": "HEXOCYCLIUM", + "synonyms": [ + "HEXOCYCLIUM", + "HEXOCYCLIUM CATION", + "HEXOCYCLIUM ION", + "Hexocyclium" + ], + "smiles": "C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1", + "atc_code": "A03AB10" + }, + "CHEMBL996_approved": { + "title": "CEFOXITIN", + "synonyms": [ + "CEFOXITIN", + "Cefoxitin", + "Cenomycin", + "J01DC01", + "Mefoxin", + "Mefoxitin" + ], + "smiles": "CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21", + "atc_code": "J01DC01" + }, + "CHEMBL3707313_approved": { + "title": "TRIFAROTENE", + "synonyms": [ + "AKLIEF", + "CD-5789", + "CD5789", + "TRIFAROTENE" + ], + "smiles": "CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1", + "atc_code": "D10AD06" + }, + "CHEMBL515408_approved": { + "title": "MARIBAVIR", + "synonyms": [ + "1263-W-94", + "1263W94", + "BW-1263W94", + "GW-257406X", + "LIVTENCITY", + "Livtencity", + "MARIBAVIR" + ], + "smiles": "CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O", + "atc_code": "J05AX10" + }, + "CHEMBL1096_approved": { + "title": "AMLEXANOX", + "synonyms": [ + "AA-673", + "AMLEXANOX", + "AMOXANOX", + "APHTHASOL", + "APHTHEAL", + "CHX 3673", + "CHX-3673", + "ELICS", + "SOLFA" + ], + "smiles": "CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1", + "atc_code": "A01AD07 | R03DX01" + }, + "CHEMBL38827_approved": { + "title": "LUMEFANTRINE", + "synonyms": [ + "BENFLUMELOL", + "BENFLUMETOL", + "CPG-56695", + "DL-BENFLUMELOL", + "GNF-PF-1971", + "LUMEFANTRINE", + "LUMEFANTRINUM" + ], + "smiles": "CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1", + "atc_code": null + }, + "CHEMBL4594438_approved": { + "title": "LENACAPAVIR", + "synonyms": [ + "GS-6207", + "GS-714207", + "GS-CA-2", + "GS-CA1", + "GS-CA2", + "GS-HIV", + "GS6207", + "LENACAPAVIR" + ], + "smiles": "CC(C)(C#Cc1ccc(-c2ccc(Cl)c3c(NS(C)(=O)=O)nn(CC(F)(F)F)c23)c([C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2C(F)(F)[C@@H]2C[C@H]32)n1)S(C)(=O)=O", + "atc_code": "J05AX31" + }, + "CHEMBL1027_approved": { + "title": "TIAGABINE", + "synonyms": [ + "A-70569-1", + "ABBOTT-70569", + "ABBOTT-70569 FREE BASE", + "ABBOTT-70569-1", + "ABBOTT-705691 FREE BASE", + "ABT-569", + "ABT-569 FREE BASE", + "GABITRIL", + "Gabitril", + "NNC-05-0328", + "NNC-050328 FREE BASE", + "NO-05-0328", + "NO-050328 FREE BASE", + "TIAGABINE", + "Tiagabine" + ], + "smiles": "Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C", + "atc_code": "N03AG06" + }, + "CHEMBL1200384_approved": { + "title": "BETAMETHASONE DIPROPIONATE", + "synonyms": [ + "ALPHATREX", + "BETAMETHASONE (AS DIPROPIONATE)", + "BETAMETHASONE 17,21-DIPROPIONATE", + "BETAMETHASONE DIPROPIONATE", + "DIPROLENE", + "DIPROLENE AF", + "DIPROSONE", + "DIPROSPAN", + "MAXIVATE", + "NSC-758415", + "RINDERON DP", + "SCH 11460", + "SCH-11460", + "SERNIVO" + ], + "smiles": "CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL787_approved": { + "title": "MONTELUKAST", + "synonyms": [ + "BRONDILAT", + "MK-476", + "MONTELUKAST", + "Montelukast", + "SINGULAIR" + ], + "smiles": "CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1", + "atc_code": "R03DC53 | R03DC03" + }, + "CHEMBL2111097_approved": { + "title": "LEVAMLODIPINE", + "synonyms": [ + "AMLODIPINE, (S)-", + "LEVAMLODIPINE", + "S-AMLODIPINE" + ], + "smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl", + "atc_code": "C08CA17" + }, + "CHEMBL24_approved": { + "title": "ATENOLOL", + "synonyms": [ + "ANTIPRESSAN", + "ATENAMIN", + "ATENIX-100", + "ATENIX-25", + "ATENIX-50", + "ATENOLOL", + "ATENOLOLUM", + "BETACARD", + "C07AB03", + "COROTENOL", + "DURAATENOLOL", + "Esatenolol", + "ICI 66,082", + "ICI 66082", + "ICI-66082", + "Ibinolo", + "JUVENTAL", + "KENTOL", + "MYOCORD", + "NOVATEN", + "NSC-757832", + "PRENORMINE", + "TENORMIN", + "TENORMIN 25", + "TENORMIN L.S.", + "TOTAMOL", + "UROSIN", + "Unibloc", + "VASATEN" + ], + "smiles": "CC(C)NCC(O)COc1ccc(CC(N)=O)cc1", + "atc_code": "C07AB03" + }, + "CHEMBL669_approved": { + "title": "CYCLOBENZAPRINE", + "synonyms": [ + "CYCLOBENZAPRINE", + "Cyclobenzaprine", + "Flexeril", + "MK-130 (AS THE BASE)", + "TNX-102" + ], + "smiles": "CN(C)CCC=C1c2ccccc2C=Cc2ccccc21", + "atc_code": "M03BX08" + }, + "CHEMBL1117_approved": { + "title": "IDARUBICIN", + "synonyms": [ + "IDARUBICIN", + "Idamycin", + "Idarubicin" + ], + "smiles": "CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O", + "atc_code": "L01DB06" + }, + "CHEMBL1201746_approved": { + "title": "PRALATREXATE", + "synonyms": [ + "FOLOTYN", + "NSC-754230", + "PDX", + "PRALATREXATE" + ], + "smiles": "C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", + "atc_code": "L01BA05" + }, + "CHEMBL44884_approved": { + "title": "ETHAMBUTOL", + "synonyms": [ + "ETHAMBUTOL" + ], + "smiles": "CC[C@@H](CO)NCCN[C@@H](CC)CO", + "atc_code": "J04AK02" + }, + "CHEMBL1296_approved": { + "title": "CEFOTIAM", + "synonyms": [ + "ASPIL", + "CEFOTIAM", + "Cefotiam", + "Ceradon", + "J01DC07" + ], + "smiles": "CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1", + "atc_code": "J01DC07" + }, + "CHEMBL269732_approved": { + "title": "TACROLIMUS ANHYDROUS", + "synonyms": [ + "ANHYDROUS TACROLIMUS", + "FK-506", + "FR-900506", + "FUJIMYCIN", + "PROGRAPH", + "Prograf", + "Protopic", + "TACRO", + "TACROLIMUS", + "TACROLIMUS ANHYDROUS", + "TACROLIMUS, ANHYDROUS", + "TSUKUBAENOLIDE" + ], + "smiles": "C=CC[C@@H]1/C=C(\\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC", + "atc_code": null + }, + "CHEMBL924_approved": { + "title": "ZOLEDRONIC ACID ANHYDROUS", + "synonyms": [ + "CGP-42446", + "Reclast", + "Zometa" + ], + "smiles": "O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O", + "atc_code": null + }, + "CHEMBL468_approved": { + "title": "THALIDOMIDE", + "synonyms": [ + ".ALPHA.-PHTHALIMIDOGLUTARIMIDE", + "CELGENE", + "CONTERGAN", + "DISTAVAL", + "K-17", + "MYRIN", + "N-PHTHALYLGLUTAMIC ACID IMIDE", + "NEUROSEDYN", + "NSC-527179", + "NSC-66847", + "PANTOSEDIV", + "PHARMION", + "SOFTENON", + "TALIDEX", + "THALED", + "THALIDOMIDE", + "THALIDOMIDE ", + "THALOMID", + "Thalidomide Lipomed" + ], + "smiles": "O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1", + "atc_code": "L04AX02" + }, + "CHEMBL476_approved": { + "title": "DACARBAZINE", + "synonyms": [ + "BIOCARBAZINE R", + "DACARBASINE", + "DACARBAZINE", + "DACARBAZINUM", + "DECARBAZINE", + "DIC", + "DICARBAZINE", + "DTIC", + "DTIC-DOME", + "NCI C04717", + "NSC-45388" + ], + "smiles": "CN(C)/N=N/c1[nH]cnc1C(N)=O", + "atc_code": "L01AX04" + }, + "CHEMBL1213351_approved": { + "title": "PROPOXYPHENE", + "synonyms": [ + "ALGAFAN", + "D-PROPOXYPHENE", + "DEPROMIC", + "DEXTROPROPOXYPHEN", + "DEXTROPROPOXYPHENE", + "J5.928E", + "Levopropoxyphene", + "PROPOXYPHENE, D-", + "Propoxyphene", + "SK-65" + ], + "smiles": "CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C", + "atc_code": "N02AC04" + }, + "CHEMBL428647_approved": { + "title": "PACLITAXEL", + "synonyms": [ + "(-)-PACLITAXEL", + "ABI-007", + "ABI-007 COMPONENT PACLITAXEL", + "ABRAXANE", + "Apealea", + "BMS 181339-01", + "BMS-181339-01", + "CAPXOL", + "CYCLOPAX", + "DHP 107", + "DHP-107", + "EBETAXEL", + "EMPAC", + "ENDOTAG 1", + "GENAXOL", + "GENETAXYL", + "GENEXOL", + "GENEXOL-PM", + "INTAXEL", + "LEP-ETU", + "MBT 0206", + "MBT-0206", + "MITOTAX", + "NK 105", + "NK-105", + "NSC-125973", + "ONCOGEL", + "ONXAL", + "ONXOL", + "PACITAXEL", + "PACLIEX", + "PACLITAXEL", + "PACLITAXEL (TAXUS CANADENSIS)", + "PACLITAXOL", + "PAXENE", + "PLAXICEL", + "QW-8184", + "TAXALBIN", + "TAXOL", + "TAXOL 100", + "TAXOL A", + "TAXUS", + "TAXUS LIBERTE", + "TAXUS STENT", + "TOCOSOL PACLITAXEL", + "YEWTAXAN" + ], + "smiles": "CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O", + "atc_code": "L01CD01" + }, + "CHEMBL583_approved": { + "title": "GREPAFLOXACIN", + "synonyms": [ + "GREPAFLOXACIN", + "Grepafloxacin", + "Raxar" + ], + "smiles": "Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1", + "atc_code": "J01MA11" + }, + "CHEMBL1208642_approved": { + "title": "THIOSULFURIC ACID", + "synonyms": [ + "THIOSULFATE", + "Thiosulfate" + ], + "smiles": "O=S(O)(O)=S", + "atc_code": "V03AB06" + }, + "CHEMBL3039498_approved": { + "title": "GRAPIPRANT", + "synonyms": [ + "423", + "AAT-007", + "CJ 023423", + "CJ-023", + "CJ-023,423", + "CJ-023423", + "GRAPIPRANT", + "Galliprant", + "MR-10A7", + "MR10A7", + "RQ-00000007", + "RQ-7" + ], + "smiles": "CCc1nc2c(C)nc(C)cc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1", + "atc_code": null + }, + "CHEMBL779_approved": { + "title": "TADALAFIL", + "synonyms": [ + "ADCIRCA", + "Adcirca (previously Tadalafil Lilly)", + "CIALIS", + "IC-351", + "IC351", + "LY-450190", + "LY450190", + "NSC-750236", + "NSC-759172", + "TADALAFIL", + "TADALAFIL MYLAN", + "TADLIQ", + "TRANS-TADALAFIL" + ], + "smiles": "CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O", + "atc_code": "G04BE08" + }, + "CHEMBL766_approved": { + "title": "CILASTATIN", + "synonyms": [ + "CILASTATIN", + "Cilastatin", + "Primaxin" + ], + "smiles": "CC1(C)C[C@@H]1C(=O)N/C(=C\\CCCCSC[C@H](N)C(=O)O)C(=O)O", + "atc_code": null + }, + "CHEMBL1200826_approved": { + "title": "LITHIUM CARBONATE", + "synonyms": [ + "CAMCOLIT 250", + "CAMCOLIT 400", + "CARBONIC ACID, DILITHIUM SALT", + "CP-15,467-61", + "CP-15467-61", + "CP-1546761", + "ESKALITH", + "ESKALITH CR", + "LISKONUM", + "LITHANE", + "LITHII CARBONAS", + "LITHIUM CARBONATE", + "LITHIUM CARBONICUM", + "LITHOBID", + "LITHONATE", + "LITHOTABS", + "NSC-16895", + "PHASAL" + ], + "smiles": "O=C([O-])[O-].[Li+].[Li+]", + "atc_code": null + }, + "CHEMBL4535757_approved": { + "title": "SOTORASIB", + "synonyms": [ + "AMG-510", + "AMG510", + "KRAS G12C INHIBITOR 9", + "KRAS MUTANT-TARGETING AMG 510", + "LUMAKRAS", + "Lumykras", + "SOTORASIB" + ], + "smiles": "C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1", + "atc_code": "L01XX73" + }, + "CHEMBL1200737_approved": { + "title": "COLFOSCERIL PALMITATE", + "synonyms": [ + "129-Y-83", + "129Y83", + "COLFOSCERIL", + "COLFOSCERIL PALMITATE", + "DIPALMITOYL GLYCEROPHOSPHOCHOLINE", + "DIPALMITOYL LECITHIN, L-", + "DIPALMITOYLPHOSPHATIDYLCHOLINE", + "DPPC, L-", + "DPPC, R-" + ], + "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC", + "atc_code": "R07AA01" + }, + "CHEMBL761_approved": { + "title": "NAPHAZOLINE", + "synonyms": [ + "NAFAZOLIN", + "NAPHAZOLINE", + "Nafazair", + "Naphazoline" + ], + "smiles": "c1ccc2c(CC3=NCCN3)cccc2c1", + "atc_code": "R01AA08 | S01GA51 | S01GA01 | R01AB02" + }, + "CHEMBL1200848_approved": { + "title": "HYDROXYPROGESTERONE CAPROATE", + "synonyms": [ + "17-OHPC", + "17.ALPHA.-CAPROYLOXY-P4", + "DELALUTIN", + "DEPO-PROLUTON", + "HORMOFORT", + "HYDROXYPROGESTERONE", + "HYDROXYPROGESTERONE CAPROATE", + "HYDROXYPROGESTERONE HEXANOATE", + "HYLUTIN", + "MAKENA", + "MAKENA (AUTOINJECTOR)", + "MAKENA PRESERVATIVE FREE", + "NSC-17592", + "OXIPROGESTERONE CAPROATE", + "PHARLON", + "PRIMOLUT DEPOT", + "PROCYTE DEPO", + "PROGE", + "PROLUTON DEPOT", + "SYNGYNON", + "TERALUTIL" + ], + "smiles": "CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", + "atc_code": "G03DA03" + }, + "CHEMBL9_approved": { + "title": "NORFLOXACIN", + "synonyms": [ + "Baccidal", + "CHIBROXIN", + "MK-366", + "NORFLOXACIN", + "NOROXIN", + "NSC-757250", + "Noroxin", + "Quinabic", + "UTINOR" + ], + "smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21", + "atc_code": "J01MA06 | S01AE02" + }, + "CHEMBL562_approved": { + "title": "GRISEOFULVIN", + "synonyms": [ + "FULCIN", + "FULCIN 125", + "FULCIN 500", + "FULSOVIN", + "FULVICIN P/G", + "FULVICIN P/G 165", + "FULVICIN P/G 330", + "FULVICIN-U/F", + "Fulvicin", + "GRIFULVIN V", + "GRIS-PEG", + "GRISACTIN", + "GRISACTIN ULTRA", + "GRISACTIN V", + "GRISEOFULVIN", + "GRISEOFULVIN MICROSIZE", + "GRISEOFULVIN PERMEABILITY DIAMETER", + "GRISEOFULVIN, ULTRAMICROSIZE", + "GRISEOFULVIN,MICROSIZE", + "GRISEOFULVIN,ULTRAMICROSIZE", + "GRISEOFULVINUM", + "GRISOL AF", + "Grifulvin", + "Griseofulvin", + "Grivate", + "NSC-34533", + "NSC-755822", + "ULTRAGRIS-165", + "ULTRAGRIS-330" + ], + "smiles": "COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O", + "atc_code": "D01AA08 | D01BA01" + }, + "CHEMBL934_approved": { + "title": "METYRAPONE", + "synonyms": [ + "METOPIRON", + "METOPIRONE", + "METYRAPONE", + "NSC-25265" + ], + "smiles": "CC(C)(C(=O)c1cccnc1)c1cccnc1", + "atc_code": "V04CD01" + }, + "CHEMBL48449_approved": { + "title": "CANTHARIDIN", + "synonyms": [ + "CANTARIDINA", + "CANTHARIDES CAMPHOR", + "CANTHARIDIN", + "CANTHARIDINE", + "CANTHARIDINUM", + "NSC-61805", + "YCANTH" + ], + "smiles": "C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1", + "atc_code": null + }, + "CHEMBL1087_approved": { + "title": "MEPIVACAINE", + "synonyms": [ + "1-METHYL-2',6'-PIPECOLOXYLIDIDE", + "2',6'-PIPECOLOXYLIDIDE, 1-METHYL-", + "APF-135", + "CARBOPLYIN DENTAL", + "Carbocaine", + "DL-MEPIVACAINE", + "MEPISV", + "MEPIVACAINE", + "Mepivacaine", + "Polocaine", + "Polocaine-Mpf", + "TEVACAINE" + ], + "smiles": "Cc1cccc(C)c1NC(=O)C1CCCCN1C", + "atc_code": "N01BB03 | N01BB53" + }, + "CHEMBL141_approved": { + "title": "LAMIVUDINE", + "synonyms": [ + "BCH 189, (-)-", + "EPIVIR", + "EPIVIR-HBV", + "Epivir", + "GR 109714X", + "GR-109714X", + "LAMIVUDINE", + "LAMIVUDINE TEVA", + "LAMIVUDINUM", + "Lamivudine Teva", + "NSC-760061", + "VIROLAM", + "ZEFFIX" + ], + "smiles": "Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1", + "atc_code": "J05AF05" + }, + "CHEMBL2336071_approved": { + "title": "SIPONIMOD", + "synonyms": [ + "BAF-312", + "BAF312", + "MAYZENT", + "NVP-BAF312-NX", + "SIPONIMOD", + "Siponimod" + ], + "smiles": "CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1", + "atc_code": "L04AA42" + }, + "CHEMBL820_approved": { + "title": "BUSULFAN", + "synonyms": [ + "BUSULFAN", + "BUSULFANUM", + "BUSULFEX", + "Busilvex", + "Busulfan", + "LEUCOSULFAN", + "MYELOSAN", + "MYELOSANUM", + "MYLERAN", + "NCI-C01592", + "NSC-750", + "SULPHABUTIN" + ], + "smiles": "CS(=O)(=O)OCCCCOS(C)(=O)=O", + "atc_code": "L01AB01" + }, + "CHEMBL614_approved": { + "title": "PYRAZINAMIDE", + "synonyms": [ + ".ALPHA.-PYRAZINAMIDE", + "ALDINAMID", + "ALDINAMIDE", + "D-50", + "EPRAZIN", + "FARMIZINA", + "ISOPAS", + "MK-56", + "NOVAMID", + "NSC-14911", + "PIRAZIMIDA", + "PIRAZINAMID", + "PIRILENE", + "PYRAFAT", + "PYRAMIZADE", + "PYRAZIDE", + "PYRAZINAMIDE", + "PYRAZINAMIDUM", + "PYRAZINE CARBOXYLAMIDE", + "PYRAZINECARBOXAMIDE", + "Pyrazinamide", + "ROZIDE", + "TEBRAZID", + "UNIPYRANAMIDE", + "ZINAMIDE" + ], + "smiles": "NC(=O)c1cnccn1", + "atc_code": "J04AK01" + }, + "CHEMBL3989871_approved": { + "title": "AVACOPAN", + "synonyms": [ + "AVACOPAN", + "CCX-168", + "CCX168", + "Tavneos" + ], + "smiles": "Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F", + "atc_code": "L04AA59" + }, + "CHEMBL1200978_approved": { + "title": "ARSENIC TRIOXIDE", + "synonyms": [ + "ARSENEOUS ANHYDRIDE", + "ARSENEOUS OXIDE", + "ARSENIC OXIDE", + "ARSENIC OXIDE (AS4O6)", + "ARSENIC SESQUIOXIDE", + "ARSENIC TRIOXIDE", + "ARSENICUM ALBUM", + "ARSENOUS OXIDE", + "Arsenic trioxide", + "Arsenic trioxide Mylan", + "DIARSENIC TRIOXIDE", + "NSC-759274", + "NSC-92859", + "TETRAARSENIC HEXAOXIDE", + "TRISENOX", + "WHITE ARSENIC" + ], + "smiles": "O=[As]O[As]=O", + "atc_code": "L01XX27" + }, + "CHEMBL1201170_approved": { + "title": "LITHIUM CITRATE ANHYDROUS", + "synonyms": [ + "CITRIC ACID TRILITHIUM SALT" + ], + "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+]", + "atc_code": null + }, + "CHEMBL3989974_approved": { + "title": "CEFIDEROCOL", + "synonyms": [ + "CEFIDEROCOL", + "GSK2696266", + "S-649266" + ], + "smiles": "CC(C)(O/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O", + "atc_code": "J01DI04" + }, + "CHEMBL1291_approved": { + "title": "METIPRANOLOL", + "synonyms": [ + "BM-01.004", + "BM-01004", + "BM01.004", + "D,L-METIPRANOLOL", + "GLAULINE", + "METIPRANOLOL", + "Metipranolol", + "Optipranolol", + "VUAB-6453", + "VUAB6453", + "VUAB6453 (SPOFA)" + ], + "smiles": "CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C", + "atc_code": "S01ED04 | S01ED54" + }, + "CHEMBL1200468_approved": { + "title": "MALATHION", + "synonyms": [ + "8059HC", + "Cythion", + "DERBAC-M", + "ENT 17,034", + "ENT-17034", + "MALATHION", + "Malathion", + "NSC-6524", + "OVIDE", + "Organoderm", + "PRIODERM", + "QUELLADA-M", + "SULEO-M" + ], + "smiles": "CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC", + "atc_code": "P03AX03" + }, + "CHEMBL298734_approved": { + "title": "LONAFARNIB", + "synonyms": [ + "LONAFARNIB", + "SARASAR", + "SCH 66336", + "SCH-66336", + "SCH66336", + "Zokinvy" + ], + "smiles": "NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1", + "atc_code": "A16AX20" + }, + "CHEMBL605846_approved": { + "title": "OLODATEROL", + "synonyms": [ + "BI 1744", + "OLODATEROL", + "STRIVERDI RESPIMAT" + ], + "smiles": "COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1", + "atc_code": "R03AC19" + }, + "CHEMBL1094636_approved": { + "title": "NIRAPARIB", + "synonyms": [ + "JNJ-64091742", + "MK-4827", + "MK4827", + "NIRAPARIB", + "ZEJULA", + "ZL-2306" + ], + "smiles": "NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12", + "atc_code": "L01XK02" + }, + "CHEMBL677_approved": { + "title": "LEVONORDEFRIN", + "synonyms": [ + "(-)-COBEFRIN", + "BA 2818", + "BA-2818", + "CORBADRINE", + "L-.ALPHA.-METHYLNORADRENALINE", + "L-NORDEFRIN", + "L-NOREPHEDRINE, 3,4-DIHYDROXY-", + "LEVONORDEFRIN", + "Levonordefrin", + "NORDEFRIN (-)-FORM", + "NORDEFRIN, L-", + "NSC-757084", + "Neo-Cobefrin", + "Nordefrin" + ], + "smiles": "C[C@H](N)[C@H](O)c1ccc(O)c(O)c1", + "atc_code": null + }, + "CHEMBL1218_approved": { + "title": "RAMELTEON", + "synonyms": [ + "RAMELTEON", + "ROZEREM", + "TAK-375", + "TAK375" + ], + "smiles": "CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3", + "atc_code": "N05CH02" + }, + "CHEMBL1487_approved": { + "title": "ATORVASTATIN", + "synonyms": [ + "ATORVASTATIN", + "Atorvastatin", + "CARDYL", + "LIPITOR", + "PREVENCOR", + "SORTIS", + "TAHOR", + "ZARATOR" + ], + "smiles": "CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O", + "atc_code": "C10AA05" + }, + "CHEMBL1483_approved": { + "title": "ALBENDAZOLE", + "synonyms": [ + "ALBENDAZOLE", + "ALBENDAZOLUM", + "ALBENZA", + "ANDAZOL", + "ESKAZOLE", + "NSC-220008", + "SK&F 62979", + "SK&F-62979", + "Valbazen", + "ZENTEL", + "Zental" + ], + "smiles": "CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1", + "atc_code": "P02CA03" + }, + "CHEMBL2364612_approved": { + "title": "LATANOPROSTENE BUNOD", + "synonyms": [ + "BOL-303259-X", + "LATANOPROSTENE BUNOD", + "Latanoprostene bunod", + "NCX 116", + "NCX-116", + "NCX116", + "PF-3187207", + "VYZULTA", + "Vesneo" + ], + "smiles": "O=C(CCC/C=C\\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)OCCCCO[N+](=O)[O-]", + "atc_code": "S01EE06" + }, + "CHEMBL655_approved": { + "title": "MIDAZOLAM", + "synonyms": [ + "MIDAZOLAM", + "MIDAZOLAM CIV", + "MIDAZOLAM IN 0.8% SODIUM CHLORIDE", + "MIDAZOLAM IN 0.9% SODIUM CHLORIDE", + "Midazolam", + "NAYZILAM", + "USL-261", + "USL261" + ], + "smiles": "Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2", + "atc_code": "N05CD08" + }, + "CHEMBL137_approved": { + "title": "METRONIDAZOLE", + "synonyms": [ + "ACEA", + "ANABACT", + "BAY-5360", + "BAYER 5360", + "BAYER-5360", + "DEFLAMON", + "DRAZIFON", + "ELYZOL", + "FLAGYL", + "FLAGYL COMPAK", + "FLAGYL ER", + "FLAGYL-400", + "FLAGYL-S", + "Flagyl 375", + "Flagyl i.v. rtu in plastic container", + "GINEFLAVIR", + "METRO I.V.", + "METROCREAM", + "METROGEL", + "METROGEL-VAGINAL", + "METROLOTION", + "METROLYL", + "METROMIDOL", + "METRONIDAZOLE", + "METROSA", + "METROTOP", + "Metric 21", + "NEUTRATOP", + "NORITATE", + "NORZOL", + "NSC-50364", + "NSC-69587", + "NUVESSA", + "ORVAGIL", + "PROTOSTAT", + "ROSICED", + "ROZEX", + "RP 8823", + "RP-8823", + "SATRIC", + "VAGINYL", + "VANDAZOLE", + "ZADSTAT", + "ZIDOVAL", + "ZYOMET" + ], + "smiles": "Cc1ncc([N+](=O)[O-])n1CCO", + "atc_code": "D06BX01 | P01AB51 | G01AF01 | A01AB17 | P01AB01 | J01XD01" + }, + "CHEMBL416_approved": { + "title": "METHOXSALEN", + "synonyms": [ + "8-METHOXSALEN", + "8-METHOXYPSORALEN", + "8-MOP", + "DELTASORALEN", + "MELADININE", + "METHOXSALEN", + "METOXALEN", + "Methoxsalen", + "NSC-45923", + "OXSORALEN", + "OXSORALEN-ULTRA", + "OXYPSORALEN", + "PUVALEN", + "PUVASORALEN-8", + "SM-88 COMPONENT METHOXSALEN", + "UVADEX", + "VITPSO", + "XANTHOTOXIN" + ], + "smiles": "COc1c2occc2cc2ccc(=O)oc12", + "atc_code": "D05BA02 | D05AD02" + }, + "CHEMBL473417_approved": { + "title": "VISMODEGIB", + "synonyms": [ + "Erivedge", + "GDC-0449", + "NSC-747691", + "NSC-755986", + "VISMODEGIB" + ], + "smiles": "CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1", + "atc_code": "L01XJ01" + }, + "CHEMBL2105669_approved": { + "title": "TEDIZOLID PHOSPHATE", + "synonyms": [ + "Sivextro", + "TEDIZOLID PHOSPHATE", + "TR-701 FA", + "TR-701-FA", + "TR-701FA" + ], + "smiles": "Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1", + "atc_code": null + }, + "CHEMBL680_approved": { + "title": "CEFACLOR ANHYDROUS", + "synonyms": [ + "Cefaclor hydrate" + ], + "smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1", + "atc_code": null + }, + "CHEMBL1024_approved": { + "title": "IFOSFAMIDE", + "synonyms": [ + "IFEX", + "IFOSFAMIDE", + "ISOCYCLOPHOSPHAMIDE", + "ISOPHOSPHAMIDE", + "Ifsofamide", + "MITOXANA", + "MJF 9325", + "MJF-9325", + "NSC-109724", + "Z-4942", + "Z4942" + ], + "smiles": "O=P1(NCCCl)OCCCN1CCCl", + "atc_code": "L01AA06" + }, + "CHEMBL3358920_approved": { + "title": "ETRASIMOD", + "synonyms": [ + "APD-334", + "APD-334(FREE ACID)", + "APD334", + "ETRASIMOD" + ], + "smiles": "O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21", + "atc_code": null + }, + "CHEMBL218650_approved": { + "title": "DELAMANID", + "synonyms": [ + "DELAMANID", + "Deltyba", + "OPC 67683", + "OPC-67683", + "OPC67683" + ], + "smiles": "C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1", + "atc_code": "J04AK06" + }, + "CHEMBL1800159_approved": { + "title": "RELUGOLIX", + "synonyms": [ + "Orgovyx", + "RELUGOLIX", + "Relugolix", + "TAK-385" + ], + "smiles": "CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1", + "atc_code": "L02BX04" + }, + "CHEMBL1098659_approved": { + "title": "WATER", + "synonyms": [ + "ADELHEID AQUA", + "ADELHEIDSQUELLE", + "AQUA ADELHEID", + "AQUA PRO INJECTIONE", + "AQUA PURIFICATA", + "AQUA STERILISATA PRO INJECTIONE", + "AQUA WIESBADEN", + "AQUA WILDBAD", + "B1217", + "NSC-147337", + "PUR-WASH", + "PURIFIED WATER", + "R-718", + "STERILE PURIFIED WATER", + "STERILE WATER", + "STERILE WATER FOR INHALATION", + "STERILE WATER FOR INJECTION", + "STERILE WATER FOR INJECTIONS", + "ULTREX II ULTRAPURE", + "WATER", + "WATER FOR HEMODIALYSIS", + "WATER FOR INHALATION, STERILE", + "WATER FOR INJECTION", + "WATER FOR INJECTIONS", + "WATER FOR IRRIGATION,STERILE", + "WATER PURIFIED", + "WATER, DEIONIZED", + "WATER, PURIFIED", + "WATER, PURIFIED STERILE", + "WATER, STERILE PURIFIED", + "WATER,BACTERIOSTATIC", + "WATER,BACTERIOSTATIC INJECTION", + "WATER,DEIONIZED", + "WATER,DISTILLED", + "WATER,PURIFIED", + "WATER,SANITIZED", + "WATER,STERILE", + "WIESBADEN", + "WIESBADEN AQUA", + "WILDBAD AQUA" + ], + "smiles": "O", + "atc_code": null + }, + "CHEMBL11_approved": { + "title": "IMIPRAMINE", + "synonyms": [ + "ANTIDEPRIN", + "BERKOMINE", + "CRISTALIA", + "IMIPRAMINE", + "Imipramine", + "Janimine", + "MELIPRAMINE", + "NSC-169866", + "ORG-2463", + "Pramine", + "Presamine", + "SERMONIL", + "TRIMIPRAMINE MALEATE IMPURITY, IMIPRAMINE-", + "Tofranil", + "Tofranil-PM" + ], + "smiles": "CN(C)CCCN1c2ccccc2CCc2ccccc21", + "atc_code": "N06AA02" + }, + "CHEMBL476960_approved": { + "title": "VOGLIBOSE", + "synonyms": [ + "A-71100", + "AO-128", + "VOGLIBOSE" + ], + "smiles": "OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O", + "atc_code": "A10BF03" + }, + "CHEMBL3948730_approved": { + "title": "UMBRALISIB", + "synonyms": [ + "RP-5264", + "RP5264", + "TGR 1202", + "TGR-1202 FREE BASE", + "TGR-1202 base", + "UMBRALISIB" + ], + "smiles": "CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F", + "atc_code": "L01EX25" + }, + "CHEMBL601719_approved": { + "title": "CRIZOTINIB", + "synonyms": [ + "CRIZOTINIB", + "NSC-756645", + "PF-02341066", + "PF-2341066", + "Xalkori" + ], + "smiles": "C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl", + "atc_code": "L01ED01" + }, + "CHEMBL979_approved": { + "title": "MEPROBAMATE", + "synonyms": [ + "AMOSENE", + "BAMATE", + "EQUANIL", + "MEPRIAM", + "MEPROBAMATE", + "MEPROBAMATE CIV", + "MEPROSPAN", + "MILTOWN", + "Meprobamate", + "NEURAMATE", + "NSC-30418", + "TENAVOID", + "TRANMEP" + ], + "smiles": "CCCC(C)(COC(N)=O)COC(N)=O", + "atc_code": "N05BC01 | N05BC51 | N05CX01" + }, + "CHEMBL469_approved": { + "title": "KETOROLAC", + "synonyms": [ + "KETOROLAC", + "Ketorolac" + ], + "smiles": "O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O", + "atc_code": "S01BC05 | M01AB15" + }, + "CHEMBL259209_approved": { + "title": "MILNACIPRAN", + "synonyms": [ + "IMPULSOR", + "MIDALCIPRAN", + "MILNACIPRAN" + ], + "smiles": "CCN(CC)C(=O)C1(c2ccccc2)CC1CN", + "atc_code": "N06AX17" + }, + "CHEMBL834_approved": { + "title": "PAMIDRONIC ACID", + "synonyms": [ + "CGP-23339AE", + "PAMIDRONATE", + "PAMIDRONIC ACID", + "Pamidronate", + "Pamidronic Acid", + "RIBODROAT" + ], + "smiles": "NCCC(O)(P(=O)(O)O)P(=O)(O)O", + "atc_code": "M05BA03" + }, + "CHEMBL1382_approved": { + "title": "TOLTERODINE", + "synonyms": [ + "BLERONE XL", + "DETRUSITOL", + "DETRUSITOL XL", + "EFFLOSOMYL XL", + "INCONEX XL", + "KABI 2234", + "KABI-2234", + "MARIOSEA XL", + "NEDITOL XL", + "PREBLACON XL", + "SANTIZOR XL", + "TOLTERODINE", + "Tolterodine" + ], + "smiles": "Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1", + "atc_code": "G04BD07" + }, + "CHEMBL105_approved": { + "title": "MITOMYCIN", + "synonyms": [ + "AMETYCINE", + "JELMYTO", + "MITOCIN-C", + "MITOMYCIN", + "MITOMYCIN C", + "MITOMYCIN-C", + "MITOSOL", + "MITOZYTREX", + "MUAMYCIN", + "MUTAMYCIN", + "Mytozytrex", + "NSC-26980", + "UGN-101", + "UGN-102" + ], + "smiles": "CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12", + "atc_code": "L01DC03" + }, + "CHEMBL87493_approved": { + "title": "FENFLURAMINE", + "synonyms": [ + "ACINO", + "BRABAFEN", + "FENFLURAMIN", + "FENFLURAMINE", + "J5.760F", + "OBEDREX", + "PESOS", + "PHENFLURAMINE", + "PONDERAX PA", + "ROTONDIN", + "S-768", + "Z-008", + "Z008", + "ZX-008", + "ZX008" + ], + "smiles": "CCNC(C)Cc1cccc(C(F)(F)F)c1", + "atc_code": "N03AX26 | A08AA02" + }, + "CHEMBL414357_approved": { + "title": "EXENATIDE", + "synonyms": [ + "AC 2993", + "AC-002993", + "AC-2993", + "AC-2993A", + "AC-2993LAR", + "AC002993", + "AC2993", + "AC2993A", + "BYDUREON BCISE", + "BYDUREON PEN", + "BYETTA", + "Bydureon", + "DA-3091", + "EXENATIDE", + "EXENDIN 4", + "EXENDIN-4", + "Exenatide Synthetic", + "Exenatide synthetic", + "ITCA-650", + "LY-2148568", + "LY2148568" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O", + "atc_code": "A10BJ01" + }, + "CHEMBL1201353_approved": { + "title": "DEXCHLORPHENIRAMINE", + "synonyms": [ + "CHLORPHENAMINE, (S)-", + "CHLORPHENIRAMINE D-FORM", + "CHLORPHENIRAMINE, (S)-", + "CHLORPHENIRAMINE, D-", + "DAPRITON", + "DEXCHLORPHENIRAMINE" + ], + "smiles": "CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1", + "atc_code": "R06AB02 | R06AB52" + }, + "CHEMBL24828_approved": { + "title": "VANDETANIB", + "synonyms": [ + "Caprelsa", + "GNF-PF-2188", + "NSC-744325", + "NSC-760766", + "VANDETANIB", + "ZD-64", + "ZD-6474", + "ZD6474", + "Zactima" + ], + "smiles": "COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1", + "atc_code": "L01EX04" + }, + "CHEMBL652_approved": { + "title": "FLECAINIDE", + "synonyms": [ + "FLECAINIDE", + "Flecainide", + "NSC-719273", + "THN-102 COMPONENT FLECAINIDE" + ], + "smiles": "O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F", + "atc_code": "C01BC04" + }, + "CHEMBL1200937_approved": { + "title": "DALFOPRISTIN", + "synonyms": [ + "DALFOPRISTIN", + "RP 54476", + "RP-54476" + ], + "smiles": "CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12", + "atc_code": null + }, + "CHEMBL1471_approved": { + "title": "APREPITANT", + "synonyms": [ + "APREPITANT", + "CINVANTI", + "Emend", + "L-754,030", + "MK-0869", + "MK-869", + "NSC-748825" + ], + "smiles": "C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", + "atc_code": "A04AD12" + }, + "CHEMBL2111107_approved": { + "title": "SUGAMMADEX", + "synonyms": [ + "SUGAMMADEX" + ], + "smiles": "O=C(O)CCSC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)C(O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CSCCC(=O)O)O[C@@H]8CSCCC(=O)O)O[C@@H]7CSCCC(=O)O)O[C@@H]6CSCCC(=O)O)O[C@@H]5CSCCC(=O)O)O[C@@H]4CSCCC(=O)O)O[C@@H]3CSCCC(=O)O", + "atc_code": "V03AB35" + }, + "CHEMBL1651906_approved": { + "title": "STREPTOZOCIN", + "synonyms": [ + "NSC-37917", + "NSC-85998", + "STREPTOZOCIN", + "STREPTOZOTOCIN", + "STZ", + "U-9889", + "ZANOSAR" + ], + "smiles": "CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O", + "atc_code": "L01AD04" + }, + "CHEMBL1628502_approved": { + "title": "GABAPENTIN ENACARBIL", + "synonyms": [ + "ASP-8825", + "ASP8825", + "GABAPENTIN ENACARBIL", + "GABAPENTIN ENCARBIL", + "GSK-1838262", + "GSK1838262", + "HORIZANT", + "XP 13512", + "XP-13512", + "XP13512" + ], + "smiles": "CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C", + "atc_code": null + }, + "CHEMBL37161_approved": { + "title": "FENBENDAZOLE", + "synonyms": [ + "FENBENDAZOLE", + "FENBENDAZOLE FOR VETERINARY USE", + "HOE 881V", + "HOE 881Y", + "HOE-881V", + "HOE-881Y", + "NSC-757824", + "PANACUR AQUASOL", + "Panacur AquaSol" + ], + "smiles": "COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1", + "atc_code": "P02CA06" + }, + "CHEMBL1464_approved": { + "title": "WARFARIN", + "synonyms": [ + "NSC-59813", + "WARFARIN", + "Warfarin" + ], + "smiles": "CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O", + "atc_code": "B01AA03" + }, + "CHEMBL544_approved": { + "title": "MEQUINOL", + "synonyms": [ + "4-HYDROXYANISOLE", + "4-METHOXYPHENOL", + "4HA", + "BMS-181158", + "HQMME; HYDROXYQUINONE METHYL ETHER", + "LEUCOBASAL", + "LEUCODINE B", + "MECHINOLUM", + "MENTHYL ANTHRANILATE", + "MEQUINOL", + "NOVO-DERMOQUINONA", + "NSC-4960", + "P-GUAIACOL", + "P-HYDROXYANISOLE" + ], + "smiles": "COc1ccc(O)cc1", + "atc_code": "D11AX06" + }, + "CHEMBL1301_approved": { + "title": "HYDROXYSTILBAMIDINE", + "synonyms": [ + "HYDROXYSTILBAMIDINE", + "Hydroxystilbamidine" + ], + "smiles": "N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1", + "atc_code": null + }, + "CHEMBL1201321_approved": { + "title": "DIFENOXIN", + "synonyms": [ + "ACSCN-9168", + "DIFENOXIN", + "DIPHENOXYLATE RELATED COMPOUND A", + "DIPHENOXYLIC ACID", + "IDS-ND-007", + "LYSPAFEN", + "MCN-JR 15403-11", + "MCN-JR-15,403-11", + "R 15,403 [AS HYDROCHLORIDE]", + "R-15403" + ], + "smiles": "N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1", + "atc_code": "A07DA04" + }, + "CHEMBL1201208_approved": { + "title": "PHENMETRAZINE", + "synonyms": [ + "PHENMETRAZINE", + "Phenmetrazine", + "Preludin", + "TRANS-PHENMETRAZINE" + ], + "smiles": "CC1NCCOC1c1ccccc1", + "atc_code": null + }, + "CHEMBL1195_approved": { + "title": "PROPOXYCAINE", + "synonyms": [ + "PROPOXYCAINE", + "Propoxycaine" + ], + "smiles": "CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC", + "atc_code": null + }, + "CHEMBL1200971_approved": { + "title": "CEPHALOGLYCIN", + "synonyms": [ + "39435", + "CEFALOGLYCIN", + "CEFALOGLYCIN DIHYDRATE", + "CEPHALOGLYCIN", + "CEPHALOGLYCIN ANHYDROUS", + "CEPHALOGLYCIN DIHYDRATE", + "KAFOCIN", + "KEFOCIN" + ], + "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", + "atc_code": null + }, + "CHEMBL1201038_approved": { + "title": "ACRISORCIN", + "synonyms": [ + "ACRISORCIN", + "AKRINOL", + "NSC-758691", + "SCH 7056", + "SCH-7056" + ], + "smiles": "CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12", + "atc_code": null + }, + "CHEMBL1200910_approved": { + "title": "SULFISOXAZOLE ACETYL", + "synonyms": [ + "ACETYL SULFAFURAZOLE", + "ACETYL SULFISOXAZOLE", + "ACETYLSULFAFURAZOLE", + "ACETYLSULFISOXAZOLE", + "GANTRISIN", + "GANTRISIN PEDIATRIC", + "LIPO GANTRISIN", + "NSC-759138", + "SULFAFURAZOLE ACETYL", + "SULFISOXAZOLE ACETYL", + "SULFISOXIZOLE ACETYL" + ], + "smiles": "CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1", + "atc_code": null + }, + "CHEMBL2103834_approved": { + "title": "TYLVALOSIN", + "synonyms": [ + "AIVLOSIN", + "TYLOSIN ACETATE ISOVALERATE", + "TYLOSIN ACETATE ISOVALERTE", + "TYLVALOSIN", + "TYLVALOSIN (EMA EPAR: VETERINARY)" + ], + "smiles": "CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC", + "atc_code": null + }, + "CHEMBL1506_approved": { + "title": "CHLORAMPHENICOL PALMITATE", + "synonyms": [ + "CHLORAMBON", + "CHLORAMPHENICOL PALMITATE", + "CHLORAMPHENICOLI PALMITAS", + "CHLOROMYCETIN PALMITATE", + "CLOROLIFARINA", + "Chloramphenicol Palmitate", + "Chlorolifarina", + "Chloropal", + "DETREOPAL", + "NSC-756675" + ], + "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1", + "atc_code": null + }, + "CHEMBL360055_approved": { + "title": "GALLAMINE", + "synonyms": [ + "GALLAMINE", + "Gallamine" + ], + "smiles": "CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC", + "atc_code": "M03AC02" + }, + "CHEMBL1201210_approved": { + "title": "PROPIOMAZINE", + "synonyms": [ + "CB 1678", + "CB-1678", + "Dorevan", + "Dorevane", + "Indorm", + "Largon", + "PROPIOMAZINE", + "Propavan", + "WY-1359" + ], + "smiles": "CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2", + "atc_code": "N05CM06" + }, + "CHEMBL1652611_approved": { + "title": "PIRLIMYCIN", + "synonyms": [ + "PIRLIMYCIN", + "PIRSUE", + "Pirlimycin" + ], + "smiles": "CC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)C1", + "atc_code": null + }, + "CHEMBL2103874_approved": { + "title": "OCLACITINIB", + "synonyms": [ + "JAK-I", + "JAKI", + "OCLACITINIB", + "PF 03394197", + "PF-03394197" + ], + "smiles": "CNS(=O)(=O)C[C@H]1CC[C@H](N(C)c2[nH]cnc3nccc2-3)CC1", + "atc_code": null + }, + "CHEMBL185073_approved": { + "title": "PANCURONIUM", + "synonyms": [ + "PANCURONIUM", + "Pancuronium", + "Pavulon" + ], + "smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1", + "atc_code": "M03AC01" + }, + "CHEMBL1121_approved": { + "title": "SINCALIDE", + "synonyms": [ + "CCK C-TERMINAL OCTAPEPTIDE", + "CCK-8", + "CHOLECYSTOKININ C-TERMINAL OCTAPEPTIDE", + "Cholecystokinin", + "KINEVAC", + "Pancreozymin (Cholecystokinin)", + "SINCALIDE", + "SQ 19844", + "SQ-19844" + ], + "smiles": "CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", + "atc_code": "V04CC03" + }, + "CHEMBL2111099_approved": { + "title": "MAROPITANT", + "synonyms": [ + "MAROPITANT", + "Prevomax" + ], + "smiles": "COc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1", + "atc_code": null + }, + "CHEMBL1197_approved": { + "title": "HEXYLCAINE", + "synonyms": [ + "Cyclaine", + "HEXYLCAINE", + "Hexylcaine", + "OSMOCAINE" + ], + "smiles": "CC(CNC1CCCCC1)OC(=O)c1ccccc1", + "atc_code": null + }, + "CHEMBL1200542_approved": { + "title": "DESOXYCORTICOSTERONE ACETATE", + "synonyms": [ + "11-DEOXYCORTICOSTERONE", + "11-DEOXYCORTICOSTERONE ACETATE", + "21-HYDROXYPROGESTERONE", + "DEOXYCORTICOSTERONE", + "DEOXYCORTICOSTERONE ACETATE", + "DEOXYCORTONE", + "DESOXYCORTICOSTERONE", + "DESOXYCORTICOSTERONE ACETATE", + "DESOXYCORTONE", + "DESOXYCORTONE ACETATE", + "DOCA", + "NSC-11319", + "NSC-9567", + "PERCORTEN" + ], + "smiles": "CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "H02AA03" + }, + "CHEMBL1371_approved": { + "title": "CHLORZOXAZONE", + "synonyms": [ + "CHLORZOXAZONE", + "Chlorzoxazone", + "NSC-26189", + "PARAFLEX", + "PARAFON FORTE DSC", + "Parafon Forte", + "Parafon-Forte", + "STRIFON FORTE DSC" + ], + "smiles": "O=c1[nH]c2cc(Cl)ccc2o1", + "atc_code": "M03BB53 | M03BB03 | M03BB73" + }, + "CHEMBL1200946_approved": { + "title": "NANDROLONE DECANOATE", + "synonyms": [ + "DECA-DURABOLIN", + "NANDROLONE DECANOATE", + "NANDROLONE DECANOATE CIII" + ], + "smiles": "CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL107_approved": { + "title": "COLCHICINE", + "synonyms": [ + "(-)-COLCHICINE", + "COLCHCINE", + "COLCHICINE", + "COLCHICINUM", + "COLCHINEOS", + "COLCHISOL", + "COLCRYS", + "Colchicine", + "GLOPERBA", + "LODOCO", + "MITIGARE", + "NSC-757" + ], + "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2", + "atc_code": "M04AC01" + }, + "CHEMBL1328_approved": { + "title": "PENTAGASTRIN", + "synonyms": [ + "AY-6608", + "ICI 50,123", + "ICI-50123", + "NSC-367746", + "PENTAGASTRIN", + "PEPTAVLON" + ], + "smiles": "CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", + "atc_code": "V04CG04" + }, + "CHEMBL1208422_approved": { + "title": "ROSE BENGAL FREE ACID", + "synonyms": [ + "NSC-10463", + "ROSE BENGAL", + "ROSE BENGAL FREE ACID" + ], + "smiles": "O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12", + "atc_code": null + }, + "CHEMBL1201274_approved": { + "title": "LEVOBETAXOLOL", + "synonyms": [ + "BETAXOLOL, (S)-", + "LEVOBETAXOLOL" + ], + "smiles": "CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1", + "atc_code": null + }, + "CHEMBL2103867_approved": { + "title": "PLECANATIDE", + "synonyms": [ + "GUANILIB", + "PLECANATIDE", + "SP-304", + "SP-304 (SYNERGY)", + "TRULANCE" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O", + "atc_code": "A06AX07" + }, + "CHEMBL1303_approved": { + "title": "ROTIGOTINE", + "synonyms": [ + "LEGANTO", + "Leganto", + "NEUPRO", + "ROTIGOTINE", + "SPM 962", + "SPM-962" + ], + "smiles": "CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1", + "atc_code": "N04BC09" + }, + "CHEMBL1796998_approved": { + "title": "SULFUR HEXAFLUORIDE", + "synonyms": [ + "BRI", + "SULFUR HEXAFLUORIDE", + "SULFUR HEXAFLUORIDE, PHOSPHOLIPID MICROSPHERES", + "SonoVue" + ], + "smiles": "FS(F)(F)(F)(F)F", + "atc_code": "V08DA05" + }, + "CHEMBL119_approved": { + "title": "TRIMETREXATE", + "synonyms": [ + "CI-898", + "NSC-249008", + "Neutrexin", + "TRIMETREXATE", + "Trimetrexate" + ], + "smiles": "COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC", + "atc_code": "P01AX07" + }, + "CHEMBL780_approved": { + "title": "PENTETIC ACID", + "synonyms": [ + "DTP-A", + "DTPA", + "NSC-7340", + "PENTETIC ACID", + "Pentetate" + ], + "smiles": "O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O", + "atc_code": null + }, + "CHEMBL1311_approved": { + "title": "ISOSORBIDE MONONITRATE", + "synonyms": [ + "1,1-DIUREIDISOBUTANE", + "AHR-4698", + "ANGEZE 10", + "ANGEZE 20", + "ANGEZE 40", + "ANGEZE SR 40", + "ANGEZE SR 60", + "ANGITATE", + "ASTRODUR MR", + "BM 22.145", + "BM 22.145IS 5-MNAHR-4698", + "BM-22-145", + "BM-22.145", + "BM-22145", + "CARMIL XL", + "CHEMYDUR 60 XL", + "CIBRAL 10", + "CIBRAL 20", + "CIBRAL 40", + "CIBRAL XL 60", + "CORANGIN", + "DILUTED ISOSORBIDE MONONITRATE", + "DYNAMIN", + "DYNAMIN XL 25", + "DYNAMIN XL 50", + "ELANTAN 10", + "ELANTAN 20", + "ELANTAN 40", + "ELANTAN LA 25", + "ELANTAN LA 50", + "EUMON 40 XL", + "EUMON 60 XL", + "IMDUR", + "IMO LA", + "IS 5-MN", + "IS-5-MN", + "IS-5MN", + "ISIB 20", + "ISIB 40", + "ISIB 50 XL", + "ISIB 60 XL", + "ISMO", + "ISMO 10", + "ISMO 20", + "ISMO 40", + "ISMO RET", + "ISO-5-MONONITRATE", + "ISOBUTYLDIUREA", + "ISOBUTYLENEDIUREA", + "ISODUR", + "ISODUR 25 XL", + "ISODUR 50 XL", + "ISOSORBIDE 5-MONONITRATE", + "ISOSORBIDE 5-NITRATE", + "ISOSORBIDE DINITRATE ISOSORBIDE-5-MONONITRATE", + "ISOSORBIDE MONONITRATE", + "ISOSORBIDE-5-MONONITRATE", + "ISOTARD 25 XL", + "ISOTARD 40 XL", + "ISOTARD 50 XL", + "ISOTARD 60 XL", + "ISOTRATE", + "KETANODUR", + "MCR 50", + "MODISAL 40 XL", + "MODISAL 60 XL", + "MODISAL LA 25", + "MODISAL LA 50", + "MONIGEN XL 60", + "MONIT", + "MONIT LS", + "MONIT SR", + "MONIT XL 60", + "MONO-CEDOCARD 10", + "MONO-CEDOCARD 20", + "MONO-CEDOCARD 40", + "MONOCORD", + "MONODUR", + "MONOKET", + "MONOMAX SR 40", + "MONOMAX SR 60", + "MONOMAX XL", + "MONOMIL XL", + "MONOSORB XL 60", + "NSC-758619", + "PERTIL RET", + "PHASONIT LA 50", + "RELOSORB XL", + "SLOMON XL 60", + "TARDISC XL", + "TENKOSORB", + "TRANGINA XL", + "VASOTRATE 60 SR", + "XISMOX XL 60", + "ZEMON 40 XL", + "ZEMON 60 XL", + "ZIOTAN XL" + ], + "smiles": "O=[N+]([O-])O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O", + "atc_code": "C01DA14" + }, + "CHEMBL3183409_approved": { + "title": "APALUTAMIDE", + "synonyms": [ + "APALUTAMIDE", + "ARN-509", + "Erleada", + "JNJ-56021927" + ], + "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F", + "atc_code": "L02BB05" + }, + "CHEMBL849_approved": { + "title": "TRICLOSAN", + "synonyms": [ + "AQUASEPT", + "CH 3565", + "CH-3565", + "CLOXIFENOL", + "DNDI1246774", + "GAMOPHEN", + "INNOXA", + "MANUSEPT", + "NSC-759151", + "SKINSAN", + "TEGUSEPT", + "TRICLOSAN" + ], + "smiles": "Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl", + "atc_code": "D08AE04 | D09AA06" + }, + "CHEMBL416956_approved": { + "title": "MEFLOQUINE", + "synonyms": [ + "GNF-Pf-5544", + "Lariam", + "MEFLOQUINE", + "Mefaquin", + "Mefloquine", + "NSC-758233", + "RO 21-5998", + "RO-215998", + "WR 142,490" + ], + "smiles": "OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1", + "atc_code": "P01BC02" + }, + "CHEMBL781_approved": { + "title": "MAZINDOL", + "synonyms": [ + "42-548", + "AN-448", + "MAGRILON", + "MAZANOR", + "MAZILDENE", + "MAZINDOL", + "MAZINDOL CIV", + "SAH-42548", + "SANOREX", + "TERENAC", + "TERONAC" + ], + "smiles": "OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21", + "atc_code": "A08AA05" + }, + "CHEMBL17860_approved": { + "title": "LOFEXIDINE", + "synonyms": [ + "LOFEXIDINE" + ], + "smiles": "CC(Oc1c(Cl)cccc1Cl)C1=NCCN1", + "atc_code": "N07BC04" + }, + "CHEMBL1085_approved": { + "title": "ACETOPHENAZINE", + "synonyms": [ + "ACETOPHENAZINE", + "Acetophenazine", + "Tindal" + ], + "smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2", + "atc_code": "N05AB07" + }, + "CHEMBL776_approved": { + "title": "METAPROTERENOL", + "synonyms": [ + "Metaproterenol", + "ORCIPRENALINE" + ], + "smiles": "CC(C)NCC(O)c1cc(O)cc(O)c1", + "atc_code": "R03AB03 | R03CB03" + }, + "CHEMBL1200666_approved": { + "title": "CALCIPOTRIENE", + "synonyms": [ + "CALCIPOTRIENE", + "CALCIPOTRIENE MONOHYDRATE", + "CALCIPOTRIOL", + "CALCIPOTRIOL ANHYDROUS", + "CALCIPOTRIOL HYDRATE", + "CALCIPOTRIOL MONOHYDRATE", + "CALCIPTRIOL", + "Calcipotriene hydrate", + "DOVOBET", + "DOVONEX", + "ENSTILAR", + "MC 903", + "MC-903", + "PRI-2201", + "SORILUX", + "XAMIOL" + ], + "smiles": "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O", + "atc_code": "D05AX02 | D05AX52" + }, + "CHEMBL86_approved": { + "title": "METOCLOPRAMIDE", + "synonyms": [ + "Clopra", + "Clopra-'Yellow'", + "ELIETEN", + "METHOXYCLOPRAMIDE", + "METOCLOPRAMIDE", + "Maxolon", + "Metoclopramide", + "Reglan", + "TERPERAN" + ], + "smiles": "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC", + "atc_code": "A03FA01" + }, + "CHEMBL4594214_approved": { + "title": "ZICONOTIDE", + "synonyms": [ + ".OMEGA.-CONOTOXIN M VIIA", + "SNX-111", + "ZICONOTIDE" + ], + "smiles": "CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC3=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O", + "atc_code": "N02BG08" + }, + "CHEMBL2105762_approved": { + "title": "OMARIGLIPTIN", + "synonyms": [ + "MK-3102", + "OMARIGLIPTIN" + ], + "smiles": "CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2", + "atc_code": null + }, + "CHEMBL452_approved": { + "title": "CLONAZEPAM", + "synonyms": [ + "CLONAZEPAM", + "CLONAZEPAM CIV", + "KLONOPIN", + "KLONOPIN RAPIDLY DISINTEGRATING", + "NSC-179913", + "RAVOTRIL", + "RIVATRIL", + "RIVOTRIL", + "RO 5-4023", + "RO-5-4023", + "RO-54023" + ], + "smiles": "O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1", + "atc_code": "N03AE01" + }, + "CHEMBL1200688_approved": { + "title": "ERYTHROMYCIN ETHYLSUCCINATE", + "synonyms": [ + "ARPIMYCIN", + "E-MYCIN E", + "E.E.S.", + "E.E.S. 200", + "E.E.S. 400", + "ERYMIN", + "ERYPED", + "ERYTHRODEN", + "ERYTHROMYCIN ETHYL SUCCINATE", + "ERYTHROMYCIN ETHYLSUCCINATE", + "ERYTHROPED", + "ERYTHROPED A", + "ERYTHROPED FTE", + "ERYTHROPED FTE SF", + "ERYTHROPED PI", + "ERYTHROPED PI SF", + "ERYTHROPED SF", + "NSC-756758", + "PEDIAMYCIN", + "PEDIAMYCIN 400", + "PRIMACINE", + "ROMMIX 125", + "STERILE ERYTHROMYCIN ETHYLSUCCINATE", + "WYAMYCIN E" + ], + "smiles": "CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", + "atc_code": null + }, + "CHEMBL1004_approved": { + "title": "DOXYLAMINE", + "synonyms": [ + "DOXYLAMINE", + "Decapryn", + "Doxy-Sleep-Aid", + "Doxylamine", + "Unisom" + ], + "smiles": "CN(C)CCOC(C)(c1ccccc1)c1ccccn1", + "atc_code": "R06AA59 | R06AA09" + }, + "CHEMBL4101807_approved": { + "title": "VOXELOTOR", + "synonyms": [ + "GBT-440", + "GBT440", + "GTX-011", + "Oxbryta", + "VOXELOTOR" + ], + "smiles": "CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O", + "atc_code": "B06AX03" + }, + "CHEMBL514_approved": { + "title": "LOMUSTINE", + "synonyms": [ + "CCN-U", + "CCNU", + "CEENU", + "GLEOSTINE", + "LOMUSTINE", + "NSC-79037" + ], + "smiles": "O=NN(CCCl)C(=O)NC1CCCCC1", + "atc_code": "L01AD02" + }, + "CHEMBL768_approved": { + "title": "ESMOLOL", + "synonyms": [ + "ASL-8052-001", + "ESMOLOL", + "Esmolol" + ], + "smiles": "COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1", + "atc_code": "C07AB09" + }, + "CHEMBL446_approved": { + "title": "SULFAMETHAZINE", + "synonyms": [ + "BN-2409", + "NSC-67457", + "NSC-683529", + "SMZ-MED 454", + "SULFADIMERAZINE", + "SULFADIMETHYLPYRIMIDINE", + "SULFADIMIDINE", + "SULFADIMIDINUM", + "SULFAMETHAZINE", + "SULFAMEZATHINE", + "SULFAMEZATHINE ('S-MEZ')", + "SULFAMIDINE", + "Sulfamethazine" + ], + "smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1", + "atc_code": "J01EB03" + }, + "CHEMBL2367706_approved": { + "title": "SUCRALFATE", + "synonyms": [ + "Antepsin", + "Carafate", + "SUCRALFATE", + "Sucralfate", + "Ulcerlmin" + ], + "smiles": "O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O", + "atc_code": null + }, + "CHEMBL376897_approved": { + "title": "METHSCOPOLAMINE", + "synonyms": [ + "(-)-N-METHYLSCOPOLAMINE", + "METHSCOPOLAMINE CATION", + "METHSCOPOLAMINE ION", + "METHYLSCOPOLAMINE", + "Methylscopolamine", + "N-METHYLHYOSCINE", + "N-METHYLSCOPOLAMINE" + ], + "smiles": "C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12", + "atc_code": "A03BB03 | S01FA03" + }, + "CHEMBL1617_approved": { + "title": "RIFAXIMIN", + "synonyms": [ + "L-105", + "NORMIX", + "NSC-758957", + "RIFAMYCIN L 105", + "RIFAXIDIN", + "RIFAXIMIN", + "Rifacol", + "TARGAXAN", + "XIFAXAN", + "XIFAXANTA", + "XIFAXSAN" + ], + "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", + "atc_code": "D06AX11 | A07AA11" + }, + "CHEMBL606_approved": { + "title": "MISOPROSTOL", + "synonyms": [ + "CYTOTEC", + "MISOPROSTOL", + "MYSODELLE", + "SC-29333", + "TOPOGYNE" + ], + "smiles": "CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC", + "atc_code": "G02AD06 | A02BB01" + }, + "CHEMBL249837_approved": { + "title": "METHACYCLINE", + "synonyms": [ + "GS-2876", + "METACYCLINE", + "METHACYCLINE", + "MOTC" + ], + "smiles": "C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12", + "atc_code": "J01AA05" + }, + "CHEMBL521606_approved": { + "title": "NADOLOL", + "synonyms": [ + "CORGARD", + "NADOLOL", + "NSC-758430", + "SOLGOL", + "SQ 11725", + "SQ-11725" + ], + "smiles": "CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2", + "atc_code": "C07AA12" + }, + "CHEMBL93_approved": { + "title": "ZILEUTON", + "synonyms": [ + "A-64077", + "ABBOTT-64077", + "NSC-730712", + "NSC-759277", + "ZILEUTON", + "ZYFLO", + "ZYFLO CR" + ], + "smiles": "CC(c1cc2ccccc2s1)N(O)C(N)=O", + "atc_code": null + }, + "CHEMBL83_approved": { + "title": "TAMOXIFEN", + "synonyms": [ + "ICI-46474", + "ICI-47699", + "MAMMATON", + "NOVALDEX", + "NSC-727681", + "Nolvadex", + "Soltamox", + "TAMOPLEX", + "TAMOXIFEN", + "Tamoxifen" + ], + "smiles": "CC/C(=C(\\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1", + "atc_code": "L02BA01" + }, + "CHEMBL3655081_approved": { + "title": "ABROCITINIB", + "synonyms": [ + "ABROCITINIB", + "CIBINQO", + "Cibinqo", + "PF-04965842" + ], + "smiles": "CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1", + "atc_code": "D11AH08" + }, + "CHEMBL1200374_approved": { + "title": "EXEMESTANE", + "synonyms": [ + "AROMASIN", + "EXEMESTANE", + "FCE-24304", + "FCE24304", + "NSC-758907", + "PNU-155971" + ], + "smiles": "C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12", + "atc_code": "L02BG06" + }, + "CHEMBL2010601_approved": { + "title": "IVACAFTOR", + "synonyms": [ + "IVACAFTOR", + "Kalydeco", + "VX-770" + ], + "smiles": "CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O", + "atc_code": "R07AX02" + }, + "CHEMBL1741_approved": { + "title": "CLARITHROMYCIN", + "synonyms": [ + "6-O-METHYLERYTHROMYCIN", + "A-56268", + "ABBOTT-56268", + "BIAXIN", + "BIAXIN XL", + "Biaxin", + "Biaxin XL Pac", + "CLARIE XL", + "CLARITHROMYCIN", + "CLARITHROMYCIN IDENTITY", + "CLAROSIP", + "CYLLIND", + "Clarithromycin extended release", + "ERYTHROMYCIN, 6-O-METHYL-", + "FEBZIN XL", + "KLACID", + "KLARICID", + "KLARICID 500", + "KLARICID ADULT", + "KLARICID I.V.", + "KLARICID PAED", + "KLARICID XL", + "MACLADIN", + "MAVID", + "MYCIFOR XL", + "NSC-758704", + "Prevpac", + "TE-031", + "VECLAM", + "XETININ XL", + "ZECLAR" + ], + "smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", + "atc_code": "J01FA09" + }, + "CHEMBL3137320_approved": { + "title": "TALAZOPARIB", + "synonyms": [ + "BMN 673", + "BMN-673", + "LT-673", + "TALAZOPARIB" + ], + "smiles": "Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1", + "atc_code": "L01XK04" + }, + "CHEMBL1109_approved": { + "title": "SULFAPHENAZOLE", + "synonyms": [ + "NSC-757859", + "ORISULF", + "SULFABID", + "SULFAFENAZOL", + "SULFAPHENAZOLE", + "SULPHAPHENAZOLE", + "Sulfafenazol", + "Sulfaphenazole" + ], + "smiles": "Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1", + "atc_code": "J01ED08 | S01AB05" + }, + "CHEMBL110_approved": { + "title": "BENZNIDAZOLE", + "synonyms": [ + "BENZNIDAZOLE", + "BENZNIDAZOLUM", + "BENZONIDAZOL", + "NSC-299972", + "RADANIL", + "RO 07-1051", + "RO-07-1051", + "RO-7-1051", + "ROCHAGAN" + ], + "smiles": "O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1", + "atc_code": "P01CA02" + }, + "CHEMBL354541_approved": { + "title": "LOMITAPIDE", + "synonyms": [ + "AEGR-733", + "BMS-201038", + "BMS-201038-01", + "LOJUXTA", + "LOMITAPIDE" + ], + "smiles": "O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1", + "atc_code": "C10AX12" + }, + "CHEMBL130_approved": { + "title": "CHLORAMPHENICOL", + "synonyms": [ + "9-HYDROXY-9-PHENYLXANTHENE", + "9-PHENYL-9H-XANTHEN-9-OL", + "AMPHICOL", + "BROCHLOR", + "BROLENE ANTIBIOTIC", + "CHLORAMPHENICOL", + "CHLOROFAIR", + "CHLOROMYCETIN", + "CHLOROPTIC", + "CHLOROPTIC S.O.P.", + "Chloramex", + "Chloramphenicol", + "Chlorbiotic", + "ECONOCHLOR", + "GOLDEN EYE ANTIBIOTIC", + "KEMICETINE", + "KLORAFECT", + "Kernispray", + "MYCHEL", + "Mychel-S", + "NSC-16331", + "NSC-3069", + "OPHTHOCHLOR", + "OPTOMYCIN", + "SNO PHENICOL", + "TUBILUX INFECTED EYES", + "Tevcocin", + "XANTHEN-9-OL, 9-PHENYL-" + ], + "smiles": "O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl", + "atc_code": "S01AA01 | S03AA08 | D06AX02 | G01AA05 | S02AA01 | D10AF03 | J01BA01" + }, + "CHEMBL1237119_approved": { + "title": "TREPROSTINIL", + "synonyms": [ + "15-AU-81", + "15AU81", + "L-606", + "LRX -15", + "LRX-15", + "REMODULIN", + "RUMODOLIN", + "TREPROSTINIL", + "TYVASO", + "TYVASO DPI", + "UNIPROST", + "UT-15" + ], + "smiles": "CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O", + "atc_code": "B01AC21" + }, + "CHEMBL2219425_approved": { + "title": "ARIPIPRAZOLE LAUROXIL", + "synonyms": [ + "ALKS 9072", + "ALKS-9070", + "ALKS-9072", + "ARIPIPRAZOLE LAUROXIL", + "ARISTADA", + "ARISTADA INITIO", + "ARISTADA INITIO KIT", + "RDC-3317", + "RDC3317" + ], + "smiles": "CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21", + "atc_code": null + }, + "CHEMBL1536_approved": { + "title": "ERGOCALCIFEROL", + "synonyms": [ + "CALCIFEROL", + "CALCIFEROL IN ARACH OIL", + "CALTRATE", + "Calciferol", + "D-FORTE", + "DELTALIN", + "DRISDOL", + "ECIFEROL D2", + "ERGO-D2", + "ERGOCALCIFEROL", + "ERGOCALCIFEROLUM", + "ERGORAL D2", + "ERGORONE", + "Ergocalciferol", + "LANES", + "NSC-62792", + "OLEOVITAMIN D, SYNTHETIC", + "OSTELIN", + "OSTO-D2", + "Oleovitamin D", + "STEROGYL", + "STEROGYL 15H", + "STEROGYL-15", + "UVESTEROL D", + "VIOSTEROL", + "VIOSTEROL IN OIL", + "VITAMIN D", + "VITAMIN D (ERGOCALCIFEROL)", + "VITAMIN D2", + "Vitamin D 2" + ], + "smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12", + "atc_code": "A11CC01" + }, + "CHEMBL1395_approved": { + "title": "METHYLTESTOSTERONE", + "synonyms": [ + "17-METHYLTESTOSTERONE", + "ANDROID 10", + "ANDROID 25", + "ANDROID 5", + "CDB-110", + "L 589.372", + "L-589.372", + "L-589372", + "METANDREN", + "METHYLTESTOSTERONE", + "METHYLTESTOSTERONE CIII", + "Methitest", + "Methyltestosterone", + "NSC-139965", + "NSC-9701", + "ORETON", + "ORETON METHYL", + "OXANDROLONE IMPURITY, METHYLTESTOSTERONE-", + "PERANDREN", + "PLEX HORMONE", + "POTENSAN FTE", + "RU 24400", + "RU-24400", + "TESTOVIS", + "TESTRED", + "U-2842", + "VIRILON" + ], + "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", + "atc_code": "G03BA02 | G03EK01" + }, + "CHEMBL1465_approved": { + "title": "PHENPROCOUMON", + "synonyms": [ + "BS-7565", + "FENCUMAR", + "LIQUAMAR", + "MARCOUMAR", + "MARCUMAR", + "PHENPROCOUMAROL", + "PHENPROCOUMAROLE", + "PHENPROCOUMON", + "PHENPROCUMONE", + "RO-1-4849" + ], + "smiles": "CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O", + "atc_code": "B01AA04" + }, + "CHEMBL112_approved": { + "title": "ACETAMINOPHEN", + "synonyms": [ + "ABDINE", + "ACEPHEN", + "ACETAMINOPHEN", + "ALVEDON", + "ANGIERS", + "APAP", + "Acetaminophen", + "BIOCETAMOL", + "CALPOL", + "CALPOL SIX PLUS", + "CALPOL SIX PLUS FASTMELTS", + "CHILD LEMSIP", + "CUPANOL", + "DAFALGAN", + "DISPROL", + "DISPROL INFANT", + "DISPROL JNR", + "DISPROL PAED", + "DOLIPRANE", + "Datril", + "EFFERALGAN", + "FENNINGS", + "GALPAMOL", + "HEDEX", + "INFADROPS", + "INFANTS' FEVERALL", + "INJECTAPAP", + "JUNIOR PARAPAED", + "MANDANOL", + "MEDINOL", + "MEDINOL FOR CHILDREN", + "MEDINOL OVER 6", + "MEDINOL UNDER 6", + "MEDISED PLAIN", + "MIRADOL", + "N-ACETYL-P-AMINOPHENOL", + "NEOPAP", + "NSC-109028", + "NSC-3991", + "OFIRMEV", + "P-HYDROXY-ACETANILID", + "PALDESIC", + "PANADOL", + "PANADOL ACTIFAST", + "PANADOL ACTIFAST SOLB", + "PANADOL ADVAN", + "PANADOL JNR", + "PANADOL OA", + "PANALEVE", + "PANALEVE 6 PLUS", + "PARACETAMOL", + "PARACETAMOLUM", + "PARAMIN", + "PARAPAED JNR", + "PARAPAED SIX PLUS", + "PARAVICT", + "PERFALGAN", + "PLACIDEX", + "Paracetamol", + "Phenaphen", + "RIMADOL", + "SALZONE", + "TIXYMOL", + "TRAMIL 500", + "TYLENOL", + "VERMIDON" + ], + "smiles": "CC(=O)Nc1ccc(O)cc1", + "atc_code": "N02BE51 | N02BE01 | N02BE71" + }, + "CHEMBL533_approved": { + "title": "IBUTILIDE", + "synonyms": [ + "IBUTILIDE", + "Ibutilide" + ], + "smiles": "CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1", + "atc_code": "C01BD05" + }, + "CHEMBL2396661_approved": { + "title": "ALPELISIB", + "synonyms": [ + "ALPELISIB", + "Alpelisib", + "BYL-719", + "BYL719", + "NVP-BYL719", + "Piqray", + "VIJOICE" + ], + "smiles": "Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1", + "atc_code": "L01EM03" + }, + "CHEMBL1491_approved": { + "title": "AMLODIPINE", + "synonyms": [ + "AMLODIPINE", + "ASTUDAL 5", + "CKD-330 COMPONENT AMLODIPINE", + "HGP-0904", + "HGP0904", + "ISTIN", + "NORVAS", + "NORVASC" + ], + "smiles": "CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl", + "atc_code": "C08CA01" + }, + "CHEMBL1201289_approved": { + "title": "CLINDAMYCIN PALMITATE", + "synonyms": [ + "CLINDAMYCIN PALMITATE" + ], + "smiles": "CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC", + "atc_code": null + }, + "CHEMBL501122_approved": { + "title": "CEFTAROLINE FOSAMIL", + "synonyms": [ + "CEFTAROLINE FOSAMIL", + "CEFTAROLINE FOSAMIL ANHYDROUS", + "PPI-0903", + "TAK 599", + "TAK-599", + "TAK599", + "TEFLARO" + ], + "smiles": "CCO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1", + "atc_code": "J01DI02" + }, + "CHEMBL1201863_approved": { + "title": "DEXLANSOPRAZOLE", + "synonyms": [ + "(R)-LANSOPRAZOLE", + "DEXILANT", + "DEXILANT SOLUTAB", + "DEXLANSOPRAZOLE", + "KAPIDEX", + "Kapidex", + "LANSOPRAZOLE R-FORM", + "LANSOPRAZOLE, (R)-", + "NSC-758710", + "T-168390", + "TAK-390" + ], + "smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1", + "atc_code": "A02BC06" + }, + "CHEMBL1570_approved": { + "title": "SULFOXONE", + "synonyms": [ + "ALDESULFONE", + "ALDESULPHONE", + "Sulfoxone" + ], + "smiles": "O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1", + "atc_code": null + }, + "CHEMBL175691_approved": { + "title": "RILPIVIRINE", + "synonyms": [ + "EDURANT", + "R 278474", + "R-278474", + "R278474", + "RILPIVIRINE", + "Rekambys", + "TMC-278", + "TMC278" + ], + "smiles": "Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1", + "atc_code": "J05AG05" + }, + "CHEMBL1200391_approved": { + "title": "TROMETHAMINE", + "synonyms": [ + "NSC-6365", + "THAM", + "TRIS(HYDROXYMETHYL)AMINOMETHANE", + "TRIS-BASE", + "TRIZMA", + "TROMETAMOL", + "TROMETHAMINE" + ], + "smiles": "NC(CO)(CO)CO", + "atc_code": "B05BB03 | B05XX02" + }, + "CHEMBL946_approved": { + "title": "AZATADINE", + "synonyms": [ + "AZATADINE", + "Azatadine", + "Optimine", + "Trinalin" + ], + "smiles": "CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1", + "atc_code": "R06AX09" + }, + "CHEMBL2338329_approved": { + "title": "ROXADUSTAT", + "synonyms": [ + "ASP-1517", + "ASP1517", + "Evrenzo", + "FG-4592", + "FG4592", + "ROXADUSTAT" + ], + "smiles": "Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12", + "atc_code": "B03XA05" + }, + "CHEMBL640_approved": { + "title": "PROCAINAMIDE", + "synonyms": [ + "NOVOCAINAMIDE", + "NSC-27461", + "PROCAINAMIDE", + "Procainamide", + "Procan", + "Procanbid", + "Procapan", + "Pronestyl", + "Pronestyl-SR", + "SP 100 (PHARMACEUTICAL)" + ], + "smiles": "CCN(CC)CCNC(=O)c1ccc(N)cc1", + "atc_code": "C01BA02" + }, + "CHEMBL3707331_approved": { + "title": "ROLAPITANT", + "synonyms": [ + "ROLAPITANT", + "VARUBY" + ], + "smiles": "C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", + "atc_code": "A04AD14" + }, + "CHEMBL385517_approved": { + "title": "SAXAGLIPTIN ANHYDROUS", + "synonyms": [ + "BMS-477118", + "SBMS-477118" + ], + "smiles": "N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2", + "atc_code": null + }, + "CHEMBL480_approved": { + "title": "LANSOPRAZOLE", + "synonyms": [ + "A-65006", + "AG-1749", + "AGOPTON", + "LANSOPRAZOLE", + "LANSOX", + "LANZOPRAZOLE", + "LANZOR", + "LIMPIDEX", + "NSC-758638", + "OGAST", + "OGASTORO", + "OPIREN", + "PREVACID", + "PREVACID 24 HR", + "PREVACID IV", + "PREVONCO", + "Prevacid Delayed Release", + "Prevacid SoluTab", + "TAKEPRON", + "ZOTON" + ], + "smiles": "Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1", + "atc_code": "A02BC03 | A02BC53" + }, + "CHEMBL256087_approved": { + "title": "MENTHOL", + "synonyms": [ + "AQUA-COOL", + "AQUASOOTHE", + "ARJUN", + "CATARRH", + "DERMACOOL", + "DL-MENTHOL", + "FEMA NO. 2665", + "HALLS", + "KARVOL", + "LOCKETS", + "MEGGEZONE", + "MEGGEZONES", + "MENTHOL", + "MENTHOL RACEMATE", + "MENTHOL, CIS-1,3,TRANS-1,4-", + "MENTHOL, DL-", + "MUIRS", + "NSC-2603", + "RAC-MENTHOL", + "RACEMENTHOL", + "TIXYLIX DECONGESTANT INH", + "VOCALZONE" + ], + "smiles": "CC1CCC(C(C)C)C(O)C1", + "atc_code": null + }, + "CHEMBL982_approved": { + "title": "NALMEFENE", + "synonyms": [ + "JF-1", + "JKB-121", + "NALMEFENE", + "NALMETRENE", + "Nalmefene", + "ORF 1167", + "ORF 11676", + "ORF-1167", + "ORF-11676", + "Revex", + "SELINCRO", + "SRD-174", + "SRD174" + ], + "smiles": "C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", + "atc_code": "N07BB05" + }, + "CHEMBL1201109_approved": { + "title": "DESONIDE", + "synonyms": [ + "D-2083", + "D2083", + "DESONATE", + "DESONIDE", + "DESOWEN", + "Desonate", + "NSC-759226", + "TRIDESILON", + "VERDESO" + ], + "smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", + "atc_code": "S01BA11 | D07AB08" + }, + "CHEMBL2095209_approved": { + "title": "ICOSAPENT ETHYL", + "synonyms": [ + "AMR 101", + "AMR-101", + "AMR101", + "EICOSAPENTAENOIC ACID ETHYL ESTER", + "EPADEL", + "ETHYL ICOSAPENT", + "ETHYL ICOSAPENTATE", + "ICOSAPENT ETHYL", + "ICOSAPENT ETHYL ESTER", + "NSC-759597", + "TIMNODONIC ACID ETHYL ESTER", + "VASCEPA", + "Vazkepa" + ], + "smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OCC", + "atc_code": null + }, + "CHEMBL998_approved": { + "title": "LORATADINE", + "synonyms": [ + "ALAVERT", + "BAY76-2211", + "CHILDREN'S CLARITIN", + "CLARITIN", + "CLARITIN HIVES RELIEF", + "CLARITIN HIVES RELIEF REDITAB", + "CLARITIN REDITABS", + "CLARITYN", + "CLARITYN RAPIDE", + "CLARITYNE", + "Claritin-D", + "HAY-RITE", + "LORATADINE", + "LORATADINE REDIDOSE", + "NSC-758628", + "ROLETRA", + "SCH 29851", + "SCH-29851" + ], + "smiles": "CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1", + "atc_code": "R06AX13" + }, + "CHEMBL1480_approved": { + "title": "FELODIPINE", + "synonyms": [ + "C08CA02", + "CABREN", + "CARDIOPLEN XL", + "FELODIPINE", + "FELOGEN XL", + "FELOTENS XL", + "FOLPIK XL", + "H 154/82", + "H-154/82", + "KELOC SR", + "NEOFEL XL", + "NSC-760343", + "PARMID XL", + "PINEFELD XL", + "PLENDIL", + "PRESLOW", + "VASCALPHA" + ], + "smiles": "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", + "atc_code": "C08CA02" + }, + "CHEMBL808_approved": { + "title": "ECONAZOLE", + "synonyms": [ + "ECONAZOLE", + "Econazole", + "NSC-187789", + "Spectazole" + ], + "smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", + "atc_code": "D01AC03 | G01AF05" + }, + "CHEMBL666_approved": { + "title": "FOSCARNET", + "synonyms": [ + "Dihydroxyphosphinecarboxylic Acid Oxide", + "FOSCARNET", + "Foscarnet", + "J05AD01" + ], + "smiles": "O=C(O)P(=O)(O)O", + "atc_code": "J05AD01" + }, + "CHEMBL1290_approved": { + "title": "PENBUTOLOL", + "synonyms": [ + "Levatol", + "PENBUTOLOL", + "Penbutolol" + ], + "smiles": "CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1", + "atc_code": "C07AA23" + }, + "CHEMBL1323_approved": { + "title": "DARUNAVIR", + "synonyms": [ + "(-)-DARUNAVIR", + "DARUNAVIR", + "MC-114", + "PREZISTA", + "TMC 114", + "TMC-114", + "TMC-41629", + "TMC114", + "UIC-94017", + "UIC-940T" + ], + "smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1", + "atc_code": "J05AE10" + }, + "CHEMBL869_approved": { + "title": "NITROFURAZONE", + "synonyms": [ + "ACTIN-N", + "FURACILIN", + "FURACIN", + "FURACINE", + "Furazone", + "NITROFURAL", + "NITROFURAZONE", + "NSC-1602", + "NSC-2100", + "Nitrofural", + "Nitrofurazone" + ], + "smiles": "NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1", + "atc_code": "B05CA03 | P01CC02 | S02AA02 | D09AA03 | D08AF01 | S01AX04" + }, + "CHEMBL1514_approved": { + "title": "LEVOMETHADYL ACETATE", + "synonyms": [ + "LAA-M", + "LAAM", + "LEVACETYLMETHADOL", + "LEVO-ALPHACETYLMETHADOL", + "LEVOACETYL METHADOL", + "LEVOMETHADYL ACETATE", + "Levomethadyl acetate", + "Orlaam" + ], + "smiles": "CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1", + "atc_code": "N07BC03" + }, + "CHEMBL1200507_approved": { + "title": "IODIXANOL", + "synonyms": [ + "2-5410-3A", + "2-541O-3A", + "IODIXANOL", + "NSC-760069", + "VISIPAQUE 270", + "VISIPAQUE 320" + ], + "smiles": "CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I", + "atc_code": "V08AB09" + }, + "CHEMBL36_approved": { + "title": "PYRIMETHAMINE", + "synonyms": [ + "CHLORIDINE", + "Chloridin", + "DARAPRIM", + "GNF-PF-5586", + "Malacide", + "NSC-3061", + "PYRIMETHAMINE", + "PYRIMETHAMINUM", + "Pyrimethamine", + "RP-4753", + "TCMDC-123831", + "TCMDC-125860", + "WR-2978" + ], + "smiles": "CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1", + "atc_code": "P01BD01 | P01BD51" + }, + "CHEMBL3989843_approved": { + "title": "TRANYLCYPROMINE", + "synonyms": [ + "NSC-80664", + "TRANYLCYPROMINE" + ], + "smiles": "N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1", + "atc_code": "N06AF04" + }, + "CHEMBL86304_approved": { + "title": "MOCLOBEMIDE", + "synonyms": [ + "AURORIX", + "GNF-PF-695", + "MANERIX", + "MOCLOBEMIDE", + "RO 11-1163/000", + "RO-111163000" + ], + "smiles": "O=C(NCCN1CCOCC1)c1ccc(Cl)cc1", + "atc_code": "N06AG02" + }, + "CHEMBL568_approved": { + "title": "OXAZEPAM", + "synonyms": [ + "J3.308A", + "LEDERPAM", + "NSC-169448", + "OXAZEPAM", + "OXAZEPAM CIV", + "OXOZEPAM", + "SERAX", + "SERENID FTE", + "TEMAZEPAM IMPURITY, OXAZEPAM-", + "WY-3498", + "ZAXOPAM" + ], + "smiles": "O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O", + "atc_code": "N05BA04" + }, + "CHEMBL1201012_approved": { + "title": "FLURANDRENOLIDE", + "synonyms": [ + "33379", + "CORDRAN", + "CORDRAN SP", + "FLUDROXICORTIDE", + "FLUDROXYCORTIDE", + "FLURANDRENOLIDE", + "FLURANDRENOLONE", + "HAELAN", + "HAELAN-C", + "HAELAN-X", + "NSC-757869" + ], + "smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", + "atc_code": "D07AC07" + }, + "CHEMBL1007_approved": { + "title": "GONADORELIN", + "synonyms": [ + "FERTIRAL LH-RH", + "GONADORELIN", + "GONADORELIN DECAPEPTIDE", + "GONADOTROPIN-RELEASING HORMONE", + "Human gonadoliberin-i", + "RELEFACT LH-RH" + ], + "smiles": "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", + "atc_code": "H01CA01 | V04CM01" + }, + "CHEMBL1131_approved": { + "title": "ACITRETIN", + "synonyms": [ + "ACITRETIN", + "ETRETIN", + "NEOTIGASON", + "RO 10-1670", + "RO 10-1670/000", + "RO-101670000", + "SORIATANE" + ], + "smiles": "COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C", + "atc_code": "D05BB02" + }, + "CHEMBL2103837_approved": { + "title": "TAFAMIDIS", + "synonyms": [ + "FX-1005", + "FX-1006", + "FX1006", + "TAFAMIDIS", + "VYNDAMAX", + "VYNDAQEL" + ], + "smiles": "O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1", + "atc_code": "N07XX08" + }, + "CHEMBL1542_approved": { + "title": "AZATHIOPRINE", + "synonyms": [ + "AZAMUNE", + "AZAPRESS", + "AZASAN", + "AZATHIOPRINE", + "AZATHIOPRINUM", + "BERKAPRINE", + "BW-57-322", + "IMMUNOPRIN 50", + "IMURAN", + "Jayempi", + "KENTAPRINE", + "NSC-39084", + "OPRISINE 50" + ], + "smiles": "Cn1cnc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12", + "atc_code": "L04AX01" + }, + "CHEMBL3039597_approved": { + "title": "GENTAMICIN", + "synonyms": [ + "GENTAMICIN", + "GENTAMYCIN", + "LYRAMYCIN", + "OKSITSELANIM", + "SCH-9724", + "SEPTIGEN", + "Uromycine" + ], + "smiles": "CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H](N)C[C@@H]2N)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O", + "atc_code": "S01AA11 | S02AA14 | J01GB03 | S03AA06 | D06AX07" + }, + "CHEMBL4297065_approved": { + "title": "SPINOSAD", + "synonyms": [ + "BLACKHAWK", + "COMFORTIS", + "Comfortis", + "DE-105", + "EXTINOSAD", + "LY-232105", + "NATROBA", + "NATROVA", + "NATURALYTE", + "PP-105", + "SPINOSAD", + "SPINOSAD (EMA EPAR: VETERINARY)", + "SPINOSYNS SPINOSAD", + "SPINTOR", + "XDE-105" + ], + "smiles": "CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C(C)[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1.CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C=C[C@H]3C2CC(=O)O1", + "atc_code": null + }, + "CHEMBL5_approved": { + "title": "NALIDIXIC ACID", + "synonyms": [ + "MICTRAL", + "NALIDIXANE", + "NALIDIXATE", + "NALIDIXIC ACID", + "NALIX", + "NEGGRAM", + "NEGRAM", + "NSC-82174", + "Neg Gram", + "URIBEN", + "Uroneg", + "WIN 18,320", + "WIN-18320", + "Wintomylon" + ], + "smiles": "CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21", + "atc_code": "J01MB02" + }, + "CHEMBL3707290_approved": { + "title": "SOMAPACITAN", + "synonyms": [ + "NN-8640", + "NN8640", + "NNC-0195-0092", + "NNC0195-0092", + "SOMAPACITAN", + "SOMAPACITAN BECO", + "Sogroya" + ], + "smiles": "C=C(CCCCCCCCCCCCCCCc1nnn[nH]1)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSC[C@H](N)C(=O)O)C(N)=O)C(=O)O)C(=O)O", + "atc_code": "H01AC07" + }, + "CHEMBL1201748_approved": { + "title": "CABAZITAXEL", + "synonyms": [ + "CABAZITAXEL", + "CABAZITAXEL ACETONATE", + "Cabazitaxel Accord", + "JEVTANA", + "JEVTANA KIT", + "Jevtana", + "NSC-761432", + "TXD 258", + "TXD-258", + "TXD258", + "XRP 6258", + "XRP-6258", + "XRP6258" + ], + "smiles": "CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C", + "atc_code": "L01CD04" + }, + "CHEMBL1405_approved": { + "title": "ESTRONE", + "synonyms": [ + "1,3,5-ESTRATRIEN-3-OL-17-ONE", + "ESTRADIOL METABOLITE E1", + "ESTROGENIC SUBSTANCE", + "ESTRONE", + "Estrone", + "FOLLICULAR HORMONE", + "FOLLICULAR-HORMONE", + "FOLLICULIN", + "FOLLICULINUM", + "KETOHYDROXYESTRIN", + "NATURAL ESTROGENIC SUBSTANCE-ESTRONE", + "NSC-9699", + "OESTRONE", + "Oestrone", + "THEELIN", + "THELYKININ", + "TOKOKIN", + "Theelin", + "WAY 164397" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O", + "atc_code": "G03CC04 | G03CA07" + }, + "CHEMBL2221250_approved": { + "title": "CAPREOMYCIN", + "synonyms": [ + "CAPASTAT", + "CAPOSTATIN", + "CAPREOMICIN", + "CAPREOMYCIN", + "CAPROMYCIN" + ], + "smiles": "C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1", + "atc_code": "J04AB30" + }, + "CHEMBL1305_approved": { + "title": "ANTAZOLINE", + "synonyms": [ + "ANTAZ SULF", + "ANTAZOLINE", + "ATAZOLINE", + "Antazoline", + "VASOCON-A", + "Vasocon-A" + ], + "smiles": "c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1", + "atc_code": "R01AC04 | R06AX05" + }, + "CHEMBL625_approved": { + "title": "THIABENDAZOLE", + "synonyms": [ + "E233", + "Equizole", + "LOMBRISTOP", + "MINTEZOL", + "MINZOLUM", + "MK-360", + "NEMAPAN", + "NSC-525040", + "NSC-90507", + "OMNIZOLE", + "Omnizole", + "PITRIZET", + "THIABENDAZOLE", + "THIABENZOLE", + "TIABENDAZOLE", + "Tiabendazole" + ], + "smiles": "c1ccc2[nH]c(-c3cscn3)nc2c1", + "atc_code": "D01AC06 | P02CA02" + }, + "CHEMBL635_approved": { + "title": "PREDNISONE", + "synonyms": [ + "3EN3HG4WSW", + "CORTAN", + "CORTANCYL", + "DECORTIN", + "DECORTISYL", + "DEHYDROCORTISONE", + "DELTA-DOME", + "DELTASONE", + "FERNISONE", + "LIQUID PRED", + "LODOTRA", + "METACORTANDRACIN", + "METICORTEN", + "NSC-10023", + "ORASONE", + "PARACORT", + "PREDNICEN-M", + "PREDNISONE", + "PREDNISONE ANHYDROUS", + "PREDNISONE INTENSOL", + "PREDNISONE TABLETS", + "Prednisone", + "RAYOS", + "SERVISONE", + "SUPERCORTIL", + "Sterapred" + ], + "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO", + "atc_code": "A07EA03 | H02AB07" + }, + "CHEMBL524_approved": { + "title": "METHOXAMINE", + "synonyms": [ + "METHOXAMINE", + "Methoxamine", + "NRL-001", + "NRL001", + "Vasoxyl" + ], + "smiles": "COc1ccc(OC)c(C(O)C(C)N)c1", + "atc_code": "C01CA10" + }, + "CHEMBL1589_approved": { + "title": "ACETOHEXAMIDE", + "synonyms": [ + "33006", + "ACETOHEXAMIDE", + "DIMELOR", + "DYMELOR", + "NSC-759128" + ], + "smiles": "CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", + "atc_code": "A10BB31" + }, + "CHEMBL1276308_approved": { + "title": "MIFEPRISTONE", + "synonyms": [ + "KORLYM", + "MIFEGYNE", + "MIFEPREX", + "MIFEPRISTONE", + "NSC-759862", + "RU 38486", + "RU 486", + "RU-38486", + "RU-486", + "RU486" + ], + "smiles": "CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", + "atc_code": "G03XB01 | G03XB51" + }, + "CHEMBL3183075_approved": { + "title": "NIZATIDINE", + "synonyms": [ + "ACINON", + "AXID", + "AXID AR", + "LY 139037", + "LY-139037", + "NIZATIDINE", + "NSC-759289", + "ZINGA 150", + "ZINGA 300" + ], + "smiles": "CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1", + "atc_code": "A02BA04" + }, + "CHEMBL70972_approved": { + "title": "SERATRODAST", + "synonyms": [ + "A-73001", + "AA-2414", + "ABBOTT 73001", + "ABBOTT-73001", + "ABT-001", + "BRONICA", + "NSC-759640", + "SERATRODAST" + ], + "smiles": "CC1=C(C)C(=O)C(C(CCCCCC(=O)O)c2ccccc2)=C(C)C1=O", + "atc_code": "R03DX06" + }, + "CHEMBL1201235_approved": { + "title": "METHYLHOMATROPINE", + "synonyms": [ + "METHYLHOMATROPINE CATION", + "METHYLHOMATROPINE ION" + ], + "smiles": "C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2", + "atc_code": null + }, + "CHEMBL507674_approved": { + "title": "CEFOPERAZONE", + "synonyms": [ + "CEFOPERAZONE", + "Cefoperazone", + "PERACEF" + ], + "smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O", + "atc_code": "J01DD12" + }, + "CHEMBL4303214_approved": { + "title": "FRUQUINTINIB", + "synonyms": [ + "FRUQUINTINIB", + "Fruzaqla", + "HMPL-013", + "HMPL013" + ], + "smiles": "CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12", + "atc_code": null + }, + "CHEMBL452231_approved": { + "title": "TENIPOSIDE", + "synonyms": [ + "NSC-122819", + "TENIPOSIDE", + "VM-26", + "VM26", + "VUMON" + ], + "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", + "atc_code": "L01CB02" + }, + "CHEMBL410414_approved": { + "title": "DIRLOTAPIDE", + "synonyms": [ + "CP-742,033", + "CP-742033", + "DIRLOTAPIDE", + "SLENTROL", + "Slentrol" + ], + "smiles": "CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1", + "atc_code": null + }, + "CHEMBL862_approved": { + "title": "GUANFACINE", + "synonyms": [ + "GUANFACINE", + "Guanfacine", + "INTUNIV", + "NSC-759121", + "Tenex" + ], + "smiles": "N=C(N)NC(=O)Cc1c(Cl)cccc1Cl", + "atc_code": "C02AC02" + }, + "CHEMBL1201255_approved": { + "title": "HISTRELIN", + "synonyms": [ + "HISTRELIN", + "ORF 17070", + "ORF 17070RWJ 17070", + "ORF-17070", + "RWJ 17070", + "RWJ-17070" + ], + "smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1", + "atc_code": "L02AE05" + }, + "CHEMBL456_approved": { + "title": "ETHACRYNIC ACID", + "synonyms": [ + "EDECRIN", + "ETACRYNIC ACID", + "ETHACRYNATE", + "ETHACRYNIC ACID", + "HYDROMEDIN", + "MK-595", + "NSC-624008", + "NSC-85791", + "REOMAX" + ], + "smiles": "C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl", + "atc_code": "C03CC01" + }, + "CHEMBL3301610_approved": { + "title": "ABEMACICLIB", + "synonyms": [ + "ABEMACICLIB", + "Abemaciclib", + "LY-2835219", + "LY2835219", + "VERZENIO", + "Verzenios" + ], + "smiles": "CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1", + "atc_code": "L01EF03" + }, + "CHEMBL1525_approved": { + "title": "PERMETHRIN", + "synonyms": [ + "ACTIVYL TICK PLUS", + "ELIMITE", + "LYCLEAR", + "LYTHRIN", + "NSC-760105", + "PERMETHRIN" + ], + "smiles": "CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1", + "atc_code": "P03AC04 | P03AC54" + }, + "CHEMBL90593_approved": { + "title": "PRASTERONE", + "synonyms": [ + "BIOLAIF", + "DEHYDROANDROSTERONE", + "DEHYDROEPIANDROSTERONE", + "DEHYDROISOANDROSTERONE", + "DHEA", + "EM-760", + "ENZYMATIC THERAPY", + "Intrarosa", + "NATROL DHEA", + "NSC-9896", + "PRASTERONE", + "VAGINORM" + ], + "smiles": "C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12", + "atc_code": "A14AA07 | G03XX01" + }, + "CHEMBL505_approved": { + "title": "CHLORPHENIRAMINE", + "synonyms": [ + "Antagonate", + "CHLOR-TRIMETON", + "CHLORPHENAMINE", + "CHLORPHENIRAMINE", + "Chlorpheniramine", + "Isoclor", + "Kloromin", + "Phenetron", + "Teldrin" + ], + "smiles": "CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1", + "atc_code": "R06AB54 | R06AB04" + }, + "CHEMBL1532_approved": { + "title": "QUINETHAZONE", + "synonyms": [ + "CHINETHAZONE", + "HYDROMOX", + "NSC-759904", + "QUINETHAZONE", + "Quinethazone" + ], + "smiles": "CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1", + "atc_code": "C03BA02" + }, + "CHEMBL3989945_approved": { + "title": "REZAFUNGIN", + "synonyms": [ + "BIAFUNGIN", + "CD-101", + "CD101", + "REZAFUNGIN", + "REZAFUNGIN CATION", + "REZAFUNGIN ION", + "SP-3025" + ], + "smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1", + "atc_code": null + }, + "CHEMBL235668_approved": { + "title": "TIPIRACIL", + "synonyms": [ + "MA-1", + "TIPIRACIL", + "TPI (freebase)" + ], + "smiles": "N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl", + "atc_code": null + }, + "CHEMBL58323_approved": { + "title": "LACOSAMIDE", + "synonyms": [ + "(R)-LACOSAMIDE 1", + "ADD 243037", + "ADD-243037", + "ADD243037", + "ERLOSAMIDE", + "LACOSAMIDE", + "LACOSAMIDE CV", + "MOTPOLY", + "SPM 927", + "SPM-927", + "SPM927", + "Vimpat" + ], + "smiles": "COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1", + "atc_code": "N03AX18" + }, + "CHEMBL1650_approved": { + "title": "CORTISONE ACETATE", + "synonyms": [ + "CORTATE", + "CORTELAN", + "CORTISONE", + "CORTISONE 21-ACETATE", + "CORTISONE ACETATE", + "CORTISONE ACETICUM", + "CORTISTAB", + "CORTISYL", + "CORTONE", + "Cortisone Acetate", + "NSC-49420" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C", + "atc_code": "S01BA03 | H02AB10" + }, + "CHEMBL340978_approved": { + "title": "BENOXAPROFEN", + "synonyms": [ + "BENOXAPROFEN", + "COMPD 90459", + "COMPOUND 90459", + "COXIGON", + "NSC-299582", + "OPREN" + ], + "smiles": "CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1", + "atc_code": "M01AE06" + }, + "CHEMBL34259_approved": { + "title": "METHOTREXATE", + "synonyms": [ + "(R)-METHOTREXATE", + "ADX-2191", + "AMETHOPTERIN", + "Abitrexate", + "Amethopterin", + "CL 14377", + "CL-14377", + "D-AMETHOPTERIN", + "D-METHOTREXATE", + "EBETREX", + "EMT-25299", + "EMTEXATE HIGH-POT", + "EMTEXATE PF", + "Folex", + "JYLAMVO", + "MAXTREX", + "METHOTREXATE", + "METHOTREXATE, (R)-", + "METHOTREXATE, D-", + "METHOTREXATUM", + "METHYLAMINOPTERIN", + "METOJECT", + "Methotrexate", + "Mexate", + "Mexate-AQ", + "NSC-740", + "Nordimet", + "OTREXUP", + "OTREXUP PFS", + "R-9985", + "R-METHOTREXATE", + "RASUVO", + "REDITREX", + "Rheumatrex", + "TCMDC-123832", + "TCMDC-125488", + "TCMDC-125858", + "Trexall", + "ZLATAL", + "methotrexate" + ], + "smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", + "atc_code": "L04AX03 | L01BA01" + }, + "CHEMBL729_approved": { + "title": "LOPINAVIR", + "synonyms": [ + "A-157378-0", + "A-157378.0", + "ABT-378", + "ALUVIRAN", + "KOLETRA", + "Kaletra", + "LOPINAVIR", + "LOPINAVIR, (S-(2S,4S,5S))-", + "LOPINAVIR-", + "LOPINAVIRUM" + ], + "smiles": "Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O", + "atc_code": null + }, + "CHEMBL1428_approved": { + "title": "NIMODIPINE", + "synonyms": [ + "ADMON", + "BAY E 9736", + "BAY-E-9736", + "NEMOTAN", + "NIMODIPINE", + "NIMODIPINE AP", + "NIMOTOP", + "NSC-758476", + "NYMALIZE", + "PERIPLUM" + ], + "smiles": "COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1", + "atc_code": "C08CA06" + }, + "CHEMBL21731_approved": { + "title": "MAPROTILINE", + "synonyms": [ + "BA-34,276 FREE BASE", + "BA-34,276 [AS HYDROCHLORIDE]", + "BA-34276 FREE BASE", + "MAPROTILINE" + ], + "smiles": "CNCCCC12CCC(c3ccccc31)c1ccccc12", + "atc_code": "N06AA21" + }, + "CHEMBL2364632_approved": { + "title": "SARECYCLINE", + "synonyms": [ + "P-005672", + "P005672", + "SARECYCLINE" + ], + "smiles": "CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", + "atc_code": "J01AA14" + }, + "CHEMBL1200829_approved": { + "title": "GLUCONOLACTONE", + "synonyms": [ + ".DELTA.-D-GLUCONOLACTONE", + "D-GLUCONIC ACID .DELTA.-LACTONE", + "D-GLUCONIC ACID DELTA-LACTONE", + "D-GLUCONO-1,5-LACTONE", + "DELTA-GLUCONOLACTONE", + "E-575", + "E575", + "FUJIGLUCON", + "GLUCONO .DELTA. LACTONE", + "GLUCONO .DELTA.-LACTONE", + "GLUCONO DELTA-LACTONE", + "GLUCONO-DELTA-LACTONE", + "GLUCONOLACTONE", + "INS NO.575", + "INS-575", + "LYSACTONE", + "NSC-34393", + "NSC-758238", + "RIKEN LACTONE" + ], + "smiles": "O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", + "atc_code": null + }, + "CHEMBL404520_approved": { + "title": "CHLORTETRACYCLINE", + "synonyms": [ + "CHLOROTETRACYCLINE", + "CHLORTETRACYCLINE", + "Chlortetracycline", + "E702" + ], + "smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12", + "atc_code": "D06AA02 | J01AA03 | S01AA02 | A01AB21" + }, + "CHEMBL679_approved": { + "title": "EPINEPHRINE", + "synonyms": [ + "(-)-(R)-EPINEPHRINE", + "(-)-EPINEPHRINE", + "ADREN CO", + "ADRENACLICK", + "ADRENALIN", + "ADRENALINE", + "ADRENALINUM", + "ANA-GUARD", + "ANAPEN", + "ANAPHYLACTIC SHOCK DRUG KIT", + "ASMA-VYDRIN", + "ASTHMAHALER", + "AUVI-Q", + "Ana-Kit", + "BRONKAID MIST", + "BROVON", + "EMERADE", + "EPI E Z PEN JR", + "EPINEPHRINE", + "EPINEPHRINE (COPACKAGED)", + "EPINEPHRINE HCL", + "EPINEPHRINE HYDROCHLORIDE", + "EPINEPHRINUM", + "EPIPEN", + "EPIPEN E Z PEN", + "EPIPEN JR", + "EPIPEN JR.", + "EPPY", + "Epinephrine", + "GLAUPOSINE", + "GPPE INH SOLN", + "JEXT", + "L-EPINEPHRINE HYDROCHLORIDE", + "LEVO-METHYLAMINOETHANOLCATECHOL", + "MEDIHALER-EPI", + "NEPHRIDINE", + "NSC-62786", + "PRIMATENE", + "PRIMATENE MIST", + "RACEPINEFRINE HYDROCHLORIDE, (R)-", + "RACEPINEFRINE, (R)-", + "RIDDOBRON", + "RIDDOFAN", + "RYBARVIN", + "SIMPLENE", + "SOLN MADE TO RYBARVIN FOR", + "SUS-PHRINE SULFITE FREE", + "SUS-PHRINE SULPHITE-FREE", + "SUSPHRINE", + "SYMJEPI", + "Sus-Phrine", + "Sus-phrine sulfite-free", + "TONOGEN", + "TWINJECT", + "TWINJECT 0.15", + "TWINJECT 0.3" + ], + "smiles": "CNC[C@H](O)c1ccc(O)c(O)c1", + "atc_code": "R03AA01 | S01EA51 | R01AA14 | B02BC09 | S01EA01 | A01AD01 | C01CA24 | R03AK01" + }, + "CHEMBL2110588_approved": { + "title": "ELIGLUSTAT", + "synonyms": [ + "ELIGLUSTAT", + "GENZ 99067", + "GENZ-99067" + ], + "smiles": "CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2", + "atc_code": "A16AX10" + }, + "CHEMBL850_approved": { + "title": "SPARFLOXACIN", + "synonyms": [ + "AT-4140", + "CI-978", + "NSC-759641", + "SPARFLOXACIN", + "Spara", + "ZAGAM" + ], + "smiles": "C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1", + "atc_code": "J01MA09" + }, + "CHEMBL2107067_approved": { + "title": "TESTOSTERONE UNDECANOATE", + "synonyms": [ + "AVEED", + "JATENZO", + "KYZATREX", + "MK-3033", + "NEBIDO", + "ORG 538", + "ORG-538", + "RESTANDOL", + "RESTANDOL TESTOCAP", + "TESTOSTERONE 17.BETA.-UNDECYLATE", + "TESTOSTERONE UNDECANOATE", + "TESTOSTERONE UNDECYLATE", + "TESTOSTERONE, UNDECANOATE (ESTER)", + "TLANDO", + "TSX-011", + "UNDESTOR" + ], + "smiles": "CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL3544914_approved": { + "title": "TEZACAFTOR", + "synonyms": [ + "TEZACAFTOR", + "Tezacaftor", + "VX-661" + ], + "smiles": "CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO", + "atc_code": null + }, + "CHEMBL3391662_approved": { + "title": "PARITAPREVIR", + "synonyms": [ + "ABT-450", + "PARITAPREVIR", + "VERUPREVIR", + "VERUPREVIR ANHYDROUS" + ], + "smiles": "Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1", + "atc_code": null + }, + "CHEMBL1198857_approved": { + "title": "VILANTEROL", + "synonyms": [ + "GW-642444", + "GW-642444X", + "GW642444", + "GW642444X", + "VILANTEROL" + ], + "smiles": "OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O", + "atc_code": null + }, + "CHEMBL1592_approved": { + "title": "QUINAPRIL", + "synonyms": [ + "C09AA06", + "CI-906", + "QUINAPRIL", + "Quinapril" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O", + "atc_code": "C09AA06" + }, + "CHEMBL1201203_approved": { + "title": "BENZTROPINE", + "synonyms": [ + "BENZATROPINE", + "BENZTROPINE", + "COBRENTIN", + "NK-02" + ], + "smiles": "CN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2", + "atc_code": "N04AC01" + }, + "CHEMBL3039502_approved": { + "title": "DUVELISIB", + "synonyms": [ + "DUVELISIB", + "INK-1197", + "IPI-145" + ], + "smiles": "C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1", + "atc_code": "L01EM04" + }, + "CHEMBL261772_approved": { + "title": "MECLOCYCLINE SULFOSALICYLATE", + "synonyms": [ + "MECLAN", + "MECLOCYCLINE 5-SULFOSALICYLATE", + "MECLOCYCLINE SULFOSALICYLATE", + "MECLOCYLINE SULFOSALICYLATE", + "Meclocil", + "Mecloderm", + "Meclosorb", + "NSC-757831", + "Quoderm", + "SNX-1012", + "Traumatociclina" + ], + "smiles": "C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O", + "atc_code": null + }, + "CHEMBL1479_approved": { + "title": "DANAZOL", + "synonyms": [ + "DANAZOL", + "DANOCRINE", + "NSC-270916", + "WIN 17,757", + "WIN-17757" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C", + "atc_code": "G03XA01" + }, + "CHEMBL3317857_approved": { + "title": "VABORBACTAM", + "synonyms": [ + "RPX-7009", + "RPX7009", + "VABORBACTAM" + ], + "smiles": "O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1", + "atc_code": null + }, + "CHEMBL457_approved": { + "title": "GEMFIBROZIL", + "synonyms": [ + "CI-719", + "EMFIB", + "GEMFIBROZIL", + "LOPID", + "NSC-757024" + ], + "smiles": "Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1", + "atc_code": "C10AB04" + }, + "CHEMBL1201753_approved": { + "title": "PITAVASTATIN", + "synonyms": [ + "ITAVASTATIN", + "NSC-760423", + "PITAVASTATIN" + ], + "smiles": "O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1", + "atc_code": "C10AA08" + }, + "CHEMBL1282_approved": { + "title": "IMIQUIMOD", + "synonyms": [ + "Aldara", + "IMIQUIMOD", + "NSC-369100", + "NSC-759651", + "R-837", + "S-26308", + "S26308", + "TMX-101", + "ZYCLARA" + ], + "smiles": "CC(C)Cn1cnc2c(N)nc3ccccc3c21", + "atc_code": "D06BB10" + }, + "CHEMBL158_approved": { + "title": "AZTREONAM", + "synonyms": [ + "AZACTAM", + "AZONAM", + "AZTREON", + "AZTREONAM", + "Azactam", + "Cayston", + "NEBACTAM", + "NSC-646279", + "NSC-758913", + "PRIMBACTAM", + "SO 26776", + "SQ 26776", + "SQ-26776" + ], + "smiles": "C[C@H]1[C@H](NC(=O)/C(=N\\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O", + "atc_code": "J01DF01" + }, + "CHEMBL189963_approved": { + "title": "PALBOCICLIB", + "synonyms": [ + "Ibrance", + "PALBOCICLIB", + "PD-0332991" + ], + "smiles": "CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O", + "atc_code": "L01EF01" + }, + "CHEMBL703_approved": { + "title": "SUXAMETHONIUM", + "synonyms": [ + "Anectine", + "Quelicin", + "SUCCINYLCHOLINE", + "SUCCINYLCHOLINE CATION", + "SUCCINYLCHOLINE ION", + "SUXAMETHONIUM", + "SUXAMETHONIUM CATION", + "SUXAMETHONIUM ION", + "Succinylcholine", + "Sucostrin", + "Suxamethonium" + ], + "smiles": "C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C", + "atc_code": "M03AB01" + }, + "CHEMBL465_approved": { + "title": "DRONABINOL", + "synonyms": [ + ".DELTA.-9-TETRAHYDROCANNABINOL", + ".DELTA.1-THC", + ".DELTA.9-TETRAHYDROCANNABINOL", + ".DELTA.9-THC", + "ABBOTT 40566", + "ABBOTT-40566", + "DELTA-9-TETRAHYDROCANNABINOL", + "DELTA-9-THC", + "DRONABINOL", + "J882F", + "MARINOL", + "NSC-134454", + "QCD 84924", + "QCD-84924", + "SP 104", + "SP-104", + "SYNDROS", + "TETRAHYDROCANNABINOL", + "TETRAHYDROCANNABINOLS (-)-TRANS-.DELTA.9-FORM" + ], + "smiles": "CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21", + "atc_code": "A04AD10" + }, + "CHEMBL4084119_approved": { + "title": "LIRAGLUTIDE", + "synonyms": [ + "LIRAGLUTIDE", + "LIRAGLUTIDE (RDNA ORIGIN)", + "NN-2211", + "NN-9924", + "NN2211", + "NN9924", + "NNC 90-1170", + "NNC-90-1170", + "Saxenda", + "VICTOZA" + ], + "smiles": "CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O", + "atc_code": "A10BJ02" + }, + "CHEMBL553_approved": { + "title": "ERLOTINIB", + "synonyms": [ + "CP-358,774", + "CP-358774", + "CP-35877401", + "ERLOTINIB", + "Erlotinib", + "OSI-774", + "R-1415", + "RG-1415", + "Ro-508231", + "TARCEVA" + ], + "smiles": "C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1", + "atc_code": "L01EB02" + }, + "CHEMBL3608680_approved": { + "title": "FEZOLINETANT", + "synonyms": [ + "A-2693", + "A2693", + "AS-3472693-00", + "AS3472693-00", + "ES-256364", + "ESN-364", + "ESN364", + "FEZOLINETANT", + "VEOZAH" + ], + "smiles": "Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1", + "atc_code": "G02CX06" + }, + "CHEMBL389621_approved": { + "title": "HYDROCORTISONE", + "synonyms": [ + "ACETASOL HC", + "ACTICORT", + "AEROSEB-HC", + "ALA-CORT", + "ALA-SCALP", + "ALKINDI SPRINKLE", + "ALPHADERM", + "ANFLAM", + "ANUGESIC HC", + "ANUSOL HC", + "ANUSOL PLUS HC", + "ANUSOL SOOTHING RELIEF", + "Anucort-HC", + "Anusol-HC", + "BALNEOL-HC", + "BETA-HC", + "CALMURID HC", + "CANESTEN HC", + "CETACORT", + "CIPRO HC", + "COBADEX", + "COLOCORT", + "CORLAN", + "CORT-DOME", + "CORTEF", + "CORTENEM", + "CORTENEMA", + "CORTISOL", + "CORTRIL", + "Cor-Oticin", + "Cortifoam", + "DAKTACORT", + "DAKTACORT HYDROCORT", + "DERMA CARE HYDROCORT", + "DERMACORT", + "DERMASPRAY DEMANG", + "DIODERM", + "DOME-CORT", + "ECONACORT", + "EFCORTELAN P", + "ELDECORT", + "EPICORT", + "EURAX-HC", + "EURAX-HYDROCORT", + "EVACORT", + "EXE-CORT", + "FLEXICORT", + "GERMOLOIDS HC", + "GLYCORT", + "GREGODERM", + "H-CORT", + "HC #1", + "HC #4", + "HC (HYDROCORTISONE)", + "HI-COR", + "HYDRO-RX", + "HYDROCORT IN CALAMINE OILY", + "HYDROCORT IN CETOMACROGOL FOR A", + "HYDROCORT IN WTE SOFT PARAF", + "HYDROCORTISONE", + "HYDROCORTISONE IN ABSORBASE", + "HYDROCORTONE", + "HYDRODERM", + "HYDRODERM HC", + "HYTONE", + "Hydrocortisone", + "JUNGLE FOR", + "Locoid", + "MEDICORT", + "MILDISON LIPOCREAM", + "Micort-HC", + "NOGENIC HC", + "NSC-10483", + "NUTRACORT", + "NYBADEX", + "NYSTAFORM-HC", + "Neo-Cortef", + "OTOSEPTIL", + "OTOSPORIN", + "Ophthocort", + "PENECORT", + "PERINAL", + "PROCTOCORT", + "PROCTOCREAM HC", + "PROCTOFOAM HC", + "PROCTOSEDYL", + "Plenadren", + "QUINOCORT", + "SENTIAL HC", + "STIE-CORT", + "SYNACORT", + "TERRA-CORTRIL NYSTATIN", + "TEXACORT", + "TIMOCORT", + "TIMODINE", + "TOPISONE", + "TRI-CICATRIN", + "Terra-Cortril", + "U-Cort", + "UNIROID", + "UNIROID HC", + "XYLOPROCT", + "ZENOXONE" + ], + "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO", + "atc_code": "A07EA02 | S01CB03 | D07XA01 | S01BA02 | D07AA02 | A01AC03 | R01AD60 | C05AA01 | H02AB09 | S02BA01" + }, + "CHEMBL1201245_approved": { + "title": "BROMODIPHENHYDRAMINE", + "synonyms": [ + "4-BROMODIPHEN HYDRAMINE", + "BROMAZINE", + "Bromodiphenhydramine", + "DESEROL", + "HISTABROMAMINE", + "NEO-BENADRYL" + ], + "smiles": "CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1", + "atc_code": "R06AA01" + }, + "CHEMBL762_approved": { + "title": "OXYMETAZOLINE", + "synonyms": [ + "NASACON", + "OPERIL", + "OXYMETAZOLINE", + "Ocuclear", + "Oxymetazoline" + ], + "smiles": "Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1", + "atc_code": "D11AX27 | R01AA05 | S01GA04 | R01AB07" + }, + "CHEMBL1201227_approved": { + "title": "CYCRIMINE", + "synonyms": [ + "CYCRIMINE", + "Cycrimine" + ], + "smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1", + "atc_code": null + }, + "CHEMBL1271_approved": { + "title": "PENTOLINIUM", + "synonyms": [ + "Ansolysen", + "PENTOLINIUM CATION", + "PENTOLINIUM ION", + "PENTOLONIUM", + "Pentolinium" + ], + "smiles": "C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1", + "atc_code": null + }, + "CHEMBL316040_approved": { + "title": "TEPOXALIN", + "synonyms": [ + "ORF 20485", + "ORF-20485", + "RWJ 20485", + "RWJ-20485", + "TEPOXALIN", + "Tepoxalin", + "ZUBRIN", + "Zubrin" + ], + "smiles": "COc1ccc(-n2nc(CCC(=O)N(C)O)cc2-c2ccc(Cl)cc2)cc1", + "atc_code": null + }, + "CHEMBL1201349_approved": { + "title": "HEXAFLUORENIUM", + "synonyms": [ + "HEXAFLUORENIUM CATION", + "HEXAFLUORENIUM ION", + "HEXAFLURONIUM", + "Hexafluorenium" + ], + "smiles": "C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21", + "atc_code": "M03AC05" + }, + "CHEMBL1102_approved": { + "title": "GLUTETHIMIDE", + "synonyms": [ + "DORIDEN", + "ELRODORM", + "GLUTETHIMIDE", + "Glutethimide", + "NOXYRON", + "NSC-95239", + "RIGENOX", + "SARODORMIN" + ], + "smiles": "CCC1(c2ccccc2)CCC(=O)NC1=O", + "atc_code": "N05CE01" + }, + "CHEMBL1201206_approved": { + "title": "PIPECURONIUM", + "synonyms": [ + "Pipecuronium" + ], + "smiles": "CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1", + "atc_code": null + }, + "CHEMBL197676_approved": { + "title": "INDOXACARB", + "synonyms": [ + "ADVION", + "AVAUNT", + "Activyl", + "DPX-KN128", + "INDOXACARB (EMA EPAR: VETERINARY)", + "PROVAUNT", + "STEWARD" + ], + "smiles": "COC(=O)N(C(=O)N1CO[C@@]2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1", + "atc_code": null + }, + "CHEMBL7413_approved": { + "title": "METHOHEXITAL", + "synonyms": [ + "METHOHEXITAL", + "METHOHEXITAL CIV", + "METHOHEXITONE" + ], + "smiles": "C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O", + "atc_code": "N01AF01 | N05CA15" + }, + "CHEMBL3039509_approved": { + "title": "TILDIPIROSIN", + "synonyms": [ + "TILDIPIROSIN", + "Zuprevo" + ], + "smiles": "CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CN1CCCCC1", + "atc_code": null + }, + "CHEMBL311498_approved": { + "title": "CIANIDANOL", + "synonyms": [ + "CATECHIN", + "CATECHIN, D-", + "CATECHINIC ACID", + "CATECHUIC ACID", + "CATERGEN", + "CIANIDANOL", + "CIANIDOL", + "D-CATECHOL", + "NSC-2819" + ], + "smiles": "Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2", + "atc_code": null + }, + "CHEMBL3707377_approved": { + "title": "SEGESTERONE ACETATE", + "synonyms": [ + "ELCOMETRINE", + "NESTORONE", + "SEGESTERONE ACETATE", + "ST-1435" + ], + "smiles": "C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O", + "atc_code": null + }, + "CHEMBL339427_approved": { + "title": "TUBOCURARINE", + "synonyms": [ + "D-TUBOCURARINE", + "TUBOCURARINE", + "TUBOCURARINE CATION", + "TUBOCURARINE ION", + "Tubocurarine" + ], + "smiles": "COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C", + "atc_code": "M03AA02" + }, + "CHEMBL1201347_approved": { + "title": "ANILERIDINE", + "synonyms": [ + "ADOPOL", + "ALIDINE", + "ANILERIDINE", + "APIDOL", + "IDS-NA-012", + "LERITIN", + "NIPECOTAN" + ], + "smiles": "CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1", + "atc_code": "N01AH05" + }, + "CHEMBL497_approved": { + "title": "CLIOQUINOL", + "synonyms": [ + "4-STEARYLAMINO-PHENYL-TRIMETHYLAM. METILSULF.", + "CLIOQUINOL", + "Clioquinol", + "IODOCHLORHYDROXYQUIN", + "IODOCHLORHYDROXYQUINOLONE", + "NSC-3531", + "NSC-74938", + "ORALCER", + "VIOFORM" + ], + "smiles": "Oc1c(I)cc(Cl)c2cccnc12", + "atc_code": "D09AA10 | P01AA02 | P01AA52 | S02AA05 | G01AC02 | D08AH30" + }, + "CHEMBL1274_approved": { + "title": "NILUTAMIDE", + "synonyms": [ + "Anadron", + "NILANDRON", + "NILUTAMIDE", + "NSC-758683", + "RU 23908", + "RU-23908" + ], + "smiles": "CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O", + "atc_code": "L02BB02" + }, + "CHEMBL1201243_approved": { + "title": "IPODATE", + "synonyms": [ + "IOPODIC ACID", + "IPODIC ACID", + "Ipodate" + ], + "smiles": "CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I", + "atc_code": null + }, + "CHEMBL13608_approved": { + "title": "TOCERANIB", + "synonyms": [ + "PALLADIA", + "PHA-291639", + "TOCERANIB" + ], + "smiles": "Cc1[nH]c(/C=C2\\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCN1CCCC1", + "atc_code": null + }, + "CHEMBL1200624_approved": { + "title": "ETHYNODIOL DIACETATE", + "synonyms": [ + "ETHYNODIOL DIACETATE", + "ETYNODIOL", + "ETYNODIOL ACETATE", + "ETYNODIOL DIACETATE", + "FEMULEN", + "NSC-759288", + "SC 11800", + "SC-11800" + ], + "smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C", + "atc_code": "G03DC06" + }, + "CHEMBL2364610_approved": { + "title": "FLURALANER", + "synonyms": [ + "A-1443", + "A1443", + "AH-252723", + "AH252723", + "BRAVECTO", + "Bravecto", + "FLURALANER", + "FLURALANER (EMA EPAR: VETERINARY)" + ], + "smiles": "Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F", + "atc_code": null + }, + "CHEMBL1037_approved": { + "title": "GUANADREL", + "synonyms": [ + "GUANADREL", + "Guanadrel", + "Hylorel" + ], + "smiles": "N=C(N)NCC1COC2(CCCCC2)O1", + "atc_code": null + }, + "CHEMBL1257_approved": { + "title": "ENFLURANE", + "synonyms": [ + "ALYRANE", + "ANESTHETIC COMPOUND NO. 347", + "Anesthetic Compound No. 347", + "COMPOUND 347", + "EFRANE", + "ENFLURANE", + "ETHRANE", + "METHYLFLURETHER", + "NSC-115944", + "OHIO 347", + "R-E-235CA2" + ], + "smiles": "FC(F)OC(F)(F)C(F)Cl", + "atc_code": "N01AB04" + }, + "CHEMBL1576_approved": { + "title": "ETHINAMATE", + "synonyms": [ + "ETHINAMATE", + "Ethinamate", + "NSC-11538", + "VALMID" + ], + "smiles": "C#CC1(OC(N)=O)CCCCC1", + "atc_code": null + }, + "CHEMBL1200909_approved": { + "title": "PREDNISOLONE TEBUTATE", + "synonyms": [ + "ANHYDROUS PREDNISOLONE TEBUTATE", + "HYDELTRA-TBA", + "PREDNISOLONE 21-TERT-BUTYLACETATE", + "PREDNISOLONE BUTYLACETATE", + "PREDNISOLONE TEBUTATE" + ], + "smiles": "CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL1254682_approved": { + "title": "LEVALLORPHAN", + "synonyms": [ + "LEVALLORPHAN", + "Levallorphan", + "Lorfan", + "Naloxiphan" + ], + "smiles": "C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13", + "atc_code": null + }, + "CHEMBL3989850_approved": { + "title": "ECAMSULE", + "synonyms": [ + "ECAMSULE", + "ECAMSULE SOLUTION", + "MEXORYL", + "MEXORYL SX", + "Mexoryl SX", + "NSC-760054" + ], + "smiles": "CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1", + "atc_code": null + }, + "CHEMBL931_approved": { + "title": "HALOTHANE", + "synonyms": [ + "FLUOTHANE", + "FREON 123B1", + "HALOTHANE", + "HALOTHANUM", + "Halothane", + "NSC-143490", + "Rhidialothan" + ], + "smiles": "FC(F)(F)C(Cl)Br", + "atc_code": "N01AB01" + }, + "CHEMBL1201217_approved": { + "title": "DYCLONINE", + "synonyms": [ + "DYCLONINE" + ], + "smiles": "CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1", + "atc_code": "R02AD04 | N01BX02" + }, + "CHEMBL1546_approved": { + "title": "HYDROXYAMPHETAMINE", + "synonyms": [ + "DL-4-HYDROXYAMPHETAMINE", + "DL-P-HYDROXYAMPHETAMINE", + "HYDROXYAMFETAMINE", + "Hydroxyamphetamine", + "NORVERITOL", + "NSC-170995", + "P-HYDROXYAMPHETAMINE", + "PHENOL, P-(2-AMINOPROPYL)-", + "PULSOTON", + "RACEMIC P-HYDROXYAMPHETAMINE" + ], + "smiles": "CC(N)Cc1ccc(O)cc1", + "atc_code": null + }, + "CHEMBL1200732_approved": { + "title": "AMCINONIDE", + "synonyms": [ + "AMCINONIDE", + "CL 34699", + "CL-34699", + "CYCLOCORT", + "NSC-758620" + ], + "smiles": "CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", + "atc_code": "D07AC11" + }, + "CHEMBL18_approved": { + "title": "ETHOXZOLAMIDE", + "synonyms": [ + "CARDRASE", + "ETHAMIDE", + "ETHOXZOLAMIDE", + "Ethoxzolamide", + "NSC-10679" + ], + "smiles": "CCOc1ccc2nc(S(N)(=O)=O)sc2c1", + "atc_code": null + }, + "CHEMBL1018_approved": { + "title": "DIENESTROL", + "synonyms": [ + ".ALPHA.-DIENESTROL DIACETATE", + "CYCLADIENE", + "DEHYDROSTILBESTROL", + "DIENESTROL", + "DIENESTROL DIACETATE, .ALPHA.-", + "DIENESTROL TRANS-FORM", + "DIENESTROL, .ALPHA.-", + "DIENOESTROL", + "DIENOL", + "DINOVEX", + "Dienestrol", + "ESTRAGARD", + "ESTRAGUARD", + "ESTRORAL", + "FOLLIDIENE", + "GYNEFOLLIN", + "HORMOFEMIN", + "NSC-59809", + "OESTRASID", + "OESTRODIENE", + "OESTRORAL", + "RESTROL", + "RETALON" + ], + "smiles": "C/C=C(C(=C/C)/c1ccc(O)cc1)\\c1ccc(O)cc1", + "atc_code": "G03CB01 | G03CC02" + }, + "CHEMBL1079604_approved": { + "title": "METAXALONE", + "synonyms": [ + "AHR-438", + "FLEXURA", + "METAXALONE", + "NSC-170959", + "SKELAXIN", + "ZORANE" + ], + "smiles": "Cc1cc(C)cc(OCC2CNC(=O)O2)c1", + "atc_code": null + }, + "CHEMBL492_approved": { + "title": "ETIDOCAINE", + "synonyms": [ + "ETIDOCAINE", + "Etidocaine", + "W-19053", + "W-19053 [AS HYDROCHLORIDE]" + ], + "smiles": "CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C", + "atc_code": "N01BB57 | N01BB07" + }, + "CHEMBL1201263_approved": { + "title": "HYDROCORTAMATE", + "synonyms": [ + "HYDROCORTAMATE", + "Hydrocortamate" + ], + "smiles": "CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL170052_approved": { + "title": "IBAFLOXACIN", + "synonyms": [ + "IBAFLIN", + "IBAFLOXACIN", + "Ibaflin", + "Ibafloxacin", + "R 835", + "R-835", + "S 25930", + "S-25930" + ], + "smiles": "Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1CCC3C", + "atc_code": null + }, + "CHEMBL1201291_approved": { + "title": "IOXAGLIC ACID", + "synonyms": [ + "HEXABRIX 320", + "IOXAGLATE", + "IOXAGLIC ACID", + "P-286" + ], + "smiles": "CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I", + "atc_code": "V08AB03" + }, + "CHEMBL5315060_approved": { + "title": "ENFLICOXIB", + "synonyms": [ + "Daxocox", + "E-6087" + ], + "smiles": "NS(=O)(=O)c1ccc(N2N=C(C(F)(F)F)CC2c2ccc(F)cc2F)cc1", + "atc_code": null + }, + "CHEMBL420762_approved": { + "title": "MOZAVAPTAN", + "synonyms": [ + "MOZAVAPTAN", + "MOZAVAPTANE", + "Mozavaptan" + ], + "smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1", + "atc_code": null + }, + "CHEMBL1190_approved": { + "title": "DECAMETHONIUM", + "synonyms": [ + "DECAMETHONIUM CATION", + "DECAMETHONIUM ION", + "Decamethonium", + "Syncurine" + ], + "smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C", + "atc_code": null + }, + "CHEMBL1200714_approved": { + "title": "CHLORMEZANONE", + "synonyms": [ + "CHLORMETHAZANONE", + "CHLORMEZANONE", + "LYSEEN NEW", + "NSC-169108", + "TRANCOPAL" + ], + "smiles": "CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1", + "atc_code": "M03BB72 | M03BB52 | M03BB02" + }, + "CHEMBL712_approved": { + "title": "ANISINDIONE", + "synonyms": [ + "ANISINDIONE", + "Anisindione", + "MIRADON", + "NSC-759629" + ], + "smiles": "COc1ccc(C2C(=O)c3ccccc3C2=O)cc1", + "atc_code": null + }, + "CHEMBL1201165_approved": { + "title": "QUINESTROL", + "synonyms": [ + "ESTROVIS", + "NSC-759637", + "QUINESTROL", + "W 3566", + "W-3566" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C", + "atc_code": null + }, + "CHEMBL1208646_approved": { + "title": "THEOPHYLLINE GLYCINATE", + "synonyms": null, + "smiles": "Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)O", + "atc_code": null + }, + "CHEMBL3304484_approved": { + "title": "MONOCTANOIN", + "synonyms": null, + "smiles": "CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC.CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO", + "atc_code": null + }, + "CHEMBL1200356_approved": { + "title": "CYCLACILLIN", + "synonyms": [ + "CALTHOR", + "CICLACILLIN", + "CYCLACILLIN", + "CYCLAPEN-W", + "Cyclapen", + "NSC-88789", + "VASTCILLIN", + "Vasticillin", + "WY-4508" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O", + "atc_code": null + }, + "CHEMBL1200664_approved": { + "title": "POTASSIUM LACTATE", + "synonyms": [ + "E-326", + "E326", + "INS NO.326", + "INS-326", + "LACTIC ACID, MONOPOTASSIUM SALT", + "LACTIC ACID, POTASSIUM SALT", + "MONOPOTASSIUM 2-HYDROXYPROPANOATE", + "MONOPOTASSIUM LACTATE", + "POTASSIUM 2-HYDROXYPROPANOATE", + "POTASSIUM LACTATE", + "POTASSIUM LACTATE (SOLUTION)", + "Potassium lactate" + ], + "smiles": "CC(O)C(=O)[O-].[K+]", + "atc_code": "B05XA15" + }, + "CHEMBL1750_approved": { + "title": "CLOFARABINE", + "synonyms": [ + "CLOFARABINE", + "CLOLAR", + "Clolar", + "Evoltra", + "NSC-759857" + ], + "smiles": "Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F", + "atc_code": "L01BB06" + }, + "CHEMBL1112_approved": { + "title": "ARIPIPRAZOLE", + "synonyms": [ + "ABILIFY", + "ABILIFY MAINTENA", + "ABILIFY MAINTENA KIT", + "ABILIFY MYCITE", + "ABILIFY MYCITE KIT", + "ARIPIPRAZOLE", + "ARIPIPREX", + "Aripiprazole Mylan Pharma (previously Aripiprazole Pharmathen)", + "NSC-759266", + "OPC-14597", + "OPC-31" + ], + "smiles": "O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1", + "atc_code": "N05AX12" + }, + "CHEMBL981_approved": { + "title": "FENOFIBRIC ACID", + "synonyms": [ + "FENOFIBRATE FREE ACID", + "FENOFIBRATE RELATED COMPOUND B", + "FENOFIBRIC ACID", + "FIBRICOR", + "Fenocor-67", + "Fenogal", + "LF-153", + "Lipanthyl", + "Lipofen", + "Lofibra", + "NSC-281318", + "PROCETOFENIC ACID", + "Supralip", + "Trilipix" + ], + "smiles": "CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O", + "atc_code": null + }, + "CHEMBL571_approved": { + "title": "KETOPROFEN", + "synonyms": [ + "(RS)-KETOPROFEN", + "19583RP", + "ACTRON", + "ACTRON KETOPROFEN", + "ALRHEUMAT", + "ANEOL", + "AXORID", + "CAPISTEN", + "FENOKET 200", + "HYDRATROPIC ACID, M-BENZOYL-", + "IDEA-033", + "ISO-K", + "JOMETHID XL", + "KETOCID 200", + "KETONAL", + "KETOPROFEN", + "KETORIN", + "KETOTARD 200 XL", + "KETOVAIL", + "KETOZIP 200 XL", + "LARAFEN", + "LARAFEN CR", + "NEXCEDE", + "NSC-758144", + "ORUDIS", + "ORUDIS 100", + "ORUDIS KT", + "ORUVAIL", + "ORUVAIL 100", + "ORUVAIL 150", + "ORUVAIL 200", + "ORUVAIL IM", + "POWERGEL", + "R.P. 19,583", + "R.P. 19583", + "RP-19583", + "RU-4733", + "SECTOR", + "TILOKET", + "TILOKET CR", + "VALKET 200 RETARD" + ], + "smiles": "CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1", + "atc_code": "M01AE53 | M01AE03 | M02AA10" + }, + "CHEMBL256563_approved": { + "title": "MONEPANTEL", + "synonyms": [ + "MONEPANTEL", + "Zolvix" + ], + "smiles": "C[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1", + "atc_code": null + }, + "CHEMBL6966_approved": { + "title": "VERAPAMIL", + "synonyms": [ + "CP-16,533-1", + "CP-16533-1", + "CP-165331", + "Calan", + "Covera-HS", + "D-365", + "IPROVERATRIL", + "Isoptin", + "NSC-272306NA", + "Tarka", + "VERAPAMIL", + "VERAPAMIL SLOW RELEASE", + "Verapamil", + "Verelan" + ], + "smiles": "COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC", + "atc_code": "C08DA01 | C08DA51" + }, + "CHEMBL1082_approved": { + "title": "AMOXICILLIN", + "synonyms": [ + "AMIX 125", + "AMIX 250", + "AMIX 500", + "AMOPEN", + "AMORAM", + "AMOXICILLIN", + "AMOXICILLIN (ANHYDROUS)", + "AMOXICILLIN (AS TRIHYDRATE)", + "AMOXICILLIN ANHYDROUS", + "AMOXICILLIN HYDRATE", + "AMOXICILLIN PEDIATRIC", + "AMOXICILLIN TRIHYDRATE", + "AMOXICILLINE", + "AMOXICILLINUM TRIHYDRICUM", + "AMOXIDENT 250", + "AMOXIDENT 500", + "AMOXIL", + "AMOXIL FIZTAB", + "AMOXIL SF", + "AMOXYCILLIN", + "AMOXYKE", + "AMOXYMED", + "AMRIT", + "ATOKSILIN", + "Amoxi-Inject", + "Amoxi-Tabs", + "Amoxicilline", + "Amoxycillin", + "Aquacil", + "BRL 2333", + "BRL-2333", + "Biomox", + "DAMOXY", + "DEDOXIL", + "DEMOKSIL", + "DISPERMOX", + "FLEMOXIN SOLUTAB", + "GALENAMOX", + "LARGOPEN", + "LAROTID", + "MOKSILIN", + "MOXATAG", + "NSC-277174", + "POLYMOX", + "PROMOXIL", + "REMOXIL", + "RESPILLIN", + "Robamox", + "Sumox", + "TOPRAMOXIN", + "TRIMOX", + "UTIMOX", + "Vetremox", + "WYMOX", + "ZOXYCIL 250", + "ZOXYCIL 500" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA04" + }, + "CHEMBL566534_approved": { + "title": "ARTEMETHER", + "synonyms": [ + ".BETA.-ARTEMETHER", + "ARTEMETHER", + "ARTEMETHERUM", + "ARTESAPH", + "Artemetheri", + "DIHYDROARTEMISININ IMPURITY G", + "FALCIDOL", + "GVITHER", + "LARITHER", + "MALARTEM", + "NSC-665970", + "NSC-759820", + "PALUTHER", + "SM 224", + "SM224" + ], + "smiles": "CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3", + "atc_code": "P01BE02" + }, + "CHEMBL1863513_approved": { + "title": "INGENOL MEBUTATE", + "synonyms": [ + "AGN 204332", + "AGN204332", + "INGENOL MEBUTATE", + "PEP-005", + "PEP005", + "Picato" + ], + "smiles": "C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C", + "atc_code": "D06BX02" + }, + "CHEMBL1779710_approved": { + "title": "EVOGLIPTIN", + "synonyms": [ + "DA-1229", + "DA1229", + "EVOGLIPTIN" + ], + "smiles": "CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F", + "atc_code": "A10BH07" + }, + "CHEMBL1196_approved": { + "title": "PROPARACAINE", + "synonyms": [ + "Alcaine", + "Kainair", + "Ophthaine", + "Ophthetic", + "PROPARACAINE", + "PROXYMETACAINE", + "Paracaine", + "Proparacaine" + ], + "smiles": "CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N", + "atc_code": "S01HA04" + }, + "CHEMBL404108_approved": { + "title": "LUMIRACOXIB", + "synonyms": [ + "COX-189", + "LUMIRACOXIB", + "PREXIGE" + ], + "smiles": "Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1", + "atc_code": "M01AH06" + }, + "CHEMBL990_approved": { + "title": "BUTENAFINE", + "synonyms": [ + "BUTENAFINE", + "Butenafine", + "Mentax", + "Mentax-TC" + ], + "smiles": "CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12", + "atc_code": "D01AE23" + }, + "CHEMBL3545184_approved": { + "title": "VELCALCETIDE", + "synonyms": [ + "AMG-416", + "AMG416", + "ETELCALCETIDE", + "KAI-4169", + "ONO-5163", + "PARSABIV", + "TELCALCETIDE", + "VELCALCETIDE", + "Velcalcetide" + ], + "smiles": "CC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O", + "atc_code": "H05BX04" + }, + "CHEMBL2103873_approved": { + "title": "MACITENTAN", + "synonyms": [ + "ACT 064992", + "ACT-064992", + "MACITENTAN", + "Opsumit" + ], + "smiles": "CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1", + "atc_code": "C02KX04" + }, + "CHEMBL1628227_approved": { + "title": "DOXEPIN", + "synonyms": [ + "DOXEPIN", + "Doxepin", + "P-3693A", + "SINEPIN", + "SINEQUAN", + "Zonalon" + ], + "smiles": "CN(C)CCC=C1c2ccccc2COc2ccccc21", + "atc_code": "D04AX01 | N06AA12" + }, + "CHEMBL422_approved": { + "title": "TRIFLUOPERAZINE", + "synonyms": [ + "AMYLOZINE", + "APO-TRIFLUOPERAZINE", + "FLURAZINE", + "NSC-17474", + "NSC-46061", + "RP-7623", + "STELAZINE", + "STELAZINE FTE", + "TRIFLUOPERAZINE", + "Trifluoperazine" + ], + "smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", + "atc_code": "N05AB06" + }, + "CHEMBL537_approved": { + "title": "HYDROQUINONE", + "synonyms": [ + "CHEBI:17594", + "CHEMBL537", + "HYDROQUINONE", + "Hydroquinone", + "NCI-C55834", + "NSC-9247" + ], + "smiles": "Oc1ccc(O)cc1", + "atc_code": "D11AX11" + }, + "CHEMBL1354_approved": { + "title": "SODIUM ACETATE", + "synonyms": [ + "ACETIC ACID, SODIUM SALT (1:1)", + "E-262(I)", + "E262", + "FEMA NO. 3024", + "INS NO.262(I)", + "INS-262(I)", + "NSC-77459", + "SODIUM ACETATE", + "SODIUM ACETATE (3H2O)", + "SODIUM ACETATE HYDRATE", + "SODIUM ACETATE TRIHYDRATE", + "SODIUM ACETATE, ANHYDROUS", + "SODIUM ACETATE,ANHYDROUS", + "Sodium Acetate", + "Sodium acetate, anhydrous" + ], + "smiles": "CC(=O)[O-].[Na+]", + "atc_code": "B05XA08" + }, + "CHEMBL1908906_approved": { + "title": "FLORBETABEN", + "synonyms": [ + "FLORBETABEN", + "FLORBETABEN UNLABELLED" + ], + "smiles": "CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1", + "atc_code": null + }, + "CHEMBL1306_approved": { + "title": "TERCONAZOLE", + "synonyms": [ + "FUNGISTAT", + "Fungistat", + "Gyno-Terazol", + "NSC-331942", + "Panlomyc", + "R 42470", + "R-42,470", + "R-42470", + "TERAZOL 3", + "TERAZOL 7", + "TERCONAZOLE", + "TERCOSPOR", + "TERMAYAZOLE", + "TRIACONAZOLE", + "Terazol", + "Triaconazole" + ], + "smiles": "CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", + "atc_code": "G01AG02" + }, + "CHEMBL2105745_approved": { + "title": "GLYCEROL PHENYLBUTYRATE", + "synonyms": [ + "GLYCEROL PHENYLBUTYRATE", + "HPN-100", + "HPN100", + "Ravicti" + ], + "smiles": "O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1", + "atc_code": "A16AX09" + }, + "CHEMBL2364638_approved": { + "title": "UBROGEPANT", + "synonyms": [ + "MK-1602", + "UBRELVY", + "UBROGEPANT", + "UBROGEPANT ANHYDROUS", + "Ubrogepant" + ], + "smiles": "C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F", + "atc_code": "N02CD04" + }, + "CHEMBL1679_approved": { + "title": "LEUCOVORIN", + "synonyms": [ + "LEUCOVORIN", + "Leucovorin" + ], + "smiles": "Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O", + "atc_code": null + }, + "CHEMBL4297516_approved": { + "title": "LURBINECTEDIN", + "synonyms": [ + "LURBINECTEDIN", + "PM-01183", + "PM-1183", + "PM01183", + "PM1183", + "TRYPTAMICIDIN", + "ZEPSYRE", + "Zepzelca" + ], + "smiles": "COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4", + "atc_code": "L01XX69" + }, + "CHEMBL1644_approved": { + "title": "CEFADROXIL", + "synonyms": [ + "ANHYDROUS CEFADROXIL", + "BAXAN", + "BL-S578", + "CEFADROXIL", + "CEFADROXIL (AS MONOHYDRATE)", + "CEFADROXIL ANHYDROUS", + "CEFADROXIL HYDRATE", + "CEFADROXIL MONOHYDRATE", + "Cefadrops", + "Cefadroxil", + "Cefadroxil/cefadroxil hemihydrate", + "Cefatabs", + "DURACEF", + "DURICEF", + "MJF 11567-3", + "MJF-11567-3", + "NSC-756664", + "ULTRACEF" + ], + "smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", + "atc_code": "J01DB05" + }, + "CHEMBL1533_approved": { + "title": "DESOGESTREL", + "synonyms": [ + "AIZEA", + "CERAZETTE", + "CERELLE", + "DESOGESTREL", + "DESOMONO", + "FEANOLLA", + "MIRCETTE", + "NACREZ", + "ORG 2969", + "ORG-2969", + "ZELLETA" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC", + "atc_code": "G03AC09" + }, + "CHEMBL1983350_approved": { + "title": "STIRIPENTOL", + "synonyms": [ + "BCX 2600", + "BCX-2600", + "Diacomit", + "STIRIPENTOL" + ], + "smiles": "CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2", + "atc_code": "N03AX17" + }, + "CHEMBL1200406_approved": { + "title": "DIMENHYDRINATE", + "synonyms": [ + "ANTEMIN", + "CHLORANAUTINE", + "DIMENHYDRINATE", + "DRAMAMINE", + "NSC-117855", + "VERTIGO-VOMEX S" + ], + "smiles": "CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O", + "atc_code": "R06AA11" + }, + "CHEMBL1360_approved": { + "title": "ATRACURIUM", + "synonyms": [ + "ATRACURIUM", + "ATRACURIUM CATION", + "ATRACURIUM ION", + "Atracurium", + "Tracrium" + ], + "smiles": "COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC", + "atc_code": "M03AC04" + }, + "CHEMBL3301675_approved": { + "title": "LINACLOTIDE", + "synonyms": [ + "ASP-0456", + "ASP0456", + "Constella", + "LINACLOTIDE", + "LINZESS", + "MD-1100" + ], + "smiles": "C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2", + "atc_code": "A06AX04" + }, + "CHEMBL1201776_approved": { + "title": "TAPENTADOL", + "synonyms": [ + "BN 200 (BASE)", + "BN-200", + "CG-5503", + "CG5503", + "CG5503 (BASE)", + "CG5503 IR", + "NSC-759619", + "TAPENTADOL" + ], + "smiles": "CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C", + "atc_code": "N02AX06" + }, + "CHEMBL2023898_approved": { + "title": "DACLATASVIR", + "synonyms": [ + "BMS 790052", + "BMS-790052", + "DACLATASVIR", + "DAKLINZA", + "EBP 883", + "EBP-883" + ], + "smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C", + "atc_code": "J05AP07" + }, + "CHEMBL455_approved": { + "title": "SULFACETAMIDE", + "synonyms": [ + "Bleph-10", + "Bleph-30", + "Cetamide", + "FML-S", + "Klaron", + "NSC-63871", + "Ocusulf-10", + "Ocusulf-30", + "SULF-10", + "SULF-15", + "SULFACETAMIDE", + "SULFACETAMIDUM", + "SULPHACETAMIDE", + "Sulfacel-15", + "Sulfacetamide", + "Sulfair-15", + "Sulster", + "Sulten-10", + "TRIPLE SULFA (SULFACETAMIDE)", + "UROSULFON" + ], + "smiles": "CC(=O)NS(=O)(=O)c1ccc(N)cc1", + "atc_code": "S01AB04 | D10AF06" + }, + "CHEMBL1619_approved": { + "title": "CLADRIBINE", + "synonyms": [ + "2-CDA", + "CLADARIBINE", + "CLADRIBINE", + "LEUSTAT", + "LEUSTATIN", + "LITAK", + "Leustatin", + "Mavenclad", + "NSC-05014", + "NSC-105014", + "NSC-105014-F", + "RWJ 26251", + "RWJ-26251" + ], + "smiles": "Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1", + "atc_code": "L01BB04 | L04AA40" + }, + "CHEMBL450_approved": { + "title": "METHARBITAL", + "synonyms": [ + "ENDIEMAL", + "GEMONIL", + "METHARBITAL", + "METHARBITAL CIII", + "METHARBITONE", + "Metharbital", + "NSC-27156" + ], + "smiles": "CCC1(CC)C(=O)NC(=O)N(C)C1=O", + "atc_code": "N03AA30" + }, + "CHEMBL4298128_approved": { + "title": "ELEXACAFTOR", + "synonyms": [ + "3-PYRIDINECARBOXAMIDE, N-((1,3-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL)-6-(3-(3,3,3-TRIFLUORO-2,2-DIMETHYLPROPOXY)-1H-PYRAZOL-1-YL)-2-((4S)-2,2,4-TRIMETHYL-1-PYRROLIDINYL)-", + "ELEXACAFTOR", + "VX-445" + ], + "smiles": "Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C", + "atc_code": null + }, + "CHEMBL898_approved": { + "title": "DIFLUNISAL", + "synonyms": [ + "DIFLUNISAL", + "DOLOBID", + "DOLOBID 500", + "NSC-756728" + ], + "smiles": "O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O", + "atc_code": "N02BA11" + }, + "CHEMBL15770_approved": { + "title": "SULINDAC", + "synonyms": [ + "ARTHROCINE", + "ARTRIBID", + "CLINORIL", + "MK-231", + "NSC-757344", + "SULINDAC" + ], + "smiles": "CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\\c1ccc([S+](C)[O-])cc1", + "atc_code": "M01AB02" + }, + "CHEMBL1399_approved": { + "title": "ANASTROZOLE", + "synonyms": [ + "ANASTROZOLE", + "ARIMIDEX", + "Arimidex", + "ICI D1033", + "ICI-D1033", + "NASTROSA", + "NSC-719344", + "NSC-759855", + "RVG-106400", + "ZD-1033", + "ZD1033" + ], + "smiles": "CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1", + "atc_code": "L02BG03" + }, + "CHEMBL3545432_approved": { + "title": "IXAZOMIB CITRATE", + "synonyms": [ + "IXAZOMIB CITRATE", + "MLN-9708", + "MLN9708", + "Ninlaro" + ], + "smiles": "CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1", + "atc_code": null + }, + "CHEMBL1256786_approved": { + "title": "FORMOTEROL", + "synonyms": [ + "FORMOTEROL", + "Foradil", + "Formoterol" + ], + "smiles": "COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1", + "atc_code": "R03AC13 | R03CC15" + }, + "CHEMBL395429_approved": { + "title": "OXYTOCIN", + "synonyms": [ + "ALPHA-HYPOPHAMINE", + "ENDOPITUITRINA", + "INTERTOCINE S", + "OXYTOCIN", + "OXYTOCINUM", + "Orasthin", + "PITOCIN", + "SYNTOCINON", + "SYNTOMETRINE", + "TNX-1900", + "TNX1900", + "TTA-121" + ], + "smiles": "CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O", + "atc_code": "H01BB02" + }, + "CHEMBL1201284_approved": { + "title": "CINACALCET", + "synonyms": [ + "AMG 073", + "AMG-073", + "AMG073", + "CINACALCET", + "KRN-1493", + "KRN1493" + ], + "smiles": "C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12", + "atc_code": "H05BX01" + }, + "CHEMBL2106119_approved": { + "title": "CALCIUM GLUCONATE", + "synonyms": [ + "CALCAREA GLUCONICA", + "CALCII GLUCONAS", + "CALCIUM D-GLUCONATE MONOHYDRATE", + "CALCIUM DI-GLUCONATE", + "CALCIUM GLUCONATE", + "CALCIUM GLUCONATE ANHYDROUS", + "CALCIUM GLUCONATE HYDRATE", + "CALCIUM GLUCONATE IN SODIUM CHLORIDE", + "CALCIUM GLUCONATE MONOHYDRATE", + "CALCIUM GLUCONATE, ANHYDROUS", + "E-578", + "H-F ANTIDOTE", + "INS NO.578", + "INS-578", + "NSC-744619" + ], + "smiles": "O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2]", + "atc_code": "A12AA03 | D11AX03" + }, + "CHEMBL1764_approved": { + "title": "LEVOMEPROMAZINE", + "synonyms": [ + "CL 36467", + "CL 39743", + "CL-36467", + "CL-39743", + "LEVOMEPROMAZINE", + "LEVOPROME", + "Levomepromazine", + "METHOTRIMEPRAZINE", + "Methotrimeprazine", + "N05AA02", + "NEOZINE", + "NIRVAN", + "NSC-226516", + "Nirvan", + "RP 7044", + "RP-7044", + "SK&F 5116", + "SK&F-5116", + "Tisercin", + "XP-03", + "XP03" + ], + "smiles": "COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2", + "atc_code": "N05AA02" + }, + "CHEMBL177_approved": { + "title": "AMIKACIN", + "synonyms": [ + "AMIKACIN", + "AMIKACINUM", + "Amikacin", + "Amikin", + "BAY 41-6551", + "LUKADIN", + "NSC-177001", + "POTENTOX" + ], + "smiles": "NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O", + "atc_code": "S01AA21 | D06AX12 | J01GB06" + }, + "CHEMBL1177_approved": { + "title": "PEMOLINE", + "synonyms": [ + "AZOKSODON", + "AZOXODON", + "AZOXODONE", + "CENTRAMIN", + "CYLERT", + "DANTROMIN", + "DELTAMIN", + "DELTAMINE", + "FENOXAZOL", + "HYTON", + "HYTON ASA", + "KETHAMED", + "LA-956", + "NITAN", + "NSC-169499", + "NSC-25159", + "OKODON", + "PEMOLIN", + "PEMOLINE", + "PHENIMINOOXAZOLIDINONE", + "PHENOXAZOLE", + "PHENYLISOHYDANTOIN", + "PHENYLPSEUDOHYDANTOIN", + "PIOXOL", + "PONDEX", + "RONYL", + "SIGMADYN", + "SISTRA", + "STIMUL", + "STIMULOL", + "TRADON", + "TRADONE", + "VOLITAL", + "YH-1" + ], + "smiles": "NC1=NC(=O)C(c2ccccc2)O1", + "atc_code": "N06BA05" + }, + "CHEMBL1295_approved": { + "title": "BUTOCONAZOLE", + "synonyms": [ + "BUTOCONAZOLE", + "Butoconazole", + "GYNOFORT", + "Gynazole-1", + "NSC-758658" + ], + "smiles": "Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1", + "atc_code": "G01AF15" + }, + "CHEMBL95_approved": { + "title": "TACRINE", + "synonyms": [ + "TACRINAL", + "TACRINE", + "Tacrine" + ], + "smiles": "Nc1c2c(nc3ccccc13)CCCC2", + "atc_code": "N06DA01" + }, + "CHEMBL1489_approved": { + "title": "AZACITIDINE", + "synonyms": [ + "5-AZACITIDINE", + "AZACITIDINE", + "Azacitidine Accord", + "LADAKAMYCIN", + "NSC-102816", + "ONUREG", + "U-18,496", + "U-18496", + "VIDAZA", + "Vidaza" + ], + "smiles": "Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1", + "atc_code": "L01BC07" + }, + "CHEMBL1237132_approved": { + "title": "CLEVIDIPINE", + "synonyms": [ + "CLEVIDEPINE", + "CLEVIDEPINE BUTYRATE", + "CLEVIDIPINE", + "CLEVIPREX" + ], + "smiles": "CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl", + "atc_code": "C08CA16" + }, + "CHEMBL46_approved": { + "title": "ONDANSETRON", + "synonyms": [ + "A04AA01", + "Desmethylondansetron", + "EUR-1025", + "GR-38032", + "GR-38032F", + "NSC-757870", + "ONDANSETRON", + "Ondansetron", + "ZOFRAN ODT", + "ZUPLENZ", + "Zofran" + ], + "smiles": "Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O", + "atc_code": "A04AA01" + }, + "CHEMBL1346_approved": { + "title": "DARIFENACIN", + "synonyms": [ + "DARIFENACIN", + "DARIFENACIN EXTENDED RELEASE", + "Darifenacin", + "Enablex", + "UK-88525" + ], + "smiles": "NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1", + "atc_code": "G04BD10" + }, + "CHEMBL730_approved": { + "title": "NITROGLYCERIN", + "synonyms": [ + "C01DA02", + "CHLORMETHINE OXIDE HYDROCHLORIDE", + "CORO-NITRO", + "DEPONIT 10", + "DEPONIT 5", + "DILUTED NITROGLYCERIN", + "GLONOINUM", + "GLYCERYL TRINITRATE", + "GLYCERYL TRINITRATE SOLUTION", + "GLYTRIN", + "GONITRO", + "Glyceryl Trinitrate", + "IMX-150", + "LENITRAL 7.5", + "MECHLORETHAMINE OXIDE HCL", + "MINITRAN", + "MINITRAN 10", + "MINITRAN 15", + "MINITRAN 5", + "MITOMEN", + "MUSTRON", + "NATIROSE", + "NITORA", + "NITRIDERM TTS", + "NITRO IV", + "NITRO-BID", + "NITRO-DUR", + "NITRO-MACK RET", + "NITROCINE", + "NITROCONTIN CONTINUS", + "NITROGLYCERIN", + "NITROGLYCERIN TABLETS", + "NITROL", + "NITROLINGUAL", + "NITROLINGUAL PUMPSPRAY", + "NITROMIN", + "NITROMIN HYDROCHLORIDE", + "NITROMIST", + "NITRONAL", + "NITROSTAT", + "Nitroglycerin", + "PERCUTOL", + "RECTIV", + "RECTOGESIC", + "SUSCARD BUCCAL", + "SUSTAC", + "TRANSDERM-NITRO", + "TRANSIDERM-NITRO 10", + "TRANSIDERM-NITRO 5", + "TRIDIL", + "TRINITRIN", + "TRINITRIN TABLETS", + "TRINITRINE", + "TRINTEK 10", + "TRINTEK 15", + "TRINTEK 5", + "Transderm-Nitro" + ], + "smiles": "O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]", + "atc_code": "C01DA52 | C05AE01 | C01DA02" + }, + "CHEMBL1201046_approved": { + "title": "CEFORANIDE", + "synonyms": [ + "BL-S786", + "CEFORANIDE", + "NSC-760049", + "PRECEF" + ], + "smiles": "NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12", + "atc_code": "J01DC11" + }, + "CHEMBL1440_approved": { + "title": "TETRACYCLINE", + "synonyms": [ + "ACHROMYCIN V", + "Achromycin", + "Cyclopar", + "E701", + "ECONOMYCIN", + "Liquamycin", + "NSC-108579", + "PANMYCIN", + "SUPRAMYCIN", + "SUSTAMYCIN", + "TETRABID ORGANON", + "TETRACYCLINE", + "Tetracycline", + "Tetracyn", + "Vetquamycin" + ], + "smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12", + "atc_code": "D06AA04 | S03AA02 | S01AA09 | S02AA08 | A01AB13 | J01AA07" + }, + "CHEMBL267495_approved": { + "title": "NALFURAFINE", + "synonyms": [ + "MT-9938", + "NALFURAFINE" + ], + "smiles": "CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5", + "atc_code": "V03AX02" + }, + "CHEMBL1353_approved": { + "title": "SODIUM BICARBONATE", + "synonyms": [ + "B1654", + "BAKING SODA", + "BICARBONATE OF SODA", + "Baking Soda", + "CARBONIC ACID MONOSODIUM SALT", + "CARBONIC ACID SODIUM SALT (1:1)", + "E-500(II)", + "E500", + "GENITRON TP-BCH 51051", + "HYDROCEROL ESC 5671", + "INS NO.500(II)", + "INS-500(II)", + "Monosodium Carbonate", + "NABIC", + "NATRII HYDROGENOCARBONAS", + "NATRUM BICARBONICUM", + "NSC-134031", + "NURSE HARVEYS", + "Neut", + "S-BICARB", + "S-BICARB SF", + "SODIBIC", + "SODIUM ACID CARBONATE", + "SODIUM BICARBONATE", + "SODIUM BICARBONATE ANHYDROUS", + "Soda Mint", + "Sodium Bicarbonate", + "THAMICARB" + ], + "smiles": "O=C([O-])O.[Na+]", + "atc_code": "B05XA02 | B05CB04" + }, + "CHEMBL565_approved": { + "title": "CLOFIBRATE", + "synonyms": [ + "ATROMID-S", + "AY-61123", + "CHLORFENISATE", + "CLOFIBRATE", + "ETHYL P-CHLOROPHENOXYISOBUTYRATE", + "ICI 28257", + "ICI-28257", + "NSC-79389" + ], + "smiles": "CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1", + "atc_code": "C10AB01" + }, + "CHEMBL855_approved": { + "title": "TRIPROLIDINE", + "synonyms": [ + "Actahist", + "Actidil", + "Actifed", + "Allerfed", + "Corphed", + "Histafed", + "Myfed", + "Myidyl", + "TRIPROLIDINE", + "Trilitron", + "Triphed", + "Triprolidine" + ], + "smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2ccccn2)cc1", + "atc_code": "R06AX07" + }, + "CHEMBL589586_approved": { + "title": "MONOMETHYL FUMARATE", + "synonyms": [ + "Bafiertam", + "FUMARIC ACID MONOMETHYL ESTER", + "MONOMETHYL FUMARATE", + "Methyl Fumarate", + "NSC-523835" + ], + "smiles": "COC(=O)/C=C/C(=O)O", + "atc_code": null + }, + "CHEMBL1201134_approved": { + "title": "LUBIPROSTONE", + "synonyms": [ + "AMITIZA", + "LUBIPROSTONE", + "RU-0211" + ], + "smiles": "CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1", + "atc_code": "A06AX03" + }, + "CHEMBL2048028_approved": { + "title": "LIFITEGRAST", + "synonyms": [ + "LIFITEGRAST", + "SAR 1118", + "SAR-1118", + "SHP-606", + "SHP606", + "XIIDRA" + ], + "smiles": "CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1", + "atc_code": "S01XA25" + }, + "CHEMBL826_approved": { + "title": "ENOXACIN", + "synonyms": [ + "AT-2266", + "CI-919", + "COMPRECIN", + "ENOXACIN", + "Flumark", + "NSC-629661", + "NSC-758416", + "PD 107779", + "PD-107779", + "PENETREX" + ], + "smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21", + "atc_code": "J01MA04" + }, + "CHEMBL897_approved": { + "title": "PROBENECID", + "synonyms": [ + "BENEMID", + "BENURYL", + "HC 5006", + "NSC-18786", + "P-(DIPROPYLSULFAMOYL)BENZOIC ACID", + "PROBALAN", + "PROBENATE", + "PROBENECID", + "PROBENECIDUM", + "Probampicin", + "Probecid", + "Probenecid" + ], + "smiles": "CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1", + "atc_code": "M04AB01" + }, + "CHEMBL1201182_approved": { + "title": "TEMSIROLIMUS", + "synonyms": [ + "CCI-779", + "TEMSIROLIMUS", + "Torisel" + ], + "smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", + "atc_code": "L01EG01" + }, + "CHEMBL1670_approved": { + "title": "MITOTANE", + "synonyms": [ + "CB 313", + "CB-313", + "CHLODITAN", + "CHLODITHANE", + "Lysodren", + "MITOTAN", + "MITOTANE", + "NSC-38721", + "O,P'-DDD", + "O,P'-DDD,O P'-TDE", + "O,P'-TDE", + "OPDDD", + "OPEPRIM" + ], + "smiles": "Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1", + "atc_code": "L01XX23" + }, + "CHEMBL484785_approved": { + "title": "CRISABOROLE", + "synonyms": [ + "AN-2728", + "AN2728", + "CRISABOROLE", + "EUCRISA", + "Staquis" + ], + "smiles": "N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1", + "atc_code": "D11AH06" + }, + "CHEMBL267345_approved": { + "title": "AMPHOTERICIN B", + "synonyms": [ + "ABELCET", + "ABELCET, LIPOSOMAL AMPHOTERICIN B", + "AMBIL", + "AMBISOME", + "AMOPHOTERICIN B", + "AMPHO-MORONAL", + "AMPHOTEC", + "AMPHOTERCIN B", + "AMPHOTERICIN", + "AMPHOTERICIN B", + "AMPHOTERICIN B DEOXYCHOLATE", + "AMPHOTERICIN B LIPID COMPLEX", + "AMPHOTERICIN B LIPOSOMAL", + "AMPHOTERICIN B LIPOSOMAL COMPLEX", + "AMPHOTERICIN B LIPOSOME", + "AMPHOTERICIN B, LIPOSOME", + "AMPHOTERICINE B", + "AMPHOTERICINUM B", + "AMPHOTERICITIN B", + "AMPHOTOCERIN", + "AMPHOTREICIN B", + "AMPOTERICIN B", + "FUNGILIN", + "FUNGILIN IN ORABASE", + "FUNGIZONE", + "HALIZON", + "NSC-527017" + ], + "smiles": "C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O", + "atc_code": "J02AA01 | A01AB04 | A07AA07 | G01AA03" + }, + "CHEMBL1899801_approved": { + "title": "PERFLENAPENT", + "synonyms": [ + "ECHOGEN", + "EchoGen", + "FC41-12 (PERFLENAPENT/PERFLISOPENT MIXTURE)", + "NVX-108", + "PERFLENAPENT" + ], + "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", + "atc_code": "V08DA03" + }, + "CHEMBL705_approved": { + "title": "ALITRETINOIN", + "synonyms": [ + "9-CIS RETINOIC ACID", + "9-CIS-RETINOIC ACID", + "AGN 192013", + "AGN-192013", + "AGN192013", + "ALITRETINOIN", + "ALRT-1057", + "ALRT1057", + "BAL-4079", + "LG-100057", + "LG100057", + "LGD-1057", + "LGD1057", + "NSC-659772", + "Panretin", + "RETINOIC ACID 9-CIS-FORM", + "TOCTINO" + ], + "smiles": "CC1=C(/C=C/C(C)=C\\C=C\\C(C)=C\\C(=O)O)C(C)(C)CCC1", + "atc_code": "D11AH04 | L01XF02" + }, + "CHEMBL3301612_approved": { + "title": "ENCORAFENIB", + "synonyms": [ + "Braftovi", + "ENCORAFENIB", + "Encorafenib", + "LGX-818", + "LGX818", + "NVP-LGX-818-NXA", + "NVP-LGX818", + "NVP-LGX818-NXA" + ], + "smiles": "COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1", + "atc_code": "L01EC03" + }, + "CHEMBL637_approved": { + "title": "VENLAFAXINE", + "synonyms": [ + "ALVENTA XL", + "AMPHERO XL", + "BONILUX XL", + "DEPEFEX XL", + "EFECTIN", + "EFEXOR", + "EFEXOR XL", + "Effexor", + "FORAVEN XL", + "KANGHONG", + "MENTAVEN XL", + "NSC-758676", + "POLITID XL", + "RANFAXINE XL", + "RODOMEL XL", + "SUNVENIZ XL", + "TARDCAPS XL", + "TIFAXIN XL", + "TONPULAR XL", + "TREVILOR", + "TRIXAT XL", + "VAXALIN XL", + "VELAFAX", + "VENAXX XL", + "VENLABLUE XL", + "VENLADEX XL", + "VENLAFAXINE", + "VENLALIC XL", + "VENLANEO XL", + "VENLOR", + "VENSIR XL", + "VEXARIN XL", + "VIEPAX", + "VIEPAX XL", + "Venlafaxine", + "WINFEX XL" + ], + "smiles": "COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1", + "atc_code": "N06AX16" + }, + "CHEMBL2338675_approved": { + "title": "FOSDENOPTERIN", + "synonyms": [ + "ALXN-1101 ANHYDROUS FREE BASE", + "ALXN1101", + "C(PMP)", + "CYCLIC PYRANOPTERIN MONOPHOSPHATE", + "FOSDENOPTERIN", + "PRECURSOR Z" + ], + "smiles": "Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2", + "atc_code": "A16AX19" + }, + "CHEMBL267936_approved": { + "title": "MECAMYLAMINE", + "synonyms": [ + "MECAMYLAMINE" + ], + "smiles": "CNC1(C)C2CCC(C2)C1(C)C", + "atc_code": "C02BB01" + }, + "CHEMBL451887_approved": { + "title": "CARFILZOMIB", + "synonyms": [ + "CARFILZOMIB", + "Kyprolis", + "NSC-758252", + "PR-171" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1", + "atc_code": "L01XG02" + }, + "CHEMBL1042_approved": { + "title": "CHOLECALCIFEROL", + "synonyms": [ + "7-DEHYDROCHOLESTEROL, ACTIVATED", + "ACCRETE D3", + "ACIFEROL D3", + "ADCAL-D3", + "AK R215 COMPONENT COLECALCIFEROL", + "AK-R215 COMPONENT COLECALCIFEROL", + "AVITICOL", + "BIO-VITAMIN D3", + "BIOLIFE VITAMIN D3", + "CACIT D3", + "CALCEOS", + "CALCI-D", + "CALCICHEW D3", + "CALCICHEW D3 FTE", + "CALCICHEW D3 ONCE DAILY", + "CALDRINK D3", + "CALFOVIT D3", + "CHOLECALCIFEROL", + "COLECAL D3", + "COLECALCIFEROL", + "COLECALCIFEROLUM", + "COLEKAL-D3", + "COLEVIT D3", + "CUBICOLE D3", + "Cholecalciferol", + "Colecalciferol", + "D-MAX", + "D-TRACETTEN", + "D-VIT3", + "D3 LEMON MELTS", + "D3-50", + "DEKRISTOL", + "DELSTEROL", + "DELTA-D", + "DEPARAL", + "DESUNIN", + "DLUX 400", + "Dihydrocholesterol", + "E-D3", + "EBIVIT", + "EVACAL D3", + "FULTIUM DAILY D3", + "FULTIUM-D3", + "HUX D3", + "INVITA D3", + "ISO D3", + "KORA LIQUID", + "NATECAL D3", + "NATURE'S REMEDY VITAMIN D3", + "NEO-D", + "NPHD3", + "NSC-375571", + "OSTEOCAPS D3", + "PLENACHOL", + "PRO D3", + "PRO D3 FOLIC", + "PRO D3 FORTE", + "PROVITINA", + "RICKETON", + "ROYALVIT D3", + "STEXEROL-D3", + "STIVIT-D3", + "SUNVIT-D3 1,000", + "SUNVIT-D3 10,000", + "SUNVIT-D3 2,000", + "SUNVIT-D3 20,000", + "SUNVIT-D3 3,000", + "SUNVIT-D3 400", + "SUNVIT-D3 5,000", + "SUNVIT-D3 50,000", + "SUNVIT-D3 800", + "SYNERVIT-D3", + "THEICAL D-3", + "THORENS", + "VIGANTOL", + "VIGANTOLETTEN", + "VIGANTOLETTEN 500", + "VIT D3 STREULI", + "VITA-D3", + "VITAMIN D", + "VITAMIN D (CHOLECALCIFEROL)", + "VITAMIN D ASSAY SYSTEM SUITABILITY", + "VITAMIN D-3", + "VITAMIN D3", + "VITAMIN D3 (AS CHOLECALCIFEROL)", + "Vitamin D 3", + "ZYMAD" + ], + "smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12", + "atc_code": "A11CC05" + }, + "CHEMBL4297585_approved": { + "title": "TRIHEPTANOIN", + "synonyms": [ + "DERMOFEEL TC 7", + "DERMOFEEL TC-7", + "DUB THG", + "Dojolvi", + "HEPTANOIN, TRI-", + "LANOL 37 T", + "RADIAMULS 2375", + "TRIENANTHOIN", + "TRIHEPTANOIC GLYCERIDE", + "TRIHEPTANOIN", + "TRIOENANTHOIN", + "UX-007", + "UX007" + ], + "smiles": "CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC", + "atc_code": "A16AX17" + }, + "CHEMBL3545985_approved": { + "title": "BENZPHETAMINE", + "synonyms": [ + "BENZFETAMINE" + ], + "smiles": "C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1", + "atc_code": null + }, + "CHEMBL977_approved": { + "title": "HYDROCORTISONE HEMISUCCINATE ANHYDROUS", + "synonyms": [ + "HYDROCORTISONE HEMISUCCINATE ANHYDROUS", + "Hydrocortisone Hemisuccinate", + "Hydrocortisone succinate", + "NSC-7576", + "ORISTAR HCSHS" + ], + "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O", + "atc_code": null + }, + "CHEMBL1477_approved": { + "title": "CERIVASTATIN", + "synonyms": [ + "Baycol", + "CERIVASTATIN", + "Cerivastatin", + "LIPOBAY", + "Lipobay" + ], + "smiles": "COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1", + "atc_code": "C10AA06" + }, + "CHEMBL585_approved": { + "title": "TRIAMTERENE", + "synonyms": [ + "DYRENIUM", + "DYTAC", + "NSC-639359", + "NSC-77625", + "SK&F 8542", + "SK&F-8542", + "SK-8542", + "TRIAMTERENE" + ], + "smiles": "Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1", + "atc_code": "C03DB02" + }, + "CHEMBL1068_approved": { + "title": "OXCARBAZEPINE", + "synonyms": [ + "GP-47680", + "KIN-493", + "NSC-758693", + "OXCARBAMAZEPINE", + "OXCARBAZEPINE", + "OXTELLAR XR", + "SPN-804", + "TRILEPTAL" + ], + "smiles": "NC(=O)N1c2ccccc2CC(=O)c2ccccc21", + "atc_code": "N03AF02" + }, + "CHEMBL1180725_approved": { + "title": "PROPANTHELINE", + "synonyms": [ + "PROPANTHELINE", + "PROPANTHELINE CATION", + "PROPANTHELINE ION", + "Propantheline" + ], + "smiles": "CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C", + "atc_code": "A03AB05" + }, + "CHEMBL1201193_approved": { + "title": "LEVOBUPIVACAINE", + "synonyms": [ + "(-)-BUPIVACAINE", + "(S)-BUPIVACAINE", + "BUPIVACAINE (-)-FORM", + "BUPIVACAINE, (-)-", + "BUPIVACAINE, (S)-", + "L-BUPIVACAINE", + "LEVOBUPIVACAINE", + "NOVABUPI" + ], + "smiles": "CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C", + "atc_code": "N01BB10" + }, + "CHEMBL1059_approved": { + "title": "PREGABALIN", + "synonyms": [ + "ALZAIN", + "AXALID", + "CI-1008", + "LECAENT", + "LYRICA", + "LYRICA CR", + "NSC-759256", + "PD-144723", + "PREGABALIN", + "PREGABALIN MYLAN", + "PREGABALIN SANDOZ", + "PREGABALIN SANDOZ GMBH", + "PREGABALIN ZENTIVA", + "Pregabalin Mylan", + "REWISCA", + "VRONOGABIC", + "YNP-1807" + ], + "smiles": "CC(C)C[C@H](CN)CC(=O)O", + "atc_code": "N02BF02" + }, + "CHEMBL1201271_approved": { + "title": "BUCLIZINE", + "synonyms": [ + "BUCLIZINE", + "Buclizine" + ], + "smiles": "CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1", + "atc_code": "R06AE51 | R06AE01" + }, + "CHEMBL1094_approved": { + "title": "FELBAMATE", + "synonyms": [ + "ADD-03055", + "FELBAMATE", + "FELBATOL", + "NSC-759866", + "TALOXA", + "W-554" + ], + "smiles": "NC(=O)OCC(COC(N)=O)c1ccccc1", + "atc_code": "N03AX10" + }, + "CHEMBL1201264_approved": { + "title": "METHANTHELINE", + "synonyms": [ + "METHANTHELINE", + "METHANTHELINE CATION", + "METHANTHELINE ION", + "METHANTHELINIUM", + "Methantheline" + ], + "smiles": "CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21", + "atc_code": "A03AB07" + }, + "CHEMBL1200598_approved": { + "title": "DIETHYLSTILBESTROL DIPHOSPHATE", + "synonyms": [ + "DIETHYLSTILBESTROL DIPHOSPHATE", + "FOSFESTROL", + "Fosfestrol", + "STILPHOSTROL" + ], + "smiles": "CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1", + "atc_code": "L02AA04" + }, + "CHEMBL252556_approved": { + "title": "IDEBENONE", + "synonyms": [ + "HYDROXYDECYL UBIQUINONE", + "IDEBENONE", + "NSC-759228", + "ORISTAR HDU", + "Raxone", + "SOVRIMA" + ], + "smiles": "COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O", + "atc_code": "N06BX13" + }, + "CHEMBL222813_approved": { + "title": "ZANAMIVIR", + "synonyms": [ + "GG-167", + "GG167", + "GR 121167X", + "GR-121167", + "GR-121167X", + "RELENZA", + "Relenza", + "ZANAMIVIR" + ], + "smiles": "CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N", + "atc_code": "J05AH01" + }, + "CHEMBL196_approved": { + "title": "ASCORBIC ACID", + "synonyms": [ + "3-KETO-L-GULOFURANOLACTONE", + "ACIDUM ASCORBICUM", + "ASCOLTIN", + "ASCOR", + "ASCORBATE", + "ASCORBIC ACID", + "ASCORBIC ACID (VIT C)", + "ASCORBIC ACID, L-", + "ASCORBICUM ACIDUM", + "ASCUR", + "Ascorbic Acid", + "BASSETT'S", + "CEVITAMIC ACID", + "Cecon", + "Cenolate", + "E-300", + "E300", + "FEMA NO. 2109", + "HALIBORANGE", + "INS NO.300", + "INS-300", + "L-ASCORBATE", + "L-ASCORBIC ACID", + "NSC-218455", + "NSC-33832", + "REDOXON", + "REDOXON C", + "REDOXON CHEW-C", + "REDOXON SLOW RELEASE", + "TOP C", + "VITAL LIFE", + "VITAMIN C", + "VITAMIN C (AS ASCORBIC ACID)", + "Vitamin C" + ], + "smiles": "O=C1O[C@H]([C@@H](O)CO)C(O)=C1O", + "atc_code": "G01AD03 | A11GA01 | S01XA15" + }, + "CHEMBL2181927_approved": { + "title": "FINERENONE", + "synonyms": [ + "BAY 94-8862", + "BAY-94-8862", + "BAY94-8862", + "FINERENONE", + "Finerenone", + "Kerendia" + ], + "smiles": "CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2", + "atc_code": "C03DA05" + }, + "CHEMBL863_approved": { + "title": "CYSTEINE", + "synonyms": [ + "CYSTEINE", + "CYSTEINUM", + "Cysteine", + "Cysteine Hydrochloride", + "E 920", + "E920", + "E921", + "FEMA NO. 3263", + "L-CYSTEINE", + "NSC-8746" + ], + "smiles": "N[C@@H](CS)C(=O)O", + "atc_code": null + }, + "CHEMBL4065616_approved": { + "title": "REMDESIVIR", + "synonyms": [ + "GS 5734", + "GS-5734", + "REMDESIVIR", + "Veklury" + ], + "smiles": "CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1", + "atc_code": "J05AB16" + }, + "CHEMBL1161681_approved": { + "title": "NITROUS ACID", + "synonyms": [ + "NITROUS ACID", + "Nitrite (No2-)" + ], + "smiles": "O=NO", + "atc_code": null + }, + "CHEMBL1077896_approved": { + "title": "ROPIVACAINE", + "synonyms": [ + "ROPIVACAINE", + "ROPIVICAINE", + "TLC-590", + "TLC590" + ], + "smiles": "CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C", + "atc_code": "N01BB09" + }, + "CHEMBL1444_approved": { + "title": "LETROZOLE", + "synonyms": [ + "CGS 20267", + "CGS-20267", + "FEMARA", + "LETROZOLE", + "NSC-759652" + ], + "smiles": "N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1", + "atc_code": "L02BG04" + }, + "CHEMBL1734_approved": { + "title": "SOLIFENACIN", + "synonyms": [ + "NSC-759144", + "SOLIFENACIN", + "Solifenacin", + "VESICARE" + ], + "smiles": "O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1", + "atc_code": "G04BD08" + }, + "CHEMBL2355051_approved": { + "title": "CLOMIPHENE", + "synonyms": [ + "CLOMIFENE", + "CLOMIPHENE", + "Clomiphene" + ], + "smiles": "CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1", + "atc_code": "G03GB02" + }, + "CHEMBL1096562_approved": { + "title": "METHYL AMINOLEVULINATE", + "synonyms": [ + "METHYL 5-AMINOLEVULINATE", + "METHYL AMINOLAEVULINATE", + "METHYL AMINOLEVULINATE", + "METHYL-5-AMINOLEVULINATE", + "METHYLAMINOLEVULINATE", + "METVIX", + "Methyl aminolevulinate" + ], + "smiles": "COC(=O)CCC(=O)CN", + "atc_code": "L01XD03" + }, + "CHEMBL1423_approved": { + "title": "PIMOZIDE", + "synonyms": [ + "MCN-JR-6238", + "NSC-170984", + "ORAP", + "PIMOZIDE", + "R 623", + "R 6238", + "R-623", + "R-6238" + ], + "smiles": "O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1", + "atc_code": "N05AG02" + }, + "CHEMBL818_approved": { + "title": "IOBENGUANE", + "synonyms": [ + "IOBENGUANE", + "IOBENGUANE (127-I)", + "Iobenguane" + ], + "smiles": "N=C(N)NCc1cccc(I)c1", + "atc_code": null + }, + "CHEMBL1661_approved": { + "title": "LACTITOL", + "synonyms": [ + "BLI-400", + "D-LACTITOL", + "D-LACTITOL MONOHYDRATE", + "E-966", + "FINLAC DC", + "IMPORTAL", + "INS NO.966", + "INS-966", + "LACTITOL", + "LACTITOL ACM 50", + "LACTITOL ANHYDROUS", + "LACTITOL HYDRATE", + "LACTITOL MONOHYDRATE", + "LACTOBIOSIT", + "LACTOSIT", + "LACTOSITOL", + "LACTY (SACCHARIDE)", + "MILCHEN", + "MIRUHEN", + "NSC-231323", + "NSC-759131", + "PIZENSY" + ], + "smiles": "OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO", + "atc_code": "A06AD12" + }, + "CHEMBL1200558_approved": { + "title": "BACITRACIN", + "synonyms": [ + "Albac 50", + "BACI-RX", + "BACIGUENT", + "BACIIM", + "BACILLIQUIN", + "BACITRACIN", + "BACITRACIN(NON-INJECTABLE)", + "BACITRACIN, STERILE", + "BACITRACINUM", + "Baciferm 50", + "E700", + "FORTRACIN", + "NSC-755905", + "PARENTRACIN", + "PENITRACIN", + "TOPITRACIN", + "TROPITRACIN", + "ZUTRACIN" + ], + "smiles": "CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1", + "atc_code": "D06AX05 | J01XX10 | R02AB04" + }, + "CHEMBL1093_approved": { + "title": "ARTICAINE", + "synonyms": [ + "40 045", + "40-045", + "ARTICAINE", + "Articaine", + "CARTICAINE", + "HOE 045", + "HOE-045", + "Septocaine" + ], + "smiles": "CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC", + "atc_code": "N01BB58 | N01BB08" + }, + "CHEMBL76_approved": { + "title": "CHLOROQUINE", + "synonyms": [ + "Aralen", + "CHLOROCHINE", + "CHLOROQUINE", + "Chloroquine", + "NSC-187208" + ], + "smiles": "CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12", + "atc_code": "P01BA01" + }, + "CHEMBL4594350_approved": { + "title": "ADAGRASIB", + "synonyms": [ + "ADAGRASIB", + "KRAS G12C INHIBITOR MRTX849", + "KRAZATI", + "MRTX-849", + "MRTX849" + ], + "smiles": "C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N", + "atc_code": "L01XX77" + }, + "CHEMBL128_approved": { + "title": "SUMATRIPTAN", + "synonyms": [ + "DFN-11", + "DFN-11 (SUMATRIPTAN INJECTION)", + "IMITREX", + "N02CC01", + "SUMATRIPTAN", + "TOSYMRA" + ], + "smiles": "CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1", + "atc_code": "N02CC01" + }, + "CHEMBL1738797_approved": { + "title": "ALECTINIB", + "synonyms": [ + "AF-802", + "AF802", + "ALECENSA", + "ALECTINIB", + "CH-5424802", + "CH5424802", + "RO-5424802", + "RO5424802" + ], + "smiles": "CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O", + "atc_code": "L01ED03" + }, + "CHEMBL3187365_approved": { + "title": "ASENAPINE", + "synonyms": [ + "ASENAPINE", + "SECUADO", + "SYCREST" + ], + "smiles": "CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1", + "atc_code": "N05AH05" + }, + "CHEMBL799_approved": { + "title": "CILOSTAZOL", + "synonyms": [ + "CILOSTAZOL", + "NSC-758936", + "OPC-13013", + "OPC-21", + "PLETAL" + ], + "smiles": "O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1", + "atc_code": "B01AC23" + }, + "CHEMBL1287853_approved": { + "title": "FEDRATINIB", + "synonyms": [ + "FEDRATINIB", + "Fedratinib", + "SAR-302503", + "SAR302503", + "TG-101348", + "TG101348" + ], + "smiles": "Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1", + "atc_code": "L01EJ02" + }, + "CHEMBL1200375_approved": { + "title": "EDETATE CALCIUM DISODIUM ANHYDROUS", + "synonyms": [ + "ADSORBONAC", + "ANTALLIN", + "CALCIUM DISODIUM EDTA", + "CALCIUM TITRIPLEX", + "Calcium Disodium EDTA", + "Calcium Disodium Edetate", + "Calcium Disodium Versenate", + "Calcium EDTA", + "Calcium Edetate Sodium", + "DETOXAMIN", + "DISODIUM CALCIUM EDTA", + "E-385", + "E385", + "EDETAMINE", + "EDETATE CALCIUM DISODIUM ANHYDROUS", + "EDTA CALCIUM DISODIUM SALT", + "EDTA Calcium Disodium", + "Edthamil", + "INS NO.385", + "INS-385", + "MOSATIL", + "NSC-310151", + "SORMETAL", + "Sodium Calcium Edetate", + "Sodium Calciumedetate", + "TETAZINE", + "Versene CA" + ], + "smiles": "O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+]", + "atc_code": null + }, + "CHEMBL1201774_approved": { + "title": "SAPROPTERIN", + "synonyms": [ + "6R-BH4", + "DAPROPTERIN", + "DAPROTERIN", + "R-THBP", + "SAPROPTERIN", + "TETRAHYDROBIOPTERIN" + ], + "smiles": "C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1", + "atc_code": "A16AX07" + }, + "CHEMBL491571_approved": { + "title": "DORIPENEM", + "synonyms": [ + "DORIBAX", + "DORIPENEM", + "Finibax", + "S-4661" + ], + "smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12", + "atc_code": "J01DH04" + }, + "CHEMBL1149_approved": { + "title": "LEVOCARNITINE", + "synonyms": [ + "BICARNESINE", + "BIOCARN", + "CARNITINE DL-FORM HYDROCHLORIDE", + "CARNITINE HCL", + "CARNITINE HYDROCHLORIDE", + "CARNITINE HYDROCHLORIDE, DL-", + "CARNITOR", + "CARNITOR SF", + "Carnitine", + "DL-CARNITINE HYDROCHLORIDE", + "LEVOCARNITINE", + "LEVOCARNITINE CHLORIDE", + "LEVOCARNITINE HCL", + "LEVOCARNITINE HYDROCHLORIDE", + "NSC-759132", + "ORISTAR LCH", + "Vitamin Bt" + ], + "smiles": "C[N+](C)(C)C[C@H](O)CC(=O)[O-]", + "atc_code": "A16AA01" + }, + "CHEMBL3039582_approved": { + "title": "SECRETIN", + "synonyms": [ + "SECRETIN", + "SECRETIN (HUMAN, PORCINE, ETC.)", + "SECRETIN, UNSPECIFIED", + "SECRETIN-FERRING" + ], + "smiles": "CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)C", + "atc_code": "V04CK01" + }, + "CHEMBL90_approved": { + "title": "HISTAMINE", + "synonyms": [ + ".BETA.-AMINOETHYLGLYOXALINE", + "ERGAMINE", + "ERGOTIDINE", + "HISTAMINE", + "Histamine", + "NSC-33792" + ], + "smiles": "NCCc1c[nH]cn1", + "atc_code": null + }, + "CHEMBL487253_approved": { + "title": "BENDAMUSTINE", + "synonyms": [ + "BENDAMUSTINE" + ], + "smiles": "Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21", + "atc_code": "L01AA09" + }, + "CHEMBL3989859_approved": { + "title": "TOCOPHEROL ACETATE", + "synonyms": [ + ".ALPHA.-TOCOPHEROL ACETATE", + "AEC TOCOPHERYL ACETATE", + "ALPHA TOCOPHERYL ACETATE", + "COPHEROL 1250 C", + "COVITOL 1100 C", + "E-TABS", + "E-VICOTRAT", + "EPHYNAL", + "JEEN VITAMIN E", + "TINODERM E", + "TOCOPHEROL ACETATE", + "TOCOPHEROL ACETATE, UNSPECIFIED", + "TOCOPHERYL", + "TOCOPHERYL ACETATE", + "TOCOPHERYL ACETATE,ALPHA", + "UNIVIT-E ACETATE", + "VITAMIN E ACETATE" + ], + "smiles": "CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2", + "atc_code": null + }, + "CHEMBL1430_approved": { + "title": "PENICILLAMINE", + "synonyms": [ + "CUPRIMINE", + "D Mercaptovaline", + "D Penicillamine", + "D-3-MERCAPTOVALINE", + "DEPEN", + "DIMETHYLCYSTEINE", + "DISTAMINE", + "NSC-758421", + "NSC-81549", + "PENICILLAMINE", + "Trolovol" + ], + "smiles": "CC(C)(S)[C@@H](N)C(=O)O", + "atc_code": "M01CC01" + }, + "CHEMBL1350_approved": { + "title": "TILUDRONIC ACID", + "synonyms": [ + "SKELID", + "SR 41319", + "SR-41319", + "Skelid", + "TILUDRONATE", + "TILUDRONIC ACID", + "Tiludronate", + "Tiludronic Acid" + ], + "smiles": "O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O", + "atc_code": "M05BA05" + }, + "CHEMBL2095208_approved": { + "title": "COBICISTAT", + "synonyms": [ + "COBICISTAT", + "COBICISTAT ON SILICON DIOXIDE", + "COBICISTAT, (R,R,S)-", + "GS-9350", + "Tybost" + ], + "smiles": "CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1", + "atc_code": "V03AX03" + }, + "CHEMBL1091250_approved": { + "title": "INDIGOTINDISULFONATE", + "synonyms": [ + "5,5'-INDIGOTINDISULFONIC ACID", + "BLUE X", + "INDIGO CARMINE ACID", + "INDIGOTINDISULFONATE", + "INDIGOTINDISULFONIC ACID", + "NSC-8646", + "SAXON BLUE" + ], + "smiles": "O=C1/C(=C2\\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21", + "atc_code": null + }, + "CHEMBL1389_approved": { + "title": "LEVONORGESTREL", + "synonyms": [ + "ATHENTIA NEXT", + "BAY86-5028", + "EMERRES", + "EMERRES UNA", + "EZINELLE", + "FALLBACK SOLO", + "HER STYLE", + "ISTERANDA", + "JADELLE", + "JAYDESS", + "KYLEENA", + "LEVONELLE", + "LEVONELLE ONE STEP", + "LEVONELLE-2", + "LEVONORGESTREL", + "LEVONORGESTRELUM", + "LEVOSERT", + "LILETTA", + "MICROVAL", + "MIRENA", + "NORGESTON", + "NORGESTREL (-)-FORM", + "NORGESTREL, (-)-", + "NORPLANT", + "NSC-744007", + "Norplant ii", + "Norplant system", + "OPCICON ONE-STEP", + "Ovrette", + "PLAN B ONE-STEP", + "POSTINOR-2", + "Plan b", + "SKYLA", + "UPOSTELLE", + "WY-5104" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", + "atc_code": "G03AD01 | G03AC03" + }, + "CHEMBL127_approved": { + "title": "MEROPENEM", + "synonyms": [ + "ICI 194,660", + "ICI-194660", + "MERONEM", + "MEROPENEM", + "MEROPENEM (AS TRIHYDRATE)", + "MEROPENEM ANHYDROUS", + "MEROPENEM HYDRATE", + "MEROPENEM TRIHYDRATE", + "MEROPENEM, ANHYDROUS", + "MERREM", + "MERREM I.V.", + "Merrem i.v.", + "NSC-759621", + "SM-7338" + ], + "smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12", + "atc_code": "J01DH02" + }, + "CHEMBL1200_approved": { + "title": "BENOXINATE", + "synonyms": [ + "Benoxinate", + "CONJUCAIN", + "DORSACAIN", + "MONOFREE OXYBUPROCAINE", + "OXYBUCAINE", + "OXYBUPROCAINE" + ], + "smiles": "CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N", + "atc_code": "D04AB03 | S01HA02" + }, + "CHEMBL2104415_approved": { + "title": "MOXIDECTIN", + "synonyms": [ + "CL 301,423", + "CL-301,423", + "CL-301423", + "MOXIDECTIN", + "MOXIDECTIN FOR VETERINARY USE", + "NSC-760424" + ], + "smiles": "CO/N=C1\\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\\C)C[C@@H](C)/C=C/C=C4\\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C", + "atc_code": "P02CX03" + }, + "CHEMBL477772_approved": { + "title": "PAZOPANIB", + "synonyms": [ + "GW786034", + "NSC-752782", + "PAZOPANIB", + "VOTRIENT" + ], + "smiles": "Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O", + "atc_code": "L01EX03" + }, + "CHEMBL373742_approved": { + "title": "VASOPRESSIN", + "synonyms": [ + "ARGININE VASOPRESSIN", + "ARGIPRESSIN OR LYPRESSIN", + "Arginine Vasopressin", + "Beta-Hypophamine", + "Leiormone", + "Pitressin", + "VASOPRESSIN", + "VASOPRESSIN INJECTION", + "VASOPRESSIN, UNSPECIFIED", + "VASOSTRICT", + "Vasophysin" + ], + "smiles": "N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", + "atc_code": null + }, + "CHEMBL4071161_approved": { + "title": "TIRABRUTINIB", + "synonyms": [ + "GS-4059", + "ONO-4059", + "ONO-4059(FREE BASE)", + "TIRABRUTINIB", + "VELEXBRU" + ], + "smiles": "CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", + "atc_code": null + }, + "CHEMBL1554_approved": { + "title": "DACTINOMYCIN", + "synonyms": [ + "ACTINOMYCIN C1", + "ACTINOMYCIN D", + "ACTINOMYCIN I1", + "ACTINOMYCIN IV", + "ACTINOMYCIN X1", + "ACTINOMYCIN-D", + "COSMEGEN", + "COSMEGEN LYOVAC", + "DACTINOMYCIN", + "DACTINOMYCINUM", + "DILACTONE ACTINOMYCIN D ACID", + "GNF-PF-2290", + "GNF-Pf-1977", + "MERACTINOMYCIN", + "NCI-C04682", + "NSC-3053", + "ONCOSTATIN K" + ], + "smiles": "Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O", + "atc_code": "L01DA01" + }, + "CHEMBL1741134_approved": { + "title": "PICOSULFURIC ACID", + "synonyms": [ + "PICOSULFATE" + ], + "smiles": "O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1", + "atc_code": null + }, + "CHEMBL44657_approved": { + "title": "ETOPOSIDE", + "synonyms": [ + "ETOPOSIDE", + "ETOPOSIDE RESOLUTION MIXTURE", + "ETOPOSIDUM", + "NSC-141540", + "SINTOPOZID", + "TOPOSAR", + "VEPESID", + "VP-16-213" + ], + "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O", + "atc_code": "L01CB01" + }, + "CHEMBL500_approved": { + "title": "PINDOLOL", + "synonyms": [ + "(RS)-PINDOLOL", + "APO-PINDOL", + "BETADREN", + "BETAPINDOL", + "BLOCKLIN-L", + "CALVISKEN", + "CARVISKEN", + "DECRETEN", + "DL-LB-46", + "DL-PINDOLOL", + "DURAPINDOL", + "GLAUCO-VISKEN", + "LB-46", + "NSC-757276", + "PECTOBLOC", + "PINBETOL", + "PINDOLOL", + "PRINODOLOL", + "PYNASTIN", + "VISKEN" + ], + "smiles": "CC(C)NCC(O)COc1cccc2[nH]ccc12", + "atc_code": "C07AA03" + }, + "CHEMBL1752_approved": { + "title": "DYPHYLLINE", + "synonyms": [ + "DILOR", + "DILOR-400", + "DIPROPHYLLINE", + "DYPHILLINE", + "DYPHYLLINE", + "Dyphylline", + "GLYPHYLLINE", + "LUFYLLIN", + "NEOTHYLLINE", + "NSC-14305" + ], + "smiles": "Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O", + "atc_code": "R03DA51 | R03DA01" + }, + "CHEMBL2111112_approved": { + "title": "VERNAKALANT", + "synonyms": [ + "VERNAKALANT" + ], + "smiles": "COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC", + "atc_code": "C01BG11" + }, + "CHEMBL802_approved": { + "title": "MINOXIDIL", + "synonyms": [ + "ALOPEXIL", + "ALOSTIL", + "LONITEN", + "LONOLOX", + "MEN'S ROGAINE", + "MINODYL", + "MINOXIDIL", + "MINOXIDIL (FOR MEN)", + "MINOXIDIL (FOR WOMEN)", + "MINOXIDIL EXTRA STRENGTH (FOR MEN)", + "MINOXIMEN", + "MINTOP", + "NORMOXIDIL", + "NSC-757106", + "PIERMINOX", + "PREXIDIL", + "REGAINE FOR MEN", + "REGAINE FOR WOMEN", + "ROGAINE (FOR MEN)", + "ROGAINE (FOR WOMEN)", + "ROGAINE EXTRA STRENGTH (FOR MEN)", + "THEROXIDIL", + "TRICOXIDIL", + "U-10,858", + "U-10858", + "WOMEN'S ROGAINE" + ], + "smiles": "Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]", + "atc_code": "C02DC01 | D11AX01" + }, + "CHEMBL237500_approved": { + "title": "LINAGLIPTIN", + "synonyms": [ + "BI 1356", + "BI 1356 BS", + "BI-1356", + "BI-1356-BS", + "BI-1356BS", + "BS 1356 BS", + "BS-1356-BS", + "LINAGLIPTIN", + "TRADJENTA", + "TRAZENTA", + "Trajenta" + ], + "smiles": "CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C", + "atc_code": "A10BH05" + }, + "CHEMBL429_approved": { + "title": "LABETALOL", + "synonyms": [ + "AH-5158A FREE BASE", + "IBIDOMIDE", + "LABETALOL", + "Labetalol", + "Normodyne", + "Normozide", + "SCH-15719W FREE BASE", + "Trandate" + ], + "smiles": "CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1", + "atc_code": "C07AG01" + }, + "CHEMBL103_approved": { + "title": "PROGESTERONE", + "synonyms": [ + "CRINONE", + "CYCLOGEST", + "ENDOMETRIN", + "Gesterol", + "LUTIGEST", + "MILPROSA", + "NSC-64377", + "NSC-9704", + "PROCHIEVE", + "PROGESTA-CARE", + "PROGESTASERT", + "PROGESTERONE", + "PROGESTERONE, MICRONIZED", + "PROGESTERONUM", + "PROMETRIUM", + "Progesterone", + "Progestin", + "Regumate", + "SERENITY FOR WOMEN", + "Syngestrone", + "U 3672", + "UTROGESTAN" + ], + "smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "G03DA04" + }, + "CHEMBL1201236_approved": { + "title": "CARBIDOPA ANHYDROUS", + "synonyms": [ + "CARBIDOPA, L- ANHYDROUS" + ], + "smiles": "C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O", + "atc_code": null + }, + "CHEMBL1581_approved": { + "title": "PERINDOPRIL", + "synonyms": [ + "MCN-A-2833", + "PERINDOPRIL", + "Perindopril", + "S-9490" + ], + "smiles": "CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC", + "atc_code": "C09AA04" + }, + "CHEMBL435298_approved": { + "title": "ESFLURBIPROFEN", + "synonyms": [ + "BTS 24332", + "BTS-24332", + "ESFLURBIPROFEN", + "FLURBIPROFEN, (S)-" + ], + "smiles": "C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1", + "atc_code": "M02AA29" + }, + "CHEMBL273575_approved": { + "title": "NOMIFENSINE", + "synonyms": [ + "LINAMIPHEN", + "NOMIFENSIN", + "NOMIFENSINE" + ], + "smiles": "CN1Cc2c(N)cccc2C(c2ccccc2)C1", + "atc_code": "N06AX04" + }, + "CHEMBL454_approved": { + "title": "BUTALBITAL", + "synonyms": [ + "ALISOBUMAL", + "ALLYLBARBITURIC ACID", + "BUTALBITAL", + "BUTALBITAL CIII", + "ITOBARBITAL", + "TETRALLOBARBITAL" + ], + "smiles": "C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O", + "atc_code": null + }, + "CHEMBL1594_approved": { + "title": "PANTOTHENIC ACID", + "synonyms": [ + "CALC PANTOTH", + "CANTOPAL", + "CHICK ANTIDERMATITIS FACTOR", + "PANTOTHENATE", + "PANTOTHENIC ACID", + "PANTOTHENIC ACID ", + "PANTOTHENIC ACID (D)", + "Pantothenic Acid", + "VITAMIN B-5", + "VITAMIN B5", + "Vitamin B 5" + ], + "smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O", + "atc_code": null + }, + "CHEMBL2103883_approved": { + "title": "AVATROMBOPAG", + "synonyms": [ + "AKR-501", + "AVATROMBOPAG", + "E-5501", + "E5501", + "YM-301477", + "YM-477" + ], + "smiles": "O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1", + "atc_code": "B02BX08" + }, + "CHEMBL1337_approved": { + "title": "NITISINONE", + "synonyms": [ + "NITISINONE", + "Nityr", + "ORFADIN", + "SC-0735" + ], + "smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]", + "atc_code": "A16AX04" + }, + "CHEMBL282468_approved": { + "title": "CHOLINE CHLORIDE", + "synonyms": [ + "CHOLINE CHLORIDE", + "FEMA NO. 4500", + "HORMOCLINE", + "LIPOTRIL", + "NSC-402838", + "PARESAN" + ], + "smiles": "C[N+](C)(C)CCO.[Cl-]", + "atc_code": null + }, + "CHEMBL534_approved": { + "title": "KETOTIFEN", + "synonyms": [ + "(R)-Ketotifen", + "KETOTIFEN", + "Ketotifen" + ], + "smiles": "CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1", + "atc_code": "R06AX17 | S01GX08" + }, + "CHEMBL1200959_approved": { + "title": "METHDILAZINE", + "synonyms": [ + "METHDILAZINE", + "TACARYL" + ], + "smiles": "CN1CCC(CN2c3ccccc3Sc3ccccc32)C1", + "atc_code": "R06AD04" + }, + "CHEMBL728_approved": { + "title": "PROCHLORPERAZINE", + "synonyms": [ + "COMPAZINE", + "COMPRO", + "PROCHLORPERAZINE", + "PROCHLORPERAZINE MESILATE", + "PROCHLORPERAZINE MESYLATE", + "Prochlorperazine", + "STEMETIL EFF" + ], + "smiles": "CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", + "atc_code": "N05AB04" + }, + "CHEMBL319144_approved": { + "title": "MINODRONIC ACID", + "synonyms": [ + "MINODRONATE", + "MINODRONIC ACID", + "NSC-725590", + "ONO-5920", + "YM 529", + "YM-529", + "YM529" + ], + "smiles": "O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O", + "atc_code": null + }, + "CHEMBL317052_approved": { + "title": "REGADENOSON ANHYDROUS", + "synonyms": [ + "Lexiscan", + "REGADENOSON ANHYDROUS" + ], + "smiles": "CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1", + "atc_code": null + }, + "CHEMBL298470_approved": { + "title": "TAFENOQUINE", + "synonyms": [ + "SB-252263-AAB", + "TAFENOQUINE", + "WR 238605" + ], + "smiles": "COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1", + "atc_code": "P01BA07" + }, + "CHEMBL1200633_approved": { + "title": "IVERMECTIN", + "synonyms": [ + "22,23-DIHYDRO C-076B1", + "22,23-DIHYDROABAMECTIN", + "22,23-DIHYDROAVERMECTIN B1", + "22,23-DIHYDROAVERMECTIN B1A", + "ACAREXX", + "BIMECTIN", + "BOVINET", + "CARDOMEC", + "CARDOTEK 30", + "CD-5024", + "CD5024", + "CEVAMEC", + "Cardomec", + "DIHYDROAVERMECTIN B1A", + "EQUIMEC", + "EQVALAN", + "Eqvalan", + "HEARTGARD", + "HYVERMECTIN", + "Heartguard", + "IVECTIN", + "IVERMECTIN", + "IVERMECTIN B1A", + "IVERMECTIN COMPONENT B1A", + "IVERTIN", + "IVOMEC", + "IVOSINT", + "Ivomec", + "JETAMEC", + "L 640471", + "L-640471", + "MECTIZAN", + "MK 933", + "MK-933", + "Mectizan", + "NORAMECTIN", + "NOROMECTIN", + "NSC-755843", + "ORAMEC", + "PANDEX", + "PHOENECTIN", + "SKLICE", + "SOOLANTRA", + "STROMECTOL", + "UVEMEC", + "VERMIC", + "VETMEC", + "ZIMECTERIN" + ], + "smiles": "CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\\C=C\\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O", + "atc_code": "P02CF01 | D11AX22" + }, + "CHEMBL908_approved": { + "title": "CHLORPROTHIXENE", + "synonyms": [ + "CHLORPROTHIXENE", + "N-714", + "N-714RO 4-0403", + "NSC-18720", + "RO 4-0403", + "RO-4-0403", + "RO-40403", + "TARACTAN", + "TRUXAL" + ], + "smiles": "CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21", + "atc_code": "N05AF03" + }, + "CHEMBL1040_approved": { + "title": "CALCIFEDIOL ANHYDROUS", + "synonyms": [ + "25-Hydroxycholecalciferol (Calcifediol)", + "CALCIFEDIOL, ANHYDROUS", + "CALCIFEDIOL,ANHYDROUS" + ], + "smiles": "C=C1CC[C@H](O)C/C1=C/C=C1\\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12", + "atc_code": null + }, + "CHEMBL79_approved": { + "title": "LIDOCAINE", + "synonyms": [ + "ALGRX 3268", + "ALGRX-3268", + "ALPHACAINE", + "Anestacon", + "DENTIPATCH", + "Embolex", + "Iontocaine", + "LIDOCAINE", + "LIDOCAINUM", + "LIDODERM", + "LIGNOCAINE", + "LMX 4", + "Lidocaine", + "Lidocaton", + "Lidopen", + "Lignocaine HCl", + "Lignostab", + "NSC-40030", + "ORAQIX", + "Octocaine", + "SOLARCAINE", + "VAGISIL", + "XYLESTESIN", + "XYLOCAINE", + "XYLODASE", + "XYLOTOX", + "ZTLIDO" + ], + "smiles": "CCN(CC)CC(=O)Nc1c(C)cccc1C", + "atc_code": "R02AD02 | D04AB01 | N01BB02 | S01HA07 | C01BB01 | N01BB52 | S02DA01 | C05AD01" + }, + "CHEMBL57_approved": { + "title": "NEVIRAPINE", + "synonyms": [ + "BIRG 0587", + "BIRG-0587", + "NEVIRAPINE", + "NEVIRAPINE ANHYDROUS", + "NEVIRAPINE TEVA", + "NEVIRAPINE, ANHYDROUS", + "NEVIRAPINUM ANHYDROUS", + "NSC-641530", + "VIRAMUNE XR", + "Viramune" + ], + "smiles": "Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", + "atc_code": "J05AG01" + }, + "CHEMBL911_approved": { + "title": "ZOLPIDEM", + "synonyms": [ + "Ambien", + "SANVAL", + "ZOLPIDEM", + "ZOLPIDEM CIV", + "Zolpidem" + ], + "smiles": "Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1", + "atc_code": "N05CF02" + }, + "CHEMBL3237547_approved": { + "title": "CEDAZURIDINE", + "synonyms": [ + "ASTX-727 COMPONENT CEDAZURIDINE", + "ASTX727 COMPONENT CEDAZURIDINE", + "CEDAZURIDINE", + "E-7727", + "E7727" + ], + "smiles": "O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F", + "atc_code": null + }, + "CHEMBL1771_approved": { + "title": "CLOPIDOGREL", + "synonyms": [ + "CLOPIDOGREL", + "CLOPIDOGREL 1A-PHARMA", + "CLOPIDOGREL ACINO", + "CLOPIDOGREL APOTEX", + "CLOPIDOGREL BENZENESULFONATE", + "CLOPIDOGREL BESILATE", + "CLOPIDOGREL BESYLATE", + "CLOPIDOGREL HEXAL", + "CLOPIDOGREL SANDOZ", + "CLOPIDOGREL-RATIOPHARM", + "Clopidogrel", + "GREPID", + "ISCOVER", + "NSC-758613", + "PLAVIX", + "R 130964", + "R-130964", + "SR 25990", + "SR-25990", + "ZYLLT" + ], + "smiles": "COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1", + "atc_code": "B01AC04" + }, + "CHEMBL15891_approved": { + "title": "LINDANE", + "synonyms": [ + "BENZENE HEXACHLORIDE GAMMA", + "BENZENE HEXACHLORIDE, GAMMA", + "ESODERM", + "GAMENE", + "GAMMA BENZENE HEXACHLORIDE", + "GAMMAHEXACHLORCYCLOHEXANE", + "Gamma Benzene Hydrochloride", + "Gammallin", + "Gammaxene", + "Gexane", + "HEXACHLORANE", + "HEXICIDE", + "KWELL", + "LINDANE", + "LINDANUM", + "LOREXANE", + "LOREXANE NO 3", + "NSC-755895", + "QUELLADA", + "SCABENE", + "gamma-Hexachlorocyclohexane" + ], + "smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl", + "atc_code": "P03AB02" + }, + "CHEMBL3099695_approved": { + "title": "OSILODROSTAT", + "synonyms": [ + "LCI-699", + "LCI-699-NX", + "LCI699", + "LCI699-NX", + "OSILODROSTAT" + ], + "smiles": "N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1", + "atc_code": "H02CA02" + }, + "CHEMBL1421_approved": { + "title": "DASATINIB", + "synonyms": [ + "BMS-354825", + "BMS-354825 HYDRATE", + "BMS-354825-03", + "DASATINIB", + "DASATINIB HYDRATE", + "DASATINIB MONOHYDRATE", + "Dasatinib Accordpharma", + "NSC-759877", + "SPRYCEL" + ], + "smiles": "Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1", + "atc_code": "L01EA02" + }, + "CHEMBL117785_approved": { + "title": "TETRABENAZINE", + "synonyms": [ + "NITOMAN", + "NSC-169886", + "REVOCON", + "RO 1-9569", + "RO-1-9569", + "RO-19569", + "TETMODIS", + "TETRABENAZINE", + "Tetrabenazine", + "XENAZINE", + "XENAZINE 25" + ], + "smiles": "COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2", + "atc_code": "N07XX06" + }, + "CHEMBL564085_approved": { + "title": "TROLEANDOMYCIN", + "synonyms": [ + "ACETYLOLEANDOMYCIN", + "NSC-108166", + "OLEANDOMYCIN (AS TROLEANDOMYCIN)", + "OLEANDOMYCIN TRIACETATE ESTER", + "TRIACETYLOLEANDOMYCIN", + "TROLEANDOMYCIN" + ], + "smiles": "CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O", + "atc_code": "J01FA08" + }, + "CHEMBL1908359_approved": { + "title": "SODIUM MONOFLUOROPHOSPHATE", + "synonyms": [ + "EXTRA-STRENGTH AIM", + "MONO-TRIDIN", + "NSC-248", + "SODIUM FLUOROPHOSPHATE", + "SODIUM MONOFLUOROPHOSPHATE", + "Sodium monofluorophosphate" + ], + "smiles": "O=P([O-])([O-])F.[Na+].[Na+]", + "atc_code": "A12CD02 | A01AA02" + }, + "CHEMBL1658_approved": { + "title": "RETAPAMULIN", + "synonyms": [ + "ALTABAX", + "Altargo", + "NSC-759885", + "RETAPAMULIN", + "SB 275833", + "SB-275833", + "SB275833" + ], + "smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", + "atc_code": "D06AX13" + }, + "CHEMBL408403_approved": { + "title": "ANGIOTENSIN II", + "synonyms": [ + "5-L-ISOLEUCINEANGIOTENSIN II", + "ANGIOTENSIN II", + "ANGIOTENSIN II (HUMAN TYPE)", + "ANGIOTENSIN II HUMAN", + "ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE", + "DELIVERT", + "LJPC-501" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O", + "atc_code": "C01CX09" + }, + "CHEMBL36506_approved": { + "title": "NOVOBIOCIN", + "synonyms": [ + "ALBAMYCIN T", + "Albamycin", + "Cathomycin", + "NOVOBIOCIN" + ], + "smiles": "CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C", + "atc_code": null + }, + "CHEMBL2111100_approved": { + "title": "MIFAMURTIDE ACID", + "synonyms": [ + "CGP-19835", + "MIFAMURTIDE FREE ACID ANHYDROUS" + ], + "smiles": "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC", + "atc_code": null + }, + "CHEMBL1101_approved": { + "title": "BIPERIDEN", + "synonyms": [ + "AKINETON-", + "Akineton", + "BIPERIDEN", + "BIPERIDENUM", + "Biperiden", + "KL 373", + "NSC-759145" + ], + "smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2", + "atc_code": "N04AA02" + }, + "CHEMBL2107360_approved": { + "title": "PALIPERIDONE PALMITATE", + "synonyms": [ + "Byannli (previously Paliperidone Janssen-Cilag International)", + "INVEGA SUSTENNA", + "INVEGA TRINZA", + "JNS-010", + "JNS010", + "PALIPERIDONE PALMITATE", + "PALPERIDONE PALMITATE", + "R-092670", + "R092670", + "RO-92670", + "RO92670" + ], + "smiles": "CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O", + "atc_code": null + }, + "CHEMBL742_approved": { + "title": "KETAMINE", + "synonyms": [ + "ANAKET V", + "CALYPSOL", + "CLORKETAM 1000", + "DL-KETAMINE", + "IMALGENE 1000", + "KETALAR", + "KETAMINE", + "KETASOL 100", + "Ketamine", + "NARKETAN", + "NSC-70151", + "PMI-150", + "TEKAM", + "URSOTAMIN", + "VETAKET" + ], + "smiles": "CNC1(c2ccccc2Cl)CCCCC1=O", + "atc_code": "N01AX03" + }, + "CHEMBL431_approved": { + "title": "SPIRAPRIL", + "synonyms": [ + "SPIRAPRIL", + "Spirapril" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2", + "atc_code": "C09AA11" + }, + "CHEMBL1201338_approved": { + "title": "CYCLOPENTOLATE", + "synonyms": [ + "BELL PENTOLATE", + "CYCLOPENTOLATE" + ], + "smiles": "CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1", + "atc_code": "S01FA54 | S01FA04" + }, + "CHEMBL967_approved": { + "title": "TEMAZEPAM", + "synonyms": [ + "(RS)-TEMAZEPAM", + "KENTEPAM", + "NORMISON", + "NSC-246303", + "RESTORIL", + "TEMAZ", + "TEMAZEPAM", + "TEMAZEPAM CIV", + "WY-3917" + ], + "smiles": "CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21", + "atc_code": "N05CD07" + }, + "CHEMBL3545110_approved": { + "title": "RIBOCICLIB", + "synonyms": [ + "LEE-011", + "LEE-011A", + "LEE011", + "LEE011A", + "NVP-LEE011", + "RIBOCICLIB", + "Ribociclib" + ], + "smiles": "CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1", + "atc_code": null + }, + "CHEMBL839_approved": { + "title": "CARTEOLOL", + "synonyms": [ + "CARTEOLOL", + "Carteolol", + "Cartrol", + "Ocupress" + ], + "smiles": "CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2", + "atc_code": "S01ED05 | C07AA15 | S01ED55" + }, + "CHEMBL95889_approved": { + "title": "BETAINE", + "synonyms": [ + "ABROMINE", + "Amversio", + "BETAINE", + "BETAINE ANHYDROUS", + "BETAINE, ANHYDROUS", + "Betaine", + "Betaine, anhydrous", + "CYSTADANE", + "Cystadane", + "FEMA NO. 4223", + "NSC-166511" + ], + "smiles": "C[N+](C)(C)CC(=O)O", + "atc_code": "A16AA06" + }, + "CHEMBL2105689_approved": { + "title": "LULICONAZOLE", + "synonyms": [ + "LULICON", + "LULICONAZOLE", + "LUZU", + "NND-502", + "PR-2699" + ], + "smiles": "N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1", + "atc_code": "D01AC18" + }, + "CHEMBL142635_approved": { + "title": "NAFTOPIDIL", + "synonyms": [ + "FLIVAS", + "NAFTOPIDIL", + "NSC-759293" + ], + "smiles": "COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1", + "atc_code": null + }, + "CHEMBL17157_approved": { + "title": "TERFENADINE", + "synonyms": [ + "ANTIHISTAMINE", + "HISTAFEN", + "HISTAFEN 120", + "NSC-665802", + "NSC-758627", + "RMI 9918", + "RMI-9918", + "SELDANE", + "TERFENADINE", + "TERFENOR", + "TERFENOR FTE", + "TERFEX", + "TERFINAX 120", + "TERFINAX 60", + "TRILUDAN", + "TRILUDAN FTE" + ], + "smiles": "CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1", + "atc_code": "R06AX12" + }, + "CHEMBL1655_approved": { + "title": "TOREMIFENE", + "synonyms": [ + "ACAPODENE", + "CHLORTAMOXIFEN", + "FARESTONE", + "GTX-006", + "J33.157K", + "TOREMIFENE", + "TOREMIPHENE", + "Toremifene" + ], + "smiles": "CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", + "atc_code": "L02BA02" + }, + "CHEMBL1484_approved": { + "title": "NICARDIPINE", + "synonyms": [ + "NICARDIPINE", + "NICARDIPINE (STN)", + "Nicardipine", + "PERPIDINE" + ], + "smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1", + "atc_code": "C08CA04" + }, + "CHEMBL887_approved": { + "title": "RASAGILINE", + "synonyms": [ + "AGN-1135", + "Azilect", + "NSC-759639", + "RASAGILINE", + "TV-1030" + ], + "smiles": "C#CCN[C@@H]1CCc2ccccc21", + "atc_code": "N04BD02" + }, + "CHEMBL1098_approved": { + "title": "BUPIVACAINE", + "synonyms": [ + "Anekain", + "BUCAINE", + "BUPIVACAINE", + "BUPIVACAINE LIPOSOME", + "EXPAREL", + "Exparel liposomal", + "LIPOSOMAL BUPIVACAINE", + "LIQ-865", + "LIQ865", + "Marcaine", + "POSIMIR", + "ROPIVACAINE HYDROCHLORIDE IMPURITY, BUPIVACAINE-", + "SKY-0402", + "SKY0402", + "Sensorcaine" + ], + "smiles": "CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C", + "atc_code": "N01BB01 | N01BB51" + }, + "CHEMBL1086440_approved": { + "title": "TRICLABENDAZOLE", + "synonyms": [ + "EGA230B", + "EGATEN", + "EGATEN TM", + "FASINEX", + "NSC-759250", + "NVP-EGA230", + "TRICLABENDAZOLE" + ], + "smiles": "CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1", + "atc_code": "P02BX04" + }, + "CHEMBL1680_approved": { + "title": "OCTREOTIDE", + "synonyms": [ + "OCTREOTIDE", + "Octreotide", + "SMS 201-995", + "SMS-201-995", + "SMS-995", + "SMS995" + ], + "smiles": "C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O", + "atc_code": "H01CB02" + }, + "CHEMBL1233_approved": { + "title": "CARISOPRODOL", + "synonyms": [ + "CARISOMA", + "CARISOPRODOL", + "CARISOPRODOL CIV", + "Carisoprodol", + "NSC-172124", + "RELA", + "SOMA" + ], + "smiles": "CCCC(C)(COC(N)=O)COC(=O)NC(C)C", + "atc_code": "M03BA72 | M03BA02 | M03BA52" + }, + "CHEMBL417_approved": { + "title": "EPIRUBICIN", + "synonyms": [ + "4'-EPI-ADRIAMYCIN", + "EPIADRIAMYCIN", + "EPIDOXORUBICIN", + "EPIRUBICIN", + "Ellence", + "Epirubicin", + "FARMORUBICIN", + "NSC-256942" + ], + "smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1", + "atc_code": "L01DB03" + }, + "CHEMBL642_approved": { + "title": "ACEBUTOLOL", + "synonyms": [ + "ACEBUTOLOL", + "Acebutolol", + "C07AB04", + "Sectral" + ], + "smiles": "CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1", + "atc_code": "C07AB04" + }, + "CHEMBL3137312_approved": { + "title": "DASABUVIR", + "synonyms": [ + "ABT-333", + "DASABUVIR" + ], + "smiles": "COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C", + "atc_code": "J05AP09" + }, + "CHEMBL344159_approved": { + "title": "TOLVAPTAN", + "synonyms": [ + "JYNARQUE", + "Jinarc", + "OPC-41061", + "OPC-41061(TOLVAPTAN)", + "SAMSCA", + "TOLVAPTAN" + ], + "smiles": "Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1", + "atc_code": "C03XA01" + }, + "CHEMBL692_approved": { + "title": "GLYCERIN", + "synonyms": [ + "E-422", + "E422", + "FEMA NO. 2525", + "GLYCERIN", + "GLYCERIN,ANHYDROUS", + "GLYCERINUM", + "GLYCEROL", + "GLYCEROL 85%", + "GLYCEROLUM", + "GLYCOGELATIN", + "Glycerin", + "Glycerol", + "INS NO.422", + "INS-422", + "KEYBELLS", + "M 314429", + "MONOCTANOIN COMPONENT D", + "Monoctanoin Component D", + "NIROLEX", + "NSC-9230", + "Optim", + "Osmoglyn", + "PZN 7474853", + "SENOKOT DIRECT RELIEF", + "TIXYLIX BABY", + "TIXYLIX TODDLER", + "TRYHYDROXYPROPANE", + "WATERHOUSE" + ], + "smiles": "OCC(O)CO", + "atc_code": "A06AX01 | A06AG04" + }, + "CHEMBL1201010_approved": { + "title": "FLUDROCORTISONE ACETATE", + "synonyms": [ + "Astonin", + "FLORINEF", + "FLUDROCORTISONE 21-ACETATE", + "FLUDROCORTISONE ACETATE", + "FLUDROCORTISONI ACETAS", + "FLUORHYDROCORTISONE ACETATE", + "FLUOROCORTISOL ACETATE", + "Fludrocortone", + "NSC-15186", + "PANOTILE", + "SCHEROFLURON" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "H02AA02" + }, + "CHEMBL570_approved": { + "title": "TRIFLUPROMAZINE", + "synonyms": [ + "FLUOPROMAZINE", + "Fluopromazine", + "Nivoman", + "TRIFLUPROMAZINE", + "Triflupromazine", + "VESPRIN", + "Vetame" + ], + "smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21", + "atc_code": "N05AA05" + }, + "CHEMBL2105760_approved": { + "title": "BREXPIPRAZOLE", + "synonyms": [ + "BREXPIPRAZOLE", + "OPC-34712", + "REXULTI", + "Rxulti" + ], + "smiles": "O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1", + "atc_code": "N05AX16" + }, + "CHEMBL33_approved": { + "title": "LEVOFLOXACIN ANHYDROUS", + "synonyms": [ + "Floxacin", + "Iquix", + "LEVOFLOXACIN", + "Levaquin", + "NSC-758709", + "OFLOXACIN S-(-)-FORM", + "Quixin" + ], + "smiles": "C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23", + "atc_code": null + }, + "CHEMBL513_approved": { + "title": "CARMUSTINE", + "synonyms": [ + "BCNU", + "BECENUN", + "BICNU", + "BISCHLOROETHYL NITROSOUREA", + "CAMUSTINE", + "CARMUBRIS", + "CARMUSTINE", + "Carmustine Obvius", + "DTI-015", + "FDA-0345", + "GLIADEL", + "NSC-409962", + "SK-27702", + "SRI-1720" + ], + "smiles": "O=NN(CCCl)C(=O)NCCCl", + "atc_code": "L01AD01" + }, + "CHEMBL167731_approved": { + "title": "PIXANTRONE", + "synonyms": [ + "BBR 2778", + "BBR-2778", + "BBR2778", + "PIXANTRONE" + ], + "smiles": "NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O", + "atc_code": "L01DB11" + }, + "CHEMBL41355_approved": { + "title": "EZOGABINE", + "synonyms": [ + "AWD-21360", + "AWD21-360", + "D-23129", + "EZOGABINE", + "GKE-841", + "GW-582892X", + "GW582892X", + "POTIGA", + "RETIGABINE", + "Trobalt", + "WAY-143841" + ], + "smiles": "CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N", + "atc_code": "N03AX21" + }, + "CHEMBL2018096_approved": { + "title": "IPRAGLIFLOZIN", + "synonyms": [ + "ASP-1941", + "IPRAGLIFLOZIN" + ], + "smiles": "OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O", + "atc_code": "A10BK05" + }, + "CHEMBL1447_approved": { + "title": "LINCOMYCIN", + "synonyms": [ + "LINCOLNENSIN", + "LINCOMYCIN", + "Lincomycin", + "U-10,149", + "U-10149" + ], + "smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)N(C)C1", + "atc_code": "J01FF02" + }, + "CHEMBL421_approved": { + "title": "SULFASALAZINE", + "synonyms": [ + "AZULFIDINE", + "AZULFIDINE EN-TABS", + "Azulfidine", + "Azulfidine EN", + "BENZOSULFA", + "COLIZINE", + "NSC-203730", + "NSC-667219", + "S.A.S.-500", + "SALAZOPYRIN", + "SALAZOPYRIN E.C.", + "SALAZOPYRIN-EN", + "SALAZOSULFAPYRIDINE", + "SALICYLAZOSULFAPYRIDINE", + "SAS-500", + "SULFASALAZINE", + "SULFASALAZINUM", + "SULFASALAZOPYRIDINE", + "SULPHASALAZINE", + "Salazosulfapyridine", + "Salicylazosulfapyridine", + "UCINE" + ], + "smiles": "O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O", + "atc_code": "A07EC01" + }, + "CHEMBL1169_approved": { + "title": "AMINOSALICYLIC ACID", + "synonyms": [ + "4-AMINOSALICYLIC ACID", + "AMINOSALICYLATE", + "AMINOSALICYLIC ACID", + "Aminosalicylic Acid", + "BENZOIC ACID, 4-AMINO-2-HYDROXY-", + "GRANUPAS", + "Granupas (previously Para-aminosalicylic acid Lucane)", + "NSC-2083", + "P-AMINOSALICYLIC ACID", + "PARA-AMINOSALICYLIC ACID", + "PARASAL", + "PAS", + "PASER", + "Paskalium", + "REZIPAS", + "Teebacin" + ], + "smiles": "Nc1ccc(C(=O)O)c(O)c1", + "atc_code": "J04AA01" + }, + "CHEMBL1200359_approved": { + "title": "SULFAMETER", + "synonyms": [ + "AHR-857", + "BAY-5400", + "Bayrena", + "NSC-683528", + "NSC-757874", + "SH-613", + "SULFAMETER", + "SULFAMETHOXYDIAZINE", + "SULFAMETHOXYPYRIMIDINE", + "SULFAMETIN", + "SULFAMETOXYDIAZINE", + "SULLA", + "SULPHAMETHOXYDIAZINE", + "Sulfametin", + "Sulfametoxydiazine", + "Sulphamethoxydiazine", + "ULTRAX", + "Ultrax" + ], + "smiles": "COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1", + "atc_code": "J01ED04" + }, + "CHEMBL448_approved": { + "title": "PENTOBARBITAL", + "synonyms": [ + "MEBUBARBITAL", + "MEBUMAL", + "NEMBUTAL", + "NSC-28708", + "PENTOBARBITAL", + "PENTOBARBITAL CALCIUM", + "PENTOBARBITAL CII", + "PENTOBARBITONE", + "Pentobarbital" + ], + "smiles": "CCCC(C)C1(CC)C(=O)NC(=O)NC1=O", + "atc_code": "N05CA01" + }, + "CHEMBL1200617_approved": { + "title": "RIMEXOLONE", + "synonyms": [ + "ORG 6216", + "ORG-6216", + "RIMEXOLON", + "RIMEXOLONE", + "VEXOL" + ], + "smiles": "CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "H02AB12 | S01BA13" + }, + "CHEMBL1201309_approved": { + "title": "NAFARELIN", + "synonyms": [ + "LHRH, 6(D-NAL(2))", + "NAFARELIN" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", + "atc_code": "H01CA02" + }, + "CHEMBL175247_approved": { + "title": "ORLISTAT", + "synonyms": [ + "ALLI", + "Alli (previously Orlistat GSK)", + "BEACITA", + "LIPSTATIN", + "NSC-758881", + "ORLIPASTAT", + "ORLISTAT", + "RO 18-0647/002", + "RO-180647-002", + "RO-180647002", + "TETRAHYDROLIPSTATIN", + "XENICAL" + ], + "smiles": "CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O", + "atc_code": "A08AB01" + }, + "CHEMBL788_approved": { + "title": "IDOXURIDINE", + "synonyms": [ + "5-IUDR", + "5IUDR", + "ALLERGAN 211", + "ALLERGAN-211", + "ALLERGAN211", + "Allergan 211", + "Allergan-211", + "DENDRID", + "HERPLEX", + "IDOX", + "IDOXURIDINE", + "IDOXURIDINUM", + "IDU", + "JODDEOXIURIDIN", + "KERECID", + "NSC-39661", + "OPHTHALMADINE", + "SK&F 14287", + "SK&F-14287", + "STOXIL" + ], + "smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I", + "atc_code": "D06BB01 | J05AB02 | S01AD01" + }, + "CHEMBL1455_approved": { + "title": "ALTRETAMINE", + "synonyms": [ + "ALTRETAMINE", + "HEXALEN", + "HEXAMETHYLMELAMINE", + "HEXASTAT", + "NSC-13875" + ], + "smiles": "CN(C)c1nc(N(C)C)nc(N(C)C)n1", + "atc_code": "L01XX03" + }, + "CHEMBL3707311_approved": { + "title": "VAMOROLONE", + "synonyms": [ + "9,11-DEHYDRO DEXAMETHASONE", + "9,11-DEHYDRODEXAMETHASONE ACETATE", + "Agamree", + "VAMOROLONE", + "VAMOROLONE ACETATE", + "VBP-15", + "VBP-15 FREE ALCOHOL" + ], + "smiles": "CCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C", + "atc_code": null + }, + "CHEMBL557555_approved": { + "title": "CIPROFIBRATE", + "synonyms": [ + "CIPROFIBRATE", + "MODALIM", + "NSC-759617", + "WIN 35833", + "WIN-35833" + ], + "smiles": "CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O", + "atc_code": "C10AB08" + }, + "CHEMBL569713_approved": { + "title": "SCOPOLAMINE", + "synonyms": [ + "Isoptpo Hyoscine", + "SCOPOLAMINE", + "TRANSDERM SCOP" + ], + "smiles": "CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12", + "atc_code": "S01FA02 | A04AD01 | A04AD51 | N05CM05" + }, + "CHEMBL646_approved": { + "title": "TRIAZOLAM", + "synonyms": [ + "HALCION", + "KENTION", + "N05CD05", + "TRIAZOLAM", + "TRIAZOLAM CIV", + "U-33,030", + "U-33030" + ], + "smiles": "Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2", + "atc_code": "N05CD05" + }, + "CHEMBL1006_approved": { + "title": "AMIFOSTINE", + "synonyms": [ + "AMIFOSTINE", + "AMIFOSTINE ANHYDROUS", + "AMIFOSTINE DISULFIDE", + "AMIFOSTINE TRIHYDRATE", + "ETHIOFOS", + "ETHIOFOS ANHYDROUS", + "ETHYOL", + "Ethiofos", + "GAMMAPHOS", + "NSC-296961", + "NSC-758236", + "WR-2721", + "WR-2721 TRIHYDRATE", + "YM-08310" + ], + "smiles": "NCCCNCCSP(=O)(O)O", + "atc_code": "V03AF05" + }, + "CHEMBL25_approved": { + "title": "ASPIRIN", + "synonyms": [ + "8-HOUR BAYER", + "ACETYL SALICYLATE", + "ACETYLSALIC ACID", + "ACETYLSALICYLIC ACID", + "ACETYLSALICYLIC ACID (WHO-IP)", + "ACETYLSALICYLICUM ACIDUM", + "ACIDUM ACETYLSALICYLICUM", + "ACIDUM ACETYLSALICYLICUM (WHO-IP)", + "ALKA RAPID", + "ANADIN ALL NIGHT", + "ANGETTES 75", + "ASPIRIN", + "ASPRO CLR", + "Acetosalic Acid", + "Acetylsalicylic Acid", + "Aspirin", + "BAY1019036", + "BAYER EXTRA STRENGTH ASPIRIN FOR MIGRAINE PAIN", + "BENZOIC ACID, 2-(ACETYLOXY)-", + "DANAMEP", + "DISPRIN CV", + "DISPRIN DIRECT", + "DURLAZA", + "ENPRIN", + "Ecotrin", + "Equi-Prin", + "GENCARDIA", + "LEVIUS", + "MAX STRGH ASPRO CLR", + "MEASURIN", + "MICROPIRIN EC", + "NSC-27223", + "NSC-406186", + "NU-SEALS 300", + "NU-SEALS 600", + "NU-SEALS 75", + "NU-SEALS CARDIO 75", + "PAYNOCIL", + "PLATET", + "PLATET 300", + "POSTMI 300", + "POSTMI 75", + "Salicylic Acid Acetate", + "VAZALORE" + ], + "smiles": "CC(=O)Oc1ccccc1C(=O)O", + "atc_code": "B01AC06 | N02BA01 | N02BA51 | A01AD05 | N02BA71" + }, + "CHEMBL714_approved": { + "title": "ALBUTEROL", + "synonyms": [ + "AEROLIN", + "AEROLIN 400", + "AEROLIN AUTO", + "AIROMIR", + "AIRSALB", + "ALBUTEROL", + "ASMASAL CLICKHALER", + "ASMASAL SPACEHALER", + "ASMAVEN", + "ASMAVENT", + "Accuneb", + "COBUTOLIN", + "COMBIVENT", + "COMBIVENT UDVS", + "Combivent", + "Duoneb", + "ETINOLINE", + "IPRAMOL STERI-NEB", + "KENTAMOL", + "LIBETIST", + "MAXIVENT", + "NSC-757417", + "PROVENTIL", + "PROVENTIL-HFA", + "Proair HFA", + "Proventil HFA", + "RIMASAL", + "SALAMOL E-BREATHE", + "SALAPIN", + "SALBULIN NOVOLIZER", + "SALBUTAMOL", + "SALBUTAMOLUM", + "SALBUVENT", + "SALIPRANEB", + "SCH 13949W", + "SCH-13949W", + "STERI-NEB SALAMOL", + "VENTMAX SR", + "VENTODISKS", + "VENTOLIN", + "VENTOLIN CR", + "VENTOLIN E-BREATHE", + "VENTOLINE", + "VOLMAX", + "Ventolin HFA", + "Volmax" + ], + "smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)c1", + "atc_code": "R03AC02 | R03CC02" + }, + "CHEMBL2079587_approved": { + "title": "STANOZOLOL", + "synonyms": [ + "ANDROSTANAZOL", + "ANDROSTANAZOLE", + "NSC-233046", + "NSC-43193", + "STANOZOLOL", + "STANOZOLOL CIII", + "STROMBA", + "Tevabolin", + "WIN 14833", + "WIN-14833", + "WINSTROL", + "Winstrol", + "Winstrol Depot" + ], + "smiles": "C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", + "atc_code": "A14AA02" + }, + "CHEMBL218394_approved": { + "title": "BOCEPREVIR", + "synonyms": [ + "BOCEPREVIR", + "EBP 520", + "EBP-520", + "SCH 503034", + "SCH-503034", + "Victrelis" + ], + "smiles": "CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C", + "atc_code": "J05AP03" + }, + "CHEMBL965_approved": { + "title": "CARBAMOYLCHOLINE", + "synonyms": [ + "Carbachol", + "Carbastat", + "Miostat" + ], + "smiles": "C[N+](C)(C)CCOC(N)=O", + "atc_code": null + }, + "CHEMBL61006_approved": { + "title": "PHENYLPROPANOLAMINE", + "synonyms": [ + "FANSIA", + "NOREPHEDRINE", + "NSC-9920", + "PHENYLFENESIN", + "PHENYLPROPANOLAMINE", + "PROPADRINE", + "RINEXIN" + ], + "smiles": "CC(N)C(O)c1ccccc1", + "atc_code": "R01BA01 | R01BA51" + }, + "CHEMBL701_approved": { + "title": "BACLOFEN", + "synonyms": [ + "(RS)-BACLOFEN", + "BA-34,647", + "BA-34647", + "BACLOFEN", + "BACLOSPAS-10", + "FLEQSUVY", + "GABLOFEN", + "KEMSTRO", + "LIORESAL", + "LIORESAL INTRATH", + "LYFLEX", + "LYVISPAH", + "NSC-755906", + "OZOBAX" + ], + "smiles": "NCC(CC(=O)O)c1ccc(Cl)cc1", + "atc_code": "M03BX01" + }, + "CHEMBL1751_approved": { + "title": "DIGOXIN", + "synonyms": [ + "DIGAMEX", + "DIGOXIN", + "DIGOXIN PEDIATRIC", + "DIGOXINUM", + "DYNAMOS", + "Digoxin", + "FARGOXIN", + "LANOCARDIN", + "LANOXICAPS", + "LANOXIN", + "LANOXIN PEDIATRIC", + "LANOXIN-125", + "LANOXIN-PG", + "MAPLUXIN", + "NATIGOXIN", + "NSC-95100", + "ROUGOXIN", + "STILLACOR-", + "TOLOXIN", + "VANOXIN", + "Vanoxin" + ], + "smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", + "atc_code": "C01AA05" + }, + "CHEMBL1168_approved": { + "title": "RAMIPRIL", + "synonyms": [ + "ALTACE", + "C09AA05", + "CARDACE", + "CORPRIL", + "DELIX", + "ECATOR", + "HOE 498", + "HOE-498", + "HOPACE", + "LOPACE", + "NSC-758933", + "PRAMACE", + "RAMACE", + "RAMIPRES", + "RAMIPRIL", + "RANACE", + "TRIATEC", + "TRITACE", + "UNIPRIL", + "VESDIL" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21", + "atc_code": "C09AA05" + }, + "CHEMBL1123_approved": { + "title": "DICYCLOMINE", + "synonyms": [ + "Bentyl", + "DICYCLOMINE", + "DICYCLOVERINE", + "DICYMINE", + "Dicyclomine", + "KOLANTYL" + ], + "smiles": "CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1", + "atc_code": "A03AA07" + }, + "CHEMBL1668_approved": { + "title": "RESCINNAMINE", + "synonyms": [ + "APOTERIN S", + "CARTRIC", + "CINNALOID", + "CINNASIL", + "MODERIL", + "NSC-15628", + "RESCINNAMINE", + "RESCISAN", + "RESEALOID", + "RESERPININE", + "Rescinnamine", + "SCINNAMINA", + "TSURUSELPI S" + ], + "smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", + "atc_code": "C02AA01" + }, + "CHEMBL3989868_approved": { + "title": "TUCATINIB", + "synonyms": [ + "ARRY-380", + "IRBINITINIB", + "MK-7119", + "ONT-380", + "TUCATINIB", + "Tukysa" + ], + "smiles": "Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1", + "atc_code": "L01EH03" + }, + "CHEMBL1201319_approved": { + "title": "METARAMINOL", + "synonyms": [ + "METARAMINOL" + ], + "smiles": "C[C@H](N)[C@H](O)c1cccc(O)c1", + "atc_code": "C01CA09" + }, + "CHEMBL376488_approved": { + "title": "BEDAQUILINE", + "synonyms": [ + "BEDAQUILINE", + "R-207910", + "R207910", + "SIRTURO", + "TMC-207", + "TMC207" + ], + "smiles": "COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12", + "atc_code": "J04AK05" + }, + "CHEMBL3668014_approved": { + "title": "LINZAGOLIX", + "synonyms": [ + "KLH-2109", + "LINZAGOLIX", + "OBE-2109", + "OBE2109" + ], + "smiles": "COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F", + "atc_code": "H01CC04" + }, + "CHEMBL797_approved": { + "title": "PHENSUXIMIDE", + "synonyms": [ + "1-METHYL-3-PHENYLSUCCINIMIDE", + "EPIMID", + "LIFENE", + "MILONTIN", + "MILONTON", + "MIRONTIN", + "N-METHYL-3-PHENYLPYRROLIDINEDIONE", + "NSC-760079", + "PHENSUXIMID", + "PHENSUXIMIDE", + "PM-334", + "Phensuximide", + "RACEMIC PHENSUXIMIDE", + "SUCCITIMAL" + ], + "smiles": "CN1C(=O)CC(c2ccccc2)C1=O", + "atc_code": "N03AD02" + }, + "CHEMBL1200878_approved": { + "title": "TRIAMCINOLONE HEXACETONIDE", + "synonyms": [ + "ARISTOSPAN", + "CL 34433", + "CL-34433", + "LEDERSPAN", + "TATBA", + "TRIAMCINOLONE HEXACETONIDE" + ], + "smiles": "CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", + "atc_code": null + }, + "CHEMBL1289926_approved": { + "title": "AXITINIB", + "synonyms": [ + "AG-013736", + "AG-13736", + "AXITINIB", + "Inlyta", + "NSC-757441" + ], + "smiles": "CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1", + "atc_code": "L01EK01" + }, + "CHEMBL4208229_approved": { + "title": "ASCIMINIB", + "synonyms": [ + "ABL-001", + "ABL001", + "ABL001-NX", + "ASCIMINIB", + "NVP-ABL001" + ], + "smiles": "O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1", + "atc_code": "L01EA06" + }, + "CHEMBL1730_approved": { + "title": "CEFOTAXIME", + "synonyms": [ + "CEFOTAXIM HIKMA", + "CEFOTAXIME", + "Cefotaxime" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1", + "atc_code": "J01DD01" + }, + "CHEMBL695_approved": { + "title": "TRIMETHADIONE", + "synonyms": [ + "A 2297", + "ABSENTOL", + "EPIDIONE", + "J2.519D", + "MINOALEVIATIN", + "NSC-15799", + "NSC-169503", + "TRIDIONE", + "TRIDONE", + "TRIMETHADIONE", + "TRIMETHADIONUM", + "TROXIDONE", + "Trimethadione" + ], + "smiles": "CN1C(=O)OC(C)(C)C1=O", + "atc_code": "N03AC02" + }, + "CHEMBL600_approved": { + "title": "ACETYLCYSTEINE", + "synonyms": [ + "5052", + "A-CYS", + "ACC-600", + "ACETADOTE", + "ACETYL CYSTEINE", + "ACETYLCYSTEINE", + "AIRBRON", + "BRONCHOLYSIN", + "CETYLEV", + "EN-CYS", + "FABROL", + "FLUIMICIL", + "FLUIMUCETIN", + "FLUIMUCIL", + "FLUIMUCIL 600", + "FLUIMUCIL LONG", + "FLUIMUCIL N", + "ILUBE", + "MERCAPTURIC ACID", + "MUCOMYST", + "MUCOSIL-10", + "MUCOSIL-20", + "N-ACETYI-L-CYSTEINE", + "N-ACETYL-L-CYSTEINE", + "N-Acetyl-L-Cysteine", + "NSC-111180", + "ORISTAR NALC", + "ORONAC 600", + "PARVOLEX", + "RESPAIRE", + "RESPI-NAC", + "RK-0202", + "SIRAN", + "SOLMUCOL", + "SYNTEMUCOL", + "TIXAIR", + "YOURNAC" + ], + "smiles": "CC(=O)N[C@@H](CS)C(=O)O", + "atc_code": "R05CB01 | S01XA08 | V03AB23" + }, + "CHEMBL32_approved": { + "title": "MOXIFLOXACIN", + "synonyms": [ + "AVELOX", + "AVELOX I.V.", + "AVELOX IV", + "Avelox", + "MOXIFLOXACIN", + "Moxifloxacin", + "Vigamox", + "ZIMOXIN" + ], + "smiles": "COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", + "atc_code": "J01MA14 | S01AE07" + }, + "CHEMBL1789941_approved": { + "title": "RUXOLITINIB", + "synonyms": [ + "INC-424", + "INC424", + "INCB-018424", + "INCB-18424", + "INCB018424", + "JAKAVI", + "RUXOLITINIB" + ], + "smiles": "N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1", + "atc_code": "D11AH09 | L01EJ01" + }, + "CHEMBL806_approved": { + "title": "FLUTAMIDE", + "synonyms": [ + "CHIMAX", + "DROGENIL", + "EULEXIN", + "FLUTAMIDE", + "NSC-215876", + "SCH 13521", + "SCH-13521" + ], + "smiles": "CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1", + "atc_code": "L02BB01" + }, + "CHEMBL1201224_approved": { + "title": "CEFMENOXIME", + "synonyms": [ + "CEFMENOXIME", + "Cefmenoxime", + "SCE-1365" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1", + "atc_code": "S02AA18 | J01DD05 | S01AA31" + }, + "CHEMBL295698_approved": { + "title": "LEVOKETOCONAZOLE", + "synonyms": [ + "(-)-(2S,4R)-KETOCONAZOLE", + "2S,4R KETOCONAZOLE", + "2S,4R-KETOCONAZOLE", + "COR-003", + "COR003", + "DIO-902", + "Extina", + "KETOCONAZOLE, (2S,4R)-", + "Ketosidin", + "Ketozole", + "LEVOKETOCONAZOLE", + "NORMOCORT", + "Nizoral", + "Nizoral a-d", + "Panfungol", + "R-41400", + "RECORLEV", + "Xolegel" + ], + "smiles": "CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", + "atc_code": "H02CA04" + }, + "CHEMBL831_approved": { + "title": "LOXAPINE", + "synonyms": [ + "Adasuve", + "CL 62,362", + "CL-62362", + "LOXAPINE", + "Loxapac", + "Loxitane", + "SUM 3170", + "SUM-3170" + ], + "smiles": "CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1", + "atc_code": "N05AH01" + }, + "CHEMBL1206_approved": { + "title": "ETHOPROPAZINE", + "synonyms": [ + "Ethopropazine", + "PROFENAMINE", + "Parsidol" + ], + "smiles": "CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21", + "atc_code": "N04AA05" + }, + "CHEMBL1096885_approved": { + "title": "VALRUBICIN", + "synonyms": [ + "AD 32", + "AD-32", + "NSC-246131", + "VALRUBICIN", + "VALSTAR PRESERVATIVE FREE", + "Valstar" + ], + "smiles": "CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O", + "atc_code": "L01DB09" + }, + "CHEMBL1908307_approved": { + "title": "FLOSEQUINAN", + "synonyms": [ + "BTS 49 465", + "BTS-49-465", + "BTS-49465", + "FLOSEQUINAN", + "MANOPLAX" + ], + "smiles": "Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21", + "atc_code": "C01DB01" + }, + "CHEMBL1512_approved": { + "title": "FLUNISOLIDE", + "synonyms": [ + "AEROBID", + "AEROSPAN HFA", + "FLUNISOLIDE", + "FLUNISOLIDE ANHYDROUS", + "FLUNISOLIDE HEMIHYDRATE", + "NASALIDE", + "NASAREL", + "NSC-757871", + "RS-3999", + "SYNTARIS", + "SYNTARIS HAYFEVER" + ], + "smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", + "atc_code": "R01AD04 | R03BA03" + }, + "CHEMBL1173055_approved": { + "title": "RUCAPARIB", + "synonyms": [ + "AG-014699", + "AG-14447", + "RUCAPARIB" + ], + "smiles": "CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1", + "atc_code": "L01XK03" + }, + "CHEMBL2103870_approved": { + "title": "LUMACAFTOR", + "synonyms": [ + "LUMACAFTOR", + "Lumacaftor", + "VRT 826809", + "VRT-826809", + "VRT826809", + "VX 809", + "VX-809", + "VX809" + ], + "smiles": "Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1", + "atc_code": null + }, + "CHEMBL1422_approved": { + "title": "SITAGLIPTIN", + "synonyms": [ + "JANUVIA", + "LEZ-763", + "LEZ763", + "MK-0431", + "SITAGLIPTIN" + ], + "smiles": "N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F", + "atc_code": "A10BH01" + }, + "CHEMBL2079130_approved": { + "title": "VONOPRAZAN", + "synonyms": [ + "TAK-438", + "TAKECAB", + "VOCINTI", + "VONOPRAZAN" + ], + "smiles": "CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1", + "atc_code": "A02BC08" + }, + "CHEMBL506_approved": { + "title": "PRIMAQUINE", + "synonyms": [ + "KANAPRIM", + "MALIRIDE", + "NEO-QUIPENYL", + "NSC-27296", + "PRIMACHIN", + "PRIMAQUINE", + "Primaquine", + "SN-13272", + "WR-2975" + ], + "smiles": "COc1cc(NC(C)CCCN)c2ncccc2c1", + "atc_code": "P01BA03" + }, + "CHEMBL3894860_approved": { + "title": "TRILACICLIB", + "synonyms": [ + "G1T28", + "G1T28-1", + "TRILACICLIB" + ], + "smiles": "CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1", + "atc_code": "V03AF12" + }, + "CHEMBL2146883_approved": { + "title": "COBIMETINIB", + "synonyms": [ + "COBIMETINIB", + "Cobimetinib", + "Cotellic", + "GDC 0623", + "GDC 0973", + "GDC-0623", + "GDC-0973", + "RG 7420", + "RG-7420", + "RG-7421", + "RG7420", + "XL 518", + "XL-518", + "XL518" + ], + "smiles": "O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1", + "atc_code": "L01EE02" + }, + "CHEMBL2095212_approved": { + "title": "MIRABEGRON", + "synonyms": [ + "BETANIS", + "Betmiga", + "MIRABEGRON", + "MYRBETRIQ", + "MYRBETRIQ GRANULES", + "YM-178", + "YM178" + ], + "smiles": "Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1", + "atc_code": "G04BD12" + }, + "CHEMBL1095_approved": { + "title": "ETHOTOIN", + "synonyms": [ + "ACCENON", + "ETHOTOIN", + "Ethotoin", + "NSC-760074", + "PEGANONE" + ], + "smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", + "atc_code": "N03AB01" + }, + "CHEMBL1201336_approved": { + "title": "FOSPHENYTOIN", + "synonyms": [ + "FOSPHENYTOIN", + "NP-06" + ], + "smiles": "O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O", + "atc_code": "N03AB05" + }, + "CHEMBL142703_approved": { + "title": "VILDAGLIPTIN", + "synonyms": [ + "GALVUS", + "LAF 237", + "LAF-237", + "LAF237", + "NVP-LAF 237", + "NVP-LAF237", + "VILDAGLIPTIN", + "VITAGLIPTIN", + "Xiliarx" + ], + "smiles": "N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2", + "atc_code": "A10BH02" + }, + "CHEMBL989_approved": { + "title": "FLUOCINOLONE ACETONIDE", + "synonyms": [ + "CAPEX", + "DERMA-SMOOTHE/FS", + "DERMOTIC", + "FLUCINOLONE ACETONIDE", + "FLUOCET", + "FLUOCINOLIDE (ACETATE)", + "FLUOCINOLONE", + "FLUOCINOLONE ACETONIDE", + "FLUONID", + "FLUOTREX", + "ILUVIEN", + "NSC-92339", + "OTO-SYNALAR", + "RETISERT", + "SYNALAR", + "SYNALAR FTE", + "SYNALAR-C", + "SYNALAR-HP", + "SYNALAR-N", + "SYNANDONE", + "YUTIQ" + ], + "smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", + "atc_code": "S01BA15 | S02BA08 | D07AC04 | C05AA10" + }, + "CHEMBL1201754_approved": { + "title": "RUFINAMIDE", + "synonyms": [ + "60231/4", + "BANZEL", + "CGP 33101", + "CGP-33101", + "E-2080", + "E2080", + "Inovelon", + "RUF 331", + "RUF-331", + "RUFINAMIDE" + ], + "smiles": "NC(=O)c1cn(Cc2c(F)cccc2F)nn1", + "atc_code": "N03AF03" + }, + "CHEMBL521686_approved": { + "title": "OLAPARIB", + "synonyms": [ + "AZ-2281", + "AZ2281", + "AZD-2281", + "AZD2281", + "KEYLYNK-010 COMPONENT OLAPARIB", + "KU-0059436", + "KU-59436", + "Lynparza", + "NSC-747856", + "OLAPARIB", + "OLAPARIB COMPONENT OF KEYLYNK-010" + ], + "smiles": "O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1", + "atc_code": "L01XK01" + }, + "CHEMBL1200932_approved": { + "title": "IOPAMIDOL", + "synonyms": [ + "IOPAMIDOL", + "IOPAMIDOL-200", + "IOPAMIDOL-250", + "IOPAMIDOL-300", + "IOPAMIDOL-370", + "IOPAMIRON", + "ISOVUE-128", + "ISOVUE-200", + "ISOVUE-250", + "ISOVUE-300", + "ISOVUE-370", + "ISOVUE-M 200", + "ISOVUE-M 300", + "SCANLUX-300", + "SCANLUX-370", + "SQ 13,396", + "SQ-13396" + ], + "smiles": "C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I", + "atc_code": "V08AB04" + }, + "CHEMBL741_approved": { + "title": "LAMOTRIGINE", + "synonyms": [ + "BW 430C", + "BW-430C", + "LAMICTAL", + "LAMICTAL CD", + "LAMICTAL ODT", + "LAMICTAL XR", + "LAMOTRIGINE", + "NSC-759171" + ], + "smiles": "Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1", + "atc_code": "N03AX09" + }, + "CHEMBL1257073_approved": { + "title": "TECOVIRIMAT", + "synonyms": [ + "SIGA-246", + "ST 246", + "ST-246", + "TECOVIRIMAT" + ], + "smiles": "O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C1=O)c1ccc(C(F)(F)F)cc1", + "atc_code": "J05AX24" + }, + "CHEMBL1174_approved": { + "title": "EPTIFIBATIDE", + "synonyms": [ + "EPTIFIBATIDE", + "Eptifibatide", + "Eptifibatide Accord", + "INTEGRELIN", + "INTEGRILIN" + ], + "smiles": "N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O", + "atc_code": "B01AC16" + }, + "CHEMBL413_approved": { + "title": "SIROLIMUS", + "synonyms": [ + "AY-22989", + "FYARRO", + "HYFTOR", + "L04AA10", + "NPC-12G", + "NSC-226080", + "RAPALIMUS", + "RAPAMYCIN", + "Rapamune", + "SIROLIMUS", + "SM-88 COMPONENT SIROLIMUS", + "WY-090217" + ], + "smiles": "CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C", + "atc_code": "L04AA10 | S01XA23 | L01EG04" + }, + "CHEMBL1159_approved": { + "title": "PINACIDIL ANHYDROUS", + "synonyms": [ + "(R,S)-PINACIDIL", + "P-1134", + "PINACIDIL ANHYDROUS", + "S-1230" + ], + "smiles": "CC(N/C(=N\\C#N)Nc1ccncc1)C(C)(C)C", + "atc_code": null + }, + "CHEMBL115_approved": { + "title": "INDINAVIR", + "synonyms": [ + "Crixivan", + "INDINAVIR", + "INDINAVIR MONOHYDRATE", + "INDINAVIR SYSTEM SUITABILITY", + "Indinavir", + "L-735524", + "MK-639" + ], + "smiles": "CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O", + "atc_code": "J05AE02" + }, + "CHEMBL1541_approved": { + "title": "CEFIXIME", + "synonyms": [ + "ANHYDROUS CEFIXIME", + "CEFIXIME", + "CEFIXIME ANHYDROUS", + "CEFIXIME HYDRATE", + "CEFIXIME TRIHYDRATE", + "CEPHORAL", + "CITROPEN", + "CL 284,635", + "CL-284635", + "Cefspan", + "FK 027", + "FK-027", + "FR 17027", + "FR-17027", + "Oroken", + "SUPRAX" + ], + "smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OCC(=O)O)c3csc(N)n3)[C@H]2SC1", + "atc_code": "J01DD08" + }, + "CHEMBL370143_approved": { + "title": "PAROMOMYCIN", + "synonyms": [ + "AMINOSIDIN", + "ANTIBIOTIC 503-3", + "ANTIBIOTIC SF 767B", + "ANTIBIOTIC SF-767B", + "Aminosidine", + "CATENULIN", + "CRESTOMYCIN", + "ESTOMYCIN", + "GABROMYCIN", + "HYDROXYMYCIN", + "MONOMYCIN A", + "Monomycin", + "NEOMYCIN E", + "PAROMOMYCIN", + "PAROMOMYCIN I", + "PAUCIMYCIN", + "QUINTOMYCIN C", + "R 400", + "R-400" + ], + "smiles": "NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O", + "atc_code": "A07AA06" + }, + "CHEMBL2105735_approved": { + "title": "ASUNAPREVIR", + "synonyms": [ + "ASUNAPREVIR", + "BMS 650032", + "BMS-650032", + "BMS650032", + "SUNVEPRA" + ], + "smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1", + "atc_code": "J05AP06" + }, + "CHEMBL1292_approved": { + "title": "CLOFAZIMINE", + "synonyms": [ + "CHLOFAZIMINE", + "CLOFAZIMINE", + "CLOFAZIMINUM", + "COLFAZIMINE", + "G 30320", + "G-30320", + "LAMPRENE", + "NSC-141046" + ], + "smiles": "CC(C)/N=c1\\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1", + "atc_code": "J04BA01" + }, + "CHEMBL415606_approved": { + "title": "DEGARELIX", + "synonyms": [ + "DEGARELIX", + "FE200486 (AS ACETATE SALT)", + "FIRMAGON" + ], + "smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", + "atc_code": "L02BX02" + }, + "CHEMBL772_approved": { + "title": "RESERPINE", + "synonyms": [ + "APOPLON", + "ENT-50146", + "HISERPIA", + "NSC-237659", + "NSC-59272", + "RAU-SED", + "RESERPINE", + "RESERPINUM", + "Reserpine", + "SANDRIL", + "SERPALAN", + "SERPANRAY", + "SERPASIL", + "SERPATE", + "SERPIVITE" + ], + "smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", + "atc_code": "C02AA52 | C02AA02" + }, + "CHEMBL227875_approved": { + "title": "PRETOMANID", + "synonyms": [ + "Dovprela (previously Pretomanid FGK)", + "PA 824", + "PA-824", + "PA824", + "PRETOMANID" + ], + "smiles": "O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2", + "atc_code": "J04AK08" + }, + "CHEMBL2103877_approved": { + "title": "EFINACONAZOLE", + "synonyms": [ + "CLENAFIN", + "EFINACONAZOLE", + "IDP-108", + "JUBLIA", + "KP-103" + ], + "smiles": "C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1", + "atc_code": "D01AC19" + }, + "CHEMBL1096882_approved": { + "title": "FLUDARABINE PHOSPHATE", + "synonyms": [ + "2-F-ARA-AMP", + "2-F-ARAA", + "2-FLUORO ARA-A", + "2-FLUOROVIDARABINE", + "FLUDARA", + "FLUDARABINE", + "FLUDARABINE 5'-MONOPHOSPHATE", + "FLUDARABINE MONOPHOSPHATE", + "FLUDARABINE PHOSPHATE", + "FLURADOSA", + "NSC-118218", + "NSC-118218H", + "NSC-312887", + "NSC-328002", + "OFORTA" + ], + "smiles": "Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O", + "atc_code": "L01BB05" + }, + "CHEMBL2107825_approved": { + "title": "TENOFOVIR ALAFENAMIDE", + "synonyms": [ + "GS-7340", + "GS-734003", + "TENOFOVIR ALAFENAMIDE", + "VEMLIDY" + ], + "smiles": "CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1", + "atc_code": "J05AF13" + }, + "CHEMBL969_approved": { + "title": "PRAZEPAM", + "synonyms": [ + "CENTRAX", + "DEMETRIN", + "NSC-277179", + "PRAZEPAM", + "PRAZEPAM CIV", + "W 4020", + "W-4020" + ], + "smiles": "O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1", + "atc_code": "N05BA11" + }, + "CHEMBL1201212_approved": { + "title": "MIDODRINE", + "synonyms": [ + "MIDODRINE", + "ST 1085", + "ST-1085" + ], + "smiles": "COc1ccc(OC)c(C(O)CNC(=O)CN)c1", + "atc_code": "C01CA17" + }, + "CHEMBL1023_approved": { + "title": "BEXAROTENE", + "synonyms": [ + "BEXAROTENE", + "LG-100069", + "LG100069", + "LGD-1069", + "LGD1069", + "NSC-747528", + "Targretin", + "Targretine" + ], + "smiles": "C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C", + "atc_code": "L01XF03" + }, + "CHEMBL1071_approved": { + "title": "OXAPROZIN", + "synonyms": [ + "DAYPRO", + "NSC-310839", + "OXAPROZIN", + "WY-21,743", + "WY-21743" + ], + "smiles": "O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1", + "atc_code": "M01AE12" + }, + "CHEMBL878_approved": { + "title": "METOLAZONE", + "synonyms": [ + "DIULO", + "METAZOLINE", + "METENIX", + "METOLAZONE", + "METOZALONE", + "MYKROX", + "NORMELAN", + "NSC-759581", + "OLDREN", + "SR 720-22", + "SR-720-22", + "XURET", + "ZAROXOLYN" + ], + "smiles": "Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C", + "atc_code": "C03BA08" + }, + "CHEMBL111_approved": { + "title": "RIMONABANT", + "synonyms": [ + "ACOMPLIA", + "RIMONABANT", + "SR-14171", + "SR-141716", + "SR-141716A", + "SR141716", + "ZIMULTI", + "Zimulti" + ], + "smiles": "Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1", + "atc_code": "A08AX01" + }, + "CHEMBL603_approved": { + "title": "ZAFIRLUKAST", + "synonyms": [ + "ACCOLATE", + "ICI 204,219", + "ICI-204,219", + "ICI-204219", + "ZAFIRLUKAST" + ], + "smiles": "COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12", + "atc_code": "R03DC01" + }, + "CHEMBL305660_approved": { + "title": "EBASTINE", + "synonyms": [ + "EBASTINE", + "LAS W-090", + "LAS-W-090", + "RP 64305", + "RP-64305" + ], + "smiles": "CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1", + "atc_code": "R06AX22" + }, + "CHEMBL4298137_approved": { + "title": "DURLOBACTAM", + "synonyms": [ + "DURLOBACTAM", + "EXT2514" + ], + "smiles": "CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)O)[C@@H]1C(N)=O", + "atc_code": null + }, + "CHEMBL1256_approved": { + "title": "ISOFLURANE", + "synonyms": [ + "AERRANE", + "COMPOUND 469", + "COMPOUND-469", + "FORANE", + "ISOFLURANE" + ], + "smiles": "FC(F)OC(Cl)C(F)(F)F", + "atc_code": "N01AB06" + }, + "CHEMBL289469_approved": { + "title": "GRANISETRON", + "synonyms": [ + "APF-530", + "APF530", + "BRL 43694", + "BRL-43694", + "GRANISETRON", + "Kytril", + "LY-278584", + "SUSTOL", + "Sancuso" + ], + "smiles": "CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2", + "atc_code": "A04AA02" + }, + "CHEMBL1513_approved": { + "title": "IRBESARTAN", + "synonyms": [ + "APROVEL", + "AVAPRO", + "BMS-186295", + "IFIRMASTA", + "IRBESARTAN", + "IRBESARTAN BMS", + "IRBESARTAN TEVA", + "IRBESARTAN ZENTIVA", + "Karvea", + "NSC-758696", + "SABERVEL", + "SARBEVEL", + "SR 47436", + "SR-47436" + ], + "smiles": "CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", + "atc_code": "C09CA04" + }, + "CHEMBL1201288_approved": { + "title": "DANTROLENE", + "synonyms": [ + "2-METHYLBENZOIC ACID ANILIDE", + "BAS-305", + "BAS-3050", + "BAS-3050F", + "BEBENIL", + "DANTROLENE", + "F-368", + "MEBENIL", + "NSC-227402", + "NSC-26404", + "O-METHYLBENZANILIDE", + "O-TOLUANILIDE", + "SHA-458100" + ], + "smiles": "O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1", + "atc_code": "M03CA01" + }, + "CHEMBL72_approved": { + "title": "DESIPRAMINE", + "synonyms": [ + "DESIPRAMINE", + "Desipramine", + "IMIPRAMINE, DEMETHYL-", + "MONODEMETHYLIMIPRAMINE", + "N-DESMETHYLIMIPRAMINE", + "NORIMIPRAMINE" + ], + "smiles": "CNCCCN1c2ccccc2CCc2ccccc21", + "atc_code": "N06AA01" + }, + "CHEMBL512351_approved": { + "title": "BETRIXABAN", + "synonyms": [ + "BETRIXABAN", + "BETRIXABAN MALEATE", + "BEVYXXA", + "PRT-054021", + "PRT054021" + ], + "smiles": "COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1", + "atc_code": "B01AF04" + }, + "CHEMBL191083_approved": { + "title": "METHYLENE BLUE CATION", + "synonyms": [ + "DNDI1417128" + ], + "smiles": "CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1", + "atc_code": null + }, + "CHEMBL3786343_approved": { + "title": "OLMUTINIB", + "synonyms": [ + "BI 1482694", + "BI-1482694", + "HM-61713", + "HM61713", + "OLMUTINIB" + ], + "smiles": "C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1", + "atc_code": "L01EB06" + }, + "CHEMBL116_approved": { + "title": "AMPRENAVIR", + "synonyms": [ + "141 W94", + "141W94", + "AMPRENAVIR", + "Agenerase", + "J05AE05", + "KVX-478", + "VX-478" + ], + "smiles": "CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", + "atc_code": "J05AE05" + }, + "CHEMBL1159650_approved": { + "title": "CLOBETASOL PROPIONATE", + "synonyms": [ + "CCI 4725", + "CCI-4725", + "CLARELUX", + "CLOBADERM", + "CLOBECORT AMEX", + "CLOBETASOL", + "CLOBETASOL 17-PROPIONATE", + "CLOBETASOL PROPIONATE", + "CLOBETASOL PROPIONATE (EMOLLIENT)", + "CLOBEX", + "CORMAX", + "DERMOVATE", + "DERMOVATE NN", + "DOVATE", + "EMBELINE", + "EMBELINE E", + "ETRIVEX", + "GR 2/925", + "IMPEKLO", + "IMPOYZ", + "NSC-758634", + "OLUX", + "OLUX E", + "PSOREX", + "TEMOVATE", + "TEMOVATE E" + ], + "smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "D07AD01" + }, + "CHEMBL1615438_approved": { + "title": "LEVOCABASTINE", + "synonyms": [ + "LEVOCABASTINE", + "LIVOSTIN DIRECT", + "R-50547" + ], + "smiles": "C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1", + "atc_code": "R01AC02 | S01GX02" + }, + "CHEMBL1201199_approved": { + "title": "LEUPROLIDE", + "synonyms": [ + "(-)-LEUPROLIDE", + "ABBOTT-43818 FREE BASE", + "CKD-841", + "LEUPORELIN", + "LEUPROLIDE", + "LEUPRORELIN", + "LEUPRORELIN SLOW RELEASE", + "NSC-377526", + "TAP-144 FREE BASE" + ], + "smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1", + "atc_code": "L02AE02" + }, + "CHEMBL539697_approved": { + "title": "DABIGATRAN ETEXILATE", + "synonyms": [ + "BIBR 1048", + "BIBR 1048 BS RS1", + "BIBR-1048", + "BIBR-1048-BS-RS1", + "DABIGATRAN ETEXILATE", + "DABIGATRAN ETEXILATE METHANESULFONATE", + "PRADAXA" + ], + "smiles": "CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1", + "atc_code": "B01AE07" + }, + "CHEMBL264241_approved": { + "title": "ANIDULAFUNGIN", + "synonyms": [ + "ANIDULAFUNGIN", + "D-70013", + "D70013", + "ERAXIS", + "Ecalta", + "LY-303366", + "LY303366", + "V-ECHINOCANDIN", + "VER-002", + "VER002" + ], + "smiles": "CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1", + "atc_code": "J02AX06" + }, + "CHEMBL455186_approved": { + "title": "TREOSULFAN", + "synonyms": [ + "Grafapex", + "Graftrevo", + "Kepcondi", + "L-THREITOL 1,4-DIMETHANESULFONATE", + "NSC-39069", + "Ovastat", + "THREOSULPHAN", + "TREOSULFAN", + "Trecondi", + "Trecondyv", + "Treograft" + ], + "smiles": "CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O", + "atc_code": "L01AB02" + }, + "CHEMBL1021_approved": { + "title": "NEPAFENAC", + "synonyms": [ + "AHR-9434", + "AL-6515", + "ILEVRO", + "NEPAFENAC", + "Nevanac" + ], + "smiles": "NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N", + "atc_code": "S01BC10" + }, + "CHEMBL2028850_approved": { + "title": "ICATIBANT", + "synonyms": [ + "HOE-140", + "ICATIBANT" + ], + "smiles": "N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C[C@@H]2CCCC[C@@H]21", + "atc_code": "B06AC02" + }, + "CHEMBL3989915_approved": { + "title": "DIFELIKEFALIN", + "synonyms": [ + "4-PIPERIDINECARBOXYLIC ACID, N1-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)-4-AMINO-", + "CR-845", + "CR845", + "DIFELIKEFALIN", + "FE-202845", + "FE202845", + "MR-13A9", + "MR13A9" + ], + "smiles": "CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1", + "atc_code": "V03AX04" + }, + "CHEMBL1590_approved": { + "title": "PSEUDOEPHEDRINE", + "synonyms": [ + "ACUNASO", + "ISOEPHEDRINE, D-", + "NEODURASINA", + "PSEUDOEPHEDRINE", + "PSEUDOEPHEDRINE POLISTIREX", + "Pseudoephedrine" + ], + "smiles": "CN[C@@H](C)[C@@H](O)c1ccccc1", + "atc_code": "R01BA52 | R01BA02" + }, + "CHEMBL1136_approved": { + "title": "TELITHROMYCIN", + "synonyms": [ + "HMR 3647", + "HMR-3647", + "HMR3647", + "Ketek", + "LEVVIAX", + "NSC-758940", + "TELITHROMYCIN" + ], + "smiles": "CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C", + "atc_code": "J01FA15" + }, + "CHEMBL2005186_approved": { + "title": "BELUMOSUDIL", + "synonyms": [ + "BELUMOSUDIL", + "KD-025", + "KD025", + "ROCK2 INHIBITOR KD025", + "SLX-2119 FREE BASE", + "SLx-2119" + ], + "smiles": "CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1", + "atc_code": "L04AA48" + }, + "CHEMBL18116_approved": { + "title": "TOLOXATONE", + "synonyms": [ + "HUMORYL", + "TOLOXATONE" + ], + "smiles": "Cc1cccc(N2CC(CO)OC2=O)c1", + "atc_code": "N06AG03" + }, + "CHEMBL70418_approved": { + "title": "CLOBAZAM", + "synonyms": [ + "CLOBAZAM", + "COLBAZAM", + "FRISIUM", + "H 4723", + "H-4723", + "HR 376", + "HR-376", + "LM 2717", + "LM-2717", + "MYSTAN", + "NSC-336279", + "ONFI", + "PERIZAM", + "SYMPAZAN", + "TAPCLOB", + "URBADAN", + "URBANYL" + ], + "smiles": "CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21", + "atc_code": "N05BA09" + }, + "CHEMBL1908841_approved": { + "title": "LEVOLEUCOVORIN", + "synonyms": [ + "(6S)-LEUCOVORIN", + "(S)-LEUCOVORIN", + "KHAPZORY", + "L-FOLINIC ACID", + "LEVOFOLENE", + "LEVOFOLINIC ACID", + "LEVOLEUCOVORIN", + "LFP-754" + ], + "smiles": "Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O", + "atc_code": null + }, + "CHEMBL1729_approved": { + "title": "CISAPRIDE", + "synonyms": [ + "ALIMIX", + "CISAPRIDE", + "CISAPRIDE MONOHYDRATE", + "Cisapride", + "PREPULSID", + "PREPULSID QUICKLET", + "PROPULSID", + "PROPULSID QUICKSOLV", + "Propulsid", + "R-51,619", + "R-51619" + ], + "smiles": "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC", + "atc_code": "A03FA02" + }, + "CHEMBL1201270_approved": { + "title": "METHENAMINE", + "synonyms": [ + "AMINOFORM", + "E-239", + "E239", + "HEXAMETHYLENAMINE", + "HEXAMETHYLENE TETRAMINE", + "HEXAMETHYLENETETRAMINE", + "HEXAMINE", + "INS NO.239", + "INS-239", + "METHENAMINE", + "NSC-26346", + "NSC-403347" + ], + "smiles": "C1N2CN3CN1CN(C2)C3", + "atc_code": "J01XX05" + }, + "CHEMBL641_approved": { + "title": "ATOMOXETINE", + "synonyms": [ + "ATOMOXETINE", + "Atomoxetine", + "Strattera" + ], + "smiles": "CNCC[C@@H](Oc1ccccc1C)c1ccccc1", + "atc_code": "N06BA09" + }, + "CHEMBL1201237_approved": { + "title": "LEVOBUNOLOL", + "synonyms": [ + "BUNOLOL, (-)-", + "BUNOLOL, (S)-", + "LEVOBUNOLOL", + "Levobunolol" + ], + "smiles": "CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O", + "atc_code": "S01ED03" + }, + "CHEMBL1077_approved": { + "title": "BROMFENAC", + "synonyms": [ + "BROMFENAC", + "Bromfenac", + "ISV-303" + ], + "smiles": "Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1", + "atc_code": "S01BC11" + }, + "CHEMBL56337_approved": { + "title": "EPALRESTAT", + "synonyms": [ + "ALDONIL", + "ALDORIN", + "EPALRESTAT", + "KINEDAK", + "TANGLIN" + ], + "smiles": "CC(/C=C1\\SC(=S)N(CC(=O)O)C1=O)=C\\c1ccccc1", + "atc_code": null + }, + "CHEMBL2103784_approved": { + "title": "COSYNTROPIN", + "synonyms": [ + "CORTICOTROPIN TETRACOSAPEPTIDE", + "CORTROSYN", + "COSYNTROPIN", + "COSYNTROPIN ACETATE", + "COSYNTROPIN HEXAACETATE", + "SYNACTHEN", + "SYNACTHEN DEPOT", + "TETRACOSACTIDE", + "TETRACOSACTIDE ACETATE", + "TETRACOSACTIDE HEXAACETATE", + "TETRACOSACTIDE HEXACETATE", + "TETRACOSACTRIN", + "VICOTROPE" + ], + "smiles": "CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C", + "atc_code": "H01AA02" + }, + "CHEMBL4297185_approved": { + "title": "DAROLUTAMIDE", + "synonyms": [ + "BAY 1841788", + "BAY-1841788", + "BAY1841788", + "DAROLUTAMIDE", + "Nubeqa", + "ODM-201" + ], + "smiles": "CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1", + "atc_code": "L02BB06" + }, + "CHEMBL396778_approved": { + "title": "SAFINAMIDE", + "synonyms": [ + "EMD 1195686", + "EMD-1195686", + "SAFINAMIDE", + "XADAGO" + ], + "smiles": "C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O", + "atc_code": "N04BD03" + }, + "CHEMBL493982_approved": { + "title": "VORAPAXAR", + "synonyms": [ + "SCH-530348", + "VORAPAXAR" + ], + "smiles": "CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1", + "atc_code": "B01AC26" + }, + "CHEMBL1537_approved": { + "title": "AZLOCILLIN", + "synonyms": [ + "AZLOCILLIN", + "Azlocillin", + "J01CA09", + "NSC-758227" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA09" + }, + "CHEMBL1755_approved": { + "title": "CONIVAPTAN", + "synonyms": [ + "CONIVAPTAN", + "Conivaptan" + ], + "smiles": "Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2", + "atc_code": "C03XA02" + }, + "CHEMBL3301669_approved": { + "title": "DALBAVANCIN", + "synonyms": [ + "A-A-1", + "BI-397", + "BI397", + "DALBAVANCIN", + "MDL 64,397", + "MDL-64397", + "VER-001", + "VER001", + "VERO001", + "ZEVEN" + ], + "smiles": "CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O", + "atc_code": "J01XA04" + }, + "CHEMBL88_approved": { + "title": "CYCLOPHOSPHAMIDE ANHYDROUS", + "synonyms": [ + "CYCLOPHOSPHAMIDE", + "CYCLOPHOSPHAMIDE ANHYDROUS", + "Cyclophosphamide", + "Cytoxan", + "Neosar" + ], + "smiles": "O=P1(N(CCCl)CCCl)NCCCO1", + "atc_code": null + }, + "CHEMBL1660_approved": { + "title": "RIFAPENTINE", + "synonyms": [ + "ANTIBIOTIC DL-473IT", + "DL-473", + "KTC-1", + "MDL 473", + "MDL-473", + "PRIFITIN", + "PRIFTIN", + "R-77-3", + "R-773", + "RIFAPENTIN", + "RIFAPENTINE" + ], + "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", + "atc_code": "J04AB05" + }, + "CHEMBL1689063_approved": { + "title": "AVIBACTAM", + "synonyms": [ + "AVIBACTAM", + "NXL-104", + "NXL-104 FREE ACID", + "NXL104" + ], + "smiles": "NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", + "atc_code": null + }, + "CHEMBL2220442_approved": { + "title": "FLUVASTATIN", + "synonyms": [ + "FLUVAS", + "FLUVASTATIN", + "NSC-758896" + ], + "smiles": "CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21", + "atc_code": "C10AA04" + }, + "CHEMBL654_approved": { + "title": "MIRTAZAPINE", + "synonyms": [ + "6-AZAMIANSERIN", + "AVANZA", + "MIRATAZ", + "MIRTAZAPIN", + "MIRTAZAPINE", + "MIRTAZAPINE ANHYDROUS", + "NORSET", + "ORG 3770", + "ORG-3770", + "PROMYRTIL", + "REMERON", + "REMERON SOLTAB", + "REXER", + "ZISPIN" + ], + "smiles": "CN1CCN2c3ncccc3Cc3ccccc3C2C1", + "atc_code": "N06AX11" + }, + "CHEMBL865_approved": { + "title": "VALDECOXIB", + "synonyms": [ + "Bextra", + "NSC-759846", + "SC-65872", + "VALDECOXIB", + "VALDYN" + ], + "smiles": "Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1", + "atc_code": "M01AH03" + }, + "CHEMBL19490_approved": { + "title": "ZOMEPIRAC", + "synonyms": [ + "ZOMEPIRAC" + ], + "smiles": "Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1", + "atc_code": "M01AB04" + }, + "CHEMBL278623_approved": { + "title": "MACIMORELIN", + "synonyms": [ + "AEZS-130", + "ARD-07", + "ARD07", + "EP-01572", + "EP-1572", + "EP01572", + "EP1572", + "JMV 1843", + "JMV-1843", + "MACIMORELIN", + "Macimorelin", + "Macrilen", + "Solorel" + ], + "smiles": "CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O", + "atc_code": "V04CD06" + }, + "CHEMBL1262_approved": { + "title": "OXICONAZOLE", + "synonyms": [ + "OXICONAZOLE", + "Oxiconazole", + "Oxistat", + "Oxizole" + ], + "smiles": "Clc1ccc(CO/N=C(\\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", + "atc_code": "G01AF17 | D01AC11" + }, + "CHEMBL1200807_approved": { + "title": "NORELGESTROMIN", + "synonyms": [ + "DEACETYLNORGESTIMATE", + "NORELGESTROMIN", + "RWJ-10553" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", + "atc_code": null + }, + "CHEMBL1201794_approved": { + "title": "RIBOFLAVIN 5'-PHOSPHATE", + "synonyms": [ + "E101a", + "FLAVIN MONONUCLEOTIDE", + "PHOTREXA", + "PHOTREXA VISCOUS IN DEXTRAN 20%", + "RIBOFLAVIN 5'-PHOSPHATE", + "RIBOFLAVIN PHOSPHATE", + "VITAMIN B2 PHOSPHATE" + ], + "smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C", + "atc_code": null + }, + "CHEMBL431770_approved": { + "title": "ISTRADEFYLLINE", + "synonyms": [ + "ISTRADEFYLLINE", + "KW-6002", + "NOURIANZ", + "NOURIAST" + ], + "smiles": "CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O", + "atc_code": "N04CX01" + }, + "CHEMBL608533_approved": { + "title": "MIDOSTAURIN", + "synonyms": [ + "CGP 41251", + "CGP-41251", + "MIDOSTAURIN", + "Midostaurin", + "NSC-656576", + "NVP-PKC412", + "PKC 412", + "PKC-412", + "Rydapt" + ], + "smiles": "CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4", + "atc_code": "L01EX10" + }, + "CHEMBL218490_approved": { + "title": "DORZOLAMIDE", + "synonyms": [ + "DORZANT", + "DORZOLAMIDE", + "DORZOLAMIDE, TRANS-(-)-", + "Dorzolamide", + "MK-507", + "TRUSOPT", + "Trusopt" + ], + "smiles": "CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21", + "atc_code": "S01EC03" + }, + "CHEMBL439_approved": { + "title": "SULFADIAZINE", + "synonyms": [ + "Adiazine", + "Diazyl", + "NSC-35600", + "SSD", + "SULFACOMBIN", + "SULFADIAZINE", + "SULPHADIAZINE", + "Sildaflo", + "Silvadene", + "Sulfadiazine", + "Sulfapyrimidine", + "Sulfolex", + "Sulphadiazine", + "Thermazene" + ], + "smiles": "Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1", + "atc_code": "J01EC02" + }, + "CHEMBL1164729_approved": { + "title": "FEBUXOSTAT", + "synonyms": [ + "ADENURIC", + "FEBUXOSTAT", + "Febuxostat Mylan", + "NSC-758874", + "TMX-67", + "ULORIC" + ], + "smiles": "Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O", + "atc_code": "M04AA03" + }, + "CHEMBL1201242_approved": { + "title": "INDECAINIDE", + "synonyms": [ + "INDECAINIDE", + "Indecainide" + ], + "smiles": "CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21", + "atc_code": null + }, + "CHEMBL1201229_approved": { + "title": "DEMECARIUM", + "synonyms": [ + "DEMECARIUM", + "DEMECARIUM CATION", + "DEMECARIUM ION", + "Demecarium" + ], + "smiles": "CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1", + "atc_code": "S01EB04" + }, + "CHEMBL1574_approved": { + "title": "PHENTERMINE", + "synonyms": [ + "DUROMINE", + "IONAMIN", + "NSC-759163", + "PHENTERMINE", + "PHENTERMINE RESIN", + "PHENTERMINE RESIN 30", + "PHENTERMINE RESIN COMPLEX", + "Phentermine", + "QSIVA" + ], + "smiles": "CC(C)(N)Cc1ccccc1", + "atc_code": "A08AA01" + }, + "CHEMBL461101_approved": { + "title": "ELTROMBOPAG", + "synonyms": [ + "ELTROMBOPAG", + "REVOLADE", + "SB497115" + ], + "smiles": "CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\\Nc1cccc(-c2cccc(C(=O)O)c2)c1O", + "atc_code": "B02BX05" + }, + "CHEMBL853_approved": { + "title": "ZALCITABINE", + "synonyms": [ + "DDC (DDC)", + "DIDEOXYCYTIDINE", + "HIVID", + "Hivid", + "NSC-606170", + "RO 24-2027/000", + "RO-24-2027000", + "RO-242027000", + "ZALCITABINE", + "ZALCITABINE (DIDEOXYCYTIDINE,DDC)" + ], + "smiles": "Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1", + "atc_code": "J05AF03" + }, + "CHEMBL317094_approved": { + "title": "IMIDAPRIL", + "synonyms": [ + "HIPERTENE", + "IMIDAPRIL", + "IMIDAPRIL HCL", + "IMIDAPRIL HYDROCHLORIDE", + "IMIDAPRIL MONOHYDROCHLORIDE", + "TA 6366", + "TA-6366", + "TANATRIL" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O", + "atc_code": "C09AA16" + }, + "CHEMBL963_approved": { + "title": "OXYMORPHONE", + "synonyms": [ + "14-HYDROXYDIHYDROMORPHINONE", + "7,8-DIHYDRO-14-HYDROXYMORPHINONE", + "DIHYDROXYMORPHINONE", + "IDS-NO-003", + "NIH 10323", + "NSC-19045", + "Numorphan", + "OXYCODONE HYDROCHLORIDE IMPURITY, OXYMORPHONE-", + "OXYMORPHONE", + "OXYMORPHONE CII", + "Opana", + "Oxymorphone" + ], + "smiles": "CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", + "atc_code": "N02AA11" + }, + "CHEMBL1231574_approved": { + "title": "LEVOMEFOLIC ACID", + "synonyms": [ + "(6S)-5-METHYLTETRAHYDROFOLATE", + "5- METHYLTETRAHYDROFOLATE", + "5-MTHF", + "BODYFOLIN", + "L-5-MTHF", + "L-METHYLFOLATE", + "LEVOMEFOLATE", + "LEVOMEFOLIC ACID", + "LEVOMEFOLINIC ACID", + "LMSR", + "METAFOLIN", + "NUTRIFOLIN" + ], + "smiles": "CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1", + "atc_code": null + }, + "CHEMBL1683590_approved": { + "title": "ERIBULIN", + "synonyms": [ + "ER-086526", + "ERIBULIN", + "HALAVEN" + ], + "smiles": "C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@@H]3[C@@H](OC)[C@@H](C[C@H](O)CN)O[C@H]3C[C@H]3O[C@@H](CC[C@@H]1O2)C[C@@H](C)C3=C", + "atc_code": "L01XX41" + }, + "CHEMBL1029_approved": { + "title": "MIGLUSTAT", + "synonyms": [ + "BUTYLDEOXYNOJIRIMYCIN", + "MIGLUSTAT", + "Miglustat Dipharma", + "N-BUTYLDEOXYNOJIRIMYCIN", + "OGT 918", + "OGT-918", + "ZAVESCA" + ], + "smiles": "CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", + "atc_code": "A16AX06" + }, + "CHEMBL942_approved": { + "title": "BISACODYL", + "synonyms": [ + "BIOLAX", + "BISACODYL", + "Bisacodyl", + "DULCODOS", + "DULCOLAX", + "ENTROLAX", + "EVAC-Q-TABS", + "MODANE", + "NSC-755914" + ], + "smiles": "CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1", + "atc_code": "A06AB02 | A06AG02 | A06AB52" + }, + "CHEMBL503_approved": { + "title": "LOVASTATIN", + "synonyms": [ + "6.ALPHA.-METHYLCOMPACTIN", + "ALTOPREV", + "C10AA02", + "L-154803", + "LOVASTATIN", + "MEVACOR", + "MEVINACOR", + "MEVINACOR 10", + "MEVINACOR 40", + "MEVINOLIN", + "MEVLOR", + "MK-803", + "MONACOLIN K", + "NSC-758662", + "SIMVASTATIN IMPURITY, LOVASTATIN-", + "SIVLOR" + ], + "smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", + "atc_code": "C10AA02" + }, + "CHEMBL1189679_approved": { + "title": "PALONOSETRON", + "synonyms": [ + "(-)-PALONOSETRON", + "Aurothioglucose", + "NSC-743769", + "PALONOSETRON", + "PALONOSETRON, (3AS, 3S)-" + ], + "smiles": "O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2", + "atc_code": "A04AA55 | A04AA05" + }, + "CHEMBL436_approved": { + "title": "TOLRESTAT", + "synonyms": [ + "ALREDASE", + "AY-27,773", + "AY-27773", + "Alderase", + "TOLRESTAT" + ], + "smiles": "COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F", + "atc_code": "A10XA01" + }, + "CHEMBL1201101_approved": { + "title": "TESTOSTERONE CYPIONATE", + "synonyms": [ + "Andro-Cyp", + "DEPO-TESTOSTERONE", + "DepAndro", + "Depo-Testadiol", + "Depotest", + "NSC-9157", + "TESTOSTERONE 17.BETA.-CYCLOPENTANEPROPIONATE", + "TESTOSTERONE CIPIONATE", + "TESTOSTERONE CYCLOPENTYLPROPIONATE", + "TESTOSTERONE CYPIONATE", + "TESTOSTERONE CYPIONATE CIII" + ], + "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", + "atc_code": null + }, + "CHEMBL2103758_approved": { + "title": "PRAMLINTIDE", + "synonyms": [ + "AC-0137", + "AC-137", + "AC0137", + "AC137", + "PRAMLINTIDE", + "TRIPRO-AMYLIN" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O", + "atc_code": "A10BX05" + }, + "CHEMBL1201198_approved": { + "title": "PEMIROLAST", + "synonyms": [ + "PEMIROLAST", + "PEMIROX", + "PERMIROLAST" + ], + "smiles": "Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12", + "atc_code": null + }, + "CHEMBL1492_approved": { + "title": "DIPHENYLPYRALINE", + "synonyms": [ + "DIPHENYLPYRALINE", + "Diphenylpyraline" + ], + "smiles": "CN1CCC(OC(c2ccccc2)c2ccccc2)CC1", + "atc_code": "R06AA07 | R06AA57" + }, + "CHEMBL3039520_approved": { + "title": "LASMIDITAN", + "synonyms": [ + "COL-144", + "LASMIDITAN", + "LY573144", + "Lasmiditan" + ], + "smiles": "CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1", + "atc_code": "N02CC08" + }, + "CHEMBL607400_approved": { + "title": "BRIVARACETAM", + "synonyms": [ + "BRIVARACETAM", + "BRIVIACT", + "Briviact (in Italy: Nubriveo)", + "UCB 34714", + "UCB-34714" + ], + "smiles": "CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1", + "atc_code": "N03AX23" + }, + "CHEMBL1242_approved": { + "title": "PHENAZOPYRIDINE", + "synonyms": [ + "NSC-145895", + "PHENAZOPYRIDINE", + "Phenazopyridine" + ], + "smiles": "Nc1ccc(/N=N/c2ccccc2)c(N)n1", + "atc_code": "G04BX06" + }, + "CHEMBL1075_approved": { + "title": "MORICIZINE", + "synonyms": [ + "EN-313", + "EN-313 FREE BASE", + "ETHMOZINE", + "MORACIZINE", + "MORICIZINE", + "Moricizine" + ], + "smiles": "CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2", + "atc_code": "C01BG01" + }, + "CHEMBL1561_approved": { + "title": "MIGLITOL", + "synonyms": [ + "BAY M 1099", + "BAY-M-1099", + "Diastabol", + "GLYSET", + "MIGLITOL", + "NSC-758702" + ], + "smiles": "OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO", + "atc_code": "A10BF02" + }, + "CHEMBL255863_approved": { + "title": "NILOTINIB", + "synonyms": [ + "AMN 107", + "AMN-107", + "AMN107", + "NILOTINIB", + "NSC-747599" + ], + "smiles": "Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1", + "atc_code": "L01EA03" + }, + "CHEMBL2365665_approved": { + "title": "DESLORELIN", + "synonyms": [ + "D-TRP LHRH-PEA", + "D-TRP-LHRH-PEA", + "DESLORELIN" + ], + "smiles": "CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1", + "atc_code": null + }, + "CHEMBL607710_approved": { + "title": "CHLORPHENESIN CARBAMATE", + "synonyms": [ + "CHLORPHENESIN", + "CHLORPHENESIN CARBAMATE", + "MAOLATE", + "NSC-6401", + "NSC-82943", + "U-19,646", + "U-19646" + ], + "smiles": "NC(=O)OCC(O)COc1ccc(Cl)cc1", + "atc_code": "D01AE07" + }, + "CHEMBL1289494_approved": { + "title": "TIVOZANIB", + "synonyms": [ + "ASP-4130", + "AV-951", + "FOTIVDA", + "KIL8951", + "KRN-951", + "Kil-8951", + "TIVOZANIB", + "Tivozanib" + ], + "smiles": "COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC", + "atc_code": "L01EK03" + }, + "CHEMBL1763_approved": { + "title": "HYDROFLUMETHIAZIDE", + "synonyms": [ + "DIUCARDIN", + "HYDRENOX", + "HYDROFLUMETHIAZIDE", + "Hydroflumethiazide", + "NSC-44627", + "SALURON" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O", + "atc_code": "C03AA02 | C03AH02" + }, + "CHEMBL1201234_approved": { + "title": "MEPHENTERMINE", + "synonyms": [ + "MEPHENTERMINE", + "Mephentermine" + ], + "smiles": "CNC(C)(C)Cc1ccccc1", + "atc_code": "C01CA11" + }, + "CHEMBL1200934_approved": { + "title": "NORGESTIMATE", + "synonyms": [ + "DEXNORGESTREL ACETIME", + "NORGESTIMATE", + "NSC-759159", + "ORF 10131", + "ORF-10131", + "RWJ 10131", + "RWJ-10131" + ], + "smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC", + "atc_code": null + }, + "CHEMBL1355_approved": { + "title": "SODIUM CITRATE", + "synonyms": [ + "ANHYDROUS SODIUM CITRATE", + "ANHYDROUS TRISODIUM CITRATE", + "ANTICOAGULANT SODIUM CITRATE", + "CANESTEN OASIS", + "CITRIC ACID, TRISODIUM SALT", + "CITROSODINE", + "CYMALON", + "CYSTEMME", + "CYSTOCALM", + "CYSTOLEVE", + "E-331(III)", + "E331", + "FEMA NO. 3026", + "FEMA NO. 3026, ANHYDROUS-", + "INS NO.331(III)", + "INS-331(III)", + "Isolyte E", + "MICOLETTE", + "MICRALAX", + "N-1560", + "NATRII CITRAS", + "NATRII CITRAS, DEHYDRATE", + "NATROCITRAL", + "RELAXIT", + "SOD CIT", + "SODIUM CITRATE", + "SODIUM CITRATE ANHYDROUS", + "SODIUM CITRATE DIHYDRATE", + "SODIUM CITRATE HYDRATE", + "SODIUM CITRATE HYDROUS", + "SODIUM CITRATE, ANHYDROUS", + "SODIUM CITRATE,ANHYDROUS", + "TRISODIUM CITRATE, ANHYDROUS", + "URISAL" + ], + "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]", + "atc_code": "B05CB02" + }, + "CHEMBL450895_approved": { + "title": "NYSTATIN", + "synonyms": [ + "BARSTATIN 100", + "CANDEX", + "INFESTAT", + "KOROSTATIN", + "L-NYSTATIN", + "MIKOSTATIN", + "MULTILIND", + "MYCOSTATIN", + "MYKINAC", + "Myco 20", + "NILSTAT", + "NSC-150817", + "NYSERT", + "NYSPES", + "NYSTAFORM", + "NYSTAN TRIPLE PACK", + "NYSTATIN", + "NYSTATINUM", + "NYSTAVESCENT", + "NYSTEX", + "NYSTOP", + "TERRASTATIN", + "TINADERM M" + ], + "smiles": "C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O", + "atc_code": "A07AA02 | D01AA01 | G01AA01 | G01AA51" + }, + "CHEMBL821_approved": { + "title": "GUANIDINE", + "synonyms": [ + "GUANIDINE", + "Guanidine" + ], + "smiles": "N=C(N)N", + "atc_code": null + }, + "CHEMBL660_approved": { + "title": "AMANTADINE", + "synonyms": [ + "AMANTADINE", + "AMANTIDINE", + "Amantadine", + "NSC-341865", + "Symadine", + "Symmetrel", + "TCMDC-125869" + ], + "smiles": "NC12CC3CC(CC(C3)C1)C2", + "atc_code": "N04BB01" + }, + "CHEMBL284348_approved": { + "title": "DALFAMPRIDINE", + "synonyms": [ + "AMPYRA", + "Ampyra Extended Release", + "DALFAMPRIDINE", + "Dalfampridine", + "EL-970", + "FAMPRIDINE", + "FAMPRIDINE (4-AMINOPYRIDINE)", + "FAMPYRA", + "Fampridine Accord", + "NSC-15041" + ], + "smiles": "Nc1ccncc1", + "atc_code": "N07XX07" + }, + "CHEMBL2035187_approved": { + "title": "PACRITINIB", + "synonyms": [ + "ONX-0803", + "PACRITINIB", + "Pacritinib", + "SB-1518", + "SB1518" + ], + "smiles": "C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2", + "atc_code": "L01EJ03" + }, + "CHEMBL1221_approved": { + "title": "SULCONAZOLE", + "synonyms": [ + "Exelderm", + "SULCONAZOLE", + "Sulconazole" + ], + "smiles": "Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1", + "atc_code": "D01AC09" + }, + "CHEMBL498847_approved": { + "title": "SECNIDAZOLE", + "synonyms": [ + "Deprozol", + "Flagentyl", + "NSC-759812", + "ORNIDAZOLE METABOLITE M4", + "PM-185184", + "RP 14539", + "RP-14539", + "SECNIDAL", + "SECNIDAZOLE", + "SECNIDAZOLE ANHYDROUS", + "SOLOSEC", + "SYM-1219", + "Sabima", + "Secnol" + ], + "smiles": "Cc1ncc([N+](=O)[O-])n1CC(C)O", + "atc_code": "P01AB07" + }, + "CHEMBL86715_approved": { + "title": "PROCYCLIDINE", + "synonyms": [ + "ELORINE", + "KEMADRINE", + "LERGINE", + "NSC-169103", + "PROCYCLIDINE", + "TRICOLOID", + "VAGOSIN" + ], + "smiles": "OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1", + "atc_code": "N04AA04" + }, + "CHEMBL494_approved": { + "title": "ILOPROST", + "synonyms": [ + "CILOPROST", + "ENDOPROST", + "ILOMEDIN", + "ILOPROST", + "VENTAVIS", + "ZK 00036374", + "ZK-00036374", + "ZK-36374" + ], + "smiles": "CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O", + "atc_code": "B01AC11" + }, + "CHEMBL108_approved": { + "title": "CARBAMAZEPINE", + "synonyms": [ + "ARBIL MR", + "BISTON", + "CARBAGEN SR", + "CARBAMAZEPINE", + "CARBAMAZEPINE ANHYDROUS", + "CARBAMAZEPINE EXTENDED RELEASE", + "CARBAMAZEPINUM", + "CARBATROL", + "CARNEXIV", + "EPIMAZ", + "EPIMAZ RET", + "EPITOL", + "EQUETRO", + "FINLEPSIN", + "G-32883", + "GEIGY 32883", + "KARBAMAZEPIN", + "KARBELEX", + "NEUROTOL", + "NEUROTOP", + "NSC-169864", + "SIRTAL", + "SIRTAL RET", + "STAZEPINE", + "TEGRETAL", + "TEGRETOL", + "TEGRETOL CHEWTAB", + "TEGRETOL PROLONGED RELEASE", + "TEGRETOL-XR", + "TELESMIN", + "TERIL", + "TERIL RET", + "TIMONIL", + "TIMONIL 200 RET", + "TIMONIL 400 RET", + "Tegretol XR" + ], + "smiles": "NC(=O)N1c2ccccc2C=Cc2ccccc21", + "atc_code": "N03AF01" + }, + "CHEMBL847_approved": { + "title": "OXAMNIQUINE", + "synonyms": [ + "NSC-352888", + "OXAMNIQUINE", + "OXAMNIQUINUM", + "UK-4261", + "UK-4271", + "VANSIL" + ], + "smiles": "CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1", + "atc_code": "P02BA02" + }, + "CHEMBL3218576_approved": { + "title": "COPANLISIB", + "synonyms": [ + "BAY 80-6946", + "BAY-80-6946", + "BAY80-6946", + "COPANLISIB", + "Copanlisib" + ], + "smiles": "COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21", + "atc_code": "L01EM02" + }, + "CHEMBL1725_approved": { + "title": "IOPROMIDE", + "synonyms": [ + "IOPROMIDE", + "PROSCOPE", + "ULTRAVIST (PHARMACY BULK)", + "ULTRAVIST 150", + "ULTRAVIST 240", + "ULTRAVIST 300", + "ULTRAVIST 370", + "ZK 35760", + "ZK-35760" + ], + "smiles": "COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I", + "atc_code": "V08AB05" + }, + "CHEMBL1201015_approved": { + "title": "ALUMINUM ACETATE", + "synonyms": [ + "ACETIC ACID, ALUMINUM SALT", + "ACETIC ACID, ALUMINUM SALT (3:1)", + "ALUMINIUM ACETATE", + "ALUMINUM ACETATE", + "BURO-SOL" + ], + "smiles": "CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]", + "atc_code": null + }, + "CHEMBL19299_approved": { + "title": "LOXOPROFEN", + "synonyms": [ + "LOXOPROFEN", + "LOXOPROFEN ACID", + "LOXOPROFEN SODIUM" + ], + "smiles": "CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1", + "atc_code": "M02AA31" + }, + "CHEMBL222913_approved": { + "title": "CEFTIOFUR", + "synonyms": [ + "CEFTIOFUR", + "CEFTIOFUR CRYSTALLINE FREE ACID", + "Ceftiofur", + "NAXCEL", + "Naxcel" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSC(=O)c3ccco3)CS[C@H]12)c1csc(N)n1", + "atc_code": null + }, + "CHEMBL1230314_approved": { + "title": "ESTETROL", + "synonyms": [ + "15.ALPHA.-HYDROXYESTRIOL", + "E-4", + "E4", + "ESTETROL", + "ESTETROL (ANHYDROUS)", + "ESTETROL (E4)", + "ESTETROL (HYDROUS)", + "ESTETROL ANHYDROUS", + "ESTETROL HYDRATE", + "ESTETROL MONOHYDRATE" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O", + "atc_code": null + }, + "CHEMBL716_approved": { + "title": "QUETIAPINE", + "synonyms": [ + "ATROLAK XL", + "BIQUELLE XL", + "BRANCICO XL", + "EBESQUE XL", + "MINTRELEQ XL", + "NORSIC", + "NSC-758918", + "PSYQUET XL", + "QUETIAPINE", + "QUETIAPINE EXTENDED RELEASE", + "Quetiapine", + "SEOTIAPIM XL", + "SEROQUEL", + "SEROQUEL XL", + "SONDATE XL", + "TENPROLIDE XL", + "ZALURON XL" + ], + "smiles": "OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1", + "atc_code": "N05AH04" + }, + "CHEMBL2105897_approved": { + "title": "BARIUM SULFATE", + "synonyms": [ + "BARII SULFAS", + "BARITE (BA(SO4))", + "BARIUM SULFATE", + "BARYTES", + "C.I. PIGMENT WHITE 21", + "C.I. PIGMENT WHITE 22", + "CI 77120", + "E-Z-CAT DRY", + "E-Z-HD", + "E-Z-PAQUE", + "ENTERO VU 24%", + "LIQUID E-Z-PAQUE", + "READI-CAT 2", + "READI-CAT 2 SMOOTHIE", + "READI-CAT 2 SMOOTHIES", + "READI-CAT2", + "READI-CAT2 SMOOTHIES", + "SACHTOPERSE AB-TM 18383", + "SPEZIALSORTE AI", + "TAGITOL V", + "VARIBAR", + "VARIBAR HONEY", + "VARIBAR NECTAR", + "VARIBAR PUDDING", + "VARIBAR THIN HONEY", + "VARIBAR THIN LIQUID", + "VOLUMEN" + ], + "smiles": "O=S(=O)([O-])[O-].[Ba+2]", + "atc_code": null + }, + "CHEMBL3301624_approved": { + "title": "SETMELANOTIDE", + "synonyms": [ + "BIM-22493", + "Imcivree", + "RM-493", + "SETMELANOTIDE", + "Setmelanotide" + ], + "smiles": "CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O", + "atc_code": "A08AA12" + }, + "CHEMBL69998_approved": { + "title": "FIROCOXIB", + "synonyms": [ + "Equioxx", + "FIROCOXIB", + "FIROCOXIB (EMA EPAR: VETERINARY)", + "LIBRENS", + "ML-1,785,713", + "ML-1785713", + "NSC-758895", + "PREVICOX" + ], + "smiles": "CC1(C)OC(=O)C(OCC2CC2)=C1c1ccc(S(C)(=O)=O)cc1", + "atc_code": null + }, + "CHEMBL197084_approved": { + "title": "TROFINETIDE", + "synonyms": [ + "ACP-2566", + "DAYBUE", + "NNZ-2566", + "TROFINETIDE" + ], + "smiles": "C[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CN", + "atc_code": null + }, + "CHEMBL71_approved": { + "title": "CHLORPROMAZINE", + "synonyms": [ + "AMINAZINE", + "CHLORPROMAZINE", + "CHLORPROMAZINE HIBENZATE", + "CHLORPROMAZINE PHENOLPHTHALINATE", + "CHLORPROMAZINE TANNATE", + "CHLORPROMAZINUM", + "Chlorpromazine", + "ESMIND", + "Elmarin", + "FENACTIL", + "J2.794D", + "LARGACTILOTHIAZINE", + "Largactil", + "Megaphen", + "NOVOMAZINA", + "NSC-167745", + "NSC-226514", + "PROPAPHENIN", + "SANOPRON", + "SKF-2601A", + "Sonazine", + "THORAZINE", + "WINTERMIN" + ], + "smiles": "CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21", + "atc_code": "N05AA01" + }, + "CHEMBL5315059_approved": { + "title": "OSATERONE ACETATE", + "synonyms": [ + "2-OXOCHLORMADINONE ACETATE", + "OSATERONE ACETATE ESTER", + "TZP-4238", + "Ypozane" + ], + "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C", + "atc_code": null + }, + "CHEMBL447_approved": { + "title": "SECOBARBITAL", + "synonyms": [ + "(RS)-SECOBARBITAL", + "EVRONAL", + "HYPOTROL", + "IMMENOX", + "MEBALLYMAL", + "QUINALBARBITAL", + "SECOBARBITAL", + "SECOBARBITAL CII", + "SECOBARBITAL SODIUM FREE ACID", + "SECOBARBITONE", + "SOMATARAX", + "Secobarbital" + ], + "smiles": "C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O", + "atc_code": "N05CA06" + }, + "CHEMBL1597_approved": { + "title": "DIMERCAPROL", + "synonyms": [ + "1-PROPANOL, 2,3-DIMERCAPTO", + "2,3,-DIMERCAPTO-1-PROPANOL", + "2,3-DITHIOPROPAN-1-OL", + "2,3-DITHIOPROPANOL", + "ANTOXOL", + "Anti-Lewisite", + "B.A.L.", + "BAL", + "DICAPTOL", + "DIMERCAPROL", + "DIMERCAPROLUM", + "DIMERSOL", + "Dimercaprol", + "NSC-39515", + "NSC-4646", + "PANOBAL", + "SULFACTIN", + "Sulfactin" + ], + "smiles": "OCC(S)CS", + "atc_code": "V03AB09" + }, + "CHEMBL1201056_approved": { + "title": "SULFACYTINE", + "synonyms": [ + "CI-636", + "NSC-356717", + "RENOQUID", + "SULFACITINE", + "SULFACYTINE" + ], + "smiles": "CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O", + "atc_code": null + }, + "CHEMBL891_approved": { + "title": "CLOXACILLIN", + "synonyms": [ + "CLOXACILLIN", + "Cloxacillin", + "Cloxapen", + "ORBENIN", + "Tegopen" + ], + "smiles": "Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O", + "atc_code": "J01CF02" + }, + "CHEMBL1200922_approved": { + "title": "MEBUTAMATE", + "synonyms": [ + "AXITEN", + "BUTATENSIN", + "CARBUTEN", + "DICAMOYLMETHANE", + "DORMATE", + "ENCAPLA", + "IPOTENSIVO", + "MEBUTAMAT", + "MEBUTAMATE", + "MEBUTINA", + "MIOARTRINA", + "NSC-163921", + "PREAN", + "PREMINEX", + "SIGMAFON", + "VALLENE", + "W-583" + ], + "smiles": "CCC(C)C(C)(COC(N)=O)COC(N)=O", + "atc_code": "N05BC04" + }, + "CHEMBL1641_approved": { + "title": "HYDROCORTISONE PHOSPHORIC ACID", + "synonyms": [ + "Hydrocortisone phosphate" + ], + "smiles": "C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O", + "atc_code": null + }, + "CHEMBL1201039_approved": { + "title": "BENZTHIAZIDE", + "synonyms": [ + "AQUATAG", + "BENZOTHIAZIDE", + "BENZTHIAZIDE", + "EXNA", + "FOVANE", + "NSC-755902", + "URESE" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O", + "atc_code": null + }, + "CHEMBL435_approved": { + "title": "HYDROCHLOROTHIAZIDE", + "synonyms": [ + "APO-HYDRO", + "APRESAZIDE", + "CAROZIDE", + "CHLOROSULTHIADIL", + "COPALIA-HCT", + "DAFIRO-HCT", + "DIHYDROCHLORURITE", + "ESIDREX", + "ESIDRIX", + "EXFORGE-HCT", + "HCTZ", + "HIDROTIAZIDA", + "HYDRO-D", + "HYDROCHLOROTHIAIZIDE", + "HYDROCHLOROTHIAZIDE", + "HYDROCHLOROTHIAZIDE INTENSOL", + "HYDROCHLOROTHIAZIDUM", + "HYDRODIURIL", + "HYDROSALURIC", + "Hydrochlorothiazide", + "IDROTIAZIDE", + "IMPRIDA-HCT", + "LOTENSIN HCT", + "MEGADIURIL", + "MICROZIDE", + "NEWTOLIDE", + "NSC-53477", + "ORETIC", + "PANTEMON", + "RASILEZ-HCT", + "SERVITHIAZID", + "SU-5879", + "UNIPRES", + "VETIDREX", + "ZIDE" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O", + "atc_code": "C03AX01 | C03AA03" + }, + "CHEMBL139367_approved": { + "title": "PERAMIVIR ANHYDROUS", + "synonyms": [ + "PERAMIVIR ANHYDROUS", + "RWJ-270201" + ], + "smiles": "CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N", + "atc_code": "J05AH03" + }, + "CHEMBL1186610_approved": { + "title": "ANISOTROPINE", + "synonyms": [ + "Anisotropine", + "OCTATROPINE" + ], + "smiles": "CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C", + "atc_code": null + }, + "CHEMBL440_approved": { + "title": "THIAMYLAL", + "synonyms": [ + "NSC-120815", + "THIAMYLAL", + "Thiamylal" + ], + "smiles": "C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O", + "atc_code": null + }, + "CHEMBL1200585_approved": { + "title": "OXYMETHOLONE", + "synonyms": [ + "ANADROL-50", + "ANAPOLON", + "ANAPOLON 50", + "ANASTERON", + "Anadrol", + "CI-406", + "HMD", + "NSC-26,198", + "NSC-26198", + "OXIMETHOLONE", + "OXYMETHOLONE", + "OXYMETHOLONE CIII", + "PARDROYD" + ], + "smiles": "C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", + "atc_code": "A14AA05" + }, + "CHEMBL3286830_approved": { + "title": "LORLATINIB", + "synonyms": [ + "LORBRENA", + "LORLATINIB", + "Lorviqua", + "PF-06463922" + ], + "smiles": "C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21", + "atc_code": "L01ED05" + }, + "CHEMBL42_approved": { + "title": "CLOZAPINE", + "synonyms": [ + "CLOZAPINE", + "CLOZAPINE (CARACO)", + "CLOZAPINE (CLOZARIL)", + "CLOZAPINE (FAZACLO)", + "CLOZAPINE (IVAX)", + "CLOZAPINE (MYLAN)", + "CLOZAPINE (TEVA)", + "CLOZAPINE (UDL)", + "CLOZAPINE (VERSACLOZ)", + "CLOZAPINE RESOLUTION MIXTURE", + "CLOZARIL", + "FAZACLO ODT", + "HF 1854", + "HF-1854", + "LEPONEX", + "NSC-757429", + "VERSACLOZ", + "ZAPONEX" + ], + "smiles": "CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1", + "atc_code": "N05AH02" + }, + "CHEMBL3085436_approved": { + "title": "VIOMYCIN", + "synonyms": [ + "CELIOMYCIN", + "FLORIMYCIN", + "TUBERACTINOMYCIN B", + "VINACETIN A", + "VIOACTANE", + "VIOMYCIN" + ], + "smiles": "NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O", + "atc_code": null + }, + "CHEMBL1201262_approved": { + "title": "DIPIVEFRIN", + "synonyms": [ + "DIPIVALYL EPINEPHRINE", + "DIPIVEFRIN", + "DIPIVEFRINE", + "DPE" + ], + "smiles": "CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1", + "atc_code": "S01EA02" + }, + "CHEMBL1241951_approved": { + "title": "LETERMOVIR", + "synonyms": [ + "AIC 246", + "AIC-246", + "AIC246", + "LETERMOVIR", + "MK-8228", + "Prevymis" + ], + "smiles": "COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1", + "atc_code": "J05AX18" + }, + "CHEMBL2103830_approved": { + "title": "FOSTAMATINIB", + "synonyms": [ + "FOSTAMATINIB", + "Fostamatinib", + "R-788", + "R-788 FREE ACID", + "R-935788", + "R-935788 FREE ACID", + "R788 FREE ACID", + "R935788 FREE ACID" + ], + "smiles": "COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC", + "atc_code": "B02BX09" + }, + "CHEMBL83063_approved": { + "title": "RITODRINE", + "synonyms": [ + "DU-21220", + "RITODRINE" + ], + "smiles": "CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1", + "atc_code": "G02CA01" + }, + "CHEMBL437_approved": { + "title": "SULFATHIAZOLE", + "synonyms": [ + "NSC-31812", + "NSC-683531", + "SULFATHIAZOLE", + "SULPHATHIAZOLE", + "Sulfathiazole", + "THIAZAMIDE", + "TRIPLE SULFA (SULFATHIAZOLE)" + ], + "smiles": "Nc1ccc(S(=O)(=O)Nc2nccs2)cc1", + "atc_code": "D06BA02 | J01EB07" + }, + "CHEMBL1243_approved": { + "title": "SULFABENZAMIDE", + "synonyms": [ + "NSC-74587", + "SULFABENZAMIDE", + "Sulfabenzamide", + "TRIPLE SULFA (SULFABENZAMIDE)" + ], + "smiles": "Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1", + "atc_code": null + }, + "CHEMBL1201064_approved": { + "title": "FLUOROMETHOLONE ACETATE", + "synonyms": [ + "FLAREX", + "FLUOROMETHOLONE 17-ACETATE", + "FLUOROMETHOLONE ACETATE", + "NSC-47438", + "U-17,323", + "U-17323" + ], + "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL1648_approved": { + "title": "ISRADIPINE", + "synonyms": [ + "DYNACIRC", + "DYNACIRC CR", + "ISRADIPINE", + "ISRODIPINE", + "NSC-759892", + "PN 200-110", + "PN-200-110", + "PRESCAL" + ], + "smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12", + "atc_code": "C08CA03" + }, + "CHEMBL1201300_approved": { + "title": "IOTHALAMIC ACID", + "synonyms": [ + "IOTALAMIC ACID", + "IOTHALAMATE", + "IOTHALAMIC ACID", + "MI-216", + "NSC-759891" + ], + "smiles": "CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I", + "atc_code": "V08AA04" + }, + "CHEMBL4297526_approved": { + "title": "REMIMAZOLAM", + "synonyms": [ + "BYFAVO", + "CNS 7056", + "CNS-7056", + "ONO-2745", + "REMIMAZOLAM" + ], + "smiles": "COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21", + "atc_code": "N05CD14" + }, + "CHEMBL1200545_approved": { + "title": "DIFLORASONE DIACETATE", + "synonyms": [ + "DIFLORASONE", + "DIFLORASONE DIACETATE", + "FLORONE", + "FLORONE E", + "MURODE", + "PSORCON", + "PSORCON E", + "U-34,865", + "U-34865" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "D07AC10" + }, + "CHEMBL1201048_approved": { + "title": "DROMOSTANOLONE PROPIONATE", + "synonyms": [ + "32379", + "DROLBAN", + "DROMOSTANOLONE PROPIONATE", + "DROSTANOLONE PROPIONATE", + "MASTERID", + "MASTERIL", + "MASTERON", + "NSC-12198", + "NSC-1298", + "PERMASTRIL" + ], + "smiles": "CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL445_approved": { + "title": "NORTRIPTYLINE", + "synonyms": [ + "ALLEGRON", + "AVENTYL", + "DESITRIPTILINA", + "LUMBECK", + "MOTIPRESS", + "MOTIVAL", + "NCI-169453", + "NORAMITRIPTYLINE", + "NORTRILEN", + "NORTRIPTYLINE", + "NSC-757234", + "Nortriptyline", + "Pamelor", + "SESAVAL" + ], + "smiles": "CNCCC=C1c2ccccc2CCc2ccccc21", + "atc_code": "N06AA10" + }, + "CHEMBL803_approved": { + "title": "CYTARABINE", + "synonyms": [ + "ALEXAN", + "ALEXAN 100", + "ARA-C", + "ARA-CYTIDINE", + "ARABINOCYTOSINE", + "ARABINOSYL CYTOSINE", + "ARACYTIDINE", + "ARACYTIN", + "ARACYTINE", + "CYTARABINE", + "CYTARABINE LIPOSOME", + "CYTARABINOSIDE", + "CYTARABINUM", + "CYTOSAR", + "CYTOSAR-U", + "DEPOCYT", + "DepoCyte", + "NSC-287459", + "SPONGOCYTIDINE", + "Tarabine PFS", + "U 19920A", + "U-19,920", + "U-19920" + ], + "smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1", + "atc_code": "L01BC01" + }, + "CHEMBL1200973_approved": { + "title": "ESTRADIOL CYPIONATE", + "synonyms": [ + "DEPO-ESTRADIOL", + "ESTRADIOL 17.BETA.-CYCLOPENTANEPROPANOATE", + "ESTRADIOL CIPIONATE", + "ESTRADIOL CYPIONATE", + "NSC-3354" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1", + "atc_code": null + }, + "CHEMBL41_approved": { + "title": "FLUOXETINE", + "synonyms": [ + "FLUOXETIN RATIOPHARM", + "FLUOXETINE", + "FLUVAL", + "Fluoxetine", + "NSC-283480", + "NSC-758685", + "Prozac", + "Sarafem", + "Symbyax" + ], + "smiles": "CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1", + "atc_code": "N06AB03" + }, + "CHEMBL638_approved": { + "title": "VORICONAZOLE", + "synonyms": [ + "NSC-759888", + "UK-109,496", + "UK-109496", + "VORICONAZOLE", + "Vfend" + ], + "smiles": "C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F", + "atc_code": "J02AC03" + }, + "CHEMBL900_approved": { + "title": "ORPHENADRINE", + "synonyms": [ + "Disipal", + "Invagesic", + "MEFENAMINE", + "MIALGIN", + "Norflex", + "Norgesic", + "ORPHENADRIN", + "ORPHENADRINE", + "Orphenadrine", + "Orphengesic" + ], + "smiles": "Cc1ccccc1C(OCCN(C)C)c1ccccc1", + "atc_code": "M03BC51" + }, + "CHEMBL866_approved": { + "title": "MYCOPHENOLIC ACID", + "synonyms": [ + "68618", + "MYCOPHENOLATE", + "MYCOPHENOLATE MOFETIL IMPURITY, MYCOPHENOLIC ACID-", + "MYCOPHENOLIC ACID", + "MYFORTIC", + "NSC-129185", + "RS-61443 [AS MOFETIL]" + ], + "smiles": "COc1c(C)c2c(c(O)c1C/C=C(\\C)CCC(=O)O)C(=O)OC2", + "atc_code": "L04AA06" + }, + "CHEMBL17_approved": { + "title": "DICHLORPHENAMIDE", + "synonyms": [ + "DARANIDE", + "DICHLORPHENAMIDE", + "DICLOFENAMIDE", + "Dichlorphenamide", + "KEVEYIS", + "ORATROL" + ], + "smiles": "NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1", + "atc_code": "S01EC02" + }, + "CHEMBL1657_approved": { + "title": "TAZAROTENE", + "synonyms": [ + "AGN 190168", + "AGN-190168", + "ARAZLO", + "AVAGE", + "FABIOR", + "IDP-123", + "TAZAROTENE", + "TAZORAC", + "ZORAC" + ], + "smiles": "CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1", + "atc_code": "D05AX05" + }, + "CHEMBL959_approved": { + "title": "RIMANTADINE", + "synonyms": [ + "RIMANTADINE", + "Rimantadin" + ], + "smiles": "CC(N)C12CC3CC(CC(C3)C1)C2", + "atc_code": "J05AC02" + }, + "CHEMBL504_approved": { + "title": "DIMETHYL SULFOXIDE", + "synonyms": [ + "DIMETHYL SULFOXIDE", + "DMSO", + "Domoso", + "Infiltrina", + "NSC-763", + "RIMSO-50", + "Rimso 50", + "SQ 9453", + "SQ-9453", + "Syntexan" + ], + "smiles": "C[S+](C)[O-]", + "atc_code": "G04BX13 | M02AX03" + }, + "CHEMBL1201112_approved": { + "title": "NELARABINE", + "synonyms": [ + "506U", + "506U78", + "ARRANON", + "ATTRIANCE", + "Atriance", + "GW-506U78", + "MAY", + "NELARABINE", + "NELZARABINE", + "NSC-686673", + "NSC-755985", + "NSC-759876", + "Nelzarabine" + ], + "smiles": "COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O", + "atc_code": "L01BB07" + }, + "CHEMBL1384_approved": { + "title": "KANAMYCIN", + "synonyms": [ + "KANAMYCIN", + "KANAMYCINS", + "Kanamycin" + ], + "smiles": "NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O", + "atc_code": "J01GB04 | S01AA24 | A07AA08" + }, + "CHEMBL1200600_approved": { + "title": "FLUOROMETHOLONE", + "synonyms": [ + "FLUATON", + "FLUOR-OP", + "FLUOROMETHOLONE", + "FML FORTE", + "FML FTE", + "FML-NEO", + "NSC-33001", + "OXYLONE" + ], + "smiles": "CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "S01BA07 | D07XB04 | D07AB06 | D10AA01 | S01CB05 | C05AA06" + }, + "CHEMBL203321_approved": { + "title": "BRINCIDOFOVIR", + "synonyms": [ + "BRINCIDOFOVIR", + "CMX 001", + "CMX-001", + "CMX001", + "HDP-CIDOFOVIR", + "HEXADECYLOXYPROPYL CIDOFOVIR", + "HEXADECYLOXYPROPYL-CIDOFOVIR", + "TEMBEXA" + ], + "smiles": "CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O", + "atc_code": "J05AB17" + }, + "CHEMBL1200623_approved": { + "title": "ETHYLESTRENOL", + "synonyms": [ + "DURABOLIN-O", + "DURABORAL", + "ETHYLESTRENOL", + "ETHYLNANDROL", + "ETHYLOESTRENOL", + "MAXIBOLIN", + "NSC-37726", + "ORABOLIN" + ], + "smiles": "CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C", + "atc_code": "A14AB02" + }, + "CHEMBL190461_approved": { + "title": "CANNABIDIOL", + "synonyms": [ + "(-)-CANNABIDIOL", + "(-)-CBD", + "(-)-TRANS-CANNABIDIOL", + ".DELTA.1(2)-TRANS-CANNABIDIOL", + "BTX-1204", + "BTX-1503", + "CANNABIDIOL", + "CANNABIDIOL SOLUTION", + "CARDIOLRX", + "CBD", + "EPIDIOLEX", + "Epidyolex", + "GWP-42003", + "GWP-42003-P", + "GWP42003", + "GWP42003-P" + ], + "smiles": "C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O", + "atc_code": "N03AX24" + }, + "CHEMBL1584_approved": { + "title": "PIPERACETAZINE", + "synonyms": [ + "NSC-760067", + "PC-1421", + "PIPERACETAZINE", + "QUIDE" + ], + "smiles": "CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2", + "atc_code": null + }, + "CHEMBL3989767_approved": { + "title": "CALCITONIN SALMON", + "synonyms": [ + "CALCIMAR", + "CALCITONIN (SALMON SYNTHETIC)", + "CALCITONIN SALMON", + "CALCITONIN SALMON RECOMBINANT", + "CALCITONIN-SALMON", + "FORTICAL", + "Forcaltonin", + "MIACALCIN" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O", + "atc_code": "H05BA01" + }, + "CHEMBL1165_approved": { + "title": "MOEXIPRIL", + "synonyms": [ + "MOEXIPRIL", + "Moexipril", + "RS-10085", + "Uniretic", + "Univasc" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O", + "atc_code": "C09AA13" + }, + "CHEMBL384467_approved": { + "title": "DEXAMETHASONE", + "synonyms": [ + "AEROSEB-DEX", + "DECADERM", + "DECADRON", + "DECADRON-75", + "DECASPRAY", + "DEXACORTISYL", + "DEXAFREE", + "DEXAMETHASONE", + "DEXAMETHASONE INTENSOL", + "DEXAMETHASONE METASULFOBENZOATE SODIUM", + "DEXAMETHASONE PALMITATE", + "DEXAMETHASONE VALERATE", + "DEXONE 0.5", + "DEXONE 0.75", + "DEXONE 1.5", + "DEXONE 4", + "DEXSOL", + "DEXTENZA", + "DEXYCU", + "DEXYCU KIT", + "DROPODEX", + "Dalalone", + "Decadron-LA", + "Dexacen-4", + "Dexacort", + "Dexair", + "Dexamethasone", + "Dexone", + "FLUORMETHYLPREDNISOLONE", + "GPPE EAR SPY", + "HEMADY", + "HEXADROL", + "ISV-305", + "Kortico Injection", + "MARTAPAN", + "MAXIDEX", + "MAXITROL", + "Mymethasone", + "NSC-34521", + "Neodecadron", + "ORADEXON", + "OTO-104", + "OTOMIZE", + "Ozurdex", + "SOFRADEX", + "SPERSADEX COMP", + "TOBRADEX" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", + "atc_code": "A01AC02 | R01AD03 | S02BA06 | S03BA01 | D07AB19 | D10AA03 | S01CB01 | C05AA09 | D07XB05 | H02AB02 | S01BA01" + }, + "CHEMBL479_approved": { + "title": "THIORIDAZINE", + "synonyms": [ + "DL-THIORIDAZINE", + "MELLARIL-S", + "MELLERETTE", + "MELLERIL", + "Mellaril", + "NOVORIDAZINE", + "RIDERIL", + "SONAPAX", + "THIORIDAZINE", + "THIORIDAZINE PROLONGATUM", + "THIORIL", + "TP-21" + ], + "smiles": "CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2", + "atc_code": "N05AC02" + }, + "CHEMBL462394_approved": { + "title": "METRIZAMIDE", + "synonyms": [ + "AMIPAQUE", + "METRIZAMIDE", + "TELEBRIX 300", + "WIN 39103", + "WIN-39103" + ], + "smiles": "CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I", + "atc_code": "V08AB01" + }, + "CHEMBL2104975_approved": { + "title": "MITRATAPIDE", + "synonyms": [ + "MITRATAPIDE", + "R-103757", + "R103757", + "YARVITAN", + "Yarvitan" + ], + "smiles": "CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](CSc6nncn6C)(c6ccc(Cl)cc6)O5)cc4)CC3)cc2)c1=O", + "atc_code": null + }, + "CHEMBL1046_approved": { + "title": "AMINOCAPROIC ACID", + "synonyms": [ + ".EPSILON.-AMINOCAPROIC ACID", + "177 J.D", + "177 J.D.", + "177 JD", + "177-JD", + "6-AMINOCAPROIC ACID", + "AMICAR", + "AMINOCAPROIC", + "AMINOCAPROIC ACID", + "CL 10304", + "CL-10304", + "CY-116", + "EACA", + "EPSIKAPRON", + "EPSILCAPRAMIN", + "EPSILON-AMINOCAPROIC ACID", + "HEXANOIC ACID, 6-AMINO-", + "NSC-26154", + "NSC-400230" + ], + "smiles": "NCCCCCC(=O)O", + "atc_code": "B02AA01" + }, + "CHEMBL451_approved": { + "title": "CHLORDIAZEPOXIDE", + "synonyms": [ + "A-Poxide", + "CHLORDIAZEPOXIDE", + "CHLORDIAZEPOXIDE CIV", + "CLOPOXIDE", + "Chlordiazachel", + "Chlordiazepoxide", + "Clopoxide", + "LIBRELEASE", + "LIBRITABS", + "Librium", + "Lygen", + "SARLIB", + "Trakipeal", + "Zeisin" + ], + "smiles": "CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1", + "atc_code": "N05BA02" + }, + "CHEMBL1263_approved": { + "title": "SALMETEROL", + "synonyms": [ + "BEGLAN", + "CRYOGENINE", + "GR 33343 X", + "GR-33343-X", + "GR-33343X", + "NEOVENT", + "NSC-272693", + "SALMATEROL", + "SALMETEROL", + "SEREVENT", + "SN408D", + "SOLTEL", + "Salmeterol", + "Serevent", + "VERTINE" + ], + "smiles": "OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O", + "atc_code": "R03AC12" + }, + "CHEMBL27193_approved": { + "title": "DILEVALOL", + "synonyms": [ + "(R,R)-LABETALOL", + "DILEVALOL", + "LABETALOL (R,R)-FORM" + ], + "smiles": "C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1", + "atc_code": null + }, + "CHEMBL621_approved": { + "title": "TRAZODONE", + "synonyms": [ + "Desyrel", + "J10.767K", + "TRAZODONE", + "TRITTICO", + "Trazodone", + "Trialodine" + ], + "smiles": "O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12", + "atc_code": "N06AX05" + }, + "CHEMBL180022_approved": { + "title": "NERATINIB", + "synonyms": [ + "CDP-820", + "HKI-272", + "NERATINIB", + "Neratinib", + "WAY-179272" + ], + "smiles": "CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C", + "atc_code": "L01EH02" + }, + "CHEMBL4594267_approved": { + "title": "TASIPIMIDINE", + "synonyms": [ + "ODM-105", + "ORM-19695", + "TASIPIMIDINE" + ], + "smiles": "COc1cccc2c1CCOC2C1=NCCN1", + "atc_code": null + }, + "CHEMBL1073_approved": { + "title": "GLIPIZIDE", + "synonyms": [ + "CP-28,720", + "CP-28720", + "GLIBENESE", + "GLIPIZIDE", + "GLIPIZIDE SLOW RELEASE", + "GLUCOTROL", + "GLUCOTROL XL", + "K 4024", + "K-4024", + "MINODIAB 2.5", + "MINODIAB 5", + "NSC-759120" + ], + "smiles": "Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1", + "atc_code": "A10BB07" + }, + "CHEMBL1625_approved": { + "title": "OXYBENZONE", + "synonyms": [ + "ADVASTAB 45", + "BENZOPHENONE-3", + "NSC-7778", + "ONGROSTAB HMB", + "OXYBENZONE", + "TINOSORB B 3", + "UVINUL 40", + "VIOSORB 110" + ], + "smiles": "COc1ccc(C(=O)c2ccccc2)c(O)c1", + "atc_code": null + }, + "CHEMBL2107774_approved": { + "title": "ROBENACOXIB", + "synonyms": [ + "CGS 34975", + "CGS-34975", + "ONSIOR", + "Onsior", + "ROBENACOXIB" + ], + "smiles": "CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(=O)O)c1", + "atc_code": null + }, + "CHEMBL1200969_approved": { + "title": "DUTASTERIDE", + "synonyms": [ + "AVODART", + "AVOLVE", + "DUASTRIDE", + "DUTASTERIDE", + "GG-745", + "GI 198745", + "GI-198745", + "NSC-740477", + "NSC-759880" + ], + "smiles": "C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CC[C@@H]12", + "atc_code": "G04CB02" + }, + "CHEMBL1082407_approved": { + "title": "ENZALUTAMIDE", + "synonyms": [ + "ENZALUTAMIDE", + "MDV 3100", + "MDV-3100", + "MDV3100", + "Xtandi" + ], + "smiles": "CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F", + "atc_code": "L02BB04" + }, + "CHEMBL2219412_approved": { + "title": "AFOXOLANER", + "synonyms": [ + "A1443", + "AFOXOLANER", + "AH252723", + "Frontpro (previously known as Afoxolaner Merial)" + ], + "smiles": "O=C(CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)NCC(F)(F)F", + "atc_code": null + }, + "CHEMBL2220427_approved": { + "title": "ERYTHROMYCIN PROPIONATE", + "synonyms": [ + "ERYTHROMYCIN PROPIONATE", + "ERYTHROMYCIN, 2'-PROPIONATE", + "MONOPROPIONYLERYTHROMYCIN", + "PROPIOCINE" + ], + "smiles": "CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C", + "atc_code": null + }, + "CHEMBL1908325_approved": { + "title": "SELAMECTIN", + "synonyms": [ + "Chanhold", + "REVOLUTION", + "SELAMECTIN", + "UK-124,114", + "UK-124114" + ], + "smiles": "CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\\C=C\\[C@@H]2C)[C@]43O)O[C@@H](C)[C@@H]1O", + "atc_code": null + }, + "CHEMBL1259_approved": { + "title": "METOCURINE", + "synonyms": [ + "DIMETHYL TUBOCURARINE", + "DIMETHYLTUBOCURARINIUM", + "Dimethyltubocurarine", + "METOCURINE CATION", + "METOCURINE ION", + "Metocurine" + ], + "smiles": "COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3", + "atc_code": null + }, + "CHEMBL272427_approved": { + "title": "TAURURSODIOL", + "synonyms": [ + "TAUROURSODEOXYCHOLIC ACID", + "TAUROURSODESOXYCHOLIC ACID", + "TAURURSODIOL", + "UR-906", + "URSODEOXYCHOLYLTAURINE", + "URSODOXICOLTAURINE", + "Ursodeoxy Cholic Acid" + ], + "smiles": "C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL1200449_approved": { + "title": "TRIAMCINOLONE DIACETATE", + "synonyms": [ + "ARISTOCORT", + "ARISTOCORT FORTE", + "KENACORT", + "NSC-757356", + "Orion", + "Polcortolon", + "TRIAMCINOLONE 16,21-DIACETATE", + "TRIAMCINOLONE DIACETATE", + "Tedarol" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL1200733_approved": { + "title": "DESFLURANE", + "synonyms": [ + "DESFLURANE", + "I-653", + "SUPRANE" + ], + "smiles": "FC(F)OC(F)C(F)(F)F", + "atc_code": "N01AB07" + }, + "CHEMBL1664_approved": { + "title": "FOSAMPRENAVIR", + "synonyms": [ + "FOSAMPRENAVIR", + "Fosamprenavir", + "GW-433908", + "GW433908", + "GW433908A" + ], + "smiles": "CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1", + "atc_code": "J05AE07" + }, + "CHEMBL815_approved": { + "title": "DINOPROST", + "synonyms": [ + "DINOPROST", + "Dinoprost", + "PGF2A", + "PGF2ALPHA", + "PROSMON", + "PROSTAGLANDIN F2-ALPHA", + "PROSTAGLANDIN F2.ALPHA.", + "PROSTAGLANDIN F2ALPHA", + "U-14,583", + "U-14583" + ], + "smiles": "CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O", + "atc_code": "G02AD01" + }, + "CHEMBL1229211_approved": { + "title": "DOLUTEGRAVIR", + "synonyms": [ + "DOLUTEGRAVIR", + "GSK 1349572", + "GSK-1349572", + "GSK1349572", + "S-349572", + "TIVICAY" + ], + "smiles": "C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", + "atc_code": "J05AJ03" + }, + "CHEMBL1364144_approved": { + "title": "METHYLPREDNISOLONE ACETATE", + "synonyms": [ + "DEPO-MEDROL", + "DEPO-MEDRONE", + "DepMedalone", + "M-PREDROL", + "MEDROL ACETATE", + "METHYL PREDNISOLONE ACETATE", + "METHYLPREDNISOLONE 21-ACETATE", + "METHYLPREDNISOLONE ACETATE", + "NEO-MEDRONE", + "NSC-48985" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL927_approved": { + "title": "CEFDINIR", + "synonyms": [ + "BMY-28488", + "CEFDINIR", + "CEFDINIR ANHYDROUS", + "CEFZON", + "CI-983", + "Cefzon", + "FK 482", + "FK-482", + "NSC-758926", + "OMNICEF" + ], + "smiles": "C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\O)c3csc(N)n3)[C@H]2SC1", + "atc_code": "J01DD15" + }, + "CHEMBL550_approved": { + "title": "PILOCARPINE", + "synonyms": [ + "OCUCARPINE", + "OCUSERT PILO-20", + "OCUSERT PILO-40", + "PILOCARPINE", + "PILOCARPINUM", + "PILOCARPOL", + "PILOKARPIN", + "SPERSACARPINE", + "SYNCARPINE" + ], + "smiles": "CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C", + "atc_code": "N07AX01 | S01EB01 | S01EB51" + }, + "CHEMBL1200438_approved": { + "title": "TIOCONAZOLE", + "synonyms": [ + "NSC-759169", + "TIOCONAZOLE", + "TROSYL", + "TZ-3", + "UK-20,349", + "UK-20349", + "VAGISTAT-1" + ], + "smiles": "Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1", + "atc_code": "G01AF08 | D01AC07" + }, + "CHEMBL746_approved": { + "title": "NEDOCROMIL", + "synonyms": [ + "FPL 59002", + "FPL-59002", + "NEDOCROMIL", + "Nedocromil" + ], + "smiles": "CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12", + "atc_code": "R01AC07 | R03BC03 | S01GX04" + }, + "CHEMBL2104464_approved": { + "title": "VEDAPROFEN", + "synonyms": [ + "CERM 10202", + "CERM-10202", + "PM 150", + "PM-150", + "QUADRISOL", + "Quadrisol", + "VEDAPROFEN", + "VEDAPROFEN FOR VETERINARY USE" + ], + "smiles": "CC(C(=O)O)c1ccc(C2CCCCC2)c2ccccc12", + "atc_code": null + }, + "CHEMBL4216467_approved": { + "title": "RIPRETINIB", + "synonyms": [ + "DCC-2618", + "Qinlock", + "RIPRETINIB" + ], + "smiles": "CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21", + "atc_code": "L01EX19" + }, + "CHEMBL449_approved": { + "title": "BUTABARBITAL", + "synonyms": [ + "BUTABARBITAL", + "BUTABARBITAL CIII", + "BUTATAB", + "Butabarbital", + "MEDARSED", + "NILOX", + "SEC-BUTOBARBITONE", + "SECBUTABARBITAL", + "SECBUTOBARBITONE", + "UNICELLES" + ], + "smiles": "CCC(C)C1(CC)C(=O)NC(=O)NC1=O", + "atc_code": null + }, + "CHEMBL146755_approved": { + "title": "OXALIC ACID", + "synonyms": [ + "Oxalic Acid", + "Oxalic Acid Dianion" + ], + "smiles": "O=C(O)C(=O)O", + "atc_code": null + }, + "CHEMBL1200647_approved": { + "title": "CANDICIDIN", + "synonyms": [ + "CANDICIDIN", + "VANOBID" + ], + "smiles": "CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1", + "atc_code": "G01AA04" + }, + "CHEMBL5315122_approved": { + "title": "BORTEZOMIB D-MANNITOL", + "synonyms": [ + "BORTEZOMIB D-MANNITOL ESTER", + "Bortezomib Accord" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1O[C@H]([C@H](O)CO)[C@@H]([C@H](O)CO)O1", + "atc_code": null + }, + "CHEMBL61593_approved": { + "title": "CYCLOTHIAZIDE", + "synonyms": [ + "35483", + "ANHYDRON", + "CYCLOTHIAZIDE", + "FLUIDIL", + "NSC-758431" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O", + "atc_code": "C03AA09" + }, + "CHEMBL2096637_approved": { + "title": "PYRETHRINS", + "synonyms": [ + "Pyrethrins" + ], + "smiles": "C=C/C=C\\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\\C)C(=O)OC)C2(C)C)CC1=O.C=C/C=C\\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O", + "atc_code": null + }, + "CHEMBL1201250_approved": { + "title": "BENZQUINAMIDE", + "synonyms": [ + "BENZCHINAMIDE", + "BENZQUINAMIDE", + "NSC-108159", + "NSC-169193", + "NSC-64375", + "P-2647", + "PROMECON" + ], + "smiles": "CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O", + "atc_code": null + }, + "CHEMBL1096146_approved": { + "title": "PONESIMOD", + "synonyms": [ + "ACT-128800", + "PONESIMOD", + "Ponesimod", + "Ponvory" + ], + "smiles": "CCC/N=C1\\S/C(=C\\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C", + "atc_code": "L04AA50" + }, + "CHEMBL1289_approved": { + "title": "HALOPROGIN", + "synonyms": [ + "HALOPROGIN", + "HALOTEX", + "M-1028", + "MYCANDEN", + "NSC-100071" + ], + "smiles": "Clc1cc(Cl)c(OCC#CI)cc1Cl", + "atc_code": "D01AE11" + }, + "CHEMBL1200868_approved": { + "title": "PHENYL AMINOSALICYLATE", + "synonyms": [ + "FENAMISAL", + "NSC-40144", + "PHENY-PAS-TEBAMIN", + "PHENYL AMINOSALICYLATE" + ], + "smiles": "Nc1ccc(C(=O)Oc2ccccc2)c(O)c1", + "atc_code": null + }, + "CHEMBL1614_approved": { + "title": "DESLANOSIDE", + "synonyms": [ + "CEDILANID-D", + "DEACETYLANATOSIDE C", + "DESACETYL-LANATOSIDE C", + "DESLANOSIDE", + "Deslanoside" + ], + "smiles": "C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](O)[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1", + "atc_code": "C01AA07" + }, + "CHEMBL2374220_approved": { + "title": "LEDIPASVIR", + "synonyms": [ + "GS-5885", + "LEDIPASVIR", + "LEDIPASVIR ACETONATE" + ], + "smiles": "COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C", + "atc_code": null + }, + "CHEMBL4301898_approved": { + "title": "E133", + "synonyms": null, + "smiles": "CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)O)c4)cc3C)cc2)cc1", + "atc_code": null + }, + "CHEMBL3137301_approved": { + "title": "SACUBITRIL", + "synonyms": [ + "AHU-377", + "AHU377", + "SACUBITRIL" + ], + "smiles": "CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O", + "atc_code": null + }, + "CHEMBL1201294_approved": { + "title": "DIPHENOXYLATE", + "synonyms": [ + "DIPHENOXYLATE", + "Diphenoxylate", + "IDS-ND-016" + ], + "smiles": "CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1", + "atc_code": "A07DA01" + }, + "CHEMBL1429_approved": { + "title": "DESMOPRESSIN", + "synonyms": [ + "DESMOPRESSIN", + "Desmopressin", + "H01BA02", + "SER-120", + "SER120" + ], + "smiles": "N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", + "atc_code": "H01BA02" + }, + "CHEMBL106_approved": { + "title": "FLUCONAZOLE", + "synonyms": [ + "ALKANAZOLE", + "BAYT-006267", + "BAYT006267", + "CANESTEN ORAL", + "DIFLUCAN", + "DIFLUCAN IN SODIUM CHLORIDE", + "DIFLUCAN ONE", + "DIFLUCONAZOLE", + "Diflucan", + "FLUCONAZOLE", + "FLUCONAZOLE IN SODIUM CHLORIDE", + "FLUCONAZOLI", + "NSC-758661", + "Triflucan", + "UK-49,858", + "UK-49858", + "ZOLTEC" + ], + "smiles": "OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F", + "atc_code": "J02AC01 | D01AC15" + }, + "CHEMBL4585668_approved": { + "title": "BELZUTIFAN", + "synonyms": [ + "BELZUTIFAN", + "MK-6482", + "MK6482", + "PT 2977", + "PT-2977", + "PT2977", + "WELIREG" + ], + "smiles": "CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F", + "atc_code": "L01XX74" + }, + "CHEMBL1200975_approved": { + "title": "CLOCORTOLONE PIVALATE", + "synonyms": [ + "CLOCORTOLONE 21-PIVALATE", + "CLOCORTOLONE PIVALATE", + "CLODERM", + "SH 863", + "SH-863" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C", + "atc_code": null + }, + "CHEMBL1200690_approved": { + "title": "LYPRESSIN", + "synonyms": [ + "8-L-LYSINEVASOPRESSIN", + "DIAPID", + "L-8", + "LYPRESSIN", + "LYSINE VASOPRESSIN", + "VASOPRESSIN PIG", + "VASOPRESSIN, 8-L-LYSINE" + ], + "smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", + "atc_code": "H01BA03" + }, + "CHEMBL204656_approved": { + "title": "ELVITEGRAVIR", + "synonyms": [ + "ELVITEGRAVIR", + "GS-9137", + "JTK-303", + "Vitekta" + ], + "smiles": "COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C", + "atc_code": "J05AJ02" + }, + "CHEMBL2105637_approved": { + "title": "DELAFLOXACIN", + "synonyms": [ + "ABT-492", + "DELAFLOXACIN", + "RX-3341", + "WQ-3034" + ], + "smiles": "Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F", + "atc_code": "J01MA23" + }, + "CHEMBL567_approved": { + "title": "PERPHENAZINE", + "synonyms": [ + "Chlorpiprazine", + "Decentan", + "ETAPERAZINE", + "FENTAZIN", + "NSC-150866", + "PERPHENAZINE", + "PERPHENAZINE FENDIZOATE", + "PERPHENAZINE MALEATE", + "Perphenazine", + "Perphenazine Fendizoate", + "TRILAFON", + "Trilafon-LA" + ], + "smiles": "OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1", + "atc_code": "N05AB03" + }, + "CHEMBL707_approved": { + "title": "DOXAZOSIN", + "synonyms": [ + "C02CA04", + "Cardura", + "DOXAZOSIN", + "Doxazosin", + "UK-33274" + ], + "smiles": "COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC", + "atc_code": "C02CA04" + }, + "CHEMBL972_approved": { + "title": "SELEGILINE", + "synonyms": [ + "EMSAM", + "Eldepryl", + "L-SELEGILINE", + "SELEGILINE", + "Zelapar" + ], + "smiles": "C#CCN(C)[C@H](C)Cc1ccccc1", + "atc_code": "N04BD01" + }, + "CHEMBL1451_approved": { + "title": "TRIAMCINOLONE", + "synonyms": [ + "ARISTOCORT", + "Aristocort A", + "DELPHICORT", + "FLUOXIPREDNISOLONE", + "KENACORT", + "Kenalog", + "NSC-13397", + "TRIAMCINOLONE", + "Triamcinolone", + "VOLON" + ], + "smiles": "C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F", + "atc_code": "H02AB08 | R03BA06 | R01AD11 | D07XB02 | S01BA05 | C05AA12 | D07AB09 | A01AC01" + }, + "CHEMBL1173655_approved": { + "title": "AFATINIB", + "synonyms": [ + "AFATINIB", + "BIBW 2992", + "BIBW-2992", + "BIBW2992", + "GILOTRIF", + "GIOTRIF", + "NSC-750691", + "TOMTOVOK", + "TOVOK" + ], + "smiles": "CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1", + "atc_code": "L01EB03" + }, + "CHEMBL1501_approved": { + "title": "FLUOCINONIDE", + "synonyms": [ + "FLUOCINOLIDE", + "FLUOCINONIDE", + "FLUOCINONIDE EMULSIFIED BASE", + "LIDEX", + "LIDEX-E", + "METOSYN", + "METOSYN FAPG", + "NSC-101791", + "VANOS" + ], + "smiles": "CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C", + "atc_code": "C05AA11 | D07AC08" + }, + "CHEMBL507870_approved": { + "title": "TELAVANCIN", + "synonyms": [ + "TELAVANCIN", + "TELEVANCIN" + ], + "smiles": "CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O", + "atc_code": "J01XA03" + }, + "CHEMBL1757_approved": { + "title": "FOSFOMYCIN", + "synonyms": [ + "CALCIUM FOSFOMYCIN", + "FOSFOCINA", + "FOSFOMYCIN", + "FOSFOMYCIN CALCIUM", + "FOSFOMYCIN CALCIUM HYDRATE", + "FOSFOMYCIN SODIUM", + "Fosfomycin", + "J01XX01", + "Monurol", + "NSC-758170", + "ZTI-01" + ], + "smiles": "C[C@@H]1O[C@@H]1P(=O)(O)O", + "atc_code": "S02AA17 | J01XX01" + }, + "CHEMBL515387_approved": { + "title": "GOSOGLIPTIN", + "synonyms": [ + "GOSOGLIPTIN", + "PF-00734200", + "PF-734,200", + "PF-734200" + ], + "smiles": "O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1", + "atc_code": null + }, + "CHEMBL1013_approved": { + "title": "LORACARBEF ANHYDROUS", + "synonyms": [ + "ANHYDROUS LORACARBEF", + "LORACARBEF, ANHYDROUS", + "LORBEF", + "LY-163892", + "Loracarbef hydrate" + ], + "smiles": "N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1", + "atc_code": null + }, + "CHEMBL976_approved": { + "title": "PRAZIQUANTEL", + "synonyms": [ + "BILTRICIDE", + "CESOL", + "CISTICID", + "CYSTICIDE", + "Cestocur", + "Droncit", + "EMBAY 8440", + "EMBAY-8440", + "NSC-757285", + "PRAZIQUANTEL", + "PRAZIQUANTELUM" + ], + "smiles": "O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1", + "atc_code": "P02BA01" + }, + "CHEMBL2219536_approved": { + "title": "MIPOMERSEN", + "synonyms": [ + "MIPOMERSEN" + ], + "smiles": "COCCO[C@@H]1[C@H](SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OCCOC)[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)[C@H](OCCOC)[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(N)nc3=O)C[C@@H]2SP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](OCCOC)[C@@H]2SP(=O)(O)OC[C@@H]2O[C@H](n3cc(C)c(N)nc3=O)[C@@H](OCCOC)[C@H]2SP(=O)(O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@@H](OCCOC)[C@H]2SP(=O)(O)OC[C@@H]2O[C@H](n3cc(C)c(N)nc3=O)[C@@H](OCCOC)[C@H]2SP(=O)(O)OC[C@@H]2O[C@H](n3cc(C)c(N)nc3=O)[C@@H](OCCOC)[C@H]2O)[C@@H](COP(=O)(O)S[C@H]2[C@@H](OCCOC)[C@H](n3cc(C)c(N)nc3=O)O[C@@H]2COP(=O)(O)S[C@H]2[C@@H](OCCOC)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2CO)O[C@H]1n1cc(C)c(N)nc1=O", + "atc_code": "C10AX11" + }, + "CHEMBL1000_approved": { + "title": "CETIRIZINE", + "synonyms": [ + "AC-170", + "CETIDERM", + "CETIRIZINE" + ], + "smiles": "O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", + "atc_code": "R06AE07 | S01GX12" + }, + "CHEMBL1508_approved": { + "title": "ESCITALOPRAM", + "synonyms": [ + "CIPRALEX", + "ESCITALOPRAM", + "ESERTIA", + "ESITOL", + "Escitalopram", + "LU-26-054" + ], + "smiles": "CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", + "atc_code": "N06AB10" + }, + "CHEMBL1749_approved": { + "title": "EDETATE DISODIUM ANHYDROUS", + "synonyms": [ + "ANHYDROUS DISODIUM EDETATE", + "Disodium edetate", + "E386", + "EDETATE DISODIUM ANHYDROUS", + "EDETATE DISODIUM, ANHYDROUS", + "EDETIC ACID, DISODIUM SALT", + "EDTA DISODIUM SALT ANHYDROUS", + "Edetate Disodium", + "Edetate disodium", + "Endrate", + "NSC-2760", + "Sodium Edetate", + "Sodium versenate" + ], + "smiles": "O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+]", + "atc_code": null + }, + "CHEMBL2216870_approved": { + "title": "IDELALISIB", + "synonyms": [ + "CAL-101", + "GS-1101", + "GS-11CAL-101", + "IDELALISIB", + "Zydelig" + ], + "smiles": "CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1", + "atc_code": "L01EM01" + }, + "CHEMBL271227_approved": { + "title": "ABIRATERONE ACETATE", + "synonyms": [ + "ABIRATERONE ACETATE", + "Abiraterone Krka", + "CB-7630", + "CB7630", + "NSC-748121", + "NSC-749227", + "YONSA", + "Zytiga" + ], + "smiles": "CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1", + "atc_code": null + }, + "CHEMBL459265_approved": { + "title": "HEXAMETHYL PARAROSANILINE", + "synonyms": null, + "smiles": "CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1", + "atc_code": null + }, + "CHEMBL1445_approved": { + "title": "FLUOXYMESTERONE", + "synonyms": [ + "ANDROID-F", + "Androxy", + "FLUOXIMESTERONE", + "FLUOXYMESTERONE", + "FLUOXYMESTERONE CIII", + "Fluoxymesterone", + "HALOTESTIN", + "NSC-10704", + "NSC-12165", + "ORA-TESTRYL" + ], + "smiles": "C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "G03BA01" + }, + "CHEMBL1083659_approved": { + "title": "SUVOREXANT", + "synonyms": [ + "BELSOMRA", + "MK-4305", + "MK4305", + "SUVOREXANT" + ], + "smiles": "Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1", + "atc_code": "N05CM19" + }, + "CHEMBL383675_approved": { + "title": "TEMOPORFIN", + "synonyms": [ + "EF-9", + "EF9", + "Foscan", + "MTHPC", + "TEMOPORFIN" + ], + "smiles": "Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1", + "atc_code": "L01XD05" + }, + "CHEMBL1197091_approved": { + "title": "HALOFUGINONE", + "synonyms": [ + "HALOCUR", + "HALOFUGINON", + "HALOFUGINONE", + "HT-100" + ], + "smiles": "O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O", + "atc_code": null + }, + "CHEMBL945_approved": { + "title": "AMILORIDE", + "synonyms": [ + "AMICLARAN", + "AMILORIDE", + "Amiloride", + "Hydro-Ride", + "Midamor" + ], + "smiles": "N=C(N)NC(=O)c1nc(Cl)c(N)nc1N", + "atc_code": "C03DB01" + }, + "CHEMBL1182833_approved": { + "title": "MIVACURIUM", + "synonyms": [ + "BW B109OU", + "BW-B109OU", + "MIVACURIUM", + "MIVACURIUM CATION", + "MIVACURIUM ION" + ], + "smiles": "COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2", + "atc_code": null + }, + "CHEMBL1425_approved": { + "title": "MERCAPTOPURINE ANHYDROUS", + "synonyms": [ + "Mercaptopurine anhydrous" + ], + "smiles": "Sc1ncnc2nc[nH]c12", + "atc_code": null + }, + "CHEMBL225071_approved": { + "title": "RALTITREXED", + "synonyms": [ + "RALTITREXED", + "TOMUDEX", + "ZD-16", + "ZD-1694", + "ZD1694" + ], + "smiles": "Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1", + "atc_code": "L01BA03" + }, + "CHEMBL1413_approved": { + "title": "CICLOPIROX", + "synonyms": [ + "CICLOPIROX", + "CYCLOPIROX", + "HOE 296B", + "HOE-296B", + "LOPROX", + "PENLAC" + ], + "smiles": "Cc1cc(C2CCCCC2)n(O)c(=O)c1", + "atc_code": "D01AE14 | G01AX12" + }, + "CHEMBL416146_approved": { + "title": "ETORICOXIB", + "synonyms": [ + "ARCOXIA", + "ETORICOXIB", + "L-791456", + "MK-0663" + ], + "smiles": "Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1", + "atc_code": "M01AH05" + }, + "CHEMBL1601_approved": { + "title": "CEFONICID", + "synonyms": [ + "CEFONICID", + "Cefonicid", + "MONOCEF" + ], + "smiles": "O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12", + "atc_code": "J01DC06" + }, + "CHEMBL1631694_approved": { + "title": "FEXINIDAZOLE", + "synonyms": [ + "FEXINIDAZOLE", + "HOE 239", + "HOE-239" + ], + "smiles": "CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1", + "atc_code": "P01CA03" + }, + "CHEMBL163_approved": { + "title": "RITONAVIR", + "synonyms": [ + "A-84538", + "ABBOTT-84538", + "ABT-538", + "EMPETUS", + "NSC-693184", + "Norvir", + "RITOMUNE", + "RITONAVIR", + "RITONAVIR RELATED COMPOUNDS MIXTURE", + "RITONAVIRUM", + "RITOVIR", + "VIEKIRAX", + "VIRITON" + ], + "smiles": "CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1", + "atc_code": "J05AE03" + }, + "CHEMBL1796997_approved": { + "title": "HELIUM", + "synonyms": [ + "E-939", + "E939", + "HELIUM", + "HELIUM-4", + "INS NO.939", + "INS-939" + ], + "smiles": "[He]", + "atc_code": "V03AN03" + }, + "CHEMBL1201191_approved": { + "title": "LEVOCETIRIZINE", + "synonyms": [ + "(-)-CETIRIZINE", + "(R)-CETIRIZINE", + "CETIRIZINE (R)-FORM", + "CETIRIZINE, (-)-", + "CETIRIZINE, (R)-", + "LEVOCETIRIZINE", + "XAZAL", + "XYZAL" + ], + "smiles": "O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1", + "atc_code": "R06AE09" + }, + "CHEMBL408513_approved": { + "title": "BELINOSTAT", + "synonyms": [ + "BELEODAQ", + "BELINOSTAT", + "NSC-726630", + "NSC726630", + "PX-105684", + "PXD-101", + "PXD101" + ], + "smiles": "O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO", + "atc_code": "L01XH04" + }, + "CHEMBL40_approved": { + "title": "PHENOBARBITAL", + "synonyms": [ + "LUMINAL", + "NSC-128143", + "NSC-128143-", + "NSC-9848", + "Noptil", + "PHENEMAL", + "PHENOBARBITAL", + "PHENOBARBITAL CIV", + "PHENYLETHYLMALONYLUREA", + "Phenobarbital", + "Phenobarbitone", + "Solfoton" + ], + "smiles": "CCC1(c2ccccc2)C(=O)NC(=O)NC1=O", + "atc_code": "N03AA02" + }, + "CHEMBL406_approved": { + "title": "INDAPAMIDE", + "synonyms": [ + "ARIFON", + "BAJATEN", + "CARDIDE SR", + "DAMIDE", + "ETHIBIDE XL", + "FLUBEST", + "FLUDEX", + "FLUDIN", + "FLUPAMID", + "INDAFLEX", + "INDAMIDE", + "INDAMOL", + "INDAPAMIDE", + "INDAXA 2.5", + "INDIPAM XL", + "IPAMIX", + "KYD-041", + "LORVAS", + "LOZOL", + "MAPEMID XL", + "NATRILIX", + "NATRILIX SR", + "NATRIX", + "NINDAXA 2.5", + "NORANAT", + "NSC-757075", + "OPUMIDE 2.5", + "RAWEL XL", + "S-1520", + "SE-1520", + "TANDIX", + "TENSAID XL", + "TERTENSIF", + "VARBIM XL", + "VEROXIL" + ], + "smiles": "CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1", + "atc_code": "C03BA11" + }, + "CHEMBL4596392_approved": { + "title": "CRAVACITINIB", + "synonyms": null, + "smiles": "CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC", + "atc_code": "L04AA56" + }, + "CHEMBL2_approved": { + "title": "PRAZOSIN", + "synonyms": [ + "CP-12299", + "CP-122991", + "PRAZOSIN", + "Prazosin" + ], + "smiles": "COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC", + "atc_code": "C02CA01" + }, + "CHEMBL160_approved": { + "title": "CYCLOSPORINE", + "synonyms": [ + "27-400", + "ANTIBIOTIC S-7481F1", + "ATOPICA", + "CAPIMUNE", + "CAPSORIN", + "CEQUA", + "CICLOSPORIN", + "CICLOSPORIN A", + "CICLOSPORINUM", + "CYCLOSPORIN", + "CYCLOSPORIN A", + "CYCLOSPORINE", + "CYCLOSPORINE A", + "CYCLOSPORINE MICROEMULSION", + "CYCLOSPORINE, MODIFIED", + "DEXIMUNE", + "EQUORAL", + "GENGRAF", + "Ikervis", + "MITOGARD", + "NEOPLANTA", + "NEORAL", + "NEUROSTAT", + "NSC-290193", + "OL-27-400", + "OPTIMMUNE", + "RAMIHYPHIN A", + "RESTASIS", + "RESTASIS MULTIDOSE", + "SANDIMMUN", + "SANDIMMUNE", + "SANG-35", + "SANGCYA", + "SDZ-OXL-400", + "VANQUORAL", + "VERKAZIA", + "VEVYE", + "ZINOGRAF ME" + ], + "smiles": "C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", + "atc_code": "S01XA18 | L04AD01" + }, + "CHEMBL715_approved": { + "title": "OLANZAPINE", + "synonyms": [ + "ARKOLAMYL", + "LY-170053", + "LY170053", + "OLANSEK", + "OLANZAPINE", + "OLANZAPINE APOTEX", + "OLANZAPINE CIPLA", + "OLANZAPINE GLENMARK", + "OLANZAPINE MYLAN", + "OLANZAPINE TEVA", + "OLAZAX", + "OLAZAX DISPERZI", + "Olanzapine Mylan", + "ZALASTA", + "ZYPREXA", + "ZYPREXA VELOTAB", + "ZYPREXA ZYDIS" + ], + "smiles": "Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1", + "atc_code": "N05AH03" + }, + "CHEMBL1535_approved": { + "title": "HYDROXYCHLOROQUINE", + "synonyms": [ + "HYDROXYCHLOROQUINE", + "Hydroxychloroquine", + "POLIRREUMIN" + ], + "smiles": "CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12", + "atc_code": "P01BA02" + }, + "CHEMBL777_approved": { + "title": "CLAVULANIC ACID", + "synonyms": [ + "BRL 14151", + "BRL-14151", + "CLAVULANATE", + "CLAVULANIC ACID", + "Clavulanate", + "Clavulanic Acid", + "RX-10100", + "SERDAXIN" + ], + "smiles": "O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21", + "atc_code": null + }, + "CHEMBL49_approved": { + "title": "BUSPIRONE", + "synonyms": [ + "BCI-024", + "BUSPIRONE", + "Buspar", + "Buspirone", + "GEN-BUSPIRONE" + ], + "smiles": "O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1", + "atc_code": "N05BE01" + }, + "CHEMBL1079_approved": { + "title": "TIZANIDINE", + "synonyms": [ + "TIZANIDINE", + "Tizanidine", + "Zanaflex" + ], + "smiles": "Clc1ccc2nsnc2c1NC1=NCCN1", + "atc_code": "M03BX02" + }, + "CHEMBL2364639_approved": { + "title": "VALBENAZINE", + "synonyms": [ + "MT-5199", + "NBI-98854", + "VALBENAZINE" + ], + "smiles": "COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2", + "atc_code": "N07XX13" + }, + "CHEMBL1540_approved": { + "title": "PENCICLOVIR", + "synonyms": [ + "BRL-39123", + "DENAVIR", + "FENISTIL", + "NSC-759624", + "PENCICLOVIR", + "Penciclovir", + "VECTAVIR" + ], + "smiles": "Nc1nc(O)c2ncn(CCC(CO)CO)c2n1", + "atc_code": "J05AB13 | D06BB06" + }, + "CHEMBL846_approved": { + "title": "CALCITRIOL", + "synonyms": [ + "1,25-DIHYDROXY VITAMIN D3", + "1,25-DIHYDROXYVITAMIN D3", + "1,25-HYDROXYLATED VITAMIN D", + "1ALPHA,25-DIHYDROXYCHOLECALCIFEROL", + "1ALPHA,25-DIHYDROXYVITAMIN D3", + "CALCIJEX", + "CALCITRIOL", + "Dihydroxycholecalciferol", + "Dihydroxyvitamin D 3", + "RO 21-5535", + "RO-21-5535", + "RO-215535", + "ROCALTROL", + "SILKIS", + "Topitriol", + "VECTICAL" + ], + "smiles": "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O", + "atc_code": "A11CC04 | D05AX03" + }, + "CHEMBL1201016_approved": { + "title": "CEFPODOXIME PROXETIL", + "synonyms": [ + "BANAN", + "CEFPODOXIME PROXETIL", + "CS-807", + "NSC-759161", + "U-76252", + "VANTIN" + ], + "smiles": "COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\\OC)c3csc(N)n3)[C@H]2SC1", + "atc_code": null + }, + "CHEMBL1572_approved": { + "title": "NETILMICIN", + "synonyms": [ + "NETILMICIN", + "NETIRA", + "NSC-759586", + "Netilmicin" + ], + "smiles": "CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O", + "atc_code": "J01GB07 | S01AA23" + }, + "CHEMBL1450_approved": { + "title": "ATOVAQUONE", + "synonyms": [ + "566C", + "566C80", + "ATOVAQUONE", + "MEPRON", + "Mepron", + "NSC-759582", + "WELLVONE" + ], + "smiles": "O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21", + "atc_code": "P01AX06" + }, + "CHEMBL711_approved": { + "title": "PHENINDIONE", + "synonyms": [ + "DANILONE", + "DINDEVAN", + "HEDULIN", + "NSC-41693", + "PHENINDIONE", + "PHENYLINDANEDIONE", + "Phenindione" + ], + "smiles": "O=C1c2ccccc2C(=O)C1c1ccccc1", + "atc_code": "B01AA02" + }, + "CHEMBL1434_approved": { + "title": "MINOCYCLINE", + "synonyms": [ + "MINOCYCLINE", + "Minocycline" + ], + "smiles": "CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", + "atc_code": "A01AB23 | D10AF07 | J01AA08" + }, + "CHEMBL648_approved": { + "title": "CYCLIZINE", + "synonyms": [ + "CYCLIZINE", + "Cyclizine", + "Marezine", + "NSC-26608" + ], + "smiles": "CN1CCN(C(c2ccccc2)c2ccccc2)CC1", + "atc_code": "R06AE53 | R06AE03" + }, + "CHEMBL2325741_approved": { + "title": "CAPIVASERTIB", + "synonyms": [ + "AZC5363", + "AZD 5363", + "AZD-5363", + "AZD5363", + "CAPIVASERTIB", + "Truqap" + ], + "smiles": "NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2nc[nH]c3nccc2-3)CC1", + "atc_code": null + }, + "CHEMBL243712_approved": { + "title": "AMISULPRIDE", + "synonyms": [ + "AMINOSULTOPRIDE", + "AMISULPRIDE", + "APD-421", + "APD421", + "BARHEMSYS", + "DAN-2163", + "DENIBAN", + "NSC-760085", + "SOCIAN", + "SOLIAN", + "SOLIAN 100", + "SOLIAN 200", + "SOLIAN 400", + "SOLIAN 50", + "SULAMID" + ], + "smiles": "CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC", + "atc_code": "N05AL05" + }, + "CHEMBL4594248_approved": { + "title": "CALCITONIN HUMAN", + "synonyms": [ + "CALCITONIN (HUMAN SYNTHETIC)", + "CIBACALCIN" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C", + "atc_code": "H05BA03" + }, + "CHEMBL634_approved": { + "title": "ALFENTANIL", + "synonyms": [ + "AFENTANYL", + "ALFENTANIL", + "ALFENTANYL", + "Alfentanil", + "IDS-NA-014", + "R-39209", + "R-39209-" + ], + "smiles": "CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1", + "atc_code": "N01AH02" + }, + "CHEMBL1236802_approved": { + "title": "XENON", + "synonyms": [ + "XENON", + "Xenon" + ], + "smiles": "[Xe]", + "atc_code": "N01AX15" + }, + "CHEMBL1110_approved": { + "title": "ALOSETRON", + "synonyms": [ + "A03AE01", + "ALOSETRON", + "Alosetron", + "Lotronex" + ], + "smiles": "Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O", + "atc_code": "A03AE01" + }, + "CHEMBL1621_approved": { + "title": "PALIPERIDONE", + "synonyms": [ + "9-HYDROXYRISPERIDONE", + "INVEGA", + "NSC-759623", + "PALIPERIDONE", + "R-76477", + "RISPERIDONE IMPURITY, 9-HYDROXYRISPERIDONE-", + "RO-76477", + "RO76477", + "TREVICTA", + "XEPLION" + ], + "smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O", + "atc_code": "N05AX13" + }, + "CHEMBL4085457_approved": { + "title": "RITLECITINIB", + "synonyms": [ + "PF-06651600", + "RITLECITINIB" + ], + "smiles": "C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C", + "atc_code": null + }, + "CHEMBL1229_approved": { + "title": "OSELTAMIVIR", + "synonyms": [ + "GS 4104", + "GS-4071 ETHYL ESTER", + "GS-4104", + "GS4104", + "OSELTAMIVIR", + "Oseltamivir Carboxylate", + "RO 640796", + "RO-64-0796", + "RO-640796", + "RO64-0796" + ], + "smiles": "CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1", + "atc_code": "J05AH02" + }, + "CHEMBL3989944_approved": { + "title": "DIROXIMEL FUMARATE", + "synonyms": [ + "ALKS 8700", + "ALKS-8700", + "ALKS8700", + "BIIB-098", + "BIIB098", + "DIROXIMEL FUMARATE", + "RDC-5108", + "RDC5108", + "Vumerity" + ], + "smiles": "COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O", + "atc_code": "L04AX09" + }, + "CHEMBL682_approved": { + "title": "AMODIAQUINE", + "synonyms": [ + "AMODIAQUIN", + "AMODIAQUINE", + "AMODIAQUINUM", + "Amodiaquine", + "GNF-Pf-5648", + "NSC-13453", + "SJ000110703", + "SUNOQUINE" + ], + "smiles": "CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O", + "atc_code": "P01BA06" + }, + "CHEMBL1118_approved": { + "title": "DESVENLAFAXINE", + "synonyms": [ + "D-VENIZ", + "DESVENLAFAXINE", + "KHEDEZLA", + "MDD-XR", + "NEWVEN", + "O-DESMETHYLVENLAFAXINE", + "ODV", + "Pristiq" + ], + "smiles": "CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1", + "atc_code": "N06AX23" + }, + "CHEMBL770_approved": { + "title": "TOLAZOLINE", + "synonyms": [ + "NSC-35110", + "Priscoline", + "TOLAZINE", + "TOLAZOLINE", + "Tolazoline" + ], + "smiles": "c1ccc(CC2=NCCN2)cc1", + "atc_code": "M02AX02 | C04AB02" + }, + "CHEMBL3545313_approved": { + "title": "BEMPEDOIC ACID", + "synonyms": [ + "BEMPEDOIC ACID", + "ESP-55016", + "ETC-1002", + "ETC1002", + "NEXLETOL", + "Nilemdo" + ], + "smiles": "CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O", + "atc_code": "C10AX15" + }, + "CHEMBL231813_approved": { + "title": "TELAPREVIR", + "synonyms": [ + "INCIVEK", + "Incivo", + "LY 570310", + "LY-570310", + "MP 424", + "MP-424", + "TELAPREVIR", + "VRT 111950", + "VRT-111950", + "VX 950", + "VX-950" + ], + "smiles": "CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1", + "atc_code": "J05AP02" + }, + "CHEMBL1200736_approved": { + "title": "MAGNESIUM CARBONATE", + "synonyms": [ + "ANDREWS", + "ANHYDROUS MAGNESIUM CARBONATE", + "C.I. 77713", + "E-504(I)", + "E504", + "INS NO.504(I)", + "INS-504(I)", + "LIGHT MAGNESIUM CARBONATE", + "MAG CARB", + "MAG CARB AROM", + "MAG CARB CO", + "MAGNESIA CARBONICA", + "MAGNESITE", + "MAGNESITE (MG(CO3))", + "MAGNESIUM (AS CARBONATE)", + "MAGNESIUM CARBONATE", + "MAGNESIUM CARBONATE (1:1) HYDRATE", + "MAGNESIUM CARBONATE ANHYDROUS", + "MAGNESIUM CARBONATE GOLD STAR", + "MAGNESIUM CARBONATE LIGHT", + "MAGNESIUM CARBONATE, HEAVY", + "MAGNESIUM CARBONATE, LIGHT", + "NSC-83511" + ], + "smiles": "O=C([O-])[O-].[Mg+2]", + "atc_code": "A06AD01 | A02AA01" + }, + "CHEMBL61_approved": { + "title": "PODOFILOX", + "synonyms": [ + "CONDYLINE", + "CONDYLOX", + "NSC-24818", + "PODOFILOX", + "PODOPHYLLOTOXIN", + "Podophyllotoxin", + "WARTICON" + ], + "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC", + "atc_code": "D06BB04" + }, + "CHEMBL1200979_approved": { + "title": "DEXPANTHENOL", + "synonyms": [ + "(+)-PANTHENOL", + "D-PANTHENOL", + "D-PANTOTHENYL ALCOHOL", + "DEXPANTHENOL", + "PANTOTHENOL" + ], + "smiles": "CC(C)(CO)[C@@H](O)C(=O)NCCCO", + "atc_code": "D03AX03 | A11HA30 | S01XA12" + }, + "CHEMBL918_approved": { + "title": "PHENACEMIDE", + "synonyms": [ + "NSC-39458", + "PHENACEMIDE", + "PHENURONE", + "Phenacemide" + ], + "smiles": "NC(=O)NC(=O)Cc1ccccc1", + "atc_code": "N03AX07" + }, + "CHEMBL406393_approved": { + "title": "DEOXYCHOLIC ACID", + "synonyms": [ + "ATX-101", + "ATX-101 (DEOXYCHOLIC ACID)", + "DEOXYCHOLIC ACID", + "DESOXYCHOLIC ACID", + "DWJ-211", + "DWJ211", + "Deoxycholate", + "KYBELLA", + "NSC-8797" + ], + "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C", + "atc_code": "D11AX24" + }, + "CHEMBL1908917_approved": { + "title": "FLUCICLOVINE", + "synonyms": null, + "smiles": "N[C@]1(C(=O)O)C[C@@H](F)C1", + "atc_code": null + }, + "CHEMBL546_approved": { + "title": "OXPRENOLOL", + "synonyms": [ + "OXPRENOLOL", + "Oxprenolol" + ], + "smiles": "C=CCOc1ccccc1OCC(O)CNC(C)C", + "atc_code": "C07AA02" + }, + "CHEMBL1256391_approved": { + "title": "PIRFENIDONE", + "synonyms": [ + "AMR-69", + "ESBRIET", + "NSC-748456", + "PIRESPA", + "PIRFENIDONE", + "Pirfenidone Viatris" + ], + "smiles": "Cc1ccc(=O)n(-c2ccccc2)c1", + "atc_code": "L04AX05" + }, + "CHEMBL2009089_approved": { + "title": "SELENIOUS ACID", + "synonyms": [ + "MONOHYDRATED SELENIUM DIOXIDE", + "SELENIOUS ACID", + "SELENIUM (AS SELENIOUS ACID)", + "SELENIUM DIOXIDE, MONOHYDRATED", + "UN 3283", + "UN-3283" + ], + "smiles": "O=[Se](O)O", + "atc_code": null + }, + "CHEMBL2063090_approved": { + "title": "GRAZOPREVIR ANHYDROUS", + "synonyms": [ + "GRAZOPREVIR", + "GRAZOPREVIR ANHYDROUS", + "MK-5172", + "MK-5172 ANHYDROUS" + ], + "smiles": "C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1", + "atc_code": "J05AP11" + }, + "CHEMBL3291398_approved": { + "title": "LEFAMULIN", + "synonyms": [ + "BC-3781", + "LEFAMULIN" + ], + "smiles": "C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O", + "atc_code": "J01XX12" + }, + "CHEMBL526_approved": { + "title": "PROPOFOL", + "synonyms": [ + "DIPRIVAN", + "DISOPROFOL", + "Disoprivan", + "FRESOFOL", + "ICI 35,868", + "ICI 35-868", + "ICI-35868", + "ICI35,868", + "LIPURO", + "NSC-5105", + "PHENOL, 2,6-BIS(1-METHYLETHYL)", + "PROPOFOL", + "Rapinovet" + ], + "smiles": "CC(C)c1cccc(C(C)C)c1O", + "atc_code": "N01AX10" + }, + "CHEMBL296419_approved": { + "title": "ASTEMIZOLE", + "synonyms": [ + "ASTEMIZOLE", + "GNF-Pf-2461", + "HISMANAL", + "NSC-329963", + "NSC-759570", + "POLLON-EZE", + "R 43,512" + ], + "smiles": "COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1", + "atc_code": "R06AX11" + }, + "CHEMBL1790041_approved": { + "title": "RANITIDINE", + "synonyms": [ + "NSC-757851", + "RANITIDINE", + "Ranitidine", + "Tritec", + "Zantac" + ], + "smiles": "CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1", + "atc_code": "A02BA02" + }, + "CHEMBL1401_approved": { + "title": "NITAZOXANIDE", + "synonyms": [ + "ALINIA", + "NITAZOXANIDE", + "NSC-697855", + "NSC-760057", + "PH 5776", + "PH-5776" + ], + "smiles": "CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1", + "atc_code": "P01AX11" + }, + "CHEMBL713_approved": { + "title": "ENTECAVIR ANHYDROUS", + "synonyms": [ + "Baraclude" + ], + "smiles": "C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21", + "atc_code": null + }, + "CHEMBL1095930_approved": { + "title": "CEFUROXIME AXETIL", + "synonyms": [ + "CCI 15641", + "CCI-15641", + "CEFTIN", + "CEFURAX", + "CEFUROXIME (AS AXETIL)", + "CEFUROXIME 1-ACETOXYETHYL ESTER", + "CEFUROXIME AXETIL", + "CEPAZINE", + "CETOXIL", + "CUROCEF", + "ELOBACT", + "NOVADOR", + "NOVOCEF", + "NSC-758677", + "ORAXIM", + "ZINAT", + "ZINNAT" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1", + "atc_code": null + }, + "CHEMBL1002_approved": { + "title": "LEVOSALBUTAMOL", + "synonyms": [ + "ALBUTEROL (R)-FORM", + "ASF-1096", + "LEVALBUTEROL", + "LEVOSALBUTAMOL", + "Levalbuterol", + "Levosalbutamol", + "R-SALBUTAMOL", + "Xopenex" + ], + "smiles": "CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1", + "atc_code": null + }, + "CHEMBL1566_approved": { + "title": "ACARBOSE", + "synonyms": [ + "ACARBOSE", + "BAY G 5421", + "BAY-G-5421", + "GLUCOBAY", + "NSC-758915", + "PRECOSE" + ], + "smiles": "C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O", + "atc_code": "A10BF01" + }, + "CHEMBL1219_approved": { + "title": "RABEPRAZOLE", + "synonyms": [ + "Aciphex", + "E-3810 (PPI)", + "E3810", + "ERALOC", + "LY-307640", + "LY307640", + "PARIPRAZOLE", + "RABEPRAZOLE", + "Rabeprazole" + ], + "smiles": "COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C", + "atc_code": "A02BC04 | A02BC54" + }, + "CHEMBL1370_approved": { + "title": "BUDESONIDE", + "synonyms": [ + "AIRCORT", + "BUDEFLAM AQUANASE", + "BUDELIN NOVOLIZER", + "BUDENOFALK", + "BUDESONIDE", + "CORTIMENT", + "DUORESP SPIROMAX", + "ENTOCORT", + "ENTOCORT CR", + "ENTOCORT EC", + "Jorveza", + "MAP-0010", + "MAP0010", + "NSC-757788", + "ORTIKOS", + "PREFERID", + "PULMAXAN", + "PULMICORT", + "PULMICORT FLEXHALER", + "PULMICORT L.S.", + "PULMICORT RESPULES", + "R01AD05", + "RHINOCORT", + "RHINOCORT ALLERGY", + "RHINOCORT AQUA", + "RHINOCORT AQUA 64", + "S-1320", + "SYMBICORT", + "TARPEYO", + "UCERIS" + ], + "smiles": "CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", + "atc_code": "A07EA06 | R03BA02 | D07AC09 | R01AD05" + }, + "CHEMBL125_approved": { + "title": "MILTEFOSINE", + "synonyms": [ + "D-18506", + "HDPC", + "IMPAVIDO", + "MILTEFOSINE", + "Miltefosine", + "Miltex", + "NSC-605583", + "NSC-758968" + ], + "smiles": "CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C", + "atc_code": "P01CX04" + }, + "CHEMBL1963683_approved": { + "title": "TAFLUPROST", + "synonyms": [ + "AFP-168", + "MK-2452", + "SAFLUTAN", + "TAFLUPROST", + "ZIOPTAN" + ], + "smiles": "CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O", + "atc_code": "S01EE05" + }, + "CHEMBL1237044_approved": { + "title": "TRAMADOL", + "synonyms": [ + "AMANDA", + "CG-315E", + "E-265", + "ETS-6103", + "ETS6103", + "TRAMADOL", + "Tramadol", + "U-26255A", + "Ultracet", + "Ultram" + ], + "smiles": "COc1cccc(C2(O)CCCCC2CN(C)C)c1", + "atc_code": "N02AX02" + }, + "CHEMBL2104987_approved": { + "title": "TEDUGLUTIDE", + "synonyms": [ + "ALX 0600", + "ALX-0600", + "GATTEX", + "GATTEX KIT", + "REVESTIVE", + "Revestive", + "TEDUGLUTIDE", + "TEDUGLUTIDE (RDNA ORIGIN)" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC", + "atc_code": "A16AX08" + }, + "CHEMBL3545123_approved": { + "title": "PIBRENTASVIR", + "synonyms": [ + "A-1325912.0", + "ABT-530", + "PIBRENTASVIR" + ], + "smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)c(F)cc2[nH]1)[C@@H](C)OC", + "atc_code": null + }, + "CHEMBL4299851_approved": { + "title": "PIFLUFOLASTAT", + "synonyms": [ + "DCFPYL", + "PIFLUFOLASTAT" + ], + "smiles": "O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O", + "atc_code": null + }, + "CHEMBL1747_approved": { + "title": "TOBRAMYCIN", + "synonyms": [ + "47663", + "AKTOB", + "BETHKIS", + "BRAMITOB", + "KITABIS PAK", + "NEBCIN", + "NEBRAMYCIN FACTOR 6", + "NEBRAMYCIN VI", + "NEBRIS", + "NSC-180514", + "Nebcin", + "Nebicin", + "Nebramycin", + "Obramycin", + "TOBI", + "TOBRALEX", + "TOBRAMYCIN", + "TOBRAVISC", + "TOBREX", + "TYMBRINEB", + "Tobi Podhaler", + "Tobradex", + "Tobradex ST", + "VANTOBRA" + ], + "smiles": "NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O", + "atc_code": "J01GB01 | S01AA12" + }, + "CHEMBL438_approved": { + "title": "SULFAMERAZINE", + "synonyms": [ + "Mesulfa", + "Methypyrimal", + "NSC-27259", + "SULFAMERAZINE", + "SULPHAMERAZINE", + "Sulfamerazine", + "Sulfamethyldiazine", + "Sumedin" + ], + "smiles": "Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1", + "atc_code": "D06BA06 | J01ED07" + }, + "CHEMBL1630575_approved": { + "title": "CASPOFUNGIN", + "synonyms": [ + "CASPOFUNGIN", + "L-743,872", + "L-743872" + ], + "smiles": "CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O", + "atc_code": "J02AX04" + }, + "CHEMBL1139_approved": { + "title": "EPOPROSTENOL", + "synonyms": [ + "ACT-385781A", + "EPOPROSTENOL", + "Epoprostenol", + "Flolan", + "PG-I2", + "PGI2", + "PGX", + "PROSTACYCLIN", + "PROSTAGLANDIN I2", + "PROSTAGLANDIN X", + "U-53,217", + "U-53217" + ], + "smiles": "CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)O[C@H]2C[C@H]1O", + "atc_code": "B01AC09" + }, + "CHEMBL1201196_approved": { + "title": "SERTACONAZOLE", + "synonyms": [ + "Demofix", + "Ertaczo", + "FI-7045", + "SERTACONAZOLE" + ], + "smiles": "Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1", + "atc_code": "D01AC14 | G01AF19" + }, + "CHEMBL2104993_approved": { + "title": "VORTIOXETINE", + "synonyms": [ + "BRINTELLIX", + "LU AA21004", + "LU-AA21004", + "LUAA21004", + "VORTIOXETINE" + ], + "smiles": "Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1", + "atc_code": "N06AX26" + }, + "CHEMBL611_approved": { + "title": "TERAZOSIN", + "synonyms": [ + "Hytrin", + "TERAZOSABB", + "TERAZOSIN", + "Terazosin" + ], + "smiles": "COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC", + "atc_code": "G04CA03" + }, + "CHEMBL1908370_approved": { + "title": "FINAFLOXACIN", + "synonyms": [ + "AL-60371", + "FINAFLOXACIN", + "XTORO" + ], + "smiles": "N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", + "atc_code": null + }, + "CHEMBL98_approved": { + "title": "VORINOSTAT", + "synonyms": [ + "MK-0683", + "MK0683", + "NSC-701852", + "NSC-748799", + "NSC-759852", + "SUBEROYLANILIDE HYDROXAMIC ACID", + "VORINOSTAT", + "ZOLINZA" + ], + "smiles": "O=C(CCCCCCC(=O)Nc1ccccc1)NO", + "atc_code": "L01XH01" + }, + "CHEMBL2403108_approved": { + "title": "CERITINIB", + "synonyms": [ + "CERITINIB", + "CERITINIB[MI]", + "LDK-378", + "LDK378", + "NVP-LDK-378-NX", + "NVP-LDK378-NX", + "Zykadia" + ], + "smiles": "Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1", + "atc_code": "L01ED02" + }, + "CHEMBL5314379_approved": { + "title": "VOCLOSPORIN", + "synonyms": [ + "ISA-247", + "ISA247", + "ISATX-247", + "ISATX247", + "LX-211", + "LX211", + "Lupkynis", + "VOCLOSPORIN" + ], + "smiles": "C=C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C", + "atc_code": "L04AD03" + }, + "CHEMBL2043437_approved": { + "title": "GLASDEGIB", + "synonyms": [ + "GLASDEGIB", + "Glasdegib", + "PF-04449913", + "PF-4449913" + ], + "smiles": "CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1", + "atc_code": "L01XJ03" + }, + "CHEMBL74632_approved": { + "title": "MOXALACTAM", + "synonyms": [ + "LATAMOXEF", + "Moxalactam", + "Moxam" + ], + "smiles": "CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21", + "atc_code": "J01DD06" + }, + "CHEMBL991_approved": { + "title": "STAVUDINE", + "synonyms": [ + "BMY-27857", + "D-4T", + "D4T", + "NSC-163661", + "NSC-759897", + "SANILVUDINE", + "STAVUDINE", + "STAVUDINE (D4T)", + "STAVUDINE (DT4)", + "STAVUDINUM", + "ZERIT XR", + "Zerit", + "d4T" + ], + "smiles": "Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O", + "atc_code": "J05AF04" + }, + "CHEMBL673_approved": { + "title": "PARGYLINE", + "synonyms": [ + "Eutonyl", + "Eutron", + "PARGYLINE", + "Pargyline" + ], + "smiles": "C#CCN(C)Cc1ccccc1", + "atc_code": "C02KC01" + }, + "CHEMBL1951095_approved": { + "title": "ERAVACYCLINE", + "synonyms": [ + "ERAVACYCLINE", + "TP-434", + "Xerava" + ], + "smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12", + "atc_code": "J01AA13" + }, + "CHEMBL1368_approved": { + "title": "SODIUM PHOSPHATE, MONOBASIC", + "synonyms": [ + "E-339(I)", + "E339", + "INS NO.339(I)", + "INS-339(I)", + "Ionosol B", + "Ionosol MB", + "Ionosol T", + "MONOBASIC SODIUM PHOSPHATE", + "MONOSODIUM PHOSPHATE", + "MONOSODIUM PHOSPHATE, ANHYDROUS", + "SODIUM ACID PHOSPHATE", + "SODIUM BIPHOSPHATE", + "SODIUM BIPHOSPHATE, ANHYDROUS", + "SODIUM DIHYDROGEN PHOSPHATE", + "SODIUM ORTHOPHOSPHATE MONOBASIC", + "SODIUM PHOSPHATE MONOBASIC", + "SODIUM PHOSPHATE MONOBASIC (ANHYDROUS)", + "SODIUM PHOSPHATE, MONOBASIC", + "SODIUM PHOSPHATE,MONOBASIC", + "SODIUM PRIMARY PHOSPHATE", + "Sodium Phosphate, Monobasic", + "Sodium phosphate, monobasic, anhydrous" + ], + "smiles": "O=P([O-])(O)O.[Na+]", + "atc_code": null + }, + "CHEMBL833_approved": { + "title": "TICLOPIDINE", + "synonyms": [ + "TICLOPIDIN-PUREN", + "TICLOPIDINE", + "Ticlopidine" + ], + "smiles": "Clc1ccccc1CN1CCc2sccc2C1", + "atc_code": "B01AC05" + }, + "CHEMBL485253_approved": { + "title": "METHYSERGIDE", + "synonyms": [ + "DESERIL", + "METHYSERGIDE" + ], + "smiles": "CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1", + "atc_code": "N02CA04" + }, + "CHEMBL1200660_approved": { + "title": "ISOSORBIDE", + "synonyms": [ + "1,4:3,6-DIANHYDRO-D-GLUCITOL", + "AT-101", + "D-GLUCITOL, 1,4:3,6-DIANHYDRO-", + "ISMOTIC", + "ISOBIDE", + "ISOSORBIDE", + "NSC-40725" + ], + "smiles": "O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O", + "atc_code": null + }, + "CHEMBL471_approved": { + "title": "SOTALOL", + "synonyms": [ + "Betapace", + "C07AA07", + "DAROB MITE", + "DL-SOTALOL", + "MJ-1999", + "SOTALOL", + "Sorine", + "Sotalol" + ], + "smiles": "CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1", + "atc_code": "C07AA07" + }, + "CHEMBL1510_approved": { + "title": "ELETRIPTAN", + "synonyms": [ + "ELETRIPTAN", + "Eletriptan", + "RELPAX", + "UK-116,044", + "UK-116,044-04 FREE BASE", + "UK-116,044-04 [AS HYDROBROMIDE)", + "UK-116044", + "UK-116044-04", + "UK-116044-04 FREE BASE" + ], + "smiles": "CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12", + "atc_code": "N02CC06" + }, + "CHEMBL1172_approved": { + "title": "DESLORATADINE", + "synonyms": [ + "AERIUS", + "ALLEX", + "AZOMYR", + "CLARINEX", + "DASSELTA", + "DENOSIN", + "DESCARBOETHOXYLORATADINE", + "DESLORATADINE", + "DESLORATADINE ACTAVIS", + "DESLORATADINE TEVA", + "LORATADINE RELATED COMPOUND A", + "LORATADINE RELATED COMPOUND A RS", + "MIDETORIN", + "NSC-759824", + "Neoclarityn", + "OPULIS", + "SCH 34117", + "SCH-34117" + ], + "smiles": "Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1", + "atc_code": "R06AX27" + }, + "CHEMBL3137321_approved": { + "title": "BENZHYDROCODONE", + "synonyms": [ + "BENZHYDROCODONE" + ], + "smiles": "COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341", + "atc_code": null + }, + "CHEMBL481_approved": { + "title": "IRINOTECAN", + "synonyms": [ + "BIOTECAN", + "Camptosar", + "IRINOTECAN", + "Irinotecan", + "NSC-728073" + ], + "smiles": "CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC", + "atc_code": "L01CE02" + }, + "CHEMBL1495_approved": { + "title": "OXYPHENCYCLIMINE", + "synonyms": [ + "OXYPHENCYCLIMINE", + "Oxyphencyclimine" + ], + "smiles": "CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1", + "atc_code": "A03AA01" + }, + "CHEMBL1200472_approved": { + "title": "QUAZEPAM", + "synonyms": [ + "DORAL", + "NSC-309702", + "QUAZEPAM", + "QUAZEPAM CIV", + "SCH 16134", + "SCH-16134" + ], + "smiles": "Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21", + "atc_code": "N05CD10" + }, + "CHEMBL450449_approved": { + "title": "TRABECTEDIN", + "synonyms": [ + "ECTEINASCIDIN 743", + "ECTEINASCIDINS TRABECTEDIN", + "ET-743", + "ET743", + "NSC-648766", + "TRABECTEDIN", + "Yondelis" + ], + "smiles": "COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4", + "atc_code": "L01CX01" + }, + "CHEMBL2219418_approved": { + "title": "NALOXEGOL", + "synonyms": [ + "AZ-13337019", + "MOVENTIG", + "NALOXEGOL", + "NKTR-118" + ], + "smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5", + "atc_code": "A06AH03" + }, + "CHEMBL267744_approved": { + "title": "TICRYNAFEN", + "synonyms": [ + "SK&F 62698", + "TICRYNAFEN", + "TIENILIC ACID" + ], + "smiles": "O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl", + "atc_code": "C03CC02" + }, + "CHEMBL376359_approved": { + "title": "ALOGLIPTIN", + "synonyms": [ + "ALOGLIPTIN", + "VIPIDIA" + ], + "smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O", + "atc_code": "A10BH04" + }, + "CHEMBL2105759_approved": { + "title": "BARICITINIB", + "synonyms": [ + "BARICITINIB", + "BARICITINIB PHOSPHATE", + "BARICITINIB PHOSPHATE SALT", + "Baricitinib", + "INCB-028050", + "INCB-28050", + "INCB028050", + "LY-3009104", + "LY3009104", + "Olumiant" + ], + "smiles": "CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1", + "atc_code": "L04AA37" + }, + "CHEMBL2107175_approved": { + "title": "RANELIC ACID", + "synonyms": [ + "RANELIC ACID" + ], + "smiles": "N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O", + "atc_code": null + }, + "CHEMBL1200515_approved": { + "title": "DESERPIDINE", + "synonyms": [ + "DESERPIDINE", + "DESERPIDINE, (-)-", + "HALMONYL", + "HARMONYL", + "NSC-72138", + "RECANESCIN" + ], + "smiles": "COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC", + "atc_code": "C02AA05" + }, + "CHEMBL3137308_approved": { + "title": "PEFICITINIB", + "synonyms": [ + "ASP-015K", + "ASP015K", + "JNJ-54781532", + "PEFICITINIB", + "Peficitinib" + ], + "smiles": "NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2CC3C[C@H]1C[C@@](O)(C3)C2", + "atc_code": "L04AA49" + }, + "CHEMBL1454_approved": { + "title": "LEVAMISOLE", + "synonyms": [ + "LEVAMISOLE", + "Levamisole", + "TCMDC-125847", + "TETRAMISOLE, (S)-" + ], + "smiles": "c1ccc([C@H]2CN3CCSC3=N2)cc1", + "atc_code": "P02CE01" + }, + "CHEMBL1469_approved": { + "title": "PHENYLBUTANOIC ACID", + "synonyms": [ + "PHENYLBUTANOIC ACID", + "Phenylbutyrate" + ], + "smiles": "O=C(O)CCCc1ccccc1", + "atc_code": null + }, + "CHEMBL2107381_approved": { + "title": "URIDINE TRIACETATE", + "synonyms": [ + "PN-401", + "PN401", + "RG-2133", + "RG2133", + "URIDINE TRIACETATE", + "VISTOGARD", + "VISTONURIDINE", + "XURIDEN" + ], + "smiles": "CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O", + "atc_code": "A16AX13" + }, + "CHEMBL684_approved": { + "title": "DIETHYLCARBAMAZINE", + "synonyms": [ + "CAMIN", + "DIETHYLCARBAMAZINE", + "Diethylcarbamazine", + "Hetrazan" + ], + "smiles": "CCN(CC)C(=O)N1CCN(C)CC1", + "atc_code": "P02CB02" + }, + "CHEMBL1372_approved": { + "title": "OXIGLUTATIONE", + "synonyms": [ + "GLUTATHIONE DISULFIDE", + "OXIGLUTATIONE", + "Oxiglutatione" + ], + "smiles": "N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O", + "atc_code": null + }, + "CHEMBL1431_approved": { + "title": "METFORMIN", + "synonyms": [ + "LA-6023", + "METFORMIN", + "METFORMIN EXTENDED RELEASE", + "Metformin" + ], + "smiles": "CN(C)C(=N)NC(=N)N", + "atc_code": "A10BA02" + }, + "CHEMBL1201073_approved": { + "title": "SUCCIMER", + "synonyms": [ + "CHEMET", + "DIM-SA", + "DMS-A", + "DMSA", + "Dimercaptosuccinic Acid", + "MESO-2,3-DIMERCAPTOSUCCINIC ACID", + "RO 1-7977", + "SUCCIMER" + ], + "smiles": "O=C(O)[C@@H](S)[C@@H](S)C(=O)O", + "atc_code": null + }, + "CHEMBL3544988_approved": { + "title": "DAPRODUSTAT", + "synonyms": [ + "DAPRODUSTAT", + "GSK-1278863", + "GSK1278863", + "JESDUVROQ" + ], + "smiles": "O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O", + "atc_code": "B03XA07" + }, + "CHEMBL1547_approved": { + "title": "THIAMINE ION", + "synonyms": [ + "Betaxin", + "Thiamine (Vit B1)", + "Vitamin B 1" + ], + "smiles": "Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1", + "atc_code": null + }, + "CHEMBL3414621_approved": { + "title": "TAZEMETOSTAT", + "synonyms": [ + "E-7438", + "E7438", + "EPZ-6438", + "EPZ6438", + "TAZEMETOSTAT" + ], + "smiles": "CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1", + "atc_code": "L01XX72" + }, + "CHEMBL1490_approved": { + "title": "TRIHEXYPHENIDYL", + "synonyms": [ + "APO-TRIHEX", + "NSC-12268", + "TRIHEXYPHENIDYL", + "Trihexyphenidyl" + ], + "smiles": "OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1", + "atc_code": "N04AA01" + }, + "CHEMBL1200810_approved": { + "title": "DOXERCALCIFEROL", + "synonyms": [ + "1-.ALPHA.-HYDROXYERGOCALCIFEROL", + "1-ALPHA-HYDROXYERGOCALCIFEROL", + "1-HYDROXYERGOCALCIFEROL", + "1.ALPHA.-HYDROXYERGOCALCIFEROL", + "1.ALPHA.-HYDROXYVITAMIN D2", + "DOXERCALCIFEROL", + "GZ427397", + "HECTOROL", + "TSA-840" + ], + "smiles": "C=C1/C(=C\\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O", + "atc_code": "H05BX03" + }, + "CHEMBL1194325_approved": { + "title": "ACLIDINIUM", + "synonyms": [ + "ACLIDINIUM", + "ACLIDINIUM CATION", + "ACLIDINIUM ION" + ], + "smiles": "O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1", + "atc_code": null + }, + "CHEMBL1644695_approved": { + "title": "SODIUM IODIDE", + "synonyms": [ + "FDY-5301", + "IODIDE (AS SODIUM IODIDE)", + "NSC-77388", + "SODIUM IODIDE" + ], + "smiles": "[I-].[Na+]", + "atc_code": null + }, + "CHEMBL531_approved": { + "title": "PERGOLIDE", + "synonyms": [ + "PERGOLIDE", + "Pergolide" + ], + "smiles": "CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", + "atc_code": "N04BC02" + }, + "CHEMBL511_approved": { + "title": "PYRILAMINE", + "synonyms": [ + "MEPYRAMINE", + "NSC-13136", + "Pyrilamine" + ], + "smiles": "COc1ccc(CN(CCN(C)C)c2ccccn2)cc1", + "atc_code": "R06AC01 | D04AA02" + }, + "CHEMBL46740_approved": { + "title": "BAZEDOXIFENE", + "synonyms": [ + "BAZEDOXIFENE" + ], + "smiles": "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12", + "atc_code": "G03XC02" + }, + "CHEMBL4301162_approved": { + "title": "SERDEXMETHYLPHENIDATE", + "synonyms": [ + "SERDEXMETHYLPHENIDATE" + ], + "smiles": "COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1", + "atc_code": null + }, + "CHEMBL2107333_approved": { + "title": "DIMETHYL FUMARATE", + "synonyms": [ + "AZL 0 211089", + "AZL O 211089", + "AZL-0211089", + "AZL-O-211089", + "BG 00012", + "BG 12", + "BG-00012", + "BG-12", + "BG00012", + "DIMETHYL FUMAR", + "DIMETHYL FUMARATE", + "Dimethyl fumarate Neuraxpharm", + "FAG-201", + "FP-187", + "FP187", + "FUMARIC ACID DIMETHYL ESTER", + "LAS-41008", + "LAS41008", + "NSC-167432", + "NSC-25942", + "PANACLAR", + "TECFIDERA" + ], + "smiles": "COC(=O)/C=C/C(=O)OC", + "atc_code": "L04AX07" + }, + "CHEMBL2103872_approved": { + "title": "CEFTOLOZANE", + "synonyms": [ + "CEFTOLOZANE", + "CXA-101", + "CXA-101 FREE BASE", + "FR-264205" + ], + "smiles": "Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1", + "atc_code": null + }, + "CHEMBL185_approved": { + "title": "FLUOROURACIL", + "synonyms": [ + "5 FU", + "5-FLUORURACIL", + "5-FU", + "5-Fluorouracil", + "5.F.U.", + "ACCUSITE", + "ACTIKERALL", + "ADRUCIL", + "CARAC", + "EFUDEX", + "EFUDIX", + "FLUORO-URACIL ROCHE", + "FLUOROPLEX", + "FLUOROURACIL", + "FLUOROURACILUM", + "FLUOROURICIL", + "FLURACIL", + "NSC-19893", + "PHTHORURACIL", + "QUEROPLEX", + "RO 2-9757", + "RO-2-9757", + "RO-29757", + "TOLAK" + ], + "smiles": "O=c1[nH]cc(F)c(=O)[nH]1", + "atc_code": "L01BC02 | L01BC52" + }, + "CHEMBL1621597_approved": { + "title": "IPRATROPIUM", + "synonyms": [ + "IPRATROPIUM", + "IPRATROPIUM CATION", + "IPRATROPIUM ION" + ], + "smiles": "CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2", + "atc_code": null + }, + "CHEMBL668_approved": { + "title": "PROTRIPTYLINE", + "synonyms": [ + "PROTRIPTYLINE", + "Protriptyline" + ], + "smiles": "CNCCCC1c2ccccc2C=Cc2ccccc21", + "atc_code": "N06AA11" + }, + "CHEMBL3590187_approved": { + "title": "CLASCOTERONE", + "synonyms": [ + "BREEZULA", + "CB-03-01", + "CLASCOTERONE", + "CORTEXOLONE 17.ALPHA.-PROPIONATE", + "CORTODOXONE 17.ALPHA.-PROPIONATE", + "Winlevi" + ], + "smiles": "CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", + "atc_code": "D10AX06" + }, + "CHEMBL2443262_approved": { + "title": "OLICERIDINE", + "synonyms": [ + "OLICERIDINE", + "OLINVYK", + "Olynvik", + "TRV-130", + "TRV130" + ], + "smiles": "COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1", + "atc_code": "N02AX07" + }, + "CHEMBL262777_approved": { + "title": "VANCOMYCIN", + "synonyms": [ + "VANCOMYCIN", + "Vancoled", + "Vancomycin", + "Vancor" + ], + "smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", + "atc_code": "S01AA28 | A07AA09 | J01XA01" + }, + "CHEMBL3304485_approved": { + "title": "TENAPANOR", + "synonyms": [ + "AZD-1722", + "KHK-7791", + "KHK7791", + "TENAPANOR" + ], + "smiles": "CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1", + "atc_code": "A06AX08" + }, + "CHEMBL121_approved": { + "title": "ROSIGLITAZONE", + "synonyms": [ + "AVANDIA", + "Avandamet", + "Avandaryl", + "Avandia", + "BRL-49653", + "GAUDIL", + "NSC-758698", + "REZULT", + "ROSIGLITAZONE", + "ROSIGLIZOLE", + "ROSVEL", + "Rosiglitazone", + "TDZ-01" + ], + "smiles": "CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1", + "atc_code": "A10BG02" + }, + "CHEMBL1688530_approved": { + "title": "ORITAVANCIN", + "synonyms": [ + "LY-333328", + "LY333328", + "ORITAVANCIN" + ], + "smiles": "CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O", + "atc_code": "J01XA05" + }, + "CHEMBL528_approved": { + "title": "CEFTIZOXIME", + "synonyms": [ + "CEFTIZOXIME", + "Cefizox", + "Ceftizoxime", + "FK-749" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1", + "atc_code": "J01DD07" + }, + "CHEMBL3547132_approved": { + "title": "FLUORODOPA", + "synonyms": null, + "smiles": "N[C@@H](Cc1cc(O)c(O)cc1F)C(=O)O", + "atc_code": null + }, + "CHEMBL2103827_approved": { + "title": "DROXIDOPA", + "synonyms": [ + "DOPS", + "DROXIDOPA", + "L-DOPS", + "L-THREO-DOPS", + "NORTHERA" + ], + "smiles": "N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1", + "atc_code": "C01CA27" + }, + "CHEMBL628_approved": { + "title": "PENTOXIFYLLINE", + "synonyms": [ + "BL 191", + "BL-191", + "C04AD03", + "NEOTREN MR", + "NSC-637086", + "NSC-758481", + "OXPENTIFYLLINE", + "OXYPENTIFYLLINE", + "PENTOXIFYLLINE", + "PENTOXIL", + "PENTOXIPHYLLIN", + "TRENTAL", + "TRENTAL 100", + "TRENTAL 400" + ], + "smiles": "CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O", + "atc_code": "C04AD03" + }, + "CHEMBL1615439_approved": { + "title": "PHENDIMETRAZINE", + "synonyms": [ + "NSC-169187", + "PHENDIMETRAZINE" + ], + "smiles": "C[C@H]1[C@H](c2ccccc2)OCCN1C", + "atc_code": null + }, + "CHEMBL225072_approved": { + "title": "PEMETREXED", + "synonyms": [ + "ALIMTA", + "LY-2315", + "LY-231514", + "LY231514", + "NSC-698037", + "PEMETREXED", + "PEMFEXY" + ], + "smiles": "Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1", + "atc_code": "L01BA04" + }, + "CHEMBL1808388_approved": { + "title": "BEXAGLIFLOZIN", + "synonyms": [ + "BEXAGLIFLOZIN", + "BRENZAVVY", + "EGT-0001442", + "EGT-1442", + "EGT0001442", + "EGT1442", + "THR-1442", + "THR1442" + ], + "smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", + "atc_code": null + }, + "CHEMBL1220_approved": { + "title": "TINIDAZOLE", + "synonyms": [ + "CP-12,574", + "CP-12574", + "FASIGIN", + "FASIGYN", + "HAISIGYN", + "NSC-758189", + "Symplotan", + "TINDAMAX", + "TINIDAZOLE", + "TRICOLAM", + "TRIMONASE", + "Trimonase" + ], + "smiles": "CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C", + "atc_code": "G01AF21 | P01AB02 | J01XD02" + }, + "CHEMBL3989949_approved": { + "title": "CENOBAMATE", + "synonyms": [ + "CENOBAMATE", + "Ontozry", + "XCOPRI", + "YKP-3089", + "YKP3089" + ], + "smiles": "NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl", + "atc_code": "N03AX25" + }, + "CHEMBL6_approved": { + "title": "INDOMETHACIN", + "synonyms": [ + "ACONIP", + "ARTRACIN", + "ARTRACIN SR", + "BERLIND 75 RET", + "DURAMETACIN", + "FLEXIN-25 CONTINUS", + "FLEXIN-50 CONTINUS", + "FLEXIN-75 CONTINUS", + "IMBRILON", + "INDO-LEMMON", + "INDO-PAED", + "INDOCID RET", + "INDOCID-R", + "INDOCIN", + "INDOCIN SR", + "INDODERM", + "INDOFLEX", + "INDOLAR", + "INDOLAR SR", + "INDOMAX-25", + "INDOMAX-75 SR", + "INDOMETACIN", + "INDOMETACIN FARNESIL", + "INDOMETACINUM", + "INDOMETHACIN", + "INDOMOD", + "INDOPTOL", + "INDOTARD MR 75", + "LEDMECIN", + "MAXIMET SR", + "MOBILAN", + "NSC-757061", + "NSC-77541", + "PARDELPRIN MR", + "REUMACIDE", + "RHEUMACIN LA", + "RIMACID", + "SLO-INDO", + "TIVORBEX" + ], + "smiles": "COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1", + "atc_code": "C01EB03 | M02AA23 | M01AB51 | S01BC01 | M01AB01" + }, + "CHEMBL1201345_approved": { + "title": "TETRADECYL SULFURIC ACID", + "synonyms": [ + "Tetradecyl sulfate" + ], + "smiles": "CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O", + "atc_code": null + }, + "CHEMBL409_approved": { + "title": "BICALUTAMIDE", + "synonyms": [ + "BICALUTAMIDE", + "CASODEX", + "Calutide", + "Casodex", + "Cosudex", + "ICI 176,334", + "ICI-176334", + "ICI176,334-1", + "Kalumid", + "NSC-759816" + ], + "smiles": "CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1", + "atc_code": "L02BB03" + }, + "CHEMBL609_approved": { + "title": "TRIENTINE", + "synonyms": [ + "NSC-443", + "Syprine", + "TRETHYLENETETRAMINE", + "TRIENTINE", + "TRIETHYLENE TETRAAMINE", + "TRIETHYLENE TETRAMINE", + "Trientine" + ], + "smiles": "NCCNCCNCCN", + "atc_code": "A16AX12" + }, + "CHEMBL681_approved": { + "title": "ETOMIDATE", + "synonyms": [ + "AMIDATE", + "ETOMIDATE", + "HYPNOMIDATE", + "NSC-759160" + ], + "smiles": "CCOC(=O)c1cncn1[C@H](C)c1ccccc1", + "atc_code": "N01AX07" + }, + "CHEMBL4594271_approved": { + "title": "BEROTRALSTAT", + "synonyms": [ + "BCX-7353", + "BCX7353", + "BEROTRALSTAT" + ], + "smiles": "N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1", + "atc_code": "B06AC06" + }, + "CHEMBL178803_approved": { + "title": "BLONANSERIN", + "synonyms": [ + "AD-5423", + "BLONANSERIN", + "DSP-5423" + ], + "smiles": "CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1", + "atc_code": null + }, + "CHEMBL1161_approved": { + "title": "MOMETASONE FUROATE", + "synonyms": [ + "ASMANEX HFA", + "ASMANEX TWISTHALER", + "ELOCON", + "LAS-41002", + "LAS41002", + "LYR-210", + "LYR210", + "MOMETASONE FUROATE", + "MOMETASONE FUROATE ANHYDROUS", + "MOMETASONE FUROATE HYDRATE", + "MONOVO", + "Mometasone furoate monohydrate", + "NASONEX", + "NASONEX 24HR ALLERGY", + "NSC-746171", + "NSC-760077", + "Nasonex", + "SCH 32088", + "SCH-32088", + "SINUVA" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl", + "atc_code": "D07AC13 | D07XC03 | R01AD09 | R03BA07" + }, + "CHEMBL4297620_approved": { + "title": "SOLRIAMFETOL", + "synonyms": [ + "ADX-N-05", + "JZP-110", + "R-228060", + "SKL-N-05", + "SOLRIAMFETOL", + "YKP-10A" + ], + "smiles": "NC(=O)OC[C@H](N)Cc1ccccc1", + "atc_code": "N06BA14" + }, + "CHEMBL488_approved": { + "title": "AMINOGLUTETHIMIDE", + "synonyms": [ + "AMINOGLUTETHIMIDE", + "Aminoglutethimide", + "CYTADREN", + "Cytadren", + "NSC-330915", + "ORIMETEN" + ], + "smiles": "CCC1(c2ccc(N)cc2)CCC(=O)NC1=O", + "atc_code": "L02BG01" + }, + "CHEMBL1551_approved": { + "title": "URSODIOL", + "synonyms": [ + "ACTIGALL", + "CHOLURSO", + "DESTOLIT", + "NSC-683769", + "URDOX", + "URSO 250", + "URSO FORTE", + "URSODEOXYCHOLATE", + "URSODEOXYCHOLIC ACID", + "URSODESOXYCHOLIC ACID", + "URSODIOL", + "URSOFALK", + "URSOGAL", + "URSONORM" + ], + "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": "A05AA02" + }, + "CHEMBL3545062_approved": { + "title": "VELPATASVIR", + "synonyms": [ + "GS-5816", + "VELPATASVIR" + ], + "smiles": "COC[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)COc3cc5c(ccc6nc([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)cc3-4)c[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1", + "atc_code": null + }, + "CHEMBL1201287_approved": { + "title": "DEXBROMPHENIRAMINE", + "synonyms": [ + "BROMPHENIRAMINE D-FORM", + "BROMPHENIRAMINE, (S)-", + "DEXBROMPHENIRAMINE", + "Dexbrompheniramine" + ], + "smiles": "CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1", + "atc_code": "R06AB56 | R06AB06" + }, + "CHEMBL1014_approved": { + "title": "CANDESARTAN CILEXETIL", + "synonyms": [ + "AMIAS", + "ATACAND", + "CANDESARTAN 1-(((CYCLOHEXYLOXY)CARBONYL)OXY)ETHYL ESTER", + "CANDESARTAN CILEXETIL", + "NSC-758697", + "RATACAND", + "TCV-116" + ], + "smiles": "CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1", + "atc_code": null + }, + "CHEMBL1148_approved": { + "title": "TORSEMIDE", + "synonyms": [ + "AC-4464", + "AC4464", + "BM-02.015", + "BM-02015", + "BM02.015", + "DEMADEX", + "LUPRAC", + "SOAANZ", + "TORASEMIDE", + "TORASEMIDE ANHYDROUS", + "TOREM 10", + "TOREM 2.5", + "TOREM 5", + "TORSEMIDE", + "UPCARD", + "UpCard" + ], + "smiles": "Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1", + "atc_code": "C03CA04" + }, + "CHEMBL2218861_approved": { + "title": "QUINAGOLIDE", + "synonyms": [ + "QUINAGOLIDE" + ], + "smiles": "CCCN1CC(NS(=O)(=O)N(CC)CC)CC2Cc3c(O)cccc3CC21", + "atc_code": "G02CB04" + }, + "CHEMBL45_approved": { + "title": "MELATONIN", + "synonyms": [ + "5-METHOXY N-ACETYL-TRYPTAMINE", + "BCI-049", + "CIRCADIN", + "GENERAL NUTRIT", + "HEALTH AID", + "HEIDADOUPPI", + "ICENIA", + "J5.258B", + "LIFE EXT", + "MELAPURE", + "MELATOL", + "MELATONIN", + "MELATONINE", + "MELOVINE", + "Melatonin", + "Melatonin Neurim", + "N-(2-(5-METHOXY-1H-INDOL-3-YL)ETHYL)ACETAMIDE", + "N-ACETYL-5-METHOXYTRYPTAMINE", + "NATROL", + "NATURE'S BLEND", + "NATURES BOUNTY", + "NSC-113928", + "NSC-302012", + "NSC-56423", + "QUALITY HEALTH", + "REGULIN", + "S.GARD", + "TARTROL", + "TRAVELAG", + "VESPRO", + "VYTALONIN" + ], + "smiles": "COc1ccc2[nH]cc(CCNC(C)=O)c2c1", + "atc_code": "N05CH01" + }, + "CHEMBL1587_approved": { + "title": "POLYTHIAZIDE", + "synonyms": [ + "NEPHRIL", + "NSC-108161", + "P-2525", + "POLYTHIAZIDE", + "RENESE" + ], + "smiles": "CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", + "atc_code": "C03AA05" + }, + "CHEMBL64_approved": { + "title": "ISONIAZID", + "synonyms": [ + "ARMAZID", + "ARMAZIDE", + "ATCOTIBINE", + "CEDIN", + "COTINAZIN", + "DIANICOTYL", + "DOW-ISONIAZID", + "ERALON", + "ERTUBAN", + "HIDRASONIL", + "HYDRAZID", + "HYZYD", + "IPCAZIDE", + "ISCOTIN", + "ISIDRINA", + "ISOBICINA", + "ISONIAZID", + "ISONIAZIDUM", + "ISONICOTAN", + "ISONICOTINYLHYDRAZINE", + "Isoniazid", + "LANIAZID", + "MYBASAN", + "NEUMANDIN", + "NICOTIBINE", + "NSC-9659", + "NYDRAZID", + "RIMIFON", + "STANOZIDE", + "TEEBACONIN", + "TISIODRAZIDA" + ], + "smiles": "NNC(=O)c1ccncc1", + "atc_code": "J04AC51 | J04AC01" + }, + "CHEMBL459_approved": { + "title": "METHYLDOPA", + "synonyms": [ + "(-)-.ALPHA.-METHYLDOPA", + "(S)-(-)-.ALPHA.-METHYLDOPA", + ".ALPHA.-METHYL-L-DOPA", + "ALDOMET", + "ALPHA-METHYLDOPA", + "ANHYDROUS METHYLDOPA", + "BAYER-1440L", + "DOPAMET", + "J9.247I", + "L-.ALPHA.-METHYLDOPA", + "LEDERDOPA", + "MEDOMET", + "METALPHA 250", + "METALPHA 500", + "METHYLDOPA", + "METHYLDOPA (LEVOROTATORY)", + "METHYLDOPA ANHYDROUS", + "METHYLDOPA HYDRATE", + "METHYLDOPA SESQUIHYDRATE", + "METHYLDOPA, ANHYDROUS", + "MK-351", + "NSC-169916", + "NSC-760080" + ], + "smiles": "C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O", + "atc_code": "C02AB01" + }, + "CHEMBL220492_approved": { + "title": "TOPIRAMATE", + "synonyms": [ + "(-)-TOPIRAMATE", + "EPITOMA", + "EPITOMAX", + "EPRONTIA", + "MCN-4853", + "QUDEXY", + "QUDEXY XR", + "RWJ-17021", + "RWJ-17021-000", + "SINCRONIL", + "TOPAMAC", + "TOPAMAX", + "TOPAMAX SPRINKLE", + "TOPIMAX", + "TOPINA", + "TOPIRAMATE", + "TOPOMAX", + "TROKENDI XR", + "USL-255", + "USL255" + ], + "smiles": "CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1", + "atc_code": "N03AX11" + }, + "CHEMBL1160819_approved": { + "title": "AMMONIA SOLUTION, STRONG", + "synonyms": [ + "AMMONIA", + "AMMONIA GAS", + "AMMONIA SOLUTION", + "AMMONIA SOLUTION, STRONG", + "AMMONIA SPIRIT, AROMATIC", + "AMMONIA WATER", + "AMMONIA,AROMATIC", + "AMMONIA-SOLUTION", + "AMMONIUM CAUSTICUM", + "AMMONIUM HYDROXIDE", + "AMMONIUM WATER", + "AQUA AMMONIA", + "AQUEOUS AMMONIA", + "Ammonia", + "E-527", + "INS NO.527", + "INS-527", + "NITRO-SIL", + "R 717 (AMMONIA)", + "REFRIGERENT R717", + "SPIRIT OF HARTSHORN", + "STRONG AMMONIA SOLUTION", + "STRONG-AMMONIA SOLUTION" + ], + "smiles": "N", + "atc_code": null + }, + "CHEMBL1200711_approved": { + "title": "OMEGA-3-ACID ETHYL ESTERS", + "synonyms": [ + "DOCONEXENT (DHA ETHYL ESTER)", + "DUALTIS", + "ICOSAPENT (EPA ETHYL ESTER)", + "K-85", + "K85", + "LOVAZA", + "NEBBARO", + "OMACOR", + "OMEGA-3 ACID ETHYL ESTERS", + "OMEGA-3 MARINE TRIGLYCERIDES", + "OMEGA-3-ACID ETHYL ESTER", + "OMEGA-3-ACID ETHYL ESTERS", + "OMTRYG", + "PRESTYLON", + "TAK-085", + "TEROMEG" + ], + "smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)OCC.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OCC", + "atc_code": "C10AX06" + }, + "CHEMBL1963681_approved": { + "title": "AVANAFIL", + "synonyms": [ + "AVANAFIL", + "STENDRA", + "Spedra", + "TA-1790" + ], + "smiles": "COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl", + "atc_code": "G04BE10" + }, + "CHEMBL193_approved": { + "title": "NIFEDIPINE", + "synonyms": [ + "ADALAT", + "ADALAT A.R.", + "ADALAT CC", + "ADALAT IC", + "ADALAT LA 20", + "ADALAT LA 30", + "ADALAT LA 60", + "ADALAT RET", + "ADALATE LP", + "ADANIF XL", + "ADIPINE MR 10", + "ADIPINE MR 20", + "ADIPINE XL", + "AFEDITAB CR", + "ANGIOPINE 10", + "ANGIOPINE 40 LA", + "ANGIOPINE 5", + "ANGIOPINE MR 10", + "ANGIOPINE MR 20", + "BAY A 1040", + "BAY-A-1040", + "CALANIF", + "CALCHAN MR 10", + "CALCHAN MR 20", + "CALCILAT", + "CARDILATE MR", + "CORACTEN", + "CORACTEN SR", + "CORACTEN XL", + "CORODAY MR", + "FORTIPINE LA40", + "GENALAT 10 RET", + "GENALAT 20 RET", + "HYPOLAR RET 10", + "HYPOLAR RET 20", + "HYPOLAR XL 30", + "KENTIPINE", + "KENTIPINE MR 10", + "KENTIPINE MR 20", + "NEOZIPINE XL", + "NIFE-WOLFF", + "NIFEDIPINE", + "NIFEDIPINE HYDROCHLORIDE", + "NIFEDIPINE SLOW RELEASE", + "NIFEDIPINUM", + "NIFEDIPRESS MR 10", + "NIFEDIPRESS MR 20", + "NIFEDOTARD 20 MR", + "NIFELEASE", + "NIFENSAR XL", + "NIFOPRESS MR", + "NIFOPRESS RET", + "NIMODREL MR 10", + "NIMODREL MR 20", + "NIMODREL XL", + "NIVATEN RET", + "NSC-757242", + "PROCARDIA", + "PROCARDIA XL", + "SLOFEDIPINE XL 30", + "SLOFEDIPINE XL 60", + "TENSIPINE MR 10", + "TENSIPINE MR 20", + "UNIPINE XL", + "VALNI 20 RET", + "VALNI XL", + "VASAD" + ], + "smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]", + "atc_code": "C08CA05 | C08CA55" + }, + "CHEMBL231068_approved": { + "title": "FLIBANSERIN", + "synonyms": [ + "ADDYI", + "BIMT 17", + "BIMT 17 BS", + "BIMT-17", + "BIMT-17-BS", + "ECTRIS", + "FLIBANSERIN" + ], + "smiles": "O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1", + "atc_code": "G02CX02" + }, + "CHEMBL702_approved": { + "title": "PIPERACILLIN", + "synonyms": [ + "PIPERACILLIN", + "PIPERACILLIN HYDRATE", + "PIPERACILLIN MONOHYDRATE", + "Piperacillin" + ], + "smiles": "CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O", + "atc_code": "J01CA12" + }, + "CHEMBL1538_approved": { + "title": "TENOFOVIR DISOPROXIL", + "synonyms": [ + "(R)-BIS(POC)PMPA", + "BIS-POC-PMPA", + "GS-4331", + "TENOFOVIR BIS(ISOPROPYLOXYCARBONYLOXYMETHYL) ESTER", + "TENOFOVIR DISOPROXIL", + "Tenofovir disoproxil", + "VIREAD" + ], + "smiles": "CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C", + "atc_code": "J05AF07" + }, + "CHEMBL1269025_approved": { + "title": "EDOXABAN", + "synonyms": [ + "DU-176", + "EDOXABAN", + "LIXIANA" + ], + "smiles": "CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1", + "atc_code": "B01AF03" + }, + "CHEMBL4559134_approved": { + "title": "SELPERCATINIB", + "synonyms": [ + "LOXO-292", + "LY-3527723", + "LY3527723", + "RET INHIBITOR LOXO-292", + "RETEVMO", + "Retsevmo", + "SELPERCATINIB" + ], + "smiles": "COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1", + "atc_code": "L01EX22" + }, + "CHEMBL428880_approved": { + "title": "CROMOLYN", + "synonyms": [ + "CROMO-COMOD", + "CROMOGLICATE", + "CROMOGLICIC ACID", + "CROMOGLYCATE", + "CROMOLYN", + "R03BC01" + ], + "smiles": "O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1", + "atc_code": "R03BC01 | R01AC01 | A07EB01 | D11AH03 | R01AC51 | S01GX01 | S01GX51" + }, + "CHEMBL24778_approved": { + "title": "SILODOSIN", + "synonyms": [ + "KAD-3213", + "KMD-3213", + "KSO-0400", + "RAPAFLO", + "RAPILIF", + "SILODAL", + "SILODOSIN", + "SILODYX", + "Silodyx", + "URIEF", + "UROREC" + ], + "smiles": "C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F", + "atc_code": "G04CA04" + }, + "CHEMBL1200694_approved": { + "title": "SEVOFLURANE", + "synonyms": [ + "MR-6S4", + "MR6S4", + "NSC-760367", + "SEVOCALM", + "SEVOFLO", + "SEVOFLURANE", + "SEVORANE", + "SOJOURN", + "Sevohale (previously known as Sevocalm)", + "ULTANE" + ], + "smiles": "FCOC(C(F)(F)F)C(F)(F)F", + "atc_code": "N01AB08" + }, + "CHEMBL3301607_approved": { + "title": "FILGOTINIB", + "synonyms": [ + "FILGOTINIB", + "Filgotinib", + "G-146034", + "G146034", + "GLPG-0634", + "GLPG0634", + "GS-6034 FREE BASE" + ], + "smiles": "O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1", + "atc_code": "L04AA45" + }, + "CHEMBL1404_approved": { + "title": "RANOLAZINE", + "synonyms": [ + "ASPRUZYO", + "ASPRUZYO SPRINKLE", + "CVT-303", + "NSC-759100", + "RAN D", + "RANEXA", + "RANOLAZINE", + "RS-43285-003", + "Ranexa (previously Latixa)" + ], + "smiles": "COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1", + "atc_code": "C01EB18" + }, + "CHEMBL956_approved": { + "title": "SUPROFEN", + "synonyms": [ + "NSC-303611", + "P-(2-THENOYL)HYDRATROPIC ACID", + "P-2-THENOYLHYDRATROPIC ACID", + "PROFENAL", + "R-25,061", + "R-25061", + "RACEMIC SUPROFEN", + "SRENDAM", + "SULPROLTIN", + "SUPROFEN", + "SUTOPROFEN", + "TN-762", + "TOPALGIC" + ], + "smiles": "CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1", + "atc_code": "M01AE07" + }, + "CHEMBL334966_approved": { + "title": "CANGRELOR", + "synonyms": [ + "AR-C69931XX", + "CANGRELOR" + ], + "smiles": "CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O", + "atc_code": "B01AC25" + }, + "CHEMBL131_approved": { + "title": "PREDNISOLONE", + "synonyms": [ + "CORTALONE", + "DEKOTIL", + "DELTA-CORTEF", + "DELTACORTRIL", + "DELTALONE", + "DILACORT", + "Desowen", + "Equisolon", + "FERNISOLONE-P", + "Hydeltra", + "Hydeltra-Tba", + "METI-DERM", + "Meticortelone", + "NSC-9120", + "NSC-9900", + "Neo-Delta-Cortef", + "PEVANTI", + "PRECORTISYL", + "PRECORTISYL FTE", + "PREDNISOLONE", + "PRELONE", + "Poly-Pred", + "Pred-G", + "Prednisolone", + "SCHERIPROCT", + "STERANE", + "Servisone", + "Tridesilon", + "Verdeso" + ], + "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO", + "atc_code": "S02BA03 | D07XA02 | R01AD02 | A01AC04 | D07AA03 | R01AD52 | C05AA04 | S03BA02 | A07EA01 | H02AB06 | A01AC54 | S01BA04 | S01CB02" + }, + "CHEMBL1078178_approved": { + "title": "MOMELOTINIB", + "synonyms": [ + "CYT-0387", + "CYT-11387", + "CYT-387", + "CYT387", + "GS-0387", + "MOMELOTINIB", + "Momelotinib" + ], + "smiles": "N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1", + "atc_code": null + }, + "CHEMBL54_approved": { + "title": "HALOPERIDOL", + "synonyms": [ + "DOLPIN", + "DOZIC", + "FORTUNAN", + "HALDOL", + "HALDOL SOLUTAB", + "HALOPERIDOL", + "HALOPERIDOL DECANOATE IMPURITY, HALOPERIDOL-", + "KENTACE", + "Keselen", + "MCN-JR-1625", + "NSC-170973", + "NSC-615296", + "R-1625", + "SERENACE" + ], + "smiles": "O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1", + "atc_code": "N05AD01" + }, + "CHEMBL81_approved": { + "title": "RALOXIFENE", + "synonyms": [ + "EVIDEN", + "Evista", + "J22.982B", + "KEOXIFENE", + "LY-139481", + "NSC-747974", + "RALOXIFENE", + "RALOXIPHENE", + "RAXETO", + "Raloxifene" + ], + "smiles": "O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12", + "atc_code": "G03XC01" + }, + "CHEMBL1946170_approved": { + "title": "REGORAFENIB", + "synonyms": [ + "BAY 73-4506", + "BAY 73-4506 monohydrate", + "BAY-73-4506", + "BAY-734506", + "REGORAFENIB", + "REGORAFENIB ANHYDROUS", + "REGORAFENIB HYDRATE", + "REGORAFENIB MONOHYDRATE", + "Stivarga" + ], + "smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1", + "atc_code": "L01EX05" + }, + "CHEMBL1201192_approved": { + "title": "ARMODAFINIL", + "synonyms": [ + "ARMODAFINIL", + "CEP-10952", + "CEP-10953", + "CRL-40982", + "MODAFINIL, (R)-", + "NSC-751850", + "NSC-758711", + "NUVIGIL", + "R-(-)-MODAFINIL" + ], + "smiles": "NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1", + "atc_code": "N06BA13" + }, + "CHEMBL1626_approved": { + "title": "CLEMASTINE", + "synonyms": [ + "CLEMASTIN", + "CLEMASTINE", + "Clemastine", + "HS-592", + "NSC-756685" + ], + "smiles": "CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1", + "atc_code": "R06AA54 | R06AA04 | D04AA14" + }, + "CHEMBL760_approved": { + "title": "ANAGRELIDE", + "synonyms": [ + "ANAGRELIDE", + "Agrylin", + "Anagrelide", + "Xagrid" + ], + "smiles": "O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1", + "atc_code": "L01XX35" + }, + "CHEMBL395091_approved": { + "title": "ESKETAMINE", + "synonyms": [ + "(-)-KETAMINE", + "ESKETAMINE", + "JNJ-54135419", + "KETA-S", + "KETAMINE, (S)-", + "KETAMINE, S-", + "KETAVED", + "L-KETAMINE", + "S-(-)-KETAMINE", + "S-KETAMINE" + ], + "smiles": "CN[C@]1(c2ccccc2Cl)CCCCC1=O", + "atc_code": "N06AX27 | N01AX14" + }, + "CHEMBL376140_approved": { + "title": "TIGECYCLINE", + "synonyms": [ + "TIGECYCLINE", + "Tygacil", + "WAY-GAR-936" + ], + "smiles": "CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", + "atc_code": "J01AA12" + }, + "CHEMBL80_approved": { + "title": "NALOXONE", + "synonyms": [ + "DBL NALOXONE", + "NALOXONE", + "NSC-70413", + "Nalone", + "Naloxone", + "Narcan", + "Narcanti", + "Suboxone" + ], + "smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5", + "atc_code": "A06AH04 | V03AB15" + }, + "CHEMBL462605_approved": { + "title": "PITOLISANT", + "synonyms": [ + "BF-2.649", + "BF-2649", + "BF2.649", + "HBS-101", + "PITOLISANT", + "Pitolisant", + "Tiprolisant", + "Wakix", + "Wakix, Europe" + ], + "smiles": "Clc1ccc(CCCOCCCN2CCCCC2)cc1", + "atc_code": "N07XX11" + }, + "CHEMBL189_approved": { + "title": "MILRINONE", + "synonyms": [ + "MILRILA", + "MILRINONE", + "Milrinone", + "NSC-760072", + "WIN 47,203-2", + "WIN-47203-2" + ], + "smiles": "Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1", + "atc_code": "C01CE02" + }, + "CHEMBL12856_approved": { + "title": "INAMRINONE", + "synonyms": [ + "AMCORAL", + "AMRINONE", + "C01CE01", + "CARTONIC", + "CORDEMCURA", + "INAMRINONE", + "NSC-759805", + "VESISTOL", + "WIN 40680", + "WIN-40680", + "WINCORAM" + ], + "smiles": "Nc1cc(-c2ccncc2)c[nH]c1=O", + "atc_code": "C01CE01" + }, + "CHEMBL370805_approved": { + "title": "COCAINE", + "synonyms": [ + "(R)-(-)-COCAINE", + "BENZOYLMETHYLECGONINE", + "COCAINE", + "COCAINUM", + "IDS-NC-004", + "NEUROCAINE", + "RX-0041", + "RX0041" + ], + "smiles": "COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C", + "atc_code": "N01BC01 | S02DA02 | S01HA01 | R02AD03" + }, + "CHEMBL893_approved": { + "title": "DICLOXACILLIN", + "synonyms": [ + "BRL-1702", + "DICLOXACILLIN", + "Dicloxacillin", + "Dycill", + "Dynapen", + "Pathocil", + "R-13423" + ], + "smiles": "Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O", + "atc_code": "J01CF01" + }, + "CHEMBL89598_approved": { + "title": "VIGABATRIN", + "synonyms": [ + "5-HEXENOIC ACID, 4-AMINO-", + "CPP-109", + "GAMMA VINYL GABA", + "GAMMA-VINYL GABA", + "Kigabeq", + "MDL 71,754", + "MDL-71754", + "RMI-71754", + "SABRIL", + "VIGABATRIN", + "VINYL GAMMA-AMINOBUTYRIC ACID" + ], + "smiles": "C=CC(N)CCC(=O)O", + "atc_code": "N03AG04" + }, + "CHEMBL490_approved": { + "title": "PAROXETINE", + "synonyms": [ + "(-)3S,4R-PAROXETINE", + "ARKETIS", + "AROTIN", + "BESITRAM", + "BRL 29060", + "BRL-29060", + "CASBOL", + "DAPAROX", + "FG-7051", + "FROSINOR", + "MOTIVAN", + "PAROGEN", + "PAROXETINE", + "PAXPAR", + "Paroxetine", + "Paxil", + "Pexeva", + "XETANOR" + ], + "smiles": "Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1", + "atc_code": "N06AB05" + }, + "CHEMBL970_approved": { + "title": "HALAZEPAM", + "synonyms": [ + "HALAZEPAM", + "HALAZEPAM CIV", + "PAXIPAM", + "SCH 12041", + "SCH-12041" + ], + "smiles": "O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F", + "atc_code": "N05BA13" + }, + "CHEMBL1206690_approved": { + "title": "PARECOXIB", + "synonyms": [ + "PARECOXIB", + "RAYZON", + "SC-69124", + "XAPIT" + ], + "smiles": "CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1", + "atc_code": "M01AH04" + }, + "CHEMBL771_approved": { + "title": "CYCLOSERINE", + "synonyms": [ + "CYCLOSERINE", + "CYCLOSERINUM", + "Cycloserine", + "D-CYCLOSERINE", + "NSC-154851", + "NSC-76029", + "ORIENTOMYCIN", + "SEROMYCIN" + ], + "smiles": "N[C@@H]1CONC1=O", + "atc_code": "J04AB01" + }, + "CHEMBL3349607_approved": { + "title": "PASIREOTIDE", + "synonyms": [ + "PASIREOTIDE", + "SIGNIFOR", + "SOM 230", + "SOM-230", + "SOM230" + ], + "smiles": "NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O", + "atc_code": "H01CB05" + }, + "CHEMBL1201335_approved": { + "title": "GLYCOPYRRONIUM", + "synonyms": [ + "GLYCOPYRROLATE CATION", + "GLYCOPYRROLATE ION", + "GLYCOPYRRONIUM", + "GLYCOPYRRONIUM CATION", + "GLYCOPYRRONIUM ION", + "GLYCOPYRRONIUM, ERYTHRO-" + ], + "smiles": "C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1", + "atc_code": "D11AA01" + }, + "CHEMBL1089318_approved": { + "title": "OPICAPONE", + "synonyms": [ + "BIA 9-1067", + "BIA-9-1067", + "BIA-91067", + "ONGENTYS", + "OPICAPONE", + "Ontilyv" + ], + "smiles": "Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1", + "atc_code": "N04BX04" + }, + "CHEMBL575_approved": { + "title": "METHICILLIN", + "synonyms": [ + "2,6-DIMETHOXYPHENYL PENICILLIN", + "METHICILLIN", + "METICILLIN", + "Methicillin", + "Staphcillin" + ], + "smiles": "COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O", + "atc_code": "J01CF03" + }, + "CHEMBL1201244_approved": { + "title": "ROCURONIUM", + "synonyms": [ + "ROCURONIUM", + "ROCURONIUM CATION", + "ROCURONIUM ION" + ], + "smiles": "C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1", + "atc_code": null + }, + "CHEMBL1200929_approved": { + "title": "ZINC SULFATE", + "synonyms": [ + "NSC-135806", + "NSC-32677", + "PENNINE", + "SOOTHEYE", + "SULFURIC ACID, ZINC SALT (1:1)", + "White Vitriol", + "Z Span", + "ZINC (AS SULFATE)", + "ZINC (AS SULPHATE)", + "ZINC SULFATE", + "ZINC SULFATE (1:1) HEPTAHYDRATE", + "ZINC SULFATE (1:1) MONOHYDRATE", + "ZINC SULFATE (ANHYDROUS)", + "ZINC SULFATE ANHYDROUS", + "ZINC SULFATE HYDRATE", + "ZINC SULFATE MONOHYDRATE", + "ZINC SULFATE, ANHYDROUS", + "ZINC SULFATE, UNSPECIFIED", + "ZINC SULFATE, UNSPECIFIED FORM", + "ZINC SULFATE, UNSPECIFIED HYDRATE", + "ZINC SULPHATE", + "ZINC SULPHATE (1:1) HEPTAHYDRATE", + "ZINC SULPHATE (1:1) MONOHYDRATE", + "ZINC SULPHATE ANHYDROUS", + "ZINC SULPHATE HYDRATE", + "ZINC SULPHATE, ANHYDROUS", + "ZINCFRIN", + "ZINCI SULFAS HEPTAHYDRATE", + "ZINCI SULFAS MONOHYDRATE", + "ZINCOMED", + "ZINCOSOL", + "ZINCUM SULPHURICUM", + "ZINDOLE", + "ZING", + "ZN SULF CO", + "Zinc sulfate" + ], + "smiles": "O=S(=O)([O-])[O-].[Zn+2]", + "atc_code": "A12CB01 | B05XA18" + }, + "CHEMBL521_approved": { + "title": "IBUPROFEN", + "synonyms": [ + "ACHES-N-PAIN", + "ADVIL", + "ADVIL LIQUI-GELS", + "ADVIL MIGRAINE LIQUI-GELS", + "ANADIN JOINT PAIN", + "ANADIN LIQUIFAST", + "ANADIN PERIOD PAIN RELIEF", + "ANADIN ULTRA", + "APSIFEN", + "APSIFEN-F", + "ARTHROFEN 200", + "ARTHROFEN 400", + "ARTHROFEN 600", + "BRUFEN RET", + "BURANA", + "CALDOLOR", + "CAP-PROFEN", + "CHILDREN'S ADVIL", + "CHILDREN'S ADVIL-FLAVORED", + "CHILDREN'S ELIXSURE", + "CHILDREN'S IBUPROFEN", + "CHILDREN'S MOTRIN", + "CO-OP", + "CODAFEN CONTINUS", + "CUPROFEN FOR CHILD", + "CUPROFEN PLUS", + "DEEP RELIEF", + "EBUFAC", + "FEMAFEN", + "FENBID", + "FENBID FTE", + "FENPAED", + "FEVERFEN", + "FLEXIMEX", + "IB-100", + "IBU-SLO", + "IBU-TAB", + "IBU-TAB 200", + "IBUCALM", + "IBUDERM", + "IBUFAC", + "IBUGEL", + "IBUGEL FTE", + "IBULAR", + "IBULEVE", + "IBUMED", + "IBUMETIN", + "IBUMOUSSE", + "IBUPRIN", + "IBUPROFEN", + "IBUPROFENUM", + "IBUPROHM", + "IBUSPRAY", + "IBUTIME", + "INABRIN", + "INFANT'S ADVIL", + "INOVEN", + "IP-82", + "ISISFEN", + "JUNIFEN", + "JUNIOR STRENGTH ADVIL", + "JUNIOR STRENGTH IBUPROFEN", + "JUNIOR STRENGTH MOTRIN", + "LIDIFEN", + "LIDIFEN-F", + "LOBUFEN", + "M01AE01", + "MANDAFEN", + "MANORFEN", + "MAXA-GESIC", + "MEDIPREN", + "MIDOL", + "MIDOL LIQUID GELS", + "MIGRAFEN", + "MOTRIN", + "MOTRIN IB", + "MOTRIN MIGRAINE PAIN", + "NOVAPRIN", + "NSC-256857", + "NUPRIN", + "NUROFEN 400", + "NUROFEN BACK PAIN SR", + "NUROFEN CHILD", + "NUROFEN FOR CHILD", + "NUROFEN PLUS", + "NUROFEN RECOVERY", + "NUROFEN SINUS", + "NUROFEN SOLB", + "ORBIFEN", + "PACIFENE", + "PAXOFEN", + "PEDIATRIC ADVIL", + "PHENSIC", + "PHOR PAIN", + "PHORPAIN", + "PHORPAIN MAX STRGH", + "PROFEN", + "PROFLEX", + "PROFLEX SR", + "Pedea", + "RD 13621", + "RELCOFEN", + "RIMAFEN", + "RUFEN", + "SECLODIN", + "SUSPREN", + "TAB-PROFEN", + "U-18,573", + "U-18573" + ], + "smiles": "CC(C)Cc1ccc(C(C)C(=O)O)cc1", + "atc_code": "G02CC01 | M01AE51 | M02AA13 | R02AX02 | C01EB16 | M01AE01" + }, + "CHEMBL877_approved": { + "title": "TRANEXAMIC ACID", + "synonyms": [ + "AMCHA", + "CL 65336", + "CL-65336", + "CL65336", + "CYCLO-F", + "CYCLOCAPRON", + "CYCLOKAPRON", + "CYKLO-F HEAVY PERIOD RELIEF", + "CYKLOKAPRON", + "ESPERCIL", + "EXACYL", + "FEMSTRUAL", + "HAEMATRIX", + "LB-1148", + "LB1148", + "LYSTEDA", + "MENSTRALITE", + "NSC-291305", + "RIKAVARIN", + "RP-18429", + "TRANEXAMIC ACID", + "TRANS AMCHA", + "TRANS-AMCHA", + "TRANSAMIN", + "Trans AMCHA" + ], + "smiles": "NC[C@H]1CC[C@H](C(=O)O)CC1", + "atc_code": "B02AA02" + }, + "CHEMBL471737_approved": { + "title": "IVABRADINE", + "synonyms": [ + "Corlanor", + "IVABRADINE", + "PROCORALAN", + "S-16257" + ], + "smiles": "COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2", + "atc_code": "C01EB17" + }, + "CHEMBL1643_approved": { + "title": "RIBAVIRIN", + "synonyms": [ + "COPEGUS", + "COTRONAK", + "NSC-163039", + "RIBASPHERE", + "RIBAVARIN", + "RIBAVIRIN", + "RIBAVIRIN BIOPARTNERS", + "RIBAVIRIN MYLAN", + "RIBAVIRIN TEVA", + "Rebetol", + "RibaPak", + "Ribofluranosyl Carboxamide", + "SCH 18908", + "SCH-18908", + "TRIBAVIRIN", + "Tribavirin", + "VIRAZID", + "VIRAZOLE", + "Viramid" + ], + "smiles": "NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1", + "atc_code": "J05AP01" + }, + "CHEMBL667_approved": { + "title": "ACETYLCHOLINE", + "synonyms": [ + "ACETYLCHOLINE", + "Acetylcholine" + ], + "smiles": "CC(=O)OCC[N+](C)(C)C", + "atc_code": "S01EB09" + }, + "CHEMBL361812_approved": { + "title": "RAMATROBAN", + "synonyms": [ + "BAY U 3405", + "BAY-U-3405", + "BAYNAS", + "EN 137774", + "EN-137774", + "RAMATROBAN" + ], + "smiles": "O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2", + "atc_code": null + }, + "CHEMBL4297509_approved": { + "title": "ELACESTRANT", + "synonyms": [ + "ELACESTRANT", + "ER-306323", + "RAD-1901", + "RAD1901" + ], + "smiles": "CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1", + "atc_code": null + }, + "CHEMBL1208155_approved": { + "title": "ELAGOLIX", + "synonyms": [ + "ELAGOLIX", + "Elagolix", + "NBI-56418" + ], + "smiles": "COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F", + "atc_code": "H01CC03" + }, + "CHEMBL2205807_approved": { + "title": "ABAMETAPIR", + "synonyms": [ + "5,5'-DIMETHYL-2,2'-DIPYRIDYL", + "6,6'-BI-3-PICOLINE", + "ABAMETAPIR", + "HA-44", + "Ha44", + "Xeglyze" + ], + "smiles": "Cc1ccc(-c2ccc(C)cn2)nc1", + "atc_code": "P03AX07" + }, + "CHEMBL426084_approved": { + "title": "SAMIDORPHAN", + "synonyms": [ + "ALKS 33", + "ALKS-33", + "ALKS-5461 COMPONENT SAMIDORPHAN", + "RDC-0313", + "RDC-0313-00", + "SAMIDORPHAN", + "Samidorphan" + ], + "smiles": "NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3", + "atc_code": null + }, + "CHEMBL92_approved": { + "title": "DOCETAXEL ANHYDROUS", + "synonyms": [ + "BIND 014", + "CABAZITAXEL METABOLITE (RP56976)", + "CKD-810", + "DOCETAXEL ACCORD", + "DOCETAXEL KABI", + "DOCETAXEL MYLAN", + "DOCETAXEL TEVA", + "DOCETAXEL TEVA PHARMA", + "DOCETAXEL WINTHROP", + "DOCETAXEL, ANHYDROUS", + "NSC-628503", + "RP-56976", + "RP56976", + "Taxotere" + ], + "smiles": "CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C", + "atc_code": null + }, + "CHEMBL502_approved": { + "title": "DONEPEZIL", + "synonyms": [ + "Aricept", + "D-797", + "DONAZ", + "DONEPEZIL", + "Donepezil", + "E-2020" + ], + "smiles": "COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2", + "atc_code": "N06DA02" + }, + "CHEMBL1088_approved": { + "title": "MESORIDAZINE", + "synonyms": [ + "MESORIDAZINE", + "Mesoridazine", + "NC-123", + "NSC-186066", + "Serentil", + "THIORIDAZINE-2-SULFOXIDE", + "TPS-23" + ], + "smiles": "CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21", + "atc_code": "N05AC03" + }, + "CHEMBL1201275_approved": { + "title": "ISOSULFAN BLUE", + "synonyms": null, + "smiles": "CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)O)cc1", + "atc_code": null + }, + "CHEMBL1141_approved": { + "title": "POTASSIUM IODIDE", + "synonyms": [ + "IODINE (AS POTASSIUM IODIDE)", + "IODINE (AS POTASSIUM)", + "IOSAT", + "JODETTEN DEPOT", + "KALI IODATUM", + "KALII IODIDUM", + "KALIUMJODID", + "NSC-77362", + "POT IODIDE AMMONIAT", + "POTASSIUM IODIDE", + "THYRO-BLOCK", + "THYROSAFE", + "THYROSHIELD" + ], + "smiles": "[I-].[K+]", + "atc_code": "R05CA02 | V03AB21 | S01XA04" + }, + "CHEMBL671_approved": { + "title": "THIOTEPA", + "synonyms": [ + "NSC-6396", + "THIOPLEX", + "THIOTEPA", + "Tepadina", + "Thiotepa" + ], + "smiles": "S=P(N1CC1)(N1CC1)N1CC1", + "atc_code": "L01AC01" + }, + "CHEMBL1020_approved": { + "title": "TOLMETIN", + "synonyms": [ + "MCN-2559", + "TOLMETIN", + "Tolectin", + "Tolmetin" + ], + "smiles": "Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1", + "atc_code": "M02AA21 | M01AB03" + }, + "CHEMBL1200689_approved": { + "title": "NITRIC OXIDE", + "synonyms": [ + "AMIDOGEN, OXO-", + "GENOSYL", + "INOVENT", + "INOmax", + "NITRIC OXIDE", + "NITRIC OXIDE TRIMER", + "NITROGEN OXIDE (NO)", + "NITROSYL RADICAL", + "Nitric oxide", + "OHM-11771" + ], + "smiles": "[N]=O", + "atc_code": "R07AX01" + }, + "CHEMBL256997_approved": { + "title": "ATALUREN", + "synonyms": [ + "ATALUREN", + "PTC-124", + "PTC124", + "TRANSLARNA", + "Translarna" + ], + "smiles": "O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1", + "atc_code": "M09AX03" + }, + "CHEMBL1201749_approved": { + "title": "DIFLUPREDNATE", + "synonyms": [ + "DIFLUPREDNATE", + "DUREZOL", + "W 6309", + "W-6309" + ], + "smiles": "CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "D07AC19" + }, + "CHEMBL181_approved": { + "title": "DIAZOXIDE", + "synonyms": [ + "DIAZOXIDE", + "DIAZOXIDUM", + "EUDEMINE", + "EUDEMINE INJECTION", + "Eudimine", + "HYPERSTAT", + "HYPERTONALUM", + "Mutabase", + "NSC-64198", + "NSC-76130", + "PROGLYCEM", + "SCH 6783", + "SCH-6783", + "SRG 95213", + "SRG-95213" + ], + "smiles": "CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1", + "atc_code": "V03AH01 | C02DA01" + }, + "CHEMBL4297522_approved": { + "title": "PEMIGATINIB", + "synonyms": [ + "FGFR INHIBITOR INCB054828", + "INCB-054828", + "INCB054828", + "PEMIGATINIB", + "Pemazyre" + ], + "smiles": "CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21", + "atc_code": "L01EN02" + }, + "CHEMBL1726_approved": { + "title": "NISOLDIPINE", + "synonyms": [ + "BAY K 5552", + "BAY-K-5552", + "BAYMYCARD", + "GEOMATRIX 16E", + "NISOLDIPIN", + "NISOLDIPINE", + "NISOLDIPINE (STN)", + "NSC-759106", + "SULAR", + "SYSCOR MR 10", + "SYSCOR MR 20", + "SYSCOR MR 30" + ], + "smiles": "COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]", + "atc_code": "C08CA07" + }, + "CHEMBL1443_approved": { + "title": "NAFCILLIN", + "synonyms": [ + "NAFCILLIN", + "Nafcillin", + "Nallpen", + "Unipen" + ], + "smiles": "CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O", + "atc_code": "J01CF06" + }, + "CHEMBL1374379_approved": { + "title": "BENZONATATE", + "synonyms": [ + "BENZONATATE", + "NSC-760128", + "TESSALON" + ], + "smiles": "CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1", + "atc_code": "R05DB01" + }, + "CHEMBL765_approved": { + "title": "GUANETHIDINE", + "synonyms": [ + "Esimil", + "GUANETHIDINE", + "Guanethidine", + "Ismelin" + ], + "smiles": "N=C(N)NCCN1CCCCCCC1", + "atc_code": "S01EX01 | C02CC02" + }, + "CHEMBL1517_approved": { + "title": "OXYTETRACYCLINE", + "synonyms": [ + "5-HYDROXYTETRACYCLINE DIHYDRATE", + "BERKMYCEN", + "CHEMOCYCLINE", + "E703", + "GALENOMYCIN", + "Hi-Tet", + "IMPERACIN", + "Microtet", + "NITOX", + "NSC-757262", + "NSC-9169", + "OXITETRACYCLINE", + "OXTC", + "OXYMYCIN", + "OXYTETRACYCLINE", + "OXYTETRACYCLINE (ANHYDROUS)", + "OXYTETRACYCLINE ANHYDROUS", + "OXYTETRACYCLINE DEHYDRATE", + "OXYTETRACYCLINE DIHYDRATE", + "OXYTETRACYCLINUM DIHYDRAS", + "OXYTETRAMIX-250", + "Oxytetracycline", + "TERRAFUNGINE", + "TERRAMYCIN", + "TERRAMYCINE", + "Tetraplex", + "UNIMYCIN" + ], + "smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12", + "atc_code": "J01AA06 | D06AA03 | A01AB25 | S01AA04 | G01AA07 | J01AA56" + }, + "CHEMBL270190_approved": { + "title": "ALVIMOPAN", + "synonyms": [ + "ADL 8-2698", + "ADL-8-2698", + "ALVIMOPAN", + "ALVIMOPAN ANHYDROUS", + "ALVIMOPAN DIHYDRATE", + "ANHYDROUS ALVIMOPAN", + "ENTEREG", + "LY-246736", + "LY-246736 DIHYDRATE", + "LY246736" + ], + "smiles": "C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1", + "atc_code": "A06AH02" + }, + "CHEMBL1521_approved": { + "title": "ZALEPLON", + "synonyms": [ + "CL 284,846", + "CL-284846", + "L-846", + "L846", + "LJC 10846", + "LJC-10846", + "LJC10846", + "SKP-1041", + "Sonata", + "ZAL-846", + "ZALEPLON", + "ZALEPLON CIV", + "ZERENE" + ], + "smiles": "CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1", + "atc_code": "N05CF03" + }, + "CHEMBL814_approved": { + "title": "FLUVOXAMINE", + "synonyms": [ + "FLUVOXAMINE", + "Fluvoxamine", + "N06AB08" + ], + "smiles": "COCCCC/C(=N\\OCCN)c1ccc(C(F)(F)F)cc1", + "atc_code": "N06AB08" + }, + "CHEMBL2105737_approved": { + "title": "SONIDEGIB", + "synonyms": [ + "ERISMODEGIB", + "LDE 225", + "LDE-225", + "LDE225", + "NVP-LDE 225", + "NVP-LDE-225", + "NVP-LDE225", + "SONIDEGIB" + ], + "smiles": "Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1", + "atc_code": "L01XJ02" + }, + "CHEMBL1628385_approved": { + "title": "PROCAINE BENZYLPENICILLIN", + "synonyms": [ + "BICILLIN", + "CILICAINE SYRINGE", + "DEPOCILLIN", + "E707", + "PROCAINE BENZYLPENICILLIN" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1", + "atc_code": "J01CE09" + }, + "CHEMBL578_approved": { + "title": "ENALAPRIL", + "synonyms": [ + "C09AA02", + "ENALAPRIL", + "Enalapril", + "Lexxel", + "OLINAPRIL", + "Vaseretic", + "Vasotec" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O", + "atc_code": "C09AA02" + }, + "CHEMBL282724_approved": { + "title": "SITAXENTAN", + "synonyms": [ + "IPI-1040", + "SITAXENTAN", + "SITAXSENTAN", + "TBC-11251" + ], + "smiles": "Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2", + "atc_code": "C02KX03" + }, + "CHEMBL174_approved": { + "title": "AMPICILLIN", + "synonyms": [ + "AMCILL", + "AMFIPEN", + "AMINOBENZYLPENICILLIN", + "AMINOBENZYLPENICILLIN TRIHYDRATE", + "AMPICILLIN", + "AMPICILLIN (ANHYDROUS)", + "AMPICILLIN ANHYDROUS", + "AMPICILLIN HYDRATE", + "AMPICILLIN TRIHYDRATE", + "AMPICILLIN, ANHYDROUS", + "AMPICILLINUM", + "AMPILAR", + "ANHYDROUS AMPICILLIN", + "AY-6108", + "Alpha-Aminobenzylpenicillin", + "Amcill", + "Ampicillin", + "BRITCIN", + "BRL-1341", + "NSC-528986", + "OMNIPEN (AMPICILLIN)", + "Omnipen-N", + "P-50", + "PENBRITIN", + "PFIZERPEN-A", + "POLY-CILLIN", + "POLYCILLIN", + "PRINCIPEN", + "PRINCIPEN '125'", + "PRINCIPEN '250'", + "PRINCIPEN '500'", + "Penbritin", + "Penbritin-S", + "Pfizerpen-A", + "Polycillin", + "Polycillin-N", + "Polycillin-Prb", + "Principen", + "Probampacin", + "REDICILIN", + "SEMICILLIN", + "TOKIOCILLIN", + "TOTACILLIN", + "Totacillin", + "Totacillin-N", + "ULTRABION", + "VIDOPEN", + "WY 5103" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA01 | J01CA51 | S01AA19" + }, + "CHEMBL1473_approved": { + "title": "FLUTICASONE PROPIONATE", + "synonyms": [ + "AERIVIO SPIROMAX", + "AIRFLUSAL FORSPIRO", + "ARMONAIR DIGIHALER", + "ARMONAIR RESPICLICK", + "CCI 18781", + "CCI-18781", + "CCI18781", + "CUTIVATE", + "FLIXONASE", + "FLIXOTIDE", + "FLONASE", + "FLONASE ALLERGY RELIEF", + "FLOVENT", + "FLOVENT DISKUS 100", + "FLOVENT DISKUS 250", + "FLOVENT DISKUS 50", + "FLOVENT HFA", + "FLUTICAPS", + "FLUTICASONE", + "FLUTICASONE PROPIONATE", + "FLUTICASONE PROPIONATE ", + "FLUTICASONE-17-PROPIONATE", + "FLUTIFORM", + "NASOFAN", + "NSC-759889", + "OPN-375", + "OPTINOSE", + "PF-00241939", + "PIRINASE", + "R01AD08", + "SEREFLO", + "SERETIDE 100", + "SERETIDE 125", + "SERETIDE 250", + "SERETIDE 50", + "SERETIDE 500", + "SIRDUPLA", + "XHANCE" + ], + "smiles": "CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "D07AC17 | R01AD08 | R03BA05 | R01AD58" + }, + "CHEMBL1419_approved": { + "title": "SIBUTRAMINE", + "synonyms": [ + "BUTRAMIN", + "CF-ALLI", + "MEDARIA", + "RACEMIC SIBUTRAMINE", + "REDUCTIL", + "SIBUTRAMINE", + "Sibutramine" + ], + "smiles": "CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1", + "atc_code": "A08AA10" + }, + "CHEMBL612_approved": { + "title": "DEXTROAMPHETAMINE", + "synonyms": [ + "AMFETAMINE, (S)-", + "AMPHETAMINE, D-", + "D-AMPHETAMINE", + "DEXAMFETAMINE", + "DEXAMPHETAMINE", + "DEXIDRINE", + "DEXTROAMPHETAMINE", + "Dexampex", + "Dexamphetamine", + "Dexedrine", + "Dextroamphetamine", + "Dextrostat", + "Ferndex", + "NSC-73713", + "XELSTRYM" + ], + "smiles": "C[C@H](N)Cc1ccccc1", + "atc_code": "N06BA02" + }, + "CHEMBL104_approved": { + "title": "CLOTRIMAZOLE", + "synonyms": [ + "ABTRIM", + "ACTAVALL", + "BAY 5097", + "BAY-5097", + "CANDIDEN", + "CANESTEN", + "CANESTEN AF", + "CANESTEN CRM COMBI", + "CANESTEN INTERNAL", + "CANESTEN VC", + "CLOTRIMAZOLE", + "FUNGEDERM", + "GNF-PF-3499", + "GYNE-LOTRIMIN", + "GYNE-LOTRIMIN 3", + "GYNE-LOTRIMIN 3 COMBINATION PACK", + "GYNE-LOTRIMIN COMBINATION PACK", + "GYNIX", + "LOTRIMIN", + "MASNODERM", + "MYCELEX", + "MYCELEX-7", + "MYCELEX-7 COMBINATION PACK", + "MYCELEX-G", + "MYCIL GOLD", + "NSC-257473", + "PRIVACOM", + "SVT-15652", + "TRIMYSTEN", + "TRIVAGIZOLE", + "TRIVAGIZOLE 3" + ], + "smiles": "Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1", + "atc_code": "A01AB18 | G01AF02 | D01AC01" + }, + "CHEMBL1294_approved": { + "title": "QUINIDINE", + "synonyms": [ + "(8R,9S)-QUINIDINE", + ".BETA.-QUINIDINE", + "CONQUININE", + "KINIDIN", + "PITAYINE", + "QUINIDINE" + ], + "smiles": "C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12", + "atc_code": "C01BA01 | C01BA51 | C01BA71" + }, + "CHEMBL1534_approved": { + "title": "RIBOFLAVIN", + "synonyms": [ + "BISULASE", + "C.I. 50900", + "C.I. FOOD YELLOW 15", + "E-101(III)", + "E-B2", + "E101", + "FREEDA", + "INS NO. 101(I)", + "INS NO.101(III)", + "INS-101(III)", + "LACTO-FLAVIN", + "LACTOFLAVIN", + "NCI-0033298", + "NSC-33298", + "RIBOFLAVIN", + "RIBOFLAVIN (VIT B2)", + "RIBOFLAVIN TETRABUTYRATE", + "RIBOFLAVINUM", + "RUSSUPTERIDINE YELLOW III", + "Riboflavin", + "Riboflavine", + "VITAMIN B-2", + "VITAMIN B2", + "VITAMIN B2 (AS RIBOFLAVIN)", + "VITAMIN G", + "VITAMIN-B2", + "Vitamin B 2", + "Vitamin G" + ], + "smiles": "Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C", + "atc_code": "A11HA04 | S01XA26" + }, + "CHEMBL1237054_approved": { + "title": "PLICAMYCIN", + "synonyms": [ + "A-2371", + "ANTIBIOTIC LA-7017", + "AUREOLIC ACID", + "LA-7017", + "MITHRACIN", + "MITHRAMYCIN", + "MITHRAMYCIN A", + "NSC-24559", + "PA-144", + "PLICAMYCIN" + ], + "smiles": "CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1", + "atc_code": "L01DC02" + }, + "CHEMBL861_approved": { + "title": "MEPHENYTOIN", + "synonyms": [ + "MEPHENYTOIN", + "MESANTOIN", + "METHOIN", + "NSC-34652" + ], + "smiles": "CCC1(c2ccccc2)NC(=O)N(C)C1=O", + "atc_code": "N03AB04 | N03AB54" + }, + "CHEMBL629_approved": { + "title": "AMITRIPTYLINE", + "synonyms": [ + "AMITRIPTYLINE", + "Amitid", + "Amitril", + "Amitriptyline", + "DAMITRIPTYLINE", + "Elavil", + "Endep", + "Etrafon-A", + "Etrafon-Forte", + "FLAVYL", + "LAROXYL", + "Limbitrol", + "PROHEPTADIENE", + "SEROTEN", + "TRIPTANOL" + ], + "smiles": "CN(C)CCC=C1c2ccccc2CCc2ccccc21", + "atc_code": "N06AA09" + }, + "CHEMBL1201148_approved": { + "title": "MEPREDNISONE", + "synonyms": [ + "BETAPAR", + "MEPREDNISONE", + "NSC-527579", + "SCH 4358", + "SCH-4358" + ], + "smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO", + "atc_code": "H02AB15" + }, + "CHEMBL3622821_approved": { + "title": "UPADACITINIB", + "synonyms": [ + "ABT-494", + "UPADACITINIB", + "UPADACITINIB ANHYDROUS" + ], + "smiles": "CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12", + "atc_code": "L04AA44" + }, + "CHEMBL3112741_approved": { + "title": "RELEBACTAM ANHYDROUS", + "synonyms": [ + "(-)-RELEBACTAM ANHYDROUS" + ], + "smiles": "O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O", + "atc_code": null + }, + "CHEMBL2110731_approved": { + "title": "TOFOGLIFLOZIN ANHYDROUS", + "synonyms": [ + "CSG-452", + "R-7201", + "RO-4998452", + "RO4998452" + ], + "smiles": "CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1", + "atc_code": null + }, + "CHEMBL502835_approved": { + "title": "NINTEDANIB", + "synonyms": [ + "BIBF 1120", + "BIBF-1120", + "BIBF1120", + "INTEDANIB", + "NINTEDANIB", + "Nintedanib", + "OFEV", + "Vargatef" + ], + "smiles": "COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1", + "atc_code": "L01EX09" + }, + "CHEMBL387675_approved": { + "title": "DAPTOMYCIN", + "synonyms": [ + "CIDECIN", + "CUBICIN RF", + "Cubicin", + "DAPCIN", + "DAPTOMYCIN", + "DAPZURA RT", + "LY 146032", + "LY-146032", + "LY-164032" + ], + "smiles": "CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C", + "atc_code": "J01XX09" + }, + "CHEMBL842_approved": { + "title": "CHLOROTHIAZIDE", + "synonyms": [ + "CHLOROTHIAZIDE", + "CHLORTHIAZIDE", + "Chlorothiazide", + "DIURIL", + "HYDROCHLOROTHIAZIDE IMPURITY, CHLOROTHIAZIDE-", + "NSC-25693", + "SALURIC" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O", + "atc_code": "C03AA04 | C03AH01" + }, + "CHEMBL2107830_approved": { + "title": "EMPAGLIFLOZIN", + "synonyms": [ + "BI 10773", + "BI-10773", + "BI10773", + "EMPAGLIFLOZIN", + "Jardiance" + ], + "smiles": "OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O", + "atc_code": "A10BK03" + }, + "CHEMBL1266_approved": { + "title": "TETRAHYDROZOLINE", + "synonyms": [ + "CALTHEON", + "TETRAHYDROZOLINE", + "TETRYZOLINE", + "Tetrahydrozoline", + "Tyzine" + ], + "smiles": "c1ccc2c(c1)CCCC2C1=NCCN1", + "atc_code": "S01GA52 | R01AA06 | R01AB03 | S01GA02" + }, + "CHEMBL2397415_approved": { + "title": "ZAVEGEPANT", + "synonyms": [ + "BHV-3500", + "BMS-742413", + "BMS-742413-01", + "VAZEGEPANT", + "ZAVEGEPANT" + ], + "smiles": "Cc1cc(C[C@@H](NC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCN(C)CC3)CC2)cc2cn[nH]c12", + "atc_code": null + }, + "CHEMBL75880_approved": { + "title": "PERHEXILINE", + "synonyms": [ + "PERHEXILINE" + ], + "smiles": "C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1", + "atc_code": "C08EX02" + }, + "CHEMBL1528_approved": { + "title": "SODIUM FLUORIDE", + "synonyms": [ + "DENTALFLUORO", + "DENTIPLUS", + "DURAPHAT", + "EN-DE-KAY", + "FLUOR RET", + "FLUOR-A-DAY", + "FLUORIDE (AS SODIUM FLUORIDE)", + "FLUORIDE (AS SODIUM)", + "FLUORIGARD", + "FLUORIGARD DAILY", + "FLUORIGARD WEEKLY", + "NAFRIL RET", + "NATRII FLUORIDUM", + "NATRUM FLUORATUM", + "NSC-77385", + "OSSIN", + "OSTEOFLUOR", + "PERGANTENE", + "POINT-TWO", + "SODIUM FLUORIDE", + "SODIUM FLUORIDE (NAF)", + "Sodium Fluoride", + "ZYMAFLUOR" + ], + "smiles": "[F-].[Na+]", + "atc_code": "A01AA51 | A12CD01 | A01AA01" + }, + "CHEMBL639_approved": { + "title": "AZELASTINE", + "synonyms": [ + "AZELASTINE", + "Azelastine", + "NSC-758971" + ], + "smiles": "CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1", + "atc_code": "R01AC03 | R06AX19 | S01GX07" + }, + "CHEMBL4650485_approved": { + "title": "PIRTOBRUTINIB", + "synonyms": [ + "JAYPIRCA", + "LOXO-305", + "LY-3527727", + "LY3527727", + "PIRTOBRUTINIB", + "RXC-005" + ], + "smiles": "COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1", + "atc_code": null + }, + "CHEMBL1929396_approved": { + "title": "ANAGLIPTIN", + "synonyms": [ + "ANAGLIPTIN", + "CWP-403", + "SK-0403", + "SUINY" + ], + "smiles": "Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1", + "atc_code": null + }, + "CHEMBL363295_approved": { + "title": "TERODILINE", + "synonyms": [ + "TERODILINE" + ], + "smiles": "CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C", + "atc_code": "G04BD05" + }, + "CHEMBL1201784_approved": { + "title": "HEXAMINOLEVULINATE", + "synonyms": [ + "HEXAMINOLEVULINATE" + ], + "smiles": "CCCCCCOC(=O)CCC(=O)CN", + "atc_code": "V04CX06" + }, + "CHEMBL12_approved": { + "title": "DIAZEPAM", + "synonyms": [ + "ALUPRAM 10", + "ALUPRAM 2", + "ALUPRAM 5", + "ANSIOLISINA", + "ATENSINE", + "Apozepam", + "CENTRAZEPAM", + "DIACEPIN", + "DIALAR", + "DIALAR FTE", + "DIASTAT", + "DIASTAT ACUDIAL", + "DIAZEPAM", + "DIAZEPAM CIV", + "DIAZEPAM INTENSOL", + "DIZAC", + "E-Pam", + "LA III", + "LA-III", + "NRL-1", + "NSC-169897", + "NSC-77518", + "Paxel", + "Q-PAM", + "RO 5-2807", + "RO-5-2807", + "RO-52807", + "Relanium", + "SERVIZEPAM", + "SOLIS", + "STESOLID", + "Scriptopam", + "Serenack", + "TENSIUM", + "TRANQUASE", + "Tranimul", + "VALCLAIR", + "VALIUM", + "VALRELEASE", + "VALTOCO", + "Vivol", + "WY-3467" + ], + "smiles": "CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21", + "atc_code": "N05BA01" + }, + "CHEMBL1201334_approved": { + "title": "TRIPTORELIN", + "synonyms": [ + "ARVEKAP", + "AY-25650", + "CL 118,532", + "CL-118532", + "DECAPEPTYL", + "DECAPEPTYL SR", + "GONAPEPTYL DEPOT", + "TRIPTODUR", + "TRIPTORELIN", + "TRYPTORELIN", + "WY-42462" + ], + "smiles": "CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O", + "atc_code": "L02AE04" + }, + "CHEMBL917_approved": { + "title": "FLOXURIDINE", + "synonyms": [ + "5-FUDR", + "5-Fluoro-2-deoxyuridine", + "F.U.D.R.", + "FLOXURIDINE", + "FLUORURIDINE DEOXYRIBOSE", + "FUDR", + "NSC-27640" + ], + "smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F", + "atc_code": "L01BC09" + }, + "CHEMBL1194666_approved": { + "title": "DIETHYLPROPION", + "synonyms": [ + ".ALPHA.-BENZOYLTRIETHYLAMINE", + "AMFEPRAMONE", + "ANFEPRAMONE", + "ANFERPRAMON", + "C06954", + "D07444", + "DIETHYLCATHINONE", + "DIETHYLPROPION", + "J4.327C" + ], + "smiles": "CCN(CC)C(C)C(=O)c1ccccc1", + "atc_code": "A08AA03" + }, + "CHEMBL1009_approved": { + "title": "LEVODOPA", + "synonyms": [ + "BENDOPA", + "BROCADOPA", + "Bendopa", + "CVT-301", + "DOPAR", + "Inbrija", + "LARODOPA", + "LEVODOPA", + "LEVODOPA COMPONENT OF CARBILEV", + "LEVODOPA COMPONENT OF PARCOPA", + "LEVODOPA COMPONENT OF SINEMET", + "LEVODOPUM", + "NSC-118381", + "V-1512" + ], + "smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O", + "atc_code": "N04BA01" + }, + "CHEMBL1201295_approved": { + "title": "BITOLTEROL", + "synonyms": [ + "BITOLTEROL", + "Bitolterol" + ], + "smiles": "Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1", + "atc_code": "R03AC17" + }, + "CHEMBL113_approved": { + "title": "CAFFEINE", + "synonyms": [ + "ANHYDROUS CAFFEINE", + "CAFFEINE", + "CAFFEINE ANHYDROUS", + "CAFFEINE MELTING POINT STANDARD", + "CAFFEINUM", + "COFFEINE", + "COFFEINUM", + "Cafcit", + "Caffeine", + "DURVITAN", + "FEMA NO. 2224", + "GUARANINE", + "METHYLTHEOBROMINE", + "NODOZ", + "NSC-5036", + "PRO-PLUS", + "SYNALGOS", + "THEINE", + "VIVARIN", + "YEAST-VITE", + "ZANTHINE" + ], + "smiles": "Cn1c(=O)c2c(ncn2C)n(C)c1=O", + "atc_code": "N06BC01 | D11AX26" + }, + "CHEMBL3545185_approved": { + "title": "SELINEXOR", + "synonyms": [ + "KPT-330", + "Nexpovio", + "SELINEXOR", + "Xpovio" + ], + "smiles": "O=C(/C=C\\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1", + "atc_code": "L01XX66" + }, + "CHEMBL1420_approved": { + "title": "PRALIDOXIME", + "synonyms": [ + "Atnaa", + "Duodote", + "PRALIDOXIME", + "PRALIDOXIME CATION", + "PRALIDOXIME ION", + "Pralidoxime" + ], + "smiles": "C[n+]1ccccc1C=NO", + "atc_code": "V03AB04" + }, + "CHEMBL960_approved": { + "title": "LEFLUNOMIDE", + "synonyms": [ + "ARAVA", + "HWA-486", + "L04AA13", + "LEFLUNOMIDE", + "LEFLUNOMIDE MEDAC", + "LEFLUNOMIDE RATIOPHARM", + "LEFLUNOMIDE TEVA", + "LEFLUNOMIDE WINTHROP", + "Leflunomide Zentiva (previously Leflunomide Winthrop)", + "NSC-677411", + "NSC-759864", + "REPSO", + "SU-101", + "SU101", + "SULOL" + ], + "smiles": "Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1", + "atc_code": "L04AA13" + }, + "CHEMBL1474889_approved": { + "title": "CLOBUTINOL", + "synonyms": [ + "CLOBUTINOL", + "CLOBUTINOL HYDROCHLORIDE", + "IVERSAL", + "KAT 256 [AS HYDROCHLORIDE]", + "R05DB03" + ], + "smiles": "CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1", + "atc_code": "R05DB03" + }, + "CHEMBL1201248_approved": { + "title": "CISATRACURIUM", + "synonyms": [ + "CISATRACURIUM", + "CISATRACURIUM CATION", + "CISATRACURIUM ION", + "Cisatracurium", + "NIMBEX" + ], + "smiles": "COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC", + "atc_code": "M03AC11" + }, + "CHEMBL110458_approved": { + "title": "MIGALASTAT", + "synonyms": [ + "AT-1001, GR-181314A", + "GALAFOLD", + "MIGALASTAT" + ], + "smiles": "OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O", + "atc_code": "A16AX14" + }, + "CHEMBL184412_approved": { + "title": "DRONEDARONE", + "synonyms": [ + "DRONEDARONE", + "SR-33589", + "SR33589" + ], + "smiles": "CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1", + "atc_code": "C01BD07" + }, + "CHEMBL1685_approved": { + "title": "DEZOCINE", + "synonyms": [ + "DALGAN", + "DEZOCINE", + "DOCOZINE", + "DOZOCINE", + "WY-16,225", + "WY-16225" + ], + "smiles": "C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N", + "atc_code": "N02AX03" + }, + "CHEMBL790_approved": { + "title": "CHLORHEXIDINE", + "synonyms": [ + "Avagard", + "CHLORHEXADINE", + "CHLORHEXIDINE", + "Chlorhexidine", + "DENTISEPT", + "Exidine", + "Hibistat", + "MERFEN-INCOLORE" + ], + "smiles": "N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1", + "atc_code": "D08AC02 | D09AA12 | S01AX09 | B05CA02 | D08AC52 | A01AB03 | R02AA05 | S02AA09 | S03AA04" + }, + "CHEMBL1200458_approved": { + "title": "POTASSIUM CITRATE ANHYDROUS", + "synonyms": [ + "E332", + "POTASSIUM CITRATE", + "POTASSIUM CITRATE ANHYDROUS", + "Potassium citrate", + "UROCIT-K" + ], + "smiles": "O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]", + "atc_code": null + }, + "CHEMBL3184512_approved": { + "title": "CLINDAMYCIN PHOSPHATE", + "synonyms": [ + "CLEOCIN", + "CLEOCIN PHOSPHATE", + "CLEOCIN T", + "CLINDA-DERM", + "CLINDAGEL", + "CLINDAMYCIN 2-DIHYDROGEN PHOSPHATE", + "CLINDAMYCIN PHOSPHATE", + "CLINDAMYCIN PHOSPHATE SYSTEM SUITABILITY", + "CLINDESSE", + "CLINDETS", + "DALACIN", + "DALACIN C PHOS", + "DALACIN T", + "EVOCLIN", + "NSC-618653", + "U 28508", + "U-28,508", + "U-28508", + "XACIATO", + "ZINDACLIN" + ], + "smiles": "CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1", + "atc_code": null + }, + "CHEMBL1200853_approved": { + "title": "DYDROGESTERONE", + "synonyms": [ + "DUPHASTON", + "DUPHASTON-HRT", + "DYDROGESTERONE", + "GYNOREST", + "ISOPREGNENONE", + "NSC-92336" + ], + "smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C", + "atc_code": "G03DB01" + }, + "CHEMBL3137327_approved": { + "title": "OMEGA-3-CARBOXYLIC ACIDS", + "synonyms": [ + "Epanova", + "OMEGA-3 CARBOXYLIC ACID", + "OMEGA-3-CARBOXYLIC ACIDS" + ], + "smiles": "CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCC(=O)O.CC/C=C\\C/C=C\\C/C=C\\CCCCCCCC(=O)O.CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O.CCCCC/C=C\\C/C=C\\C/C=C\\CCCCC(=O)O.CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)O", + "atc_code": null + }, + "CHEMBL514800_approved": { + "title": "APREMILAST", + "synonyms": [ + "APREMILAST", + "CC-10004", + "CC10004", + "Otezla" + ], + "smiles": "CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC", + "atc_code": "L04AA32" + }, + "CHEMBL419_approved": { + "title": "MAFENIDE", + "synonyms": [ + "4-HOMOSULFANILAMIDE", + "D06BA03", + "MAFENIDE", + "Mafenide", + "NSC-34632", + "SULFAMYLON" + ], + "smiles": "NCc1ccc(S(N)(=O)=O)cc1", + "atc_code": "D06BA03" + }, + "CHEMBL1577_approved": { + "title": "METHYCLOTHIAZIDE", + "synonyms": [ + "AQUATENSEN", + "ENDURON", + "METHYCLOTHIAZIDE", + "NSC-110431" + ], + "smiles": "CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O", + "atc_code": "C03AA08" + }, + "CHEMBL750_approved": { + "title": "ZONISAMIDE", + "synonyms": [ + "AD-810", + "CI-912", + "EXCEGRAN", + "N03AX15", + "PD-110843", + "ZONISADE", + "ZONISAMIDE", + "Zonegran" + ], + "smiles": "NS(=O)(=O)Cc1noc2ccccc12", + "atc_code": "N03AX15" + }, + "CHEMBL589_approved": { + "title": "ROPINIROLE", + "synonyms": [ + "NSC-758917", + "REQUIP", + "ROPINIROLE", + "Requip", + "Ropinirole", + "SK&F 101468" + ], + "smiles": "CCCN(CCC)CCc1cccc2c1CC(=O)N2", + "atc_code": "N04BC04" + }, + "CHEMBL22242_approved": { + "title": "REMOXIPRIDE", + "synonyms": [ + "A 33547", + "A-33547", + "FLA 731", + "FLA-731(-)", + "REMOXIPRIDE", + "Roxiam" + ], + "smiles": "CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC", + "atc_code": "N05AL04" + }, + "CHEMBL1530428_approved": { + "title": "DEXAMETHASONE ACETATE", + "synonyms": [ + "DECADRON-LA", + "DECTANCYL", + "DEXAMETHASONE 21-ACETATE", + "DEXAMETHASONE ACETATE", + "DEXAMETHASONE ACETATE ANHYDROUS", + "DEXAMETHASONE ACETATE MONOHYDRATE", + "DEXAMETHASONI ACETAS", + "DEXAMETHASONI ACETAS MONOHYDRATE", + "FORTECORTIN (CRYSTAL SUSPENSION)", + "NSC-39471" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL85_approved": { + "title": "RISPERIDONE", + "synonyms": [ + "LY-03004", + "LY03004", + "N05AX08", + "NSC-759895", + "Okedi", + "PERSERIS", + "PERSERIS KIT", + "R 64 766", + "R-64,766", + "R-64-766", + "R-64766", + "RCN-3028", + "RCN3028", + "RISPERDAL", + "RISPERDAL CONSTA", + "RISPERDAL QUICKLET", + "RISPERIDONE", + "RYKINDO", + "Risperdal Consta Long Acting", + "Risperdal M", + "Risperdal M-TAB", + "UZEDY" + ], + "smiles": "Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2", + "atc_code": "N05AX08" + }, + "CHEMBL4297412_approved": { + "title": "PAFOLACIANINE", + "synonyms": [ + "OTL 0038", + "OTL 38", + "OTL-0038", + "OTL-38", + "OTL0038", + "OTL38", + "PAFOLACIANINE" + ], + "smiles": "CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)[O-])cc3)/C(=C/C=C3\\N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc21.[H+].[H+].[H+].[H+]", + "atc_code": "V04CX10" + }, + "CHEMBL1983268_approved": { + "title": "ENTRECTINIB", + "synonyms": [ + "ENTRECTINIB", + "NMS-E628", + "RXDX-101", + "Rozlytrek" + ], + "smiles": "CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1", + "atc_code": "L01EX14" + }, + "CHEMBL2105395_approved": { + "title": "OSPEMIFENE", + "synonyms": [ + "(DEAMINOHYDROXY) TOREMIFENE", + "FC-1271", + "FC-1271A", + "OSPEMIFENE", + "OSPHENA", + "Senshio", + "TORE III" + ], + "smiles": "OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1", + "atc_code": "G03XC05" + }, + "CHEMBL691_approved": { + "title": "ETHINYL ESTRADIOL", + "synonyms": [ + "17-ETHINYLESTRADIOL", + "17ALPHA-ETHINYLESTRADIOL", + "ESTINYL", + "ETHINYL ESTRADIOL", + "ETHINYLESTRADIOL", + "ETHINYLESTRADIOLUM", + "ETHINYLOESTRADIOL", + "Enovid", + "Enovid-E", + "Ethinyl Estradiol", + "Ethynylestradiol", + "Etinestryl", + "FEMINONE", + "Follicoral", + "Ginestrene", + "LYNORAL", + "NSC-10973", + "Norinyl", + "Ovulen", + "Ovulen-21", + "Ovulen-28" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C", + "atc_code": "L02AA03 | G03CA01" + }, + "CHEMBL1201147_approved": { + "title": "OCTOCRYLENE", + "synonyms": [ + "NSC-760433", + "OCTOCRILENE", + "OCTOCRYLENE" + ], + "smiles": "CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1", + "atc_code": null + }, + "CHEMBL1171837_approved": { + "title": "PONATINIB", + "synonyms": [ + "AP-24534", + "AP24534", + "ICLUSIG", + "PONATINIB" + ], + "smiles": "Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12", + "atc_code": "L01EA05" + }, + "CHEMBL186_approved": { + "title": "CEFEPIME", + "synonyms": [ + "BMY-28142", + "CEFEPIME", + "J01DE01", + "RENAPIME", + "VNRX-5022" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1", + "atc_code": "J01DE01" + }, + "CHEMBL1261_approved": { + "title": "CITRIC ACID", + "synonyms": [ + "ACIDUM CITRICUM", + "ACIDUM CITRICUM MONOHYDRATE", + "ACILETTEN", + "ANHYDROUS CITRIC ACID", + "B1650", + "CITRATE", + "CITRIC ACID", + "CITRIC ACID ANHYDROUS", + "CITRIC ACID BP", + "CITRIC ACID HYDRATE", + "CITRIC ACID MONOGLYCERIDE", + "CITRIC ACID, ANHYDROUS", + "CITRIC ACID, HYDROUS", + "CITRIC ACID,ANHYDROUS", + "CITRIC ACID,HYDROUS", + "CITRICUM ACIDUM", + "Citric Acid", + "E-330", + "E330", + "FEMA NO. 2306", + "INS NO.330", + "INS-330", + "NSC-112226", + "NSC-30279", + "NSC-626579", + "Urologic G" + ], + "smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O", + "atc_code": "A09AB04" + }, + "CHEMBL592_approved": { + "title": "LEVORPHANOL", + "synonyms": [ + "AROMARONE", + "IDS-NL-007", + "LEVORPHAN", + "LEVORPHANOL", + "Levorphanol", + "RO 1-5431" + ], + "smiles": "CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13", + "atc_code": null + }, + "CHEMBL708_approved": { + "title": "ZIPRASIDONE", + "synonyms": [ + "CP-88059", + "Geodon", + "ZIPRADON", + "ZIPRASIDONE", + "Ziprasidone" + ], + "smiles": "O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1", + "atc_code": "N05AE04" + }, + "CHEMBL1241_approved": { + "title": "TRIPELENNAMINE", + "synonyms": [ + "NSC-118946", + "PBZ", + "PBZ-SR", + "TRIPELENNAMINE", + "Tripelennamine" + ], + "smiles": "CN(C)CCN(Cc1ccccc1)c1ccccn1", + "atc_code": "R06AC04 | D04AA04" + }, + "CHEMBL1614701_approved": { + "title": "SELUMETINIB", + "synonyms": [ + "ARRY-142886", + "ARRY-886", + "AZD-6244", + "AZD6244", + "SELUMETINIB", + "Selumetinib" + ], + "smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21", + "atc_code": "L01EE04" + }, + "CHEMBL1466_approved": { + "title": "DICUMAROL", + "synonyms": [ + "BISHYDROXYCOUMARIN", + "DICOUMAROL", + "DICOUMAROLUM", + "DICUMAROL", + "NSC-17860", + "NSC-221570", + "NSC-41834" + ], + "smiles": "O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O", + "atc_code": "B01AA01" + }, + "CHEMBL2159122_approved": { + "title": "ELUXADOLINE", + "synonyms": [ + "ELUXADOLINE", + "JNJ-27018966", + "Truberzi", + "VIBERZI" + ], + "smiles": "COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C(=O)O", + "atc_code": "A07DA06" + }, + "CHEMBL374731_approved": { + "title": "TELBIVUDINE", + "synonyms": [ + "2'-DEOXY-L-THYMIDINE", + "LDT-600", + "LDT600", + "NV-02B", + "Sebivo", + "TELBIVUDINE", + "TYZEKA" + ], + "smiles": "Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O", + "atc_code": "J05AF11" + }, + "CHEMBL430_approved": { + "title": "GEMIFLOXACIN", + "synonyms": [ + "FACTIV", + "GEMIFLOXACIN", + "Gemifloxacin" + ], + "smiles": "CO/N=C1\\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN", + "atc_code": "J01MA15" + }, + "CHEMBL1560_approved": { + "title": "CAPTOPRIL", + "synonyms": [ + "ACEPRIL", + "APOPRIL", + "C09AA01", + "CAPOTEN", + "CAPTOMAX", + "CAPTOMEX", + "CAPTOPRIL", + "CAPTOPRILUM", + "Capoten", + "ECOPACE", + "FARCOPRIL", + "GARRANIL", + "HYPOPRESS", + "HYTENEZE 12.5", + "HYTENEZE 25", + "HYTENEZE 50", + "KAPLON", + "Lopril", + "MEPHA", + "NOYADA", + "NSC-757419", + "SA-333", + "SQ -14225", + "SQ 14,225", + "SQ-14225", + "TENSIOMIN", + "Tensobon", + "ZAPTO" + ], + "smiles": "C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O", + "atc_code": "C09AA01" + }, + "CHEMBL1201168_approved": { + "title": "ISOCARBOXAZID", + "synonyms": [ + "ENERZER", + "ISOCARBOXAZID", + "MARPLAN", + "NSC-169893", + "RO 5-0831", + "RO-5-0831" + ], + "smiles": "Cc1cc(C(=O)NNCc2ccccc2)no1", + "atc_code": "N06AF01" + }, + "CHEMBL1200692_approved": { + "title": "OLMESARTAN MEDOXOMIL", + "synonyms": [ + "BENICAR", + "CS-866", + "NSC-758924", + "OLMESARTAN MEDOXOMIL", + "OLMETEC" + ], + "smiles": "CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1", + "atc_code": "C09CA08" + }, + "CHEMBL658_approved": { + "title": "SUFENTANIL", + "synonyms": [ + "IDS-NS-001", + "R 30,730", + "R-30730", + "SUFENTANIL", + "SUFENTANYL", + "Sufentanil" + ], + "smiles": "CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1", + "atc_code": "N01AH03" + }, + "CHEMBL1393_approved": { + "title": "SPIRONOLACTONE", + "synonyms": [ + "ABBOLACTONE", + "ALDACTONE", + "CAROSPIR", + "DIATENSEC", + "GX SPIRONOL", + "LARACTONE", + "NSC-150399", + "SC-9420", + "SPIRETIC", + "SPIROCTAN 100", + "SPIROCTAN 25", + "SPIROCTAN 50", + "SPIRONOLACTONE", + "SPIRONOLACTONE CEVA", + "SPIRONOLACTONUM", + "SPIROSPARE 100", + "SPIROSPARE 25", + "Spironolactone", + "Spironolactone Ceva", + "VEROSPIRONE" + ], + "smiles": "CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12", + "atc_code": "C03DA01" + }, + "CHEMBL1201329_approved": { + "title": "TRIMETHAPHAN", + "synonyms": [ + "TRIMETAPHAN", + "TRIMETHAPHAN", + "TRIMETHAPHAN CATION", + "TRIMETHAPHAN ION" + ], + "smiles": "O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1", + "atc_code": "C02BA01" + }, + "CHEMBL22_approved": { + "title": "TRIMETHOPRIM", + "synonyms": [ + "BW 56-72", + "BW-56-72", + "INFECTOTRIMET", + "IPRAL", + "LEDATRIM", + "MONOTRIM", + "NIH-204", + "NSC-106568", + "PROLOPRIM", + "Polytrim", + "Primsol", + "Proloprin", + "SYRAPRIM", + "TCMDC-125538", + "TIEMPE", + "TRIMETHOPRIM", + "TRIMETHOPRIMUM", + "TRIMOGAL", + "TRIMOPAN", + "TRIMPEX", + "TRIMPEX 200", + "TRIPRIMIX 200", + "WELLCOPRIM" + ], + "smiles": "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC", + "atc_code": "J01EA01" + }, + "CHEMBL2368925_approved": { + "title": "DOLASETRON", + "synonyms": [ + "DOLASETRON" + ], + "smiles": "O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12", + "atc_code": "A04AA04" + }, + "CHEMBL1604_approved": { + "title": "CEPHRADINE", + "synonyms": [ + "ANSPOR", + "CEFRADINE", + "CEFRADINE HYDRATE", + "CEPHRADINE", + "CEPHRADINE ANHYDROUS", + "CEPHRADINE HYDRATE", + "CEPHRADINE, UNSPECIFIED HYDRATE", + "Cefradine", + "Ecosporina", + "NICEF", + "NSC-756672", + "SK&F D-39304", + "SK-D-39304", + "SQ 11436", + "SQ 22022 [DIHYDRATE]", + "SQ-11436", + "SQ-22022", + "VELOSEF", + "VELOSEF '125'", + "VELOSEF '250'", + "VELOSEF '500'" + ], + "smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1", + "atc_code": "J01DB09" + }, + "CHEMBL1683_approved": { + "title": "HYDROCORTISONE BUTYRATE", + "synonyms": [ + "CORTISOL 17-BUTYRATE", + "HYDROCORTISONE 17-BUTYRATE", + "HYDROCORTISONE BUTYRATE", + "HYDROCORTISONE-17-BUTYRATE", + "LOCOID", + "LOCOID C", + "LOCOID CRELO", + "LOCOID LIPOCREAM", + "NSC-758433" + ], + "smiles": "CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "D07AB02" + }, + "CHEMBL4297590_approved": { + "title": "DARIDOREXANT", + "synonyms": [ + "ACT-541468", + "DARIDOREXANT", + "DEA NO. 2410", + "NEMOREXANT" + ], + "smiles": "COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1", + "atc_code": null + }, + "CHEMBL1519_approved": { + "title": "TRANDOLAPRIL", + "synonyms": [ + "GOPTEN", + "INDOLAPRIL", + "MAVIK", + "NSC-758939", + "ODRIK", + "RU 44570", + "RU-44570", + "TRANDOLAPRIL", + "Trandolapril" + ], + "smiles": "CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21", + "atc_code": "C09AA10" + }, + "CHEMBL157101_approved": { + "title": "KETOCONAZOLE", + "synonyms": [ + "DAKTARIN GOLD", + "DAKTARIN INTENSIV", + "DANDRAZOL", + "DANDRID", + "EXTINA", + "J02AB02", + "KETOCONAZOLE", + "KETOCONAZOLUM", + "KETOPINE", + "KETOZOLE", + "Ketoconazole HRA", + "Ketosidin", + "NIZORAL", + "NIZORAL A-D", + "NIZORAL ANTI-DANDRUFF", + "NIZORELLE", + "NSC-317629", + "Panfungol", + "R 41,400", + "R-41400", + "XOLEGEL" + ], + "smiles": "CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1", + "atc_code": "D01AC08 | G01AF11 | H02CA03 | J02AB02" + }, + "CHEMBL1060_approved": { + "title": "SODIUM PHOSPHATE", + "synonyms": [ + "E-339(II)", + "FEMA NO. 2398", + "INS NO.339(II)", + "INS-339(II)", + "NEUTRAL SOD PHOS", + "SODIUM ORTHOPHOSPHATE", + "SODIUM PHOSPHATE", + "SODIUM PHOSPHATE DIBASIC", + "SODIUM PHOSPHATE, UNSPECIFIED" + ], + "smiles": "O=P([O-])([O-])O.[Na+].[Na+]", + "atc_code": "B05XA09 | A06AG01 | V03AG05 | A06AD17" + }, + "CHEMBL425_approved": { + "title": "OLSALAZINE", + "synonyms": [ + "C. I. MORDANT YELLOW 5", + "Dipentum", + "OLSALAZINE", + "Olsalazine" + ], + "smiles": "O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O", + "atc_code": "A07EC03" + }, + "CHEMBL90555_approved": { + "title": "VINCRISTINE", + "synonyms": [ + "22-OXOVINCALEUKOBLASTINE", + "LEUCRISTINE", + "LEUROCRISTINE", + "ONCOTCS", + "TECNOCRIS", + "VINCALEUKOBLASTINE, 22-OXO-", + "VINCRISTIN", + "VINCRISTINE", + "VINKRISTIN", + "Vincristine" + ], + "smiles": "CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", + "atc_code": "L01CA02" + }, + "CHEMBL3989529_approved": { + "title": "ETHANOLAMINE OLEATE", + "synonyms": [ + "ETHAMOLIN", + "ETHANOLAMINE OLEATE", + "NSC-760382" + ], + "smiles": "CCCCCCCC/C=C\\CCCCCCCC(=O)O.NCCO", + "atc_code": null + }, + "CHEMBL1502_approved": { + "title": "PANTOPRAZOLE", + "synonyms": [ + "ALTOPAN", + "BY 1023", + "BY-1023", + "BY1023", + "NSC-759257", + "PANTOCID", + "PANTOLOC", + "PANTOLOC CONTROL", + "PANTOPRAZOLE", + "PANTOZOL", + "PROTIUM", + "PROTIUM I.V.", + "Pantoprazole", + "Protonix", + "SK&F 96022", + "SK&F-96022", + "SK-96022", + "SKF-96022", + "ZOVANTA" + ], + "smiles": "COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC", + "atc_code": "A02BC02" + }, + "CHEMBL43_approved": { + "title": "AMSACRINE", + "synonyms": [ + "ACRIDINYLANISIDIDE", + "AMEKRIN", + "AMSACRINE", + "AMSIDIL", + "AMSIDINE", + "CI-880", + "LAMASINE", + "M-AMSA", + "NCI-249992", + "NSC-156303", + "NSC-249992", + "SN-11841", + "SN-21429" + ], + "smiles": "COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12", + "atc_code": "L01XX01" + }, + "CHEMBL1224_approved": { + "title": "ACRIVASTINE", + "synonyms": [ + "ACRIVASTINE", + "BENADRYL ALLGY RELIEF PLUS DECONGEST", + "BW 825C", + "BW-825C", + "SEMPREX" + ], + "smiles": "Cc1ccc(/C(=C\\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1", + "atc_code": "R06AX18" + }, + "CHEMBL1198_approved": { + "title": "PRAMOXINE", + "synonyms": [ + "PRAMOCAINE", + "Pramoxine" + ], + "smiles": "CCCCOc1ccc(OCCCN2CCOCC2)cc1", + "atc_code": "D04AB07 | C05AD07" + }, + "CHEMBL405_approved": { + "title": "AMPHETAMINE", + "synonyms": [ + "ADZENYS ER", + "ADZENYS XR-ODT", + "AMFETAMIN", + "AMFETAMINE", + "AMPHETAMINE", + "AMPHETAMINE, DL-", + "Amphetamine", + "DYANAVEL", + "DYANAVEL XR", + "NOREPHEDRANE", + "NSC-27159" + ], + "smiles": "CC(N)Cc1ccccc1", + "atc_code": "N06BA01" + }, + "CHEMBL3707247_approved": { + "title": "OZANIMOD", + "synonyms": [ + "OZANIMOD", + "RPC-1063", + "RPC1063" + ], + "smiles": "CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N", + "atc_code": "L04AA38" + }, + "CHEMBL524004_approved": { + "title": "MEPENZOLATE", + "synonyms": [ + "MEPENZOLATE", + "MEPENZOLATE BROMIDE FREE BASE", + "MEPENZOLATE CATION", + "MEPENZOLATE ION" + ], + "smiles": "C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1", + "atc_code": "A03AB12" + }, + "CHEMBL1356_approved": { + "title": "SODIUM BENZOATE", + "synonyms": [ + "AMZOATE", + "ANTIMOL", + "E-211", + "E211", + "FEMA NO. 3025", + "FUMINARU", + "INS NO.211", + "INS-211", + "MICROCARE SB", + "MTHWSH", + "PUROX S", + "SOBENATE", + "SODIUM BENZOATE" + ], + "smiles": "O=C([O-])c1ccccc1.[Na+]", + "atc_code": "A16AX11" + }, + "CHEMBL1585_approved": { + "title": "PIPOBROMAN", + "synonyms": [ + "A-8103", + "NSC-25154", + "PIPOBROMAN", + "VERCYTE" + ], + "smiles": "O=C(CCBr)N1CCN(C(=O)CCBr)CC1", + "atc_code": "L01AX02" + }, + "CHEMBL76370_approved": { + "title": "TEGASEROD", + "synonyms": [ + "HTF 919", + "SDZ-HTF-919", + "TEGASEROD" + ], + "smiles": "CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12", + "atc_code": "A06AX06" + }, + "CHEMBL830_approved": { + "title": "EFLORNITHINE", + "synonyms": [ + "EFLORNITHINE", + "Eflornithine", + "Ornidyl", + "Vaniqa" + ], + "smiles": "NCCCC(N)(C(=O)O)C(F)F", + "atc_code": "D11AX16 | P01CX03" + }, + "CHEMBL2048484_approved": { + "title": "CANAGLIFLOZIN ANHYDROUS", + "synonyms": [ + "JNJ-28431754", + "TA-7284" + ], + "smiles": "Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1", + "atc_code": null + }, + "CHEMBL439849_approved": { + "title": "VILAZODONE", + "synonyms": [ + "EMD 515259", + "EMD-515259", + "EMD-68-843", + "VILAZODONE" + ], + "smiles": "N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1", + "atc_code": "N06AX24" + }, + "CHEMBL407_approved": { + "title": "FLUMAZENIL", + "synonyms": [ + "ANEXATE", + "FLUMAZENIL", + "FLUMAZEPIL", + "Flumazepil", + "LANEXAT", + "MAZICON", + "Mazicon", + "NSC-759193", + "RO 15-1788/000", + "RO-15-1788", + "RO-151788", + "RO-151788000", + "RO-1722", + "RO-41-8157", + "ROMAZICON" + ], + "smiles": "CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2", + "atc_code": "V03AB25" + }, + "CHEMBL474579_approved": { + "title": "CEFOTETAN", + "synonyms": [ + "CEFOTETAN", + "ICI 156,834", + "ICI-156,834", + "ICI-156834", + "NSC-760045" + ], + "smiles": "CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", + "atc_code": "J01DC05" + }, + "CHEMBL1472_approved": { + "title": "PROTIRELIN", + "synonyms": [ + "5-OXO-PRO-HIS-PRO-NH2", + "A-38579", + "ABBOTT-38579", + "LOPREMONE", + "NSC-760113", + "PROTIRELIN", + "PROTIRELIN TARTRATE", + "PROTIRELIN, SYNTHETIC", + "RELEFACT TRH", + "SYNTHETIC TRH", + "Synthetic TRH", + "THYPINONE", + "THYREL TRH", + "THYROID RELEASING HORMONE", + "THYROLIBERIN", + "THYROTROPIN RELEASING HORMONE", + "THYROTROPIN-RELEASING FACTOR", + "THYROTROPIN-RELEASING HORMONE", + "TRH-CAMBRIDGE" + ], + "smiles": "NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1", + "atc_code": "V04CJ02" + }, + "CHEMBL4297528_approved": { + "title": "RISDIPLAM", + "synonyms": [ + "Evrysdi", + "RG-7916", + "RG7916", + "RISDIPLAM", + "RO-7034067", + "RO7034067" + ], + "smiles": "Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1", + "atc_code": "M09AX10" + }, + "CHEMBL1308_approved": { + "title": "FOMEPIZOLE", + "synonyms": [ + "4-METHYLPYRAZOLE", + "4-MP", + "ANTIZOL", + "FOMEPIZOLE", + "NSC-760365" + ], + "smiles": "Cc1cn[nH]c1", + "atc_code": "V03AB34" + }, + "CHEMBL382301_approved": { + "title": "ATOSIBAN", + "synonyms": [ + "ANTOCILE", + "ANTOCIN", + "ANTOCIN II", + "ATOSIBAN", + "CAP-449", + "CAP-476", + "CAP-581", + "F-314", + "ORF 22164", + "ORF-22164", + "RW-22164", + "RWJ 22164", + "RWJ-22164", + "TRACTOCIL", + "TRACTOCILE" + ], + "smiles": "CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1", + "atc_code": "G02CX01" + }, + "CHEMBL1064_approved": { + "title": "SIMVASTATIN", + "synonyms": [ + "C10AA01", + "FLOLIPID", + "LACERSA", + "MK-0733", + "MK-733", + "NSC-758706", + "RANZOLONT", + "SIMVADOR", + "SIMVASTATIN", + "SYNVINOLIN", + "Simvastatin hydroxy acid", + "ZOCOR", + "ZOCOR HEART-PRO" + ], + "smiles": "CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21", + "atc_code": "C10AA01" + }, + "CHEMBL148_approved": { + "title": "IMIPENEM", + "synonyms": [ + "IMIPENEM", + "Imipenem", + "MK-0787" + ], + "smiles": "C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12", + "atc_code": null + }, + "CHEMBL1228_approved": { + "title": "OXYPHENBUTAZONE ANHYDROUS", + "synonyms": [ + "CALIFORNIT", + "CROVARIL", + "FLOGITOLO", + "FLOGORIL", + "FRABEL", + "G-27202", + "NEO-FARMADOL", + "NSC-526053", + "OXALID", + "Oxyphenbutazone", + "RAPOSTAN", + "REOZON", + "RO-04-4410", + "SUGANRIL", + "Tandearil", + "VISUBUTINA" + ], + "smiles": "CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O", + "atc_code": null + }, + "CHEMBL880_approved": { + "title": "FAMCICLOVIR", + "synonyms": [ + "BRL-42810", + "FAMCICLOVIR", + "FAMVIR", + "Famvir", + "NSC-758921" + ], + "smiles": "CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O", + "atc_code": "J05AB09 | S01AD07" + }, + "CHEMBL3990047_approved": { + "title": "OZENOXACIN", + "synonyms": [ + "GF-001001-00", + "OZENOXACIN", + "T-3912", + "Xepi" + ], + "smiles": "CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C", + "atc_code": "D06AX14" + }, + "CHEMBL529_approved": { + "title": "AZITHROMYCIN", + "synonyms": [ + "ANHYDROUS AZITHROMYCIN", + "ARUZILINA", + "AZASITE", + "AZIROMYCIN", + "AZITHROCIN", + "AZITHROMYCIN", + "AZITHROMYCIN (AS DIHYDRATE)", + "AZITHROMYCIN ANHYDROUS", + "AZITHROMYCIN DIHYDRATE", + "AZITHROMYCIN HYDRATE", + "AZITHROMYCIN, UNSPECIFIED", + "AZITHROMYCIN, UNSPECIFIED FORM", + "AZIWIN", + "AZYTER", + "CLAMELLE", + "CP 62993", + "CP-62,993", + "CP-62993", + "DURASITE", + "HEMOMYCIN", + "MACROZIT", + "NSC-758625", + "SUMAMED", + "Sumamed", + "Sunamed", + "TROZOCINA", + "XITHRONE", + "XZ 405", + "XZ 450", + "XZ-450", + "ZITHROMAC", + "ZITHROMAX", + "ZMax", + "ZYTHROMAX" + ], + "smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O", + "atc_code": "J01FA10 | S01AA26" + }, + "CHEMBL52440_approved": { + "title": "DEXTROMETHORPHAN", + "synonyms": [ + "DEXTROMETHORPHAN", + "Dextromethorphan", + "Dimetane-DX", + "NSC-751452" + ], + "smiles": "COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3", + "atc_code": "N07XX59 | R05DA09" + }, + "CHEMBL1201265_approved": { + "title": "METHYLPREDNISOLONE HEMISUCCINATE", + "synonyms": [ + "METHYLPREDNISOLONE HEMISUCCINATE", + "METHYLPREDNISOLONE SUCCINATE" + ], + "smiles": "C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCC(=O)O)[C@@]2(C)C=CC(=O)C=C12", + "atc_code": null + }, + "CHEMBL1624_approved": { + "title": "LEVOTHYROXINE", + "synonyms": [ + "L-THYROXINE", + "LEVOTHYROXIN", + "LEVOTHYROXINE", + "Levothyroxine", + "NSC-36397", + "SYNTHETIC LEVOTHYROXINE", + "THYROXINE, L-" + ], + "smiles": "N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O", + "atc_code": null + }, + "CHEMBL576982_approved": { + "title": "QUIZARTINIB", + "synonyms": [ + "AC-010220", + "AC-220", + "AC010220", + "AC220", + "ASP-2689", + "QUIZARTINIB", + "Quizartinib" + ], + "smiles": "CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1", + "atc_code": "L01EX11" + }, + "CHEMBL1452696_approved": { + "title": "FEPRAZONE", + "synonyms": [ + "DA 2370", + "DA-2370", + "FEPRAZONE" + ], + "smiles": "CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O", + "atc_code": "M02AA16 | M01AX18 | M01AX68" + }, + "CHEMBL870_approved": { + "title": "ALENDRONIC ACID", + "synonyms": [ + "ALENDRONATE", + "ALENDRONIC ACID", + "Alendronate", + "Alendronic Acid", + "BINOSTO", + "FOSAMAX", + "Fosamax" + ], + "smiles": "NCCCC(O)(P(=O)(O)O)P(=O)(O)O", + "atc_code": "M05BA04" + }, + "CHEMBL527_approved": { + "title": "PIROXICAM", + "synonyms": [ + "BREXIDOL", + "CP-16,171", + "CP-16171", + "FELDENE", + "FELDENE 20", + "FELDENE P", + "FLAMATROL", + "KENTENE", + "LARAPAM", + "NSC-666076", + "PIROFLAM 10", + "PIROFLAM 20", + "PIROXICAM", + "PIROZIP 10", + "PIROZIP 20" + ], + "smiles": "CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O", + "atc_code": "M01AC01 | M02AA07 | S01BC06" + }, + "CHEMBL1200908_approved": { + "title": "HALOBETASOL PROPIONATE", + "synonyms": [ + "21-CHLORO DIFLORASONE", + "BMY-30056", + "BRYHALI", + "CGP-14,458", + "CGP-14458", + "HALOBETASOL", + "HALOBETASOL PROPIONATE", + "IDP-122", + "JEMDEL", + "LEXETTE", + "ULOBETASOL", + "ULOBETASOL PROPIONATE", + "ULTRAVATE" + ], + "smiles": "CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": "D07AC21" + }, + "CHEMBL2103822_approved": { + "title": "TASIMELTEON", + "synonyms": [ + "BMS-214,778", + "BMS-214778", + "HETLIOZ LQ", + "Hetlioz", + "TASIMELTEON", + "VEC-162" + ], + "smiles": "CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2", + "atc_code": "N05CH03" + }, + "CHEMBL1200845_approved": { + "title": "HALCINONIDE", + "synonyms": [ + "HALCINONIDE", + "HALOG", + "HALOG-E", + "NSC-758413", + "SO 18566", + "SO-18566", + "SQ 18566", + "SQ-18566" + ], + "smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1", + "atc_code": "D07AD02" + }, + "CHEMBL685_approved": { + "title": "MEBENDAZOLE", + "synonyms": [ + "CHLORFENSON", + "EMVERM", + "K-6451", + "MEBENDAZOLE", + "MEBENDAZOLE POLYMORPH C", + "MEBENDAZOLUM", + "Mebendazole", + "Mebenvet", + "NSC-184849", + "NSC-5618", + "ORTHOTRAN", + "OVEX", + "OVITELMIN", + "OVOCHLOR", + "PANTELMIN", + "R 17,635", + "R-17635", + "Telmin", + "Telmintic", + "VERMICIDIN", + "VERMOX", + "ZHIHUANQING" + ], + "smiles": "COC(=O)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1", + "atc_code": "P02CA51 | P02CA01" + }, + "CHEMBL2104391_approved": { + "title": "INSULIN DETEMIR", + "synonyms": [ + "DETEMIR", + "INS LEVEMIR", + "INSULIN DETEMIR", + "INSULIN,DETEMIR,HUMAN", + "LEVEMIR FLEXPEN", + "LEVEMIR FLEXTOUCH", + "LEVEMIR INNOLET", + "LEVEMIR PENFILL", + "Levemir", + "NN-304" + ], + "smiles": "CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2)[C@@H](C)O)C(=O)O", + "atc_code": "A10AE05" + }, + "CHEMBL3545057_approved": { + "title": "ACETYLDIGITOXIN", + "synonyms": [ + "ACETYLDIGITOXIN", + "ACETYLDIGITOXINS .ALPHA.-FORM", + "ACYLANID" + ], + "smiles": "CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O", + "atc_code": "C01AA01" + }, + "CHEMBL2107797_approved": { + "title": "NORGESTREL", + "synonyms": [ + "DL-NORGESTREL", + "FH-122A", + "NORGESTREL", + "NSC-757251", + "OPILL", + "OVRETTE", + "Prefest", + "Previfem", + "SH-70850", + "SH-850", + "Sprintec", + "Tri-Previfem", + "Tri-Sprintec", + "WY-3707" + ], + "smiles": "C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC", + "atc_code": null + }, + "CHEMBL1377_approved": { + "title": "PROGUANIL", + "synonyms": [ + "CHLORGUANIDE", + "CHLOROGUANIDE", + "PROGUANIL", + "Proguanil" + ], + "smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1", + "atc_code": "P01BB01 | P01BB51" + }, + "CHEMBL1201087_approved": { + "title": "CABERGOLINE", + "synonyms": [ + "CABASER", + "CABERGOLINE", + "DOSTINEX", + "FCE 21336", + "FCE-21336", + "VELACTIS", + "Velactis" + ], + "smiles": "C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", + "atc_code": "G02CB03 | N04BC06" + }, + "CHEMBL398435_approved": { + "title": "TICAGRELOR", + "synonyms": [ + "AR-C126532XX", + "AZD-6140", + "AZD6140", + "BRILINTA", + "Brilique", + "POSSIA", + "TICAGRELOR" + ], + "smiles": "CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1", + "atc_code": "B01AC24" + }, + "CHEMBL372795_approved": { + "title": "STREPTOMYCIN", + "synonyms": [ + "Chemform", + "Gerox", + "NSC-14083", + "STREPTOMYCIN", + "Strepcen" + ], + "smiles": "CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O", + "atc_code": "J01GA01 | A07AA04 | A07AA54" + }, + "CHEMBL1201780_approved": { + "title": "CARGLUMIC ACID", + "synonyms": [ + "CARBAGLU", + "CARGLUMIC ACID", + "N-CARBAMYL-L-GLUTAMIC ACID", + "NSC-760124", + "OE 312", + "OE 312 (LABORATORY CODE DESIGNATION)", + "OE-312", + "Ucedane" + ], + "smiles": "NC(=O)N[C@@H](CCC(=O)O)C(=O)O", + "atc_code": "A16AA05" + }, + "CHEMBL719_approved": { + "title": "MUPIROCIN", + "synonyms": [ + "BACTODERM", + "BACTROBAN", + "BRL 4910A", + "BRL-4910A", + "Bactroban", + "CENTANY", + "MUPIROCIN", + "NSC-759182", + "PSEUDOMONIC ACID", + "TRANS-PSEUDOMONIC ACID", + "TURIXIN" + ], + "smiles": "C/C(=C\\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O", + "atc_code": "D06AX09 | R01AX06" + }, + "CHEMBL154_approved": { + "title": "NAPROXEN", + "synonyms": [ + "ALEVE", + "ARTHROSIN 250", + "ARTHROSIN 250 EC", + "ARTHROSIN 500", + "ARTHROSIN 500 EC", + "Aleve", + "Anaprox", + "CONDROTEC", + "EC-NAPROSYN", + "Equiproxen", + "FEMINAX ULTRA", + "GRENOXAL", + "KENOSYN", + "LARAFLEX", + "NAPRATEC OP", + "NAPROSYN", + "NAPROSYN 375", + "NAPROSYN EC", + "NAPROXEN", + "NSC-750183", + "NSC-757239", + "NYCOPREN", + "Naprelan", + "PN400 COMPONENT NAPROXEN", + "PRANOXEN CONTINUS", + "PROSAID", + "RHEUFLEX 250", + "RHEUFLEX 500", + "RIMOXYN", + "RS-3540", + "STIRLESCENT", + "TIMPRON", + "TIMPRON 250 EC", + "TIMPRON 500 EC", + "VALROX", + "VIMOVO" + ], + "smiles": "COc1ccc2cc([C@H](C)C(=O)O)ccc2c1", + "atc_code": "G02CC02 | M01AE02 | M02AA12" + }, + "CHEMBL473_approved": { + "title": "DOFETILIDE", + "synonyms": [ + "DOFETILIDE", + "Tikosyn", + "UK-68,798", + "UK-68798" + ], + "smiles": "CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1", + "atc_code": "C01BD04" + }, + "CHEMBL1336_approved": { + "title": "SORAFENIB", + "synonyms": [ + "BAY 43-9006", + "BAY-43-9006", + "NEXAVAR", + "SORAFENIB", + "Sorafenib" + ], + "smiles": "CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1", + "atc_code": "L01EX02" + }, + "CHEMBL3545367_approved": { + "title": "LEMBOREXANT", + "synonyms": [ + "DAYVIGO", + "E-2006", + "E2006", + "LEMBOREXANT", + "Lemborexant" + ], + "smiles": "Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1", + "atc_code": "N05CM21" + }, + "CHEMBL932_approved": { + "title": "DIPYRIDAMOLE", + "synonyms": [ + "ATTIA", + "B01AC07", + "CEREBROVASE 100", + "CEREBROVASE 25", + "DIPYRIDAMOLE", + "IV PERSANTINE", + "MODAPLATE", + "NSC-515776", + "OFCRAM PR", + "PERSANTIN", + "PERSANTIN RET", + "PERSANTINE", + "PYRIDANTIN", + "RA-8", + "VASYROL" + ], + "smiles": "OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1", + "atc_code": "B01AC07" + }, + "CHEMBL558_approved": { + "title": "MEXILETINE", + "synonyms": [ + "(RS)-MEXILETINE", + "DL-MEXILETINE", + "MEXILETINE", + "Mexiletine" + ], + "smiles": "Cc1cccc(C)c1OCC(C)N", + "atc_code": "C01BB02" + }, + "CHEMBL1113_approved": { + "title": "AMOXAPINE", + "synonyms": [ + "AMOXAPINE", + "ASENDIN", + "ASENDIS", + "CL 67,772", + "CL 67772", + "CL-67,772", + "CL-67772", + "DEFANYL", + "NSC-759559" + ], + "smiles": "Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2", + "atc_code": "N06AA17" + }, + "CHEMBL1237021_approved": { + "title": "LURASIDONE", + "synonyms": [ + "LATUDA", + "LURASIDONE", + "Lurasidone" + ], + "smiles": "O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1", + "atc_code": "N05AE05" + }, + "CHEMBL1380_approved": { + "title": "ABACAVIR", + "synonyms": [ + "ABACAVIR", + "AVACAVIR", + "Abacavir", + "Epzicom", + "NSC-742406", + "ZIAGEN", + "Ziagen" + ], + "smiles": "Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1", + "atc_code": "J05AF06" + }, + "CHEMBL1650559_approved": { + "title": "PLAZOMICIN", + "synonyms": [ + "ACHN-490", + "PLAZOMICIN" + ], + "smiles": "CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O", + "atc_code": "J01GB14" + }, + "CHEMBL58_approved": { + "title": "MITOXANTRONE", + "synonyms": [ + "MISOSTOL", + "MITOXANTRONE", + "MITOXANTRONE HYDROCHLORIDE", + "NSC-279836", + "Novantrone" + ], + "smiles": "O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21", + "atc_code": "L01DB07" + }, + "CHEMBL70927_approved": { + "title": "DEFERIPRONE", + "synonyms": [ + "APO-066", + "APO-66", + "CP-20", + "CP20", + "DEFERIPRON", + "DEFERIPRONE", + "DN-180-01-AF", + "DN-18001AF", + "Ferriprox", + "L-1", + "L1", + "NSC-758880", + "PL-1", + "PL1" + ], + "smiles": "Cc1c(O)c(=O)ccn1C", + "atc_code": "V03AC02" + }, + "CHEMBL206253_approved": { + "title": "NETUPITANT", + "synonyms": [ + "NETUPITANT", + "RO 67-3189/000", + "RO-67-3189", + "RO-673189000" + ], + "smiles": "Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", + "atc_code": null + }, + "CHEMBL647_approved": { + "title": "APRACLONIDINE", + "synonyms": [ + "APRACLONIDINE", + "Apraclonidine", + "IOPIDINE" + ], + "smiles": "Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1", + "atc_code": "S01EA03" + }, + "CHEMBL429910_approved": { + "title": "DAPAGLIFLOZIN", + "synonyms": [ + "BMS-512148", + "DAPAGLIFLOZIN", + "LYN-045" + ], + "smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", + "atc_code": "A10BK01" + }, + "CHEMBL1278_approved": { + "title": "NARATRIPTAN", + "synonyms": [ + "Amerge", + "NARATRIPTAN" + ], + "smiles": "CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1", + "atc_code": "N02CC02" + }, + "CHEMBL1201342_approved": { + "title": "METHIXENE", + "synonyms": [ + "ATOSIL", + "METIXENE", + "Methixene" + ], + "smiles": "CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1", + "atc_code": "N04AA03" + }, + "CHEMBL1201139_approved": { + "title": "MEGESTROL ACETATE", + "synonyms": [ + "5071", + "BDH 1298", + "BDH-1298", + "CHRONOPIL", + "MEGACE", + "MEGACE ES", + "MEGESTEROL ACETATE", + "MEGESTROL", + "MEGESTROL 17.ALPHA.-ACETATE", + "MEGESTROL ACETATE", + "NSC-71423", + "Ovaban", + "SC 10363", + "SC-10363" + ], + "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", + "atc_code": "L02AB01 | G03DB02 | G03AC05" + }, + "CHEMBL3989917_approved": { + "title": "FOSNETUPITANT", + "synonyms": [ + "07-PNET", + "FOSNETUPITANT" + ], + "smiles": "Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)([O-])O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", + "atc_code": null + }, + "CHEMBL4297503_approved": { + "title": "BALOXAVIR MARBOXIL", + "synonyms": [ + "BALOXAVIR MARBOXIL", + "S-033188", + "Xofluza" + ], + "smiles": "COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O", + "atc_code": "J05AX25" + }, + "CHEMBL2110725_approved": { + "title": "VINFLUNINE", + "synonyms": [ + "VINFLUNINE" + ], + "smiles": "CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32", + "atc_code": "L01CA05" + }, + "CHEMBL1163_approved": { + "title": "ATAZANAVIR", + "synonyms": [ + "ATAZANAVIR", + "Atazanavir", + "BMS-232632", + "CGP-73547", + "REYATAZ" + ], + "smiles": "COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C", + "atc_code": "J05AE08" + }, + "CHEMBL1200538_approved": { + "title": "BETAMETHASONE ACETATE", + "synonyms": [ + "BETAMETHASONE 21-ACETATE", + "BETAMETHASONE ACETATE", + "NSC-759196" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL1008_approved": { + "title": "BEPRIDIL", + "synonyms": [ + "BEPRIDIL", + "Bepadin", + "Bepridil", + "Vascor" + ], + "smiles": "CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1", + "atc_code": "C08EA02" + }, + "CHEMBL1200490_approved": { + "title": "CETRORELIX", + "synonyms": [ + "CETRORELIX", + "CETROTIDE" + ], + "smiles": "CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", + "atc_code": "H01CC02" + }, + "CHEMBL415_approved": { + "title": "CLOMIPRAMINE", + "synonyms": [ + "3-CHLORO-IMINODIBENZYL", + "ANAPRAMINE", + "Anafranil", + "CHLORIMIPRAMINE", + "CLOMICALM", + "CLOMIPRAMINE", + "Clomipramine", + "NSC-169865" + ], + "smiles": "CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21", + "atc_code": "N06AA04" + }, + "CHEMBL636_approved": { + "title": "RIVASTIGMINE", + "synonyms": [ + "ALZEST", + "ELUDEN", + "ENA-713", + "ENA-713D", + "ERASTIG", + "EXELON", + "KERSTIPON", + "NIMVASTID", + "ONO-2540", + "PROMETAX", + "RIVASTIGMINE", + "RIVASTIGMINE HEXAL", + "RIVASTIGMINE SANDOZ", + "RIVASTIGMINE TEVA", + "SDZ-212-713", + "SDZ-212713", + "SDZ-ENA-713", + "SOMNITON", + "VOLEZE" + ], + "smiles": "CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1", + "atc_code": "N06DA03" + }, + "CHEMBL515_approved": { + "title": "CHLORAMBUCIL", + "synonyms": [ + "AMBOCHLORIN", + "CB-1348", + "CHLORAMBUCIL", + "CHLORAMBUCILUM", + "CHLORBUTIN", + "Chlorambucil", + "ECLORIL", + "LEUKERAN", + "LYMPHOLYSIN", + "NCI-3088", + "NSC-3088" + ], + "smiles": "O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1", + "atc_code": "L01AA02" + }, + "CHEMBL1129_approved": { + "title": "TRIFLURIDINE", + "synonyms": [ + "F3DTHD", + "NSC-529182", + "NSC-75520", + "T.F.T.", + "TRIFLURIDINE", + "TRIFLURIDINE ", + "TRIHERPINE", + "VIROPTIC" + ], + "smiles": "O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F", + "atc_code": "L01BC59 | S01AD02" + }, + "CHEMBL1199324_approved": { + "title": "FOSAPREPITANT", + "synonyms": [ + "FOSAPREPITANT", + "IVEMEND", + "L-758298" + ], + "smiles": "C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1", + "atc_code": null + }, + "CHEMBL3545376_approved": { + "title": "ERDAFITINIB", + "synonyms": [ + "BALVERSA", + "ERDAFITINIB", + "JNJ-42756493" + ], + "smiles": "COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1", + "atc_code": "L01EN01" + }, + "CHEMBL1200709_approved": { + "title": "CROTAMITON", + "synonyms": [ + "CROTAMITON", + "CROTAN", + "EURAX", + "N-ETHYL-O-CROTONOTOLUIDIDE", + "N-ETHYLCROTONO-O-TOLUIDIDE", + "NSC-758951" + ], + "smiles": "C/C=C/C(=O)N(CC)c1ccccc1C", + "atc_code": null + }, + "CHEMBL978_approved": { + "title": "METHACHOLINE", + "synonyms": [ + "METHACHOLINE", + "METHACHOLINE CATION", + "METHACHOLINE ION", + "Methacholine", + "Provocholine" + ], + "smiles": "CC(=O)OC(C)C[N+](C)(C)C", + "atc_code": "V04CX03" + }, + "CHEMBL1091_approved": { + "title": "HYDROCORTISONE ACETATE", + "synonyms": [ + "BARQUINOL HC", + "CHLOROMYCETIN HYDROCORT", + "COLIFOAM", + "CORTEF ACETATE", + "CORTIFOAM", + "CORTISOL 21-ACETATE", + "CORTRIL", + "CORTUCID", + "DRICORT", + "EPIFOAM", + "FRAMYCORT", + "FUCIDIN H", + "GENTICIN HC", + "GENTISONE HC", + "GPPE EAR SUSP", + "GPPE EYE CRM", + "GPPE FOAM AERO", + "HC45 HYDROCORT", + "HEMSOL-HC", + "HEPACORT PLUS", + "HYDROCAL", + "HYDROCORTISONE 21-ACETATE", + "HYDROCORTISONE ACETATE", + "HYDROCORTISONI ACETAS", + "HYDROCORTONE", + "Hydrocortisone Acetate", + "LANACORT", + "MICORT-HC", + "NEO-CORTEF", + "NSC-741", + "ORABASE HCA" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL704_approved": { + "title": "MESALAMINE", + "synonyms": [ + "APRISO", + "ASACOL", + "ASACOL HD", + "BENZOIC ACID, 5-AMINO-2-HYDROXY-", + "CANASA", + "COLTEC EC", + "DELZICOL", + "FISALAMINE", + "IIALDA", + "IPOCOL", + "LIALDA", + "MAX-002", + "MESALAMINE", + "MESALAZINE", + "MESALAZINE ", + "MESREN MR", + "MEZAVANT XL", + "NSC-38877", + "OCTASA", + "PENTASA", + "PENTASA SR", + "ROWASA", + "SALOFALK", + "SFROWASA" + ], + "smiles": "Nc1ccc(O)c(C(=O)O)c1", + "atc_code": "A07EC02" + }, + "CHEMBL1900528_approved": { + "title": "TIOTROPIUM", + "synonyms": [ + "BRALTUS", + "SPIRIVA", + "SPIRIVA RESPIMAT", + "TIOTROPIUM", + "TIOTROPIUM CATION", + "TIOTROPIUM ION" + ], + "smiles": "C[N+]1(C)[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12", + "atc_code": null + }, + "CHEMBL511142_approved": { + "title": "BUPRENORPHINE", + "synonyms": [ + "ALKS-5461 COMPONENT BUPRENORPHINE", + "BRIXADI", + "BUPEAZE", + "BUPLAST", + "BUPRENORPHIN", + "BUPRENORPHINE", + "BUTEC", + "BUTRANS", + "HAPOCTASIN", + "PANITAZ", + "PRENOTRIX", + "RELETRANS", + "SEVODYNE", + "SUBLOCADE", + "SUBOXONE", + "TEMGESIC", + "TEPHINE", + "TRANSTEC" + ], + "smiles": "CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5", + "atc_code": "N07BC01 | N07BC51 | N02AE01" + }, + "CHEMBL2105720_approved": { + "title": "LESINURAD", + "synonyms": [ + "LESINURAD", + "RDEA 594", + "RDEA-594", + "RDEA594", + "Zurampic" + ], + "smiles": "O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12", + "atc_code": "M04AB05" + }, + "CHEMBL1364_approved": { + "title": "PYRIDOXINE", + "synonyms": [ + "ADERMINE", + "HEXABIONE", + "Hexa-Betalin", + "M.V.I.-12", + "NSC-759148", + "PYRIDOXINE", + "PYRIDOXINE (VIT B6)", + "PYRIDOXOL", + "VITAMIN B-6", + "VITAMIN V6", + "Vitamin B6" + ], + "smiles": "Cc1ncc(CO)c(CO)c1O", + "atc_code": "A11HA02" + }, + "CHEMBL525076_approved": { + "title": "ENFUVIRTIDE", + "synonyms": [ + "DP-178", + "DP178", + "ENFUVIRTIDE", + "Fuzeon", + "Fuzeon T-20", + "PENTAFUSIDE (TRIVIAL NAME)", + "T-20", + "T20" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O", + "atc_code": "J05AX07" + }, + "CHEMBL1234886_approved": { + "title": "OXYGEN", + "synonyms": [ + "DIOXYGEN", + "E-948", + "E948", + "INS NO.948", + "INS-948", + "MOLECULAR OXYGEN", + "Medicinal Oxygen Air Liquide Sante", + "OXYGEN", + "OXYGEN 93 PERCENT", + "OXYGEN MOLECULE", + "OXYGENIUM", + "Oxygen", + "RNS-60 COMPONENT OXYGEN", + "RNS60 COMPONENT OXYGEN" + ], + "smiles": "O=O", + "atc_code": "V03AN01" + }, + "CHEMBL3187723_approved": { + "title": "BINIMETINIB", + "synonyms": [ + "ARRY 438162", + "ARRY-162", + "ARRY-438162", + "BINIMETINIB", + "Binimetinib", + "MEK-162", + "MEK162", + "Mektovi", + "NVP-MEK162" + ], + "smiles": "Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21", + "atc_code": "L01EE03" + }, + "CHEMBL1255800_approved": { + "title": "FIDAXOMICIN", + "synonyms": [ + "DIFICID", + "Dificlir", + "FIDAXOMICIN", + "OPT-80", + "PAR-101" + ], + "smiles": "CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\\C=C\\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C", + "atc_code": "A07AA12" + }, + "CHEMBL1852688_approved": { + "title": "INFIGRATINIB", + "synonyms": [ + "BGJ-398", + "BGJ398", + "INFIGRATINIB", + "MVP-BGJ398", + "NVP-BGJ398" + ], + "smiles": "CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1", + "atc_code": "L01EN03" + }, + "CHEMBL134_approved": { + "title": "CLONIDINE", + "synonyms": [ + "CATAPRES-TTS-1", + "CATAPRES-TTS-2", + "CATAPRES-TTS-3", + "CATARPRES-TTS", + "CLONIDINE", + "CLONIDINE EXTENDED RELEASE", + "Catapres", + "Clorpres", + "Combipres", + "Duraclon", + "NEXICLON XR", + "ST-155-BS", + "ST-155BS" + ], + "smiles": "Clc1cccc(Cl)c1NC1=NCCN1", + "atc_code": "C02AC01 | N02CX02 | S01EA04" + }, + "CHEMBL457547_approved": { + "title": "MICAFUNGIN", + "synonyms": [ + "MICAFUNGIN" + ], + "smiles": "CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1", + "atc_code": "J02AX05" + }, + "CHEMBL87992_approved": { + "title": "ESLICARBAZEPINE ACETATE", + "synonyms": [ + "APTIOM", + "BIA 2-093", + "BIA-2-093", + "BIA-2093", + "ERELIB", + "ESLICARBAZEPINE ACETATE", + "PAZZUL", + "SEP - 0002093", + "SEP-0002093", + "STEDESA", + "Zebinix" + ], + "smiles": "CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21", + "atc_code": null + }, + "CHEMBL1770248_approved": { + "title": "ERTUGLIFLOZIN", + "synonyms": [ + "ERTUGLIFLOZIN", + "MK-8835", + "PF-04971729", + "PF-04971729-00", + "PF04971729", + "Steglatro" + ], + "smiles": "CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1", + "atc_code": "A10BK04" + }, + "CHEMBL6622_approved": { + "title": "ISOSORBIDE DINITRATE", + "synonyms": [ + "ANGITAK", + "C01DA08", + "CARVASIN", + "CEDOCARD", + "CEDOCARD RET", + "CEDOCARD-10", + "CEDOCARD-20", + "CEDOCARD-40", + "CEDOCARD-5", + "DILATRATE-SR", + "DILUTED ISOSORBIDE DINITRATE", + "DILUTED ISOSORBIDE DINITRATE RS", + "DILUTED-ISOSORBIDE DINITRATE", + "IMTACK", + "ISO MACK", + "ISOCARD", + "ISOKET 10", + "ISOKET 20", + "ISOKET 5", + "ISOKET RET 20", + "ISOKET RET 40", + "ISOMANNIDE DINITRATE", + "ISOMANNIDE-DINITRATE", + "ISORDIL", + "ISORDIL TEMBIDS", + "ISOSORBIDE DINITRATE", + "ISOSORBIDE DINITRATE, DILUTED", + "ISOSORBIDE DINITRATE, DILUTED-", + "ISOSORBIDI DINITRAS DILUTES", + "ISOSORBIDI DINITRAS DILUTUS", + "JERIDIN", + "NSC-80038", + "SONI-SLO", + "SORBICHEW", + "SORBID SA", + "SORBID-20 SA", + "SORBID-40 SA", + "SORBIDE NITRATE", + "SORBIDILAT", + "SORBITRATE", + "VASCARDIN" + ], + "smiles": "O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]", + "atc_code": "C05AE02 | C01DA08 | C01DA58" + }, + "CHEMBL905_approved": { + "title": "RIZATRIPTAN", + "synonyms": [ + "L-705126", + "MAXALT", + "MK-462", + "MK-462 FREE BASE", + "Maxalt", + "Maxalt-Mlt", + "RIZATRIPTAN", + "Rizatriptan" + ], + "smiles": "CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12", + "atc_code": "N02CC04" + }, + "CHEMBL31_approved": { + "title": "GATIFLOXACIN", + "synonyms": [ + "AM-1155", + "BMS-206584-01", + "BMS-20658401", + "GATIFLO", + "GATIFLOXACIN", + "GATIFLOXACIN (SESQUIHYDRATE)", + "GATIFLOXACIN ANHYDROUS", + "GATIFLOXACIN HYDRATE", + "GATIFLOXACIN SESQUIHYDRATE", + "NSC-758701", + "PD-135432", + "TEQUIN", + "ZYMAR", + "ZYMAXID", + "ZYMER" + ], + "smiles": "COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12", + "atc_code": "S01AE06 | J01MA16" + }, + "CHEMBL1095777_approved": { + "title": "INDACATEROL", + "synonyms": [ + "INDACATEROL", + "INDACTEROL", + "ONBREZ", + "QAB-149", + "QAB149", + "QABI49" + ], + "smiles": "CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2", + "atc_code": "R03AC18" + }, + "CHEMBL1595_approved": { + "title": "DIHYDROCODEINE", + "synonyms": [ + ".ALPHA.-HYDROCODOL", + "8,14-DIHYDRONEOPINE", + "CODHYDRINE", + "DEHACODIN", + "DH-CODEINE", + "DIHYDROCODEINE", + "Dihydrocodeine", + "IDS-ND-008(SECT.2)", + "NOVICONDIN", + "NSC-231319", + "RAPACODIN", + "REMEDACEN" + ], + "smiles": "COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341", + "atc_code": "N02AA08 | N02AA58" + }, + "CHEMBL1191_approved": { + "title": "SULFAMETHIZOLE", + "synonyms": [ + "MICROSUL", + "Methazol", + "NSC-757327", + "PROKLAR", + "SULFAMETHIZOLE", + "SULPHAMETHIZOLE", + "Sulfamethizole", + "Sulphamethylthiadiazole", + "THIOSULFIL", + "Tetracid", + "UROLUCOSIL" + ], + "smiles": "Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1", + "atc_code": "S01AB01 | D06BA04 | J01EB02 | B05CA04" + }, + "CHEMBL2147777_approved": { + "title": "TENELIGLIPTIN", + "synonyms": [ + "MP-513", + "TENELIGLIPTIN" + ], + "smiles": "Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1", + "atc_code": "A10BH08" + }, + "CHEMBL1200559_approved": { + "title": "LACTIC ACID", + "synonyms": [ + "ACIDUM LACTICUM", + "DL- LACTIC ACID", + "DL-LACTIC ACID", + "E 270", + "E-270", + "E270", + "FEMA NO. 2611", + "HIPURE 88", + "INS NO.270", + "INS-270", + "L-LACTIC ACID OR DL-LACTIC ACID", + "LACTATE", + "LACTIC ACID", + "LACTIC ACID, DL-", + "LACTIC ACID, UNSPECIFIED FORM", + "LACTIC ACID,BUFFERED", + "LACTICUM ACIDUM", + "LUREX", + "MILK ACID", + "NSC-367919", + "ORDINARY LACTIC ACID", + "PURAC FCC 80", + "PURAC FCC 88", + "RACEMIC LACTIC ACID", + "TONSILLOSAN" + ], + "smiles": "CC(O)C(=O)O", + "atc_code": "G01AD01" + }, + "CHEMBL1231723_approved": { + "title": "POLIDOCANOL", + "synonyms": [ + "ASCLERA", + "POLIDOCANOL", + "POLYOXYL 9 LAURYL ETHER", + "Polidocanol", + "VARITHENA" + ], + "smiles": "CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO", + "atc_code": "C05BB02" + }, + "CHEMBL4297517_approved": { + "title": "MAVACAMTEN", + "synonyms": [ + "CAMZYOS", + "MAVACAMTEN", + "MYK-461", + "SAR-439152" + ], + "smiles": "CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O", + "atc_code": "C01EB24" + }, + "CHEMBL205596_approved": { + "title": "CHOLIC ACID", + "synonyms": [ + "CHOLALIC ACID", + "CHOLIC ACID", + "Cholbam", + "Cholic Acid", + "E1000", + "Kolbam", + "NSC-6135", + "Orphacol" + ], + "smiles": "C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C", + "atc_code": "A05AA03" + }, + "CHEMBL1378_approved": { + "title": "THIETHYLPERAZINE", + "synonyms": [ + "THIETHYLPERAZINE", + "Thiethylperazine", + "Torecan" + ], + "smiles": "CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2", + "atc_code": "R06AD03" + }, + "CHEMBL1051_approved": { + "title": "LATANOPROST", + "synonyms": [ + "IYUZEH", + "LATANOPROST", + "LATANOPROST (ISOPROPYL ESTER)", + "MONOPOST", + "PHXA-41", + "PHXA41", + "T-2345", + "T2345", + "XA-41", + "XA41", + "XALATAN", + "XELPROS" + ], + "smiles": "CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O", + "atc_code": "S01EE01" + }, + "CHEMBL13_approved": { + "title": "METOPROLOL", + "synonyms": [ + "(RS)-METOPROLOL", + "BEATROLOL", + "CGP-2175", + "DL-METOPROLOL", + "Lopressidone", + "METOPROLOL", + "METOPROLOL SLOW RELEASE", + "Metoprolol", + "SEROKEN", + "Toprol-XL" + ], + "smiles": "COCCc1ccc(OCC(O)CNC(C)C)cc1", + "atc_code": "C07AB02" + }, + "CHEMBL2028661_approved": { + "title": "AZILSARTAN MEDOXOMIL", + "synonyms": [ + "AR-14", + "AZILSARTAN MEDOXOMIL", + "EDARBI", + "IPREZIV", + "TAK 491", + "TAK-491" + ], + "smiles": "CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1", + "atc_code": "C09CA09" + }, + "CHEMBL550348_approved": { + "title": "DEFERASIROX", + "synonyms": [ + "DEFERASIROX", + "Deferasirox Mylan", + "EXJADE", + "ICL-670", + "ICL-670A", + "ICL670", + "ICL670A", + "JADENU", + "JADENU SPRINKLE", + "OSVERAL" + ], + "smiles": "O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1", + "atc_code": "V03AC03" + }, + "CHEMBL1152_approved": { + "title": "PREDNISOLONE ACETATE", + "synonyms": [ + "ECONOPRED", + "FLO-PRED", + "METICORTELONE", + "NSC-10966", + "OMNIPRED", + "PRED FORTE", + "PRED FTE", + "PRED MILD", + "PREDNISOLONE 21-ACETATE", + "PREDNISOLONE ACETATE", + "PREDNISOLONI ACETAS", + "Prednisolone Acetate", + "STERANE", + "ULTRACORTENOL" + ], + "smiles": "CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL1200596_approved": { + "title": "CHLOROXINE", + "synonyms": [ + "CAPITROL", + "CHLOROXINE", + "NSC-3904" + ], + "smiles": "Oc1c(Cl)cc(Cl)c2cccnc12", + "atc_code": null + }, + "CHEMBL1200562_approved": { + "title": "HYDROCORTISONE VALERATE", + "synonyms": [ + "CORTISOL 17-VALERATE", + "HYDROCORTISONE 17-VALERATE", + "HYDROCORTISONE VALERATE", + "NSC-759133", + "WESTCORT" + ], + "smiles": "CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL2107834_approved": { + "title": "RIOCIGUAT", + "synonyms": [ + "Adempas", + "BAY 63-2521", + "BAY-63-2521", + "RIOCIGUAT" + ], + "smiles": "COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N", + "atc_code": "C02KX05" + }, + "CHEMBL442_approved": { + "title": "ERGOTAMINE", + "synonyms": [ + "ERGOTAMINE", + "Ergotamine", + "Ergotamine Tartrate", + "NSC-95090" + ], + "smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21", + "atc_code": "N02CA72 | N02CA02 | N02CA52" + }, + "CHEMBL3988900_approved": { + "title": "ZINC OXIDE", + "synonyms": [ + "ANUSOL", + "C.I. 77947", + "C.I. PIGMENT WHITE 4", + "CI 77947", + "CURASH", + "DR.ELSOMS", + "PATE A L'EAU", + "POLANO'S", + "SUDOCREM", + "Z.E.B.", + "ZINC (AS OXIDE)", + "ZINC (AS ZINC OXIDE)", + "ZINC OXIDE", + "ZINC OXIDE EMULSION", + "ZINC OXIDE NEUTRAL", + "ZINC PASTE", + "ZINC WHITE", + "ZINCI OXYDUM", + "ZINCUM OXYDATUM", + "ZN CO", + "Zinc oxide" + ], + "smiles": "[O-2].[Zn+2]", + "atc_code": null + }, + "CHEMBL3889654_approved": { + "title": "LAROTRECTINIB", + "synonyms": [ + "ARRY-470", + "BAY-2757556", + "BAY2757556", + "LAROTRECTINIB", + "LOXO-101" + ], + "smiles": "O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1", + "atc_code": "L01EX12" + }, + "CHEMBL3813873_approved": { + "title": "PEXIDARTINIB", + "synonyms": [ + "CML-261", + "PEXIDARTINIB", + "PLX-3397", + "PLX3397" + ], + "smiles": "FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1", + "atc_code": "L01EX15" + }, + "CHEMBL443_approved": { + "title": "SULFAMETHOXAZOLE", + "synonyms": [ + "ACETYLSULFAMETHOXAZOLE", + "Acetylsulfamethoxazole", + "GANTANOL", + "GANTANOL-DS", + "NSC-147832", + "RO 4-2130", + "RO-4-2130", + "STX-608", + "SULFAMETHOXAZOLE", + "SULFAMETHOXAZOLE SODIUM", + "SULFAMETHOXAZOLUM", + "SULPHAMETHOXAZOLE", + "Sinomin", + "Suphamethoxazole", + "UROBAK" + ], + "smiles": "Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1", + "atc_code": "J01EC01" + }, + "CHEMBL1201_approved": { + "title": "THIOTHIXENE", + "synonyms": [ + "(Z)-THIOTHIXENE", + "CIS-THIOTHIXENE", + "CP-12252-1", + "NAVANE", + "NSC-108165", + "ORBINAMON", + "P-4657 B", + "P-4657B", + "THIOTHIXENE", + "THIOTHIXENE CIS-ISOMER", + "TIOTIXENE" + ], + "smiles": "CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1", + "atc_code": "N05AF04" + }, + "CHEMBL1639_approved": { + "title": "ALISKIREN", + "synonyms": [ + "ALISKIREN", + "Aliskiren", + "RASILEZ", + "SPP-100", + "SPP100" + ], + "smiles": "COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC", + "atc_code": "C09XA02" + }, + "CHEMBL1201293_approved": { + "title": "ACAMPROSATE", + "synonyms": [ + "ACAMPROSATE" + ], + "smiles": "CC(=O)NCCCS(=O)(=O)O", + "atc_code": "N07BB03" + }, + "CHEMBL2107826_approved": { + "title": "VIBEGRON", + "synonyms": [ + "GEMTESA", + "KRP-114V", + "MK4618", + "VIBEGRON", + "Vibegron" + ], + "smiles": "O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21", + "atc_code": null + }, + "CHEMBL3545363_approved": { + "title": "GLECAPREVIR", + "synonyms": [ + "A-1282576", + "A-1282576.0", + "A-12825760", + "ABT-493", + "GLECAPREVIR" + ], + "smiles": "CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O", + "atc_code": null + }, + "CHEMBL857_approved": { + "title": "BIOTIN", + "synonyms": [ + "BIOTIN", + "Bioepiderm", + "Biotin", + "Biotin 100", + "D-BIOTIN", + "MD-1003", + "NSC-63865", + "RITATIN", + "VITAMIN B7", + "Vitamin H" + ], + "smiles": "O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21", + "atc_code": "A11HA05" + }, + "CHEMBL607_approved": { + "title": "MEPERIDINE", + "synonyms": [ + "IDS-NP-001", + "ISONIPECAINE", + "MEPERIDINE", + "MEPERIDOL", + "Meperidine", + "PETHANOL", + "PETHIDINE", + "PETHIDINE DBL", + "PETHIDINETER", + "RENAUDIN" + ], + "smiles": "CCOC(=O)C1(c2ccccc2)CCN(C)CC1", + "atc_code": "N02AB52 | N02AB02 | N02AB72" + }, + "CHEMBL852_approved": { + "title": "MELPHALAN", + "synonyms": [ + "ALANINE NITROGEN MUSTARD", + "ALKERAN", + "CB 3025", + "CB-3025", + "L-PAM", + "L-PHENYLALANINE MUSTARD", + "L-SARCOLYSIN", + "MELFALAN", + "MELPHALAN", + "NCI-C04853", + "NSC-241286", + "NSC-8806", + "PHENYLALANINE MUSTARD", + "SARCOLYCIN, L-", + "SK 15673", + "SK-15673" + ], + "smiles": "N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O", + "atc_code": "L01AA03" + }, + "CHEMBL1201173_approved": { + "title": "MEDRYSONE", + "synonyms": [ + "HYDROXYMESTERONE", + "MEDRYSONE", + "NSC-63278", + "U-8471" + ], + "smiles": "CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C", + "atc_code": "S01BA08" + }, + "CHEMBL1874750_approved": { + "title": "CINEPAZIDE", + "synonyms": [ + "CINEPAZIDE", + "CINEPAZIDE MALEATE", + "MD 67350 FREE BASE", + "MD 67350 [AS MALEATE]", + "MD-67350 FREE BASE" + ], + "smiles": "COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC", + "atc_code": "C04AX27" + }, + "CHEMBL1201187_approved": { + "title": "MARAVIROC", + "synonyms": [ + "Celsentri", + "MARAVIROC", + "Maraviroc", + "Rel-Maraviroc", + "SELZENTRY", + "UK-427,857", + "UK-427857" + ], + "smiles": "Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1", + "atc_code": "J05AX09" + }, + "CHEMBL1754_approved": { + "title": "DOXAPRAM", + "synonyms": [ + "DOCATONE", + "DOXAPRAM", + "Doxapram" + ], + "smiles": "CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O", + "atc_code": "R07AB01" + }, + "CHEMBL1200866_approved": { + "title": "PERFLUBRON", + "synonyms": [ + "IMAGENT", + "N-PERFLUOROOCTYL BROMIDE", + "PERFLUBRON", + "PERFLUOROCAPRYLYL BROMIDE", + "PERFLUOROCTYL BROMIDE", + "PERFLUOROOCTYLBROMIDE", + "PFOB" + ], + "smiles": "FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br", + "atc_code": "V08CX01" + }, + "CHEMBL1179047_approved": { + "title": "CHLOROPROCAINE", + "synonyms": [ + "2-CHLOROPROCAINE", + "CHLOROPROCAINE" + ], + "smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1Cl", + "atc_code": "N01BA04" + }, + "CHEMBL1201131_approved": { + "title": "PIPERONYL BUTOXIDE", + "synonyms": [ + "NSC-8401", + "PIPERONYL BUTOXIDE", + "PIPERONYL BUTOXIDE TECHNICAL" + ], + "smiles": "CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2", + "atc_code": null + }, + "CHEMBL1509_approved": { + "title": "DROSPIRENONE", + "synonyms": [ + "Angeliq", + "DROSPIRENONE", + "NSC-760103", + "SLYND", + "ZK 30595", + "ZK-30595" + ], + "smiles": "C[C@]12CCC(=O)C=C1[C@@H]1C[C@@H]1[C@H]1[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]12", + "atc_code": "G03AC10" + }, + "CHEMBL3545311_approved": { + "title": "BRIGATINIB", + "synonyms": [ + "AP-26113", + "AP26113", + "Alunbrig", + "BRIGATINIB", + "Brigatinib" + ], + "smiles": "COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1", + "atc_code": "L01ED04" + }, + "CHEMBL122_approved": { + "title": "ROFECOXIB", + "synonyms": [ + "M01AH02", + "MK-0966", + "MK-966", + "MK0966", + "NSC-720256", + "NSC-758705", + "ROFECOXIB", + "TRM-201", + "TRM201", + "VIOXX" + ], + "smiles": "CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1", + "atc_code": "M01AH02" + }, + "CHEMBL1094966_approved": { + "title": "PIRBUTEROL", + "synonyms": [ + "ARA-211", + "PIRBUTEROL", + "Pirbuterol" + ], + "smiles": "CC(C)(C)NCC(O)c1ccc(O)c(CO)n1", + "atc_code": "R03CC07 | R03AC08" + }, + "CHEMBL796_approved": { + "title": "METHYLPHENIDATE", + "synonyms": [ + "COTEMPLA XR-ODT", + "Concerta", + "DAYTRANA", + "METHYLPHENIDATE", + "METHYLPHENIDATE EXTENDED RELEASE", + "Methylin", + "PRC-063", + "THREO-DL-METHYLPHENIDATE" + ], + "smiles": "COC(=O)C(c1ccccc1)C1CCCCN1", + "atc_code": "N06BA04" + }, + "CHEMBL936_approved": { + "title": "DIPHENIDOL", + "synonyms": [ + "DIFENIDOL", + "DIFENIDOL HYDROCHLORIDE", + "DIPHENIDOL", + "Diphenidol", + "SK&F 478", + "SK&F-478", + "SK-478", + "VONTROL", + "Vontrol" + ], + "smiles": "OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1", + "atc_code": null + }, + "CHEMBL3301622_approved": { + "title": "GILTERITINIB", + "synonyms": [ + "ASP-2215", + "ASP2215", + "GILTERITINIB", + "Gilteritinib" + ], + "smiles": "CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1", + "atc_code": "L01EX13" + }, + "CHEMBL1238_approved": { + "title": "AZELAIC ACID", + "synonyms": [ + "ANCHOIC ACID", + "AZELAIC ACID", + "AZELATE", + "AZELEX", + "FINACEA", + "LEPARGYLIC ACID", + "NSC-19493", + "SKINOREN", + "ZK 62498", + "ZK-62498" + ], + "smiles": "O=C(O)CCCCCCCC(=O)O", + "atc_code": "D10AX03" + }, + "CHEMBL582_approved": { + "title": "ISOPROPYL ALCOHOL", + "synonyms": [ + "2-PROPANOL", + "2-PROPANOLUM", + "2-Propanol", + "ALCOHOL,ISOPROPYL", + "FEMA NO. 2929", + "IPA", + "ISOPROPANOL", + "ISOPROPYL ALCOHOL", + "Isopropanol", + "Isopropyl Alcohol", + "MANUGEL", + "MEDI-SWAB", + "MEDI-SWAB H", + "NSC-135801", + "STERETS", + "STERETS H", + "SWIM-EAR", + "ZURAGARD" + ], + "smiles": "CC(C)O", + "atc_code": "D08AX05" + }, + "CHEMBL3701238_approved": { + "title": "FUTIBATINIB", + "synonyms": [ + "FGFR-IN-1", + "FUTIBATINIB", + "LYTGOBI", + "TAS 120", + "TAS-120" + ], + "smiles": "C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1", + "atc_code": "L01EN04" + }, + "CHEMBL1201273_approved": { + "title": "PROTOKYLOL", + "synonyms": [ + "Asmeti", + "Caytine", + "PROTOKYLOL", + "Palisan", + "Protokylol", + "Ventaire" + ], + "smiles": "CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1", + "atc_code": null + }, + "CHEMBL1167_approved": { + "title": "SPECTINOMYCIN", + "synonyms": [ + "ACTINOSPECTACIN", + "ADSPEC", + "CHX-3101", + "PROSPEC", + "SPECTINOMYCIN", + "Spectinomycin", + "Trobicin" + ], + "smiles": "CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O", + "atc_code": "J01XX04" + }, + "CHEMBL1054_approved": { + "title": "TRICHLORMETHIAZIDE", + "synonyms": [ + "METAHYDRIN", + "NAQUA", + "NSC-61560", + "TRICHLOREX", + "TRICHLORMAS", + "TRICHLORMETHIAZIDE", + "TRICHLOROMETHIAZIDE", + "Trichlormethiazide" + ], + "smiles": "NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O", + "atc_code": "C03AA06" + }, + "CHEMBL1201786_approved": { + "title": "LAPYRIUM", + "synonyms": [ + "LAPYRIUM CATION", + "LAPYRIUM ION", + "Lapyrium" + ], + "smiles": "CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1", + "atc_code": null + }, + "CHEMBL5314588_approved": { + "title": "PERFLUOROHEXYLOCTANE", + "synonyms": [ + "F6H8", + "MIEBO", + "NOV-03", + "NOV03", + "PERFLUOROHEXYLOCTANE" + ], + "smiles": "CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F", + "atc_code": null + }, + "CHEMBL1201201_approved": { + "title": "METHAMPHETAMINE", + "synonyms": [ + "(S)-PHENYLMETHYLAMINOPROPANE", + "J6.362B", + "METAMFETAMINE", + "METHAMPHETAMINE", + "NSC-25115" + ], + "smiles": "CN[C@@H](C)Cc1ccccc1", + "atc_code": "N06BA03" + }, + "CHEMBL113178_approved": { + "title": "SELENOMETHIONINE", + "synonyms": [ + "NSC-760370", + "SELENOMETHIONINE" + ], + "smiles": "C[Se]CC[C@H](N)C(=O)O", + "atc_code": null + }, + "CHEMBL2040682_approved": { + "title": "CICLESONIDE", + "synonyms": [ + "ALVESCO", + "ALVESCO 160", + "ALVESCO 80", + "Aservo EquiHaler", + "BI54903", + "CICLESONIDE", + "OMNARIS", + "RPR-251526", + "RPR251526", + "ZETONNA" + ], + "smiles": "CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", + "atc_code": "R03BA08 | R01AD13" + }, + "CHEMBL4303525_approved": { + "title": "OMAVELOXOLONE", + "synonyms": [ + "OMAVELOXOLONE", + "RTA 408", + "RTA-408", + "SKYCLARYS" + ], + "smiles": "CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1", + "atc_code": null + }, + "CHEMBL525610_approved": { + "title": "TERIPARATIDE", + "synonyms": [ + "(1-34)-HUMAN PARATHYROID HORMONE", + "1-34-HUMAN PTH", + "BONSITY", + "FORSTEO", + "FORTEO", + "HUMAN PARATHYROID HORMONE 1-34", + "LY 333334", + "LY-333334", + "LY333334", + "PTH (1-34)", + "TERIPARATIDE", + "TERIPARATIDE RDNA", + "Teriparatide Sun", + "ZT-034" + ], + "smiles": "CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C", + "atc_code": "H05AA02" + }, + "CHEMBL922_approved": { + "title": "ADEFOVIR DIPIVOXIL", + "synonyms": [ + "ADEFOVIR DI(PIVALOYLOXYMETHYL) ESTER", + "ADEFOVIR DIPIVOXIL", + "ADEFOVIR PIVOXIL", + "Adefovir dipivoxil", + "GS-0840", + "Hepsera" + ], + "smiles": "CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C", + "atc_code": "J05AF08" + }, + "CHEMBL53_approved": { + "title": "APOMORPHINE", + "synonyms": [ + "6A.BETA.-APORPHINE-10,11-DIOL", + "APL-130277", + "APOMORPHINE", + "APOMORPHINUM", + "Apomorphine", + "VR-040", + "VR040" + ], + "smiles": "CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3", + "atc_code": "N04BC07 | G04BE07" + }, + "CHEMBL290916_approved": { + "title": "EDARAVONE", + "synonyms": [ + "ANTIPYRINE RELATED COMPOUND A", + "C.I. DEVELOPER 1", + "COLOREX PMP", + "DEVELOPER Z", + "EDARAVONE", + "JAROCOL PMP", + "MCI-186", + "NORPHENAZONE", + "NSC-12", + "NSC-26139", + "NSC-2629", + "PHENYL METHYL PYRAZOLONE", + "RADICAVA", + "RADICAVA ORS", + "Radicut" + ], + "smiles": "CC1=NN(c2ccccc2)C(=O)C1", + "atc_code": "N07XX14" + }, + "CHEMBL1200747_approved": { + "title": "AMMONIUM LACTATE", + "synonyms": [ + "AMMONIUM LACTATE", + "BMS-186091", + "E328", + "LAC HYDRIN", + "LAC-HYDRIN", + "NSC-760427" + ], + "smiles": "CC(O)C(=O)O.N", + "atc_code": null + }, + "CHEMBL3039598_approved": { + "title": "FOSINOPRIL", + "synonyms": [ + "C09AA09", + "FOSENOPRIL", + "FOSINOPRIL", + "Monopril", + "SQ-28555" + ], + "smiles": "CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C", + "atc_code": "C09AA09" + }, + "CHEMBL1363_approved": { + "title": "ARFORMOTEROL", + "synonyms": [ + "(-)-FORMOTEROL", + "(R,R)-FORMOTEROL", + "ARFORMOTEROL", + "FORMOTEROL R,R-FORM" + ], + "smiles": "COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1", + "atc_code": null + }, + "CHEMBL1237122_approved": { + "title": "CARBOPROST", + "synonyms": [ + "(15S)-15-METHYL-PGF2.ALPHA.", + "15-METHYL-PGF2.ALPHA.", + "15-METHYLPROSTAGLANDIN F2.ALPHA.", + "CARBOPROST", + "HEMABATE", + "U-32,921", + "U-32921" + ], + "smiles": "CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C\\CCCC(=O)O)[C@@H](O)C[C@H]1O", + "atc_code": "G02AD04" + }, + "CHEMBL1873475_approved": { + "title": "IBRUTINIB", + "synonyms": [ + "CRA-032765", + "IBRUTINIB", + "Imbruvica", + "PC-32765", + "PCI 32765", + "PCI-32765", + "PCI-32765-00" + ], + "smiles": "C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1", + "atc_code": "L01EL01" + }, + "CHEMBL2107186_approved": { + "title": "RESOCORTOL BUTYRATE", + "synonyms": [ + "ALO 2184", + "ALO-2184", + "ORG7417", + "PRUBAN", + "Pruban", + "RESOCORTOL", + "RESOCORTOL BUTYRATE" + ], + "smiles": "CCCC(=O)O[C@]1(C(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": null + }, + "CHEMBL91397_approved": { + "title": "RUPATADINE", + "synonyms": [ + "RUPATADINE", + "UR-12592" + ], + "smiles": "Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1", + "atc_code": "R06AX28" + }, + "CHEMBL1200680_approved": { + "title": "SELENIUM SULFIDE", + "synonyms": [ + "EXSEL", + "LENIUM", + "SELEDRUFF", + "SELENII DISULFIDUM", + "SELENIUM DISULFIDE", + "SELENIUM SULFIDE", + "SELENIUM SULFIDE (SES(SUB 2))", + "SELENIUM SULFIDE, MICRONIZED", + "SELENIUM SULPHIDE (SES2)", + "SELENIUM SULPHIDE, MICRONIZED", + "SELSUN", + "Selenium sulfide" + ], + "smiles": "S=[Se]=S", + "atc_code": "D01AE13" + }, + "CHEMBL43452_approved": { + "title": "POMALIDOMIDE", + "synonyms": [ + "ACTIMID", + "CC-4047", + "IMID 3", + "IMID-3", + "IMNOVID", + "Imnovid (previously Pomalidomide Celgene)", + "POMALIDOMIDE", + "POMALYST" + ], + "smiles": "Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O", + "atc_code": "L04AX06" + }, + "CHEMBL1213252_approved": { + "title": "CLORAZEPIC ACID", + "synonyms": [ + "4306-CB FREE ACID", + "ABBOTT-35616 FREE ACID", + "CHLORAZEPATE", + "CLORAZEPATE", + "CLORAZEPIC ACID" + ], + "smiles": "O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O", + "atc_code": null + }, + "CHEMBL2106309_approved": { + "title": "HYDROCORTISONE ACEPONATE", + "synonyms": [ + "CORTAVANCE", + "EFFICORT", + "HYDROCORTISONE ACEPONATE", + "Hydrocortisone aceponate Ecuphar (previously Cortacare)" + ], + "smiles": "CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "D07AC16" + }, + "CHEMBL622_approved": { + "title": "ETODOLAC", + "synonyms": [ + "(RS)-ETODOLIC ACID", + "AY-24,236", + "AY-24-236", + "AY-24236", + "EBRETIN", + "ECCOXOLAC", + "EDOLAN", + "ETODOLAC", + "ETODOLIC ACID", + "ETOLYN", + "ETOPAN XL", + "FLANCOX", + "LODIN XL", + "LODINE", + "LODINE SR", + "LODINE XL", + "NAPILAC", + "NIH-9918", + "NSC-282126", + "RAMODAR", + "TEDOLAN", + "ULTRADOL", + "ZEDOLAC" + ], + "smiles": "CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3", + "atc_code": "M01AB08" + }, + "CHEMBL1286_approved": { + "title": "LEVETIRACETAM", + "synonyms": [ + "AGB-101", + "DESITREND", + "ELEPSIA", + "ELEPSIA XR", + "KEPPRA", + "KEPPRA XR", + "LEVETIRACETAM", + "LEVETIRACETAM ACCORD", + "LEVETIRACETAM ACTAVIS", + "LEVETIRACETAM HOSPIRA", + "LEVETIRACETAM IN SODIUM CHLORIDE", + "LEVETIRACETAM SUN", + "LEVETIRACETAM TEVA", + "LEVETIRACETAME", + "Levetiracetam Teva", + "MATEVER", + "N03AX14", + "NSC-760119", + "SPRITAM", + "UCB 22059", + "UCB L059", + "UCB-22059", + "UCB-L059" + ], + "smiles": "CC[C@@H](C(N)=O)N1CCCC1=O", + "atc_code": "N03AX14" + }, + "CHEMBL1200649_approved": { + "title": "QUINUPRISTIN", + "synonyms": [ + "QUINUPRISTIN", + "RP 57669", + "RP-57669" + ], + "smiles": "CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O", + "atc_code": null + }, + "CHEMBL118_approved": { + "title": "CELECOXIB", + "synonyms": [ + "CELEBREX", + "CELECOXIB", + "Celebra", + "DFN-15", + "DFN15", + "ELYXYB", + "NSC-719627", + "NSC-758624", + "Onsenal", + "SC-58635" + ], + "smiles": "Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1", + "atc_code": "M01AH01 | L01XX33" + }, + "CHEMBL1520_approved": { + "title": "VARDENAFIL", + "synonyms": [ + "BAY-389456", + "BAY38-9456", + "LEVITRA", + "VARDENAFIL", + "VIVANZA", + "Vardenafil" + ], + "smiles": "CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12", + "atc_code": "G04BE09" + }, + "CHEMBL1201752_approved": { + "title": "IXABEPILONE", + "synonyms": [ + "AZAEPOTHILONE B", + "BMS 247550-01", + "BMS-247550", + "BMS-247550-01", + "IXABEPILONE", + "IXEMPRA", + "IXEMPRA KIT", + "Ixempra", + "NSC-747973" + ], + "smiles": "C/C(=C\\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1", + "atc_code": "L01DC04" + }, + "CHEMBL1201195_approved": { + "title": "CEFMETAZOLE", + "synonyms": [ + "CEFMETAZOLE", + "U-72791" + ], + "smiles": "CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21", + "atc_code": "J01DC09" + }, + "CHEMBL1201323_approved": { + "title": "BETAZOLE", + "synonyms": [ + "BETAZOLE", + "Betazole" + ], + "smiles": "NCCc1cc[nH]n1", + "atc_code": "V04CG02" + }, + "CHEMBL135_approved": { + "title": "ESTRADIOL", + "synonyms": [ + "17-.BETA.-OESTRADIOL", + "17-BETA-OESTRADIOL", + "17.BETA.-ESTRADIOL", + "17BETA-ESTRADIOL", + "ADGYN ESTRO", + "AGOFOLLIN", + "ALORA", + "Alfatradiol", + "Aquagen", + "BEDOL", + "CLIMARA", + "Climara Pro", + "DERMESTRIL 100", + "DERMESTRIL 25", + "DERMESTRIL 50", + "DERMESTRIL SEPTEM 25", + "DERMESTRIL SEPTEM 50", + "DERMESTRIL SEPTEM 75", + "DESTRADIOL", + "DIHYDROTHEELIN", + "DIHYDROXYESTRIN", + "DIVIGEL", + "Depo-Estradiol", + "E-Cypionate", + "ELESTRIN", + "ELLESTE SOLO", + "ELLESTE SOLO MX 40", + "ELLESTE SOLO MX 80", + "ESCLIM", + "ESTRACE", + "ESTRADERM", + "ESTRADERM MX 100", + "ESTRADERM MX 25", + "ESTRADERM MX 50", + "ESTRADERM MX 75", + "ESTRADERM TTS 100", + "ESTRADERM TTS 25", + "ESTRADERM TTS 50", + "ESTRADIOL", + "ESTRADIOL 17-BETA", + "ESTRADIOL ANHYDROUS", + "ESTRADIOL VALERATE METABOLITE E2", + "ESTRASORB", + "ESTRING", + "ESTROGEL", + "EVAMIST", + "EVOREL 100", + "EVOREL 25", + "EVOREL 50", + "EVOREL 75", + "Estradiol", + "Estradiol hemihydrate", + "Estrasorb", + "FEMATRIX 40", + "FEMATRIX 80", + "FEMPATCH", + "FEMSEVEN 100", + "FEMSEVEN 50", + "FEMSEVEN 75", + "GYNERGON", + "GYNODIOL", + "GYNOESTRYL", + "Gynogen", + "IMVEXXY", + "INNOFEM", + "MENOREST 37.5", + "MENOREST 50", + "MENOREST 75", + "MENORING 50", + "MENOSTAR", + "MINIVELLE", + "NSC-20293", + "NSC-9895", + "OESTRADIOL", + "Oestradiol", + "PROGYNOVA TS", + "SANDRENA", + "VAGIFEM", + "VIVELLE", + "VIVELLE-DOT", + "Vagifem 18", + "Vagifem 8", + "WC-3011", + "WC3011", + "ZUMENON" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O", + "atc_code": "G03CA03" + }, + "CHEMBL1201302_approved": { + "title": "DEXAMETHASONE PHOSPHORIC ACID", + "synonyms": [ + "DEXAMETHASONE PHOSPHORIC ACID", + "Dexamethasone phosphate" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O", + "atc_code": null + }, + "CHEMBL1571_approved": { + "title": "TESTOLACTONE", + "synonyms": [ + "FLUDESTRIN", + "NSC-23759", + "SQ 9538", + "SQ-9538", + "TEOLIT", + "TESLAC", + "TESTOLACTONE", + "TESTOLACTONE CIII" + ], + "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)OC(=O)CC[C@@H]12", + "atc_code": null + }, + "CHEMBL247951_approved": { + "title": "PEMAFIBRATE", + "synonyms": [ + "(R)-K-13675", + "K-13675, (R)-", + "PEMAFIBRATE" + ], + "smiles": "CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O", + "atc_code": null + }, + "CHEMBL4298138_approved": { + "title": "REPOTRECTINIB", + "synonyms": [ + "Augtyro", + "REPOTRECTINIB", + "TPX-0005", + "TRX-0005" + ], + "smiles": "C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1", + "atc_code": null + }, + "CHEMBL1175_approved": { + "title": "DULOXETINE", + "synonyms": [ + "Cymbalta", + "DULOXETINE", + "Duloxetine", + "LY-248686", + "LY248686" + ], + "smiles": "CNCC[C@H](Oc1cccc2ccccc12)c1cccs1", + "atc_code": "N06AX21" + }, + "CHEMBL99946_approved": { + "title": "LEVOMILNACIPRAN", + "synonyms": [ + "(1S,2R)-MILNACIPRAN", + "F 2695", + "F-2695", + "F2695", + "FETZIMA", + "LEVOMILNACIPRAN", + "MILNACIPRAN, (1S,2R)-" + ], + "smiles": "CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN", + "atc_code": "N06AX28" + }, + "CHEMBL343448_approved": { + "title": "ROMIDEPSIN", + "synonyms": [ + "DEPSIPEPTIDE", + "FK-228", + "FK228", + "FR-901228", + "FR901228", + "ISTODAX", + "NSC-630176", + "ROMIDEPSIN" + ], + "smiles": "C/C=C1\\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O", + "atc_code": "L01XH02" + }, + "CHEMBL4802135_approved": { + "title": "NIRMATRELVIR", + "synonyms": [ + "NIRMATRELVIR", + "PF-07321332", + "PF07321332" + ], + "smiles": "CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C", + "atc_code": null + }, + "CHEMBL1773_approved": { + "title": "CAPECITABINE", + "synonyms": [ + "CAPECITABINE", + "CAPECITABINE ACCORD", + "CAPECITABINE MEDAC", + "CAPECITABINE SUN", + "CAPECITABINE TEVA", + "CAPECITIBINE", + "CAPECYTABINE", + "CAPIIBINE", + "CAPTABIN", + "ECANSYA", + "NSC-759853", + "RO 09-1978/000", + "RO-09-1978000", + "RO-091978000", + "Xeloda" + ], + "smiles": "CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F", + "atc_code": "L01BC06" + }, + "CHEMBL2110557_approved": { + "title": "RUBIDIUM CHLORIDE", + "synonyms": null, + "smiles": "[Cl-].[Rb+]", + "atc_code": null + }, + "CHEMBL672_approved": { + "title": "FENOFIBRATE", + "synonyms": [ + "ANTARA (MICRONIZED)", + "FENOFIBRATE", + "FENOFIBRATE (MICRONIZED)", + "FENOFIBRATE DELAYED RELEASE", + "FENOFIBRATE MICRONIZED", + "FENOGAL", + "FENOGLIDE", + "LIPANTIL", + "LIPANTIL MICRO 200", + "LIPANTIL MICRO 267", + "LIPANTIL MICRO 67", + "LIPIDIL", + "LIPOFEN", + "NSC-281319", + "SUPRALIP 160", + "TRICOR", + "TRICOR (MICRONIZED)", + "TRIGLIDE" + ], + "smiles": "CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1", + "atc_code": "C10AB05" + }, + "CHEMBL597_approved": { + "title": "PHENTOLAMINE", + "synonyms": [ + "PHENTOLAMIN", + "PHENTOLAMINE", + "Phentolamine" + ], + "smiles": "Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1", + "atc_code": "C04AB01 | V03AB36" + }, + "CHEMBL3402762_approved": { + "title": "TEPOTINIB", + "synonyms": [ + "EMD 1214063", + "EMD-1214063", + "EMD1214063", + "MSC-2156119", + "MSC-2156119J", + "MSC2156119", + "TEPOTINIB", + "Tepotinib" + ], + "smiles": "CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1", + "atc_code": "L01EX21" + }, + "CHEMBL1200862_approved": { + "title": "METYROSINE", + "synonyms": [ + "DEMSER", + "L-588357-0", + "METIROSINE", + "METYROSINE", + "MK-781", + "RACEMETIROSINE, (S)-" + ], + "smiles": "C[C@](N)(Cc1ccc(O)cc1)C(=O)O", + "atc_code": "C02KB01" + }, + "CHEMBL1467_approved": { + "title": "ALLOPURINOL", + "synonyms": [ + "ALLOPURINOL", + "ALLOPURINOLUM", + "ALORAL", + "ALULINE 100", + "ALULINE 300", + "BW 56-158", + "BW-56-158", + "CAPLENAL", + "COSURIC", + "HAMARIN 100", + "HAMARIN 300", + "LEDOPUR", + "LOPURIN", + "NSC-101655", + "NSC-1390", + "SUSPENDOL", + "TAKANARUMIN", + "URICTO", + "XANTHOMAX-100", + "XANTHOMAX-300", + "ZYLOPRIM", + "ZYLORIC", + "ZYLORIC-300" + ], + "smiles": "Oc1ncnc2[nH]ncc12", + "atc_code": "M04AA01 | M04AA51" + }, + "CHEMBL1518_approved": { + "title": "PROPYLTHIOURACIL", + "synonyms": [ + "NSC-6498", + "NSC-70461", + "PROPYLTHIOURACIL", + "Propacil", + "Propylthiouracil", + "Prothyran", + "THYREOSTAT II", + "Thyreostat" + ], + "smiles": "CCCc1cc(=O)[nH]c(=S)[nH]1", + "atc_code": "H03BA02" + }, + "CHEMBL723_approved": { + "title": "CARVEDILOL", + "synonyms": [ + "BM 14.190", + "BM-14-190", + "BM-14.190", + "BM-14190", + "C07AG02", + "CARVEDILOL", + "COREG", + "CORONIS", + "Coreg CR", + "DILATREND", + "DIMITONE", + "DQ-2466", + "EUCARDIC", + "EUCARDIC 12.5", + "EUCARDIC 25", + "EUCARDIC 3.125", + "EUCARDIC 6.25", + "KORVASAN", + "KREDEX", + "NSC-758694", + "SKF-105517", + "TALLITON" + ], + "smiles": "COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12", + "atc_code": "C07AG02" + }, + "CHEMBL631_approved": { + "title": "PROPAFENONE", + "synonyms": [ + "GNF-Pf-4594", + "PROPAFENON HEXAL", + "PROPAFENONE", + "Propafenone", + "Rythmol" + ], + "smiles": "CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1", + "atc_code": "C01BC03" + }, + "CHEMBL1185_approved": { + "title": "ZOLMITRIPTAN", + "synonyms": [ + "311-C-90", + "311C90", + "CVT-427", + "NSC-760383", + "ZOLMITRIPTAN", + "ZOMIG", + "ZOMIG-ZMT" + ], + "smiles": "CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12", + "atc_code": "N02CC03" + }, + "CHEMBL2111101_approved": { + "title": "PIMAVANSERIN", + "synonyms": [ + "PIMAVANSERIN" + ], + "smiles": "CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1", + "atc_code": "N05AX17" + }, + "CHEMBL5314550_approved": { + "title": "TULATHROMYCIN", + "synonyms": [ + "CP-472,295", + "CP-472295", + "CP-547,272", + "DRAXXIN", + "TULATHROMYCIN", + "TULATHROMYCIN A", + "Tulinovet" + ], + "smiles": "CCCNC[C@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC.CCCNC[C@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@H]([C@](C)(O)[C@H](O)CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC", + "atc_code": null + }, + "CHEMBL2105717_approved": { + "title": "CABOZANTINIB", + "synonyms": [ + "BMS-907351", + "BMS-907351 FREE BASE", + "CABOMETYX", + "CABOZANTINIB", + "COMETRIQ", + "XL-184", + "XL-184 FREE BASE", + "XL184" + ], + "smiles": "COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC", + "atc_code": "L01EX07" + }, + "CHEMBL3936761_approved": { + "title": "ZANUBRUTINIB", + "synonyms": [ + "BGB-3111", + "Brukinsa", + "ZANUBRUTINIB" + ], + "smiles": "C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1", + "atc_code": "L01EL03" + }, + "CHEMBL1237123_approved": { + "title": "DOXACURIUM", + "synonyms": [ + "DOXACURIUM CATION", + "DOXACURIUM ION" + ], + "smiles": "COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC", + "atc_code": null + }, + "CHEMBL1201151_approved": { + "title": "MESTRANOL", + "synonyms": [ + "33355", + "EE-3ME", + "EE3 ME", + "EE3-ME", + "EE3ME", + "EEI3ME", + "MESTRANOL", + "NSC-84032" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C", + "atc_code": null + }, + "CHEMBL782_approved": { + "title": "TOLBUTAMIDE", + "synonyms": [ + "1-BUTYL-3-(P-TOLYLSULFONYL)UREA", + "ARKOZAL", + "BUTAMIDE", + "DIABETAMID", + "GLYCONON", + "IPOGLICONE", + "NSC-23813", + "NSC-87833", + "ORINASE", + "PRAMIDEX", + "RASTINON", + "TOLBUTAMIDE", + "TOLBUTAMIDUM", + "Tolbutamide", + "WILLBUTAMIDE" + ], + "smiles": "CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1", + "atc_code": "V04CA01 | A10BB03" + }, + "CHEMBL1070_approved": { + "title": "NABUMETONE", + "synonyms": [ + "BRL 14777", + "BRL-14777", + "NABUMETONE", + "NSC-758623", + "RELAFEN", + "RELIFEX" + ], + "smiles": "COc1ccc2cc(CCC(C)=O)ccc2c1", + "atc_code": "M01AX01" + }, + "CHEMBL1200774_approved": { + "title": "FLUPREDNISOLONE", + "synonyms": [ + "ALPHADROL", + "FLUPREDNISOLONE", + "NSC-47439", + "U-7800" + ], + "smiles": "C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO", + "atc_code": null + }, + "CHEMBL3353410_approved": { + "title": "OSIMERTINIB", + "synonyms": [ + "AZD-9291", + "AZD-9291 FREE BASE", + "AZD9291", + "MERELETINIB", + "OSIMERTINIB", + "TAGRISSO" + ], + "smiles": "C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C", + "atc_code": "L01EB04" + }, + "CHEMBL697_approved": { + "title": "METHSUXIMIDE", + "synonyms": [ + "CELONTIN", + "MESUXIMIDE", + "METHSUXIMIDE", + "Methsuximide", + "NSC-760075" + ], + "smiles": "CN1C(=O)CC(C)(c2ccccc2)C1=O", + "atc_code": "N03AD03" + }, + "CHEMBL2021423_approved": { + "title": "MAGNESIUM SULFATE ANHYDROUS", + "synonyms": [ + "MAGNESIUM SULFATE", + "MAGNESIUM SULFATE ANHYDROUS", + "MAGNESIUM SULFATE, ANHYDROUS", + "MAGNESIUM SULFATE,ANHYDROUS", + "MAGNESIUM SULPHATE ANHYDROUS", + "MAGNESIUM SULPHATE, ANHYDROUS", + "MGSO4", + "Magnesium sulfate anhydrous" + ], + "smiles": "O=S(=O)([O-])[O-].[Mg+2]", + "atc_code": null + }, + "CHEMBL1349_approved": { + "title": "VALACYCLOVIR", + "synonyms": [ + "VALACICLOVIR", + "VALACV", + "VALACYCLOVIR", + "VALTREX", + "Valacyclovir", + "ZELITREX" + ], + "smiles": "CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21", + "atc_code": "J05AB11" + }, + "CHEMBL16_approved": { + "title": "PHENYTOIN", + "synonyms": [ + "DILANTIN", + "DILANTIN-125", + "DILANTIN-30", + "DIPHENYLHYDANTOIN", + "Dilabid", + "Diphenylhydantoin", + "EPAMIN", + "Hydantol", + "LEPITOIN", + "NSC-8722", + "PHENYTOIN", + "PHENYTOINUM", + "Phentytoin", + "Phenytek", + "Phenytex", + "SM-88 COMPONENT PHENYTOIN", + "ZENTROPIL" + ], + "smiles": "O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1", + "atc_code": "N03AB02 | N03AB52" + }, + "CHEMBL1727_approved": { + "title": "CEPHALEXIN ANHYDROUS", + "synonyms": [ + "ALSPORIN", + "ANHYDROUS CEPHALEXIN", + "CARNOSPORIN", + "CEFADROS", + "CEFALEKSIN", + "CEFALEXIN", + "CEFALEXIN ANHYDROUS", + "CEPHAMASTEN", + "DURANTEL", + "EFALEXIN", + "FELEXIN", + "GARASIN", + "IWALEXIN", + "KEFLORIDINA", + "Keflet", + "Keflex", + "Keftab", + "LILLY-66873", + "MAMALEXIN", + "NSC-758162", + "ORACOCIN", + "PYASSAN", + "S-6437", + "SINTHECILLIN", + "TAICELEXIN", + "UPHALEXIN" + ], + "smiles": "CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1", + "atc_code": null + }, + "CHEMBL1103_approved": { + "title": "FURAZOLIDONE", + "synonyms": [ + "FURAZOLIDONE", + "FUROXONE", + "Furall", + "Furazolidone", + "NIFURAZOLIDONE", + "NSC-6469" + ], + "smiles": "O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1", + "atc_code": "G01AX06" + }, + "CHEMBL1200412_approved": { + "title": "NANDROLONE PHENPROPIONATE", + "synonyms": [ + "DURABOLIN", + "NANDROLONE PHENPROPIONATE", + "NANDROLONE PHENYLPROPIONATE", + "NORANDROSTENOLONE PHENYLPROPIONATE", + "NORTESTOSTERONE FURANPROPIONATE", + "NORTESTOSTERONE PHENYLPROPIONATE" + ], + "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1", + "atc_code": null + }, + "CHEMBL495_approved": { + "title": "ALPROSTADIL", + "synonyms": [ + "ALPROSTADIL", + "CAVERJECT", + "CAVERJECT IMPULSE", + "EDEX", + "NSC-165559", + "ONO-1608", + "PGE1", + "PROSTAGLANDIN E1", + "PROSTIN VR", + "PROSTIN VR PEDIATRIC", + "U-10,136", + "U-10136", + "VIRIDAL 10", + "VIRIDAL 20", + "VIRIDAL 5", + "VIRIDAL DUO", + "VITAROS" + ], + "smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O", + "atc_code": "G04BE01 | C01EA01" + }, + "CHEMBL231779_approved": { + "title": "APIXABAN", + "synonyms": [ + "APIXABAN", + "BMS-562247", + "BMS-562247-01", + "Eliquis" + ], + "smiles": "COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1", + "atc_code": "B01AF02" + }, + "CHEMBL1599_approved": { + "title": "CEPHAPIRIN", + "synonyms": [ + "CEFAPIRIN", + "Cephapirin" + ], + "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1", + "atc_code": "J01DB08" + }, + "CHEMBL591_approved": { + "title": "ETHCHLORVYNOL", + "synonyms": [ + "ALVINOL", + "ARVYNOL", + "ETHCHLORVYNOL", + "ETHCHLORVYNOL CIV", + "Ethchlorvynol", + "NORMOSON", + "NOSTEL", + "NSC-30372", + "PLACIDYL", + "ROERIDORM", + "SERENESIL", + "SERENSIL" + ], + "smiles": "C#CC(O)(/C=C/Cl)CC", + "atc_code": "N05CM08" + }, + "CHEMBL1279_approved": { + "title": "FROVATRIPTAN", + "synonyms": [ + "ALLERGO FILMTABLETTEN", + "FROVATRIPTAN", + "Frova", + "Frovatriptan", + "MIGARD", + "MYLATRIP" + ], + "smiles": "CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1", + "atc_code": "N02CC07" + }, + "CHEMBL1201197_approved": { + "title": "ALATROFLOXACIN", + "synonyms": [ + "ALATROFLOXACIN", + "Alatrofloxacin" + ], + "smiles": "C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21", + "atc_code": null + }, + "CHEMBL11662_approved": { + "title": "OZAGREL", + "synonyms": [ + "KCT-0809", + "OZAGREL", + "OZAGREL SODIUM" + ], + "smiles": "O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1", + "atc_code": null + }, + "CHEMBL656_approved": { + "title": "OXYCODONE", + "synonyms": [ + "(-)-14-HYDROXYDIHYDROCODEINONE", + "14-HYDROXYDIHYDROCODEINONE", + "DIHYDRONE", + "IDS-NO-002", + "N02AA05", + "NSC-19043", + "OXICONE", + "OXYCODONE", + "OXYCODONE CII", + "OXYMORPHONE 3-METHYL ETHER", + "Oxycodone", + "PAVINAL", + "PF-00345439", + "PROLADONE", + "PTI 821", + "PTI-821", + "REMOXY", + "XTAMPZA", + "XTAMPZA ER" + ], + "smiles": "COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314", + "atc_code": "N02AA05" + }, + "CHEMBL12713_approved": { + "title": "SERTINDOLE", + "synonyms": [ + "LU 23-174", + "LU-23-174", + "SERDOLECT", + "SERTINDOLE", + "ZERDOL" + ], + "smiles": "O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1", + "atc_code": "N05AE03" + }, + "CHEMBL360328_approved": { + "title": "LORCASERIN", + "synonyms": [ + "LORCASERIN" + ], + "smiles": "C[C@H]1CNCCc2ccc(Cl)cc21", + "atc_code": "A08AA11" + }, + "CHEMBL91_approved": { + "title": "MICONAZOLE", + "synonyms": [ + "Conofite", + "DUMICOAT", + "Dermazole", + "LORAMYC", + "MICONAZOLE", + "MONISTAT", + "Micatin", + "Miconazole", + "Monistat-3", + "Monistat-Derm", + "NSC-170986", + "ORAVIG", + "Vusion" + ], + "smiles": "Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1", + "atc_code": "G01AF04 | S02AA13 | J02AB01 | A01AB09 | D01AC52 | A07AC01 | D01AC02" + }, + "CHEMBL1251_approved": { + "title": "GANIRELIX", + "synonyms": [ + "Ganirelix acetate injection" + ], + "smiles": "CC/N=C(\\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O", + "atc_code": null + }, + "CHEMBL1650443_approved": { + "title": "TRELAGLIPTIN", + "synonyms": [ + "SYR-472", + "TRELAGLIPTIN" + ], + "smiles": "Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O", + "atc_code": null + }, + "CHEMBL1200706_approved": { + "title": "ALUMINUM HYDROXIDE", + "synonyms": [ + "ALU-CAP", + "ALUDROX", + "ALUMINIUM HYDROXIDE", + "ALUMINIUM HYDROXIDE GEL, DRIED", + "ALUMINUM HYDROXIDE", + "DRIED ALUMINUM HYDROXIDE GEL", + "NSC-664400", + "SARPEP" + ], + "smiles": "O[Al](O)O", + "atc_code": "A02AB01" + }, + "CHEMBL1605_approved": { + "title": "CEFTIBUTEN", + "synonyms": [ + "7432-S", + "ACHN-383", + "ACHN383", + "CEDAX", + "CEFTIBUTEN", + "CEFTIBUTEN HYDRATE", + "CEFTIBUTIN", + "Ceftibuten", + "Ceftibuten dihydrate", + "NSC-758925", + "SCH 39720", + "SCH-39720", + "Seftem" + ], + "smiles": "Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1", + "atc_code": "J01DD14" + }, + "CHEMBL223228_approved": { + "title": "EFAVIRENZ", + "synonyms": [ + "(-)-EFAVIRENZ", + "DMP-266", + "EFAVIRENZ", + "EFAVIRENZ TEVA", + "EFAVIRENZUM", + "Efavirenz", + "L-743726", + "NSC-742403", + "STOCRIN", + "SUSTIVA 600", + "Sustiva", + "VIRADAY" + ], + "smiles": "O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1", + "atc_code": "J05AG03" + }, + "CHEMBL1200645_approved": { + "title": "ETOPOSIDE PHOSPHATE", + "synonyms": [ + "BMY 40481", + "BMY-40481", + "ETOPOPHOS PRESERVATIVE FREE", + "ETOPOSIDE PHOSPHATE", + "Etopophos", + "VEPESIDE", + "VP-16", + "VP16" + ], + "smiles": "COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O", + "atc_code": null + }, + "CHEMBL549_approved": { + "title": "CITALOPRAM", + "synonyms": [ + "CITADUR", + "CITALOPRAM", + "Celexa", + "Citalopram" + ], + "smiles": "CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21", + "atc_code": "N06AB04" + }, + "CHEMBL314854_approved": { + "title": "FINGOLIMOD", + "synonyms": [ + "FINGOLIMOD", + "FTY-720", + "Fingolimod", + "GILENYA" + ], + "smiles": "CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1", + "atc_code": "L04AA27" + }, + "CHEMBL84_approved": { + "title": "TOPOTECAN", + "synonyms": [ + "FF-10850 (LIPOSOMAL TOPOTECAN)", + "HYCAMPTIN", + "Hycamtin", + "NSC-609699", + "NSC-641007", + "SKF-104864", + "TOPOTECAN", + "Topotecan" + ], + "smiles": "CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1", + "atc_code": "L01CE01" + }, + "CHEMBL2218896_approved": { + "title": "NABILONE", + "synonyms": [ + "CESAMET", + "CPD 109514", + "CPD-109514", + "NABILONE" + ], + "smiles": "CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21", + "atc_code": "A04AD11" + }, + "CHEMBL1200799_approved": { + "title": "TRAVOPROST", + "synonyms": [ + "AL-6221", + "IZBA", + "NSC-760366", + "OTX-TP", + "TRAVATAN Z", + "TRAVOPROST", + "Travatan" + ], + "smiles": "CC(C)OC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O", + "atc_code": "S01EE04" + }, + "CHEMBL844_approved": { + "title": "BRIMONIDINE", + "synonyms": [ + "AGN-190342 FREE BASE", + "BRIMONIDINE", + "Brimonidine", + "NSC-318825", + "UK-14304", + "UK-1430418 FREE BASE" + ], + "smiles": "Brc1c(NC2=NCCN2)ccc2nccnc12", + "atc_code": "S01GA07 | S01EA05 | D11AX21" + }, + "CHEMBL856_approved": { + "title": "PRIMIDONE", + "synonyms": [ + "LEPIMIDIN", + "LISKANTIN", + "Lepsiral", + "MYSOLINE", + "NSC-41701", + "Neurosyn", + "PRIMACLONE", + "PRIMIDONE", + "Primidone", + "RESIMATIL" + ], + "smiles": "CCC1(c2ccccc2)C(=O)NCNC1=O", + "atc_code": "N03AA03" + }, + "CHEMBL709_approved": { + "title": "ALFUZOSIN", + "synonyms": [ + "ALFUZOSIN", + "Alfuzosin", + "NSC-760065", + "Uroxatral" + ], + "smiles": "COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC", + "atc_code": "G04CA01" + }, + "CHEMBL3137309_approved": { + "title": "VENETOCLAX", + "synonyms": [ + "ABT-199", + "GDC-0199", + "RG-7601", + "RG7601", + "VENCLEXTA", + "VENETOCLAX", + "Venclyxto" + ], + "smiles": "CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1", + "atc_code": "L01XX52" + }, + "CHEMBL222559_approved": { + "title": "TIPRANAVIR", + "synonyms": [ + "Aptivus", + "TIPRANAVIR", + "Tipranavir", + "U-140690" + ], + "smiles": "CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1", + "atc_code": "J05AE09" + }, + "CHEMBL4297067_approved": { + "title": "FLUORESCEIN", + "synonyms": [ + "ACID YELLOW 73", + "CI 45350:1", + "FLUORESCEIN", + "KI201", + "NSC-667256", + "NSC-759114", + "YELLOW 7" + ], + "smiles": "O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21", + "atc_code": "S01JA01 | S01JA51" + }, + "CHEMBL374478_approved": { + "title": "RIFAMPIN", + "synonyms": [ + "ABRIFAM", + "BA 411661E", + "BA-41166E", + "EREMFAT", + "L-5103", + "L-5103 LEPETIT", + "L-5103-LEPETIT", + "NIH-10782", + "NSC-113926", + "RIFADIN", + "RIFADINE", + "RIFALDAZINE", + "RIFALDIN", + "RIFAMPICIN", + "RIFAMPICINUM", + "RIFAMPIN", + "RIFAMYCIN AMP", + "RIFAPIAM", + "RIFAPRODIN", + "RIFOLDIN", + "RIMACTAN", + "RIMACTANE", + "Rifampicin" + ], + "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", + "atc_code": "J04AB02" + }, + "CHEMBL1388_approved": { + "title": "MONOBENZONE", + "synonyms": [ + "BENOQUIN", + "MONOBENZONE", + "MONOBENZYL ETHER OF HYDROQUINONE", + "Monobenzone", + "NSC-2132", + "P-(BENZYLOXY)PHENOL", + "P-BENZYLOXYPHENOL" + ], + "smiles": "Oc1ccc(OCc2ccccc2)cc1", + "atc_code": "D11AX13" + }, + "CHEMBL1193_approved": { + "title": "PHENIRAMINE", + "synonyms": [ + "NSC-47965", + "PHENIRAMINE", + "PROPHENIRAMINE", + "PROPHENPYRIDAMINE", + "PYRITON", + "Pheniramine", + "TRIPOTON" + ], + "smiles": "CN(C)CCC(c1ccccc1)c1ccccn1", + "atc_code": "D04AA16 | R06AB05" + }, + "CHEMBL443052_approved": { + "title": "TAVABOROLE", + "synonyms": [ + "AN-2690", + "AN2690", + "KERYDIN", + "TAVABOROLE" + ], + "smiles": "OB1OCc2cc(F)ccc21", + "atc_code": "D01AE24" + }, + "CHEMBL1689772_approved": { + "title": "OMADACYCLINE", + "synonyms": [ + "AMADACYCLINE", + "BAY 73-6944", + "OMADACYCLINE", + "PTK 0796" + ], + "smiles": "CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O", + "atc_code": "J01AA15" + }, + "CHEMBL3183184_approved": { + "title": "OCTINOXATE", + "synonyms": [ + "2-ETHYLHEXYL P-METHOXYCINNAMATE", + "2-ETHYLHEXYL-P-METHOXYCINNAMATE", + "ESCALOL 557", + "ESCALOL 557NB", + "ESCALOL 557T", + "ETHYLHEXYL METHOXYCINNAMATE", + "ETHYLHEXYL P-METHOXYCINNAMATE", + "EUSOLEX 2292", + "EUSOLEX UV-PEARLS OMC", + "JEESCREEN OMC", + "NEO HELIOPAN AV", + "NSC-26466", + "OCINOXATE", + "OCTINOXATE", + "OCTYL METHOXYCINNAMATE", + "OCTYL P-METHOXYCINNAMATE", + "PARSOL MCX", + "PARSOL MCX-SA", + "PARSOL MOX", + "SOLAROM OMC", + "SUN CAPS 664", + "SUNSCREEN AV", + "TINOSORB OMC", + "UVINUL 3088", + "UVINUL MC 80", + "UVINUL MC 80N", + "UVINUL MC 90", + "UVINUL MC80" + ], + "smiles": "CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1", + "atc_code": "D02BA02" + }, + "CHEMBL4594250_approved": { + "title": "NETARSUDIL", + "synonyms": [ + "AR-11324 FREE BASE", + "AR-13324", + "NETARSUDIL" + ], + "smiles": "Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1", + "atc_code": "S01EX05" + }, + "CHEMBL1201313_approved": { + "title": "CHLOPHEDIANOL", + "synonyms": [ + "ANTITUSSIN", + "CLOFEDANOL", + "Chlophedianol", + "NSC-113595", + "TUSSISTOP" + ], + "smiles": "CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl", + "atc_code": "R05DB10" + }, + "CHEMBL460_approved": { + "title": "MOLINDONE", + "synonyms": [ + "MOLINDONE", + "Moban", + "Molindone", + "SPN-810" + ], + "smiles": "CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2", + "atc_code": "N05AE02" + }, + "CHEMBL1187833_approved": { + "title": "UMECLIDINIUM", + "synonyms": [ + "GSK-573719", + "GSK573719", + "UMECLIDINIUM", + "UMECLIDINIUM CATION", + "UMECLIDINIUM ION" + ], + "smiles": "OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2", + "atc_code": null + }, + "CHEMBL717_approved": { + "title": "MEDROXYPROGESTERONE ACETATE", + "synonyms": [ + "ADGYN MEDRO", + "AMEN", + "Amen", + "CLIMANOR", + "CURRETAB", + "CYCRIN", + "DEPO-PROGEVERA", + "DEPO-PROVERA", + "DEPO-PROVERA ONCOLOGY", + "DEPO-SUBQ PROVERA 104", + "DEPOT-MEDROXYPROGESTERONE ACETATE", + "FARLUTAL", + "FARLUTAL 100", + "FARLUTAL 200", + "FARLUTAL 250", + "FARLUTAL 500", + "FARLUTAL INYECTABLE", + "G03AC06", + "Lunelle", + "MEDROXIPROGESTERONE ACETATE", + "MEDROXYPROGESTERONE", + "MEDROXYPROGESTERONE 17-ACETATE", + "MEDROXYPROGESTERONE ACETATE", + "MEDROXYPROGESTERONI ACETAS", + "Medroxyprogesterone Acetate", + "NSC-21171", + "NSC-26386", + "NSC-27408", + "PROVERA", + "Prempro", + "Provera", + "SAYANA PRESS", + "TV-46046" + ], + "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C", + "atc_code": "L02AB02 | G03AC06 | G03DA02" + }, + "CHEMBL1482_approved": { + "title": "BETHANECHOL", + "synonyms": [ + "BETHANECHOL", + "Bethanechol" + ], + "smiles": "CC(C[N+](C)(C)C)OC(N)=O", + "atc_code": "N07AB02" + }, + "CHEMBL1358_approved": { + "title": "FULVESTRANT", + "synonyms": [ + "FULVESTRANT", + "Faslodex", + "ICI 182,780", + "ICI-182780", + "NSC-759879", + "ZD-9238", + "ZD9238" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O", + "atc_code": "L02BA03" + }, + "CHEMBL435381_approved": { + "title": "CIMICOXIB", + "synonyms": [ + "CIMALGEX", + "CIMICOXIB", + "CIMICOXIB (EMA EPAR: VETERINARY)", + "Cimalgex" + ], + "smiles": "COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F", + "atc_code": null + }, + "CHEMBL184_approved": { + "title": "ACYCLOVIR", + "synonyms": [ + "ACICLOVIR", + "ACICLOVIRUM", + "ACYCLOVIR", + "AVACLYR", + "AVERT", + "AVIRAL", + "Aciclovir", + "Acycloguanosine", + "CLEARSORE", + "CYMEX ULTRA", + "Cyclovir", + "DUVIMEX", + "GERPEVIR", + "HERPETAD", + "LIPSORE", + "LYPSYL", + "NOVIRUS", + "NSC-645011", + "NSC-758477", + "RANOVIR", + "SITAVIG", + "SOOTHELIP", + "SORAWAY", + "VIRALIEF", + "VIRASORB", + "VIROVIR 200", + "VIROVIR 400", + "VIROVIR 800", + "ZOVIRAX", + "Zovirax" + ], + "smiles": "Nc1nc2c(ncn2COCCO)c(=O)[nH]1", + "atc_code": "J05AB01 | S01AD03 | D06BB53 | D06BB03" + }, + "CHEMBL427_approved": { + "title": "MECHLORETHAMINE", + "synonyms": [ + "CHLORETHAZINE", + "CHLORMETHINE", + "Ledaga", + "MECHLORETHAMINE", + "Mechlorethamine", + "Mustargen", + "NITROGEN MUSTARD (HN 2)", + "NSC-10107", + "NSC-128663", + "NSC-757087" + ], + "smiles": "CN(CCCl)CCCl", + "atc_code": "L01AA05" + }, + "CHEMBL14370_approved": { + "title": "REBOXETINE", + "synonyms": [ + "EDRONAX", + "REBOXETINE" + ], + "smiles": "CCOc1ccccc1OC(c1ccccc1)C1CNCCO1", + "atc_code": "N06AX18" + }, + "CHEMBL1200522_approved": { + "title": "AVOBENZONE", + "synonyms": [ + "AVOBENZONE", + "BUTYL METHOXYDIBENZOYLMETHANE", + "ESCALOL 517", + "EUSOLEX 9020", + "NEOHELIOPAN 357", + "NSC-758680" + ], + "smiles": "COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1", + "atc_code": null + }, + "CHEMBL1200436_approved": { + "title": "OXANDROLONE", + "synonyms": [ + "ANAVAR", + "LONAVAR", + "NSC-67068", + "OXANDRIN", + "OXANDROLONE", + "OXANDROLONE CIII", + "PROVITAR", + "SC 11585", + "SC-11585", + "VASOROME" + ], + "smiles": "C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O", + "atc_code": "A14AA08" + }, + "CHEMBL161_approved": { + "title": "CEFTRIAXONE", + "synonyms": [ + "CEFTRIAXON", + "CEFTRIAXONE", + "Ceftriaxone" + ], + "smiles": "CO/N=C(\\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1", + "atc_code": "J01DD04 | J01DD54" + }, + "CHEMBL2070241_approved": { + "title": "BREMELANOTIDE", + "synonyms": [ + "BREMELANOTIDE", + "Bremelanotide", + "PT-141", + "PT-141 FREE BASE" + ], + "smiles": "CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O", + "atc_code": "G02CX05" + }, + "CHEMBL33986_approved": { + "title": "BUTORPHANOL", + "synonyms": [ + "BUTORPHANOL", + "LEVO-BC-2627" + ], + "smiles": "Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3", + "atc_code": "N02AF01" + }, + "CHEMBL3989866_approved": { + "title": "BICTEGRAVIR", + "synonyms": [ + "BICTEGRAVIR", + "GS-9883", + "GS-9883-01" + ], + "smiles": "O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2", + "atc_code": null + }, + "CHEMBL159_approved": { + "title": "VINBLASTINE", + "synonyms": [ + "NSC-47842", + "VINBLASTINE", + "Velban", + "[3H]-Vinblastine" + ], + "smiles": "CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1", + "atc_code": "L01CA01" + }, + "CHEMBL1201232_approved": { + "title": "ISOPROPAMIDE", + "synonyms": [ + "ISOPROPAMIDE", + "ISOPROPAMIDE CATION", + "ISOPROPAMIDE ION", + "Isopropamide" + ], + "smiles": "CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C", + "atc_code": "A03AB09" + }, + "CHEMBL1201346_approved": { + "title": "BALSALAZIDE", + "synonyms": [ + "BALSALAZIDE", + "Balsalazide" + ], + "smiles": "O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1", + "atc_code": "A07EC04" + }, + "CHEMBL259571_approved": { + "title": "TAPINAROF", + "synonyms": [ + "BENVITIMOD", + "GSK-2894512", + "GSK2894512", + "TAPINAROF", + "VTAMA", + "WBI-1001" + ], + "smiles": "CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O", + "atc_code": null + }, + "CHEMBL1201213_approved": { + "title": "ISOETHARINE", + "synonyms": [ + "DILABRON", + "ETYPRENALINE", + "ISOETARINE", + "ISOETHARINE", + "NEOISUPREL", + "WIN 3406", + "WIN-3046", + "WIN-3406", + "WIN3406" + ], + "smiles": "CCC(NC(C)C)C(O)c1ccc(O)c(O)c1", + "atc_code": "R03AC07 | R03CC06" + }, + "CHEMBL1201222_approved": { + "title": "LISDEXAMFETAMINE", + "synonyms": [ + "L-LYSINE-DEXTROAMPHETAMINE", + "LISDEXAMFETAMINE", + "LISDEXAMPHETAMINE" + ], + "smiles": "C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN", + "atc_code": "N06BA12" + }, + "CHEMBL1731_approved": { + "title": "MEZLOCILLIN", + "synonyms": [ + "BAY-F-1353", + "BAYPEN", + "MEZLOCILLIN", + "Mezlocillin" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA10" + }, + "CHEMBL1200986_approved": { + "title": "HALOPERIDOL DECANOATE", + "synonyms": [ + "HALDOL", + "HALOMONTH", + "HALOPERIDOL DECANOATE", + "Haldol Dec", + "R-13,672", + "R-13672" + ], + "smiles": "CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1", + "atc_code": null + }, + "CHEMBL1201260_approved": { + "title": "BETHANIDINE", + "synonyms": [ + "BETANIDINE", + "Bethanidine" + ], + "smiles": "C/N=C(\\NC)NCc1ccccc1", + "atc_code": "C02CC01" + }, + "CHEMBL1200696_approved": { + "title": "POTASSIUM PERCHLORATE", + "synonyms": [ + "PERCHLORACAP", + "PEROIDIN", + "PERTIROID", + "POTASSIUM PERCHLORATE", + "Potassium perchlorate" + ], + "smiles": "[K+].[O-][Cl+3]([O-])([O-])[O-]", + "atc_code": "H03BC01" + }, + "CHEMBL1201204_approved": { + "title": "CEFPIRAMIDE", + "synonyms": [ + "CEFPIRAMIDE", + "NSC-759869", + "WY-44,635", + "WY-44635" + ], + "smiles": "Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1", + "atc_code": "J01DD11" + }, + "CHEMBL1522_approved": { + "title": "ESZOPICLONE", + "synonyms": [ + "(S)-ZOPICLONE", + "(S)-Zopiclone", + "ESTORRA", + "ESZOPICLON", + "ESZOPICLONE", + "ESZOPICLONE CIV", + "GSK-1755165", + "LUNESTA", + "ZOPICLONE S-FORM" + ], + "smiles": "CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1", + "atc_code": "N05CF04" + }, + "CHEMBL193482_approved": { + "title": "ESTRIOL", + "synonyms": [ + "16.ALPHA.,17.BETA.-ESTRIOL", + "16.ALPHA.-HYDROXYESTRADIOL", + "AACIFEMINE", + "COLPOGYN", + "ESTRIOL", + "ESTRIOL ACETATE BENZOATE", + "ESTRIOL PROPIONATE", + "ESTRIOL SUCCINATE", + "Estriol", + "GYNEST", + "INCURIN", + "Incurin", + "NSC-12169", + "OESTRIOL", + "ORTHO-GYNEST", + "OVESTIN", + "TRIHYDROXYESTRIN" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O", + "atc_code": "G03CA04 | G03CC06" + }, + "CHEMBL444633_approved": { + "title": "RIFABUTIN", + "synonyms": [ + "ANSAMYCIN", + "LM 427", + "LM-427", + "MYCOBUTIN", + "RIFABUTIN" + ], + "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O", + "atc_code": "J04AB04" + }, + "CHEMBL602_approved": { + "title": "CYSTEAMINE", + "synonyms": [ + "CYSTAGON", + "CYSTEAMINE", + "Cystagon", + "Cysteamine", + "L-1573", + "MEA", + "MERCAPTAMINE", + "NSC-647528", + "PROCYSBI" + ], + "smiles": "NCCS", + "atc_code": "A16AA04 | S01XA21" + }, + "CHEMBL313972_approved": { + "title": "MASOPROCOL", + "synonyms": [ + "ACTINEX", + "CHX-100", + "DIHYDRONORGUAIARETIC ACID", + "DINORGUAIARETIC ACID, DIHYDRO-", + "INSM-18", + "INSM18", + "MASOPROCOL", + "MESO-NDGA", + "MESO-NORDIHYDROGUAIARETIC ACID", + "NORDIHYDROGUAIARETATE", + "NORDIHYDROGUAIARETIC ACID", + "NORDIHYDROGUIARETIC ACID", + "NSC-4291", + "NSC-682984", + "ORISTAR NHGA" + ], + "smiles": "C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1", + "atc_code": "L01XX10" + }, + "CHEMBL1591_approved": { + "title": "DEMECLOCYCLINE", + "synonyms": [ + "DEMECLOCYCLINE", + "DEMETHYLCHLORTETRACYCLINE", + "Demeclocycline" + ], + "smiles": "CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12", + "atc_code": "D06AA01 | J01AA01" + }, + "CHEMBL3707310_approved": { + "title": "LOTILANER", + "synonyms": [ + "CREDELIO", + "Credelio", + "LOTILANER", + "LOTILANER (EMA EPAR: VETERINARY)", + "XDEMVY" + ], + "smiles": "Cc1cc(C2=NO[C@@](c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(=O)NCC(F)(F)F", + "atc_code": null + }, + "CHEMBL727_approved": { + "title": "THIOGUANINE", + "synonyms": [ + "LANVIS", + "NSC-752", + "NSC-76504", + "THIOGUANINE", + "THIOGUANINE ANHYDROUS", + "THIOGUANINE HEMIHYDRATE", + "THIOGUANINE, ANHYDROUS", + "TIOGUANINE", + "TIOGUANINE HEMIHYDRATE", + "Tabloid" + ], + "smiles": "Nc1nc2[nH]cnc2c(=S)[nH]1", + "atc_code": "L01BB03" + }, + "CHEMBL1504_approved": { + "title": "TRIAMCINOLONE ACETONIDE", + "synonyms": [ + "ADCORTYL", + "ADCORTYL IN ORABASE", + "ALLERNAZE", + "ARISTOCORT", + "ARISTOCORT A", + "ARISTOGEL", + "AUDICORT", + "AUREOCORT", + "AZMACORT", + "FLUTEX", + "FX-006", + "FX006", + "GPPE EAR DPS CAP", + "GPPE EAR OINT", + "KENACORT", + "KENALOG", + "KENALOG IN ORABASE", + "KENALOG-10", + "KENALOG-40", + "KENALOG-80", + "KENALOG-H", + "Kenacourt", + "NASACORT", + "NASACORT ALLERGY 24 HOUR", + "NASACORT AQ", + "NASACORT HFA", + "NSC-21916", + "NYSTADERMAL", + "ORALONE", + "Oracort", + "PEVARYL T.C.", + "REMIDERM", + "REMOTIC", + "SILDERM", + "TRI-ADCORTYL", + "TRIACET", + "TRIACORT", + "TRIAMCINOLONE ACETONIDE", + "TRIAMCINOLONE ACETONIDE IN ABSORBASE", + "TRIATEX", + "TRIDERM", + "TRIESENCE", + "TRIVARIS", + "TRYMEX", + "Tri-nasal", + "Triamcinolone Acetonide", + "Vetalog", + "XIPERE", + "ZILRETTA" + ], + "smiles": "CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1", + "atc_code": null + }, + "CHEMBL276832_approved": { + "title": "HYDRALAZINE", + "synonyms": [ + "HYDRALAZINE", + "HYDRALAZINE POLISTIREX", + "NSC-126699" + ], + "smiles": "NNc1nncc2ccccc12", + "atc_code": "C02DB02" + }, + "CHEMBL296306_approved": { + "title": "LACTULOSE", + "synonyms": [ + "4-GALACTOSYL FRUCTOSE", + "ACILAC", + "BIFITERAL", + "CEPHULAC", + "CHOLAC", + "CHRONULAC", + "CONSTILAC", + "CONSTULOSE", + "DUPHALAC", + "DUPHALAC DRY", + "E966", + "ENULOSE", + "EVALOSE", + "GENERLAC", + "HEPTALAC", + "LACTULOSE", + "LACTULOSE JP17", + "LAXILOSE", + "LAXOSE ORANGE", + "LEMLAX", + "NSC-757082", + "OSMOLAX", + "PORTALAC", + "REGULOSE" + ], + "smiles": "OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O", + "atc_code": "A06AD11 | A06AD61" + }, + "CHEMBL571546_approved": { + "title": "TIRBANIBULIN", + "synonyms": [ + "KX-01", + "KX-2-391", + "KX-2391", + "KX2-391", + "KX2391", + "Klisyri", + "TIRBANIBULIN" + ], + "smiles": "O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1", + "atc_code": "D06BX03" + }, + "CHEMBL19449_approved": { + "title": "IBUDILAST", + "synonyms": [ + "AV-411", + "AV411", + "IBUDILAST", + "KETAS", + "MN-166" + ], + "smiles": "CC(C)C(=O)c1c(C(C)C)nn2ccccc12", + "atc_code": "R03DC04" + }, + "CHEMBL45816_approved": { + "title": "MIBEFRADIL", + "synonyms": [ + "MIBEFRADIL", + "POSICOR 100", + "POSICOR 50", + "Posicor" + ], + "smiles": "COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C", + "atc_code": "C08CX01" + }, + "CHEMBL645_approved": { + "title": "BISOPROLOL", + "synonyms": [ + "BISOPROLOL", + "Bisoprolol", + "CL 297,939", + "CL-297939", + "EMD 33 512", + "EMD-33-512", + "Zebeta", + "Ziac" + ], + "smiles": "CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1", + "atc_code": "C07AB07" + }, + "CHEMBL985_approved": { + "title": "UREA", + "synonyms": [ + "AQUADRATE", + "AZODICARBOXYLIC ACID-DIAMIDE", + "BALNEUM PLUS", + "CALMURID", + "CARBAMIDE", + "E-927A", + "E927b", + "EUCERIN", + "FLEXIFOOT", + "FLEXITOL", + "HYDROMOL INTENSIVE", + "INS NO.927A", + "INS-927A", + "NSC-34375", + "NUTRAPLUS", + "SENTIAL E", + "ST.JAMES BALM", + "STERILE UREA", + "UREA", + "UREAPHIL", + "Urea" + ], + "smiles": "NC(N)=O", + "atc_code": "D02AE01 | B05BC02 | D02AE51" + }, + "CHEMBL276568_approved": { + "title": "CEFPROZIL ANHYDROUS, (E)-", + "synonyms": [ + "Cefzil" + ], + "smiles": "C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1", + "atc_code": null + }, + "CHEMBL21333_approved": { + "title": "PRANLUKAST", + "synonyms": [ + "AZLAIRE", + "CCN 00401", + "CCN-00401", + "ONO 1078", + "ONO-1078", + "PRANLUKAST", + "RS 411", + "RS-411", + "SB 205312", + "SB-205312" + ], + "smiles": "O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1", + "atc_code": "R03DC02" + }, + "CHEMBL819_approved": { + "title": "OXACILLIN", + "synonyms": [ + "OXACILLIN", + "OXAZOCILLINE", + "Oxacillin", + "Prostaphlin" + ], + "smiles": "Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O", + "atc_code": "J01CF04" + }, + "CHEMBL3990276_approved": { + "title": "TALC", + "synonyms": null, + "smiles": "O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O", + "atc_code": null + }, + "CHEMBL1201766_approved": { + "title": "FOSPROPOFOL", + "synonyms": [ + "FOSPROPOFOL" + ], + "smiles": "CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O", + "atc_code": null + }, + "CHEMBL2403238_approved": { + "title": "CABOTEGRAVIR", + "synonyms": [ + "APRETUDE", + "CABOTEGRAVIR", + "GSK-1265744", + "GSK-1265744A", + "GSK1265744", + "GSK1265744A", + "GSK744", + "S-265744" + ], + "smiles": "C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12", + "atc_code": "J05AJ04" + }, + "CHEMBL1144_approved": { + "title": "PRAVASTATIN", + "synonyms": [ + "C10AA03", + "PRAVASTATIN", + "PRAVATOR", + "Pravachol", + "Pravastatin" + ], + "smiles": "CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21", + "atc_code": "C10AA03" + }, + "CHEMBL23_approved": { + "title": "DILTIAZEM", + "synonyms": [ + "Cardizem", + "DILTIAZEM", + "DILTIAZEM EXTENDED RELEASE", + "DITIAZ", + "Dilt-CD", + "Diltiazem", + "Diltzac", + "SURAZEM", + "Tiamate", + "Tiazac" + ], + "smiles": "COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1", + "atc_code": "C05AE03 | C08DB01" + }, + "CHEMBL1055_approved": { + "title": "CHLORTHALIDONE", + "synonyms": [ + "CHLORTALIDONE", + "CHLORTALIDONUM", + "CHLORTHALIDONE", + "G-33182", + "HYGROTON", + "NATRIURAN", + "NSC-69200", + "PHTHALAMUDINE", + "THALITONE" + ], + "smiles": "NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl", + "atc_code": "C03BA04" + }, + "CHEMBL2135460_approved": { + "title": "TERLIPRESSIN", + "synonyms": [ + "GLYCYLPRESSIN", + "GLYPRESSIN", + "TERLIPRESSIN", + "TERLIPRESSIN ACETATE", + "TERLIVAZ", + "VARIQUEL" + ], + "smiles": "NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O", + "atc_code": "H01BA04" + }, + "CHEMBL594_approved": { + "title": "EMEDASTINE", + "synonyms": [ + "EMEDASTINE", + "Emadine", + "Emedastine" + ], + "smiles": "CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21", + "atc_code": "S01GX06" + }, + "CHEMBL698_approved": { + "title": "TETRACAINE", + "synonyms": [ + "AMETHOCAINE", + "AMETOP", + "Dicaine", + "Pontocaine", + "TETRACAINE", + "Tetracaine" + ], + "smiles": "CCCCNc1ccc(C(=O)OCCN(C)C)cc1", + "atc_code": "C05AD02 | D04AB06 | S01HA03 | N01BA03" + }, + "CHEMBL561_approved": { + "title": "LOMEFLOXACIN", + "synonyms": [ + "LOMEFLOXACIN", + "Lomefloxacin", + "Maxaquin", + "OKACYN", + "SC-47111A" + ], + "smiles": "CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21", + "atc_code": "J01MA07 | S01AE04" + }, + "CHEMBL308954_approved": { + "title": "ETRAVIRINE", + "synonyms": [ + "ETRAVIRINE", + "Intelence", + "R-165335", + "R165335", + "TMC 125", + "TMC-125", + "TMC125" + ], + "smiles": "Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br", + "atc_code": "J05AG04" + }, + "CHEMBL1201314_approved": { + "title": "VALGANCICLOVIR", + "synonyms": [ + "VALGANCICLOVIR" + ], + "smiles": "CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21", + "atc_code": "J05AB14" + }, + "CHEMBL190_approved": { + "title": "THEOPHYLLINE", + "synonyms": [ + "ACCURBRON", + "AEROLATE", + "AEROLATE III", + "AEROLATE JR", + "AEROLATE SR", + "AQUAPHYLLIN", + "BRONKODYL", + "DIMETHYLXANTHINE", + "DOXOPHYLLINE METABOLITE M3", + "DURAPHYL", + "ELIXICON", + "ELIXOMIN", + "ELIXOPHYLLIN", + "ELIXOPHYLLIN SR", + "LABID", + "LANOPHYLLIN", + "LASMA", + "NSC-2066", + "NSC-757346", + "NUELIN", + "NUELIN SA", + "NUELIN SA-250", + "PRO-VENT", + "QUIBRON-T", + "QUIBRON-T/SR", + "Quibron", + "Respbid", + "SLO-BID", + "SLO-PHYLLIN", + "SOMOPHYLLIN-CRT", + "SOMOPHYLLIN-T", + "SUSTAIRE", + "T-PHYL", + "THEO-24", + "THEO-DUR", + "THEOBID", + "THEOBID JR.", + "THEOCHRON", + "THEOCLEAR L.A.-130", + "THEOCLEAR L.A.-260", + "THEOCLEAR-100", + "THEOCLEAR-200", + "THEOCLEAR-80", + "THEOGRAD", + "THEOLAIR", + "THEOLAIR-SR", + "THEOLIXIR", + "THEOPHYL", + "THEOPHYL-225", + "THEOPHYL-SR", + "THEOPHYLLINE", + "THEOPHYLLINE ANHYDROUS", + "THEOPHYLLINE MELTING POINT STANDARD", + "THEOPHYLLINE MONOHYDRATE", + "THEOPHYLLINE, ANHYDROUS", + "THEOPHYLLINE,ANHYDROUS", + "THEOPHYLLINE-SR", + "THEOVENT", + "Theocin", + "Theophylline", + "UNI-DUR", + "UNIPHYLLIN CONTINUS", + "Uniphyl" + ], + "smiles": "Cn1c(=O)c2[nH]cnc2n(C)c1=O", + "atc_code": "R03DA04 | R03DA74 | R03DA54" + }, + "CHEMBL1515_approved": { + "title": "METHIMAZOLE", + "synonyms": [ + "FAVISTAN", + "MERCAPTIZOLE", + "METHIMAZOLE", + "Methimazole", + "NSC-38608", + "TAPAZOLE", + "THIAMAZOLE" + ], + "smiles": "Cn1ccnc1S", + "atc_code": "H03BB52 | H03BB02" + }, + "CHEMBL3188267_approved": { + "title": "CAPMATINIB", + "synonyms": [ + "CAPMATINIB", + "Capmatinib", + "INC-280", + "INC280", + "INCB-28060", + "INCB-28060 FREE BASE", + "NVP-INC280", + "NVP-INC280-NX", + "NYP-INC280-NX" + ], + "smiles": "CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F", + "atc_code": "L01EX17" + }, + "CHEMBL579205_approved": { + "title": "FLUTEMETAMOL", + "synonyms": [ + "FLUTEMETAMOL", + "[3H]-Flutemetamol" + ], + "smiles": "CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F", + "atc_code": null + }, + "CHEMBL114_approved": { + "title": "SAQUINAVIR", + "synonyms": [ + "FORTOVASE", + "Invirase", + "RO 31-8959/000", + "Ro-31-8959", + "SAQUINAVIR", + "SAQUINAVIRUM", + "SCH-52852" + ], + "smiles": "CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1", + "atc_code": "J05AE01" + }, + "CHEMBL1089_approved": { + "title": "PHENELZINE", + "synonyms": [ + "Nardil", + "PHENELZINE", + "Phenelzine" + ], + "smiles": "NNCCc1ccccc1", + "atc_code": "N06AF03" + }, + "CHEMBL1663_approved": { + "title": "PERFLUTREN", + "synonyms": [ + "DEFINITY", + "DEFINITY RT", + "DMP 115", + "DMP-115", + "FS-069", + "FS069", + "Luminity", + "MRX-115", + "PERFLUOROPROPANE", + "PERFLUTREN" + ], + "smiles": "FC(F)(F)C(F)(F)C(F)(F)F", + "atc_code": null + }, + "CHEMBL1201231_approved": { + "title": "PREDNISOLONE PHOSPHORIC ACID", + "synonyms": [ + "PREDNISOLONE PHOSPHORIC ACID", + "Prednisolone phosphate" + ], + "smiles": "C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O", + "atc_code": null + }, + "CHEMBL980_approved": { + "title": "GUAIFENESIN", + "synonyms": [ + "Amonidron", + "CVT-2534", + "FAMEL", + "FRANOLYN CHESTY", + "GLYCERYL GUAIACOLATE", + "GUAIACOL GLYCERYL ETHER", + "GUAIFENESIN", + "GUAIFENSIN", + "GUAIPHENESIN", + "Gecolate", + "Glycerol Guaiacolate", + "Guaiphenesin", + "HUSTOSIL", + "Humabid", + "LIQUFRUTA", + "METHPHENOXYDIOL", + "MUCINEX", + "NIROLEX FOR CHESTY COUGH DECONGESTANT", + "NSC-62112", + "ROBITUSSIN", + "Robitussin", + "TIXYLIX CHESTY COUGH" + ], + "smiles": "COc1ccccc1OCC(O)CO", + "atc_code": "R05CA03" + }, + "CHEMBL1100_approved": { + "title": "PARAMETHADIONE", + "synonyms": [ + "ISOETHADIONE", + "NSC-760129", + "PARADIONE", + "PARAMETHADIONE", + "Paramethadione" + ], + "smiles": "CCC1(C)OC(=O)N(C)C1=O", + "atc_code": "N03AC01" + }, + "CHEMBL836_approved": { + "title": "TAMSULOSIN", + "synonyms": [ + "HGP-0412", + "HIP-1402", + "HIP1402", + "TAMSULON", + "TAMSULOSIN", + "Tamsulosin" + ], + "smiles": "CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1", + "atc_code": "G04CA02" + }, + "CHEMBL1481_approved": { + "title": "GLIMEPIRIDE", + "synonyms": [ + "AMARYL", + "Amaryl", + "GLIMEPIRIDE", + "HOE 490", + "HOE-490", + "NIDDARYL", + "NSC-759809" + ], + "smiles": "CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O", + "atc_code": "A10BB12" + }, + "CHEMBL517_approved": { + "title": "DISOPYRAMIDE", + "synonyms": [ + "(RS)-DISOPYRAMIDE", + "DICORANTIL", + "DISOPYRAMIDE", + "DL-DISOPYRAMIDE", + "Disopyramide", + "H-3292", + "ISORYTHM", + "LISPINE", + "Norpace", + "RITMILEN", + "RYTHMODAN P", + "SC-7031", + "SEARLE-703" + ], + "smiles": "CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C", + "atc_code": "C01BA03" + }, + "CHEMBL306700_approved": { + "title": "VILOXAZINE", + "synonyms": [ + "VILOXAZIN", + "VILOXAZINE" + ], + "smiles": "CCOc1ccccc1OCC1CNCCO1", + "atc_code": "N06AX09" + }, + "CHEMBL1201864_approved": { + "title": "DIENOGEST", + "synonyms": [ + "DIENOGEST", + "M 18575", + "M-18575", + "MJR-35", + "STS 557", + "STS-557", + "ZK 37659", + "ZK-37659" + ], + "smiles": "C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N", + "atc_code": "G03DB08" + }, + "CHEMBL408_approved": { + "title": "TROGLITAZONE", + "synonyms": [ + "CI-991", + "CS-045", + "GR-92132X", + "GR92132X", + "PRELAY", + "REZULIN", + "ROMOZIN", + "Rezulin", + "TROGLITAZONE" + ], + "smiles": "Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2", + "atc_code": "A10BG01" + }, + "CHEMBL411_approved": { + "title": "DIETHYLSTILBESTROL", + "synonyms": [ + "APSTIL", + "CYREN A", + "DIETHYLSTILBESTROL", + "DISTILBENE", + "Diethylstilbestrol", + "ESTROBENE", + "ESTROGENINE", + "ESTROMENIN", + "FONATOL", + "NEW-ESTRANOL 1", + "NSC-3070", + "PALESTROL", + "STILBESTRO", + "STILBESTROFORM", + "STILBESTROL", + "STILBETIN", + "STILBOESTROL", + "SYNESTRIN", + "SYNTHESTRIN", + "Stilboesterol", + "TAMPOVAGAN" + ], + "smiles": "CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1", + "atc_code": "G03CB02 | G03CC05 | L02AA01" + }, + "CHEMBL289480_approved": { + "title": "RILMENIDINE", + "synonyms": [ + "HYPERIUM", + "RILMENIDINE" + ], + "smiles": "C1COC(NC(C2CC2)C2CC2)=N1", + "atc_code": "C02AC06" + }, + "CHEMBL192_approved": { + "title": "SILDENAFIL", + "synonyms": [ + "APHRODIL", + "HIP-0908", + "HIP0908", + "NIPATRA", + "PATREX", + "REVATIO", + "SILDENAFIL", + "SILDENAFIL ACTAVIS", + "SILDENAFIL RATIOPHARM", + "SILDENAFIL TEVA", + "Sildenafil", + "UK-92480", + "VIAGRA", + "VIZARSIN" + ], + "smiles": "CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12", + "atc_code": "G04BE03" + }, + "CHEMBL1200951_approved": { + "title": "FLUPHENAZINE ENANTHATE", + "synonyms": [ + "FLUFENAN", + "FLUPHENAZINE ENANTATE", + "FLUPHENAZINE ENANTHATE", + "FLUPHENAZINE MALEATE", + "FLUPHENAZINI ENANTAS", + "MODITEN ENANT", + "PROLIXIN ENANTHATE", + "SQ 16,114", + "SQ 16144" + ], + "smiles": "CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1", + "atc_code": null + }, + "CHEMBL1475_approved": { + "title": "TRIOXSALEN", + "synonyms": [ + "4,5',8-TRIMETHYLPSORALEN", + "NSC-71047", + "TMP (PSORALEN)", + "TRIOXSALEN", + "TRIOXYSALEN", + "TRISORALEN" + ], + "smiles": "Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1", + "atc_code": "D05AD01 | D05BA01" + }, + "CHEMBL822_approved": { + "title": "TERBINAFINE", + "synonyms": [ + "LAMISIL", + "LAMISIL AT", + "SF 86-327", + "SF-86-327", + "TDT-067", + "TERBINAFINE", + "TERBINAFINE HYDROCHLORIDE" + ], + "smiles": "CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12", + "atc_code": "D01AE15 | D01BA02" + }, + "CHEMBL1201356_approved": { + "title": "METHYLERGONOVINE", + "synonyms": [ + "ERGOTYL", + "METHYLERGOMETRINE", + "METHYLERGONOVINE" + ], + "smiles": "CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1", + "atc_code": "G02AB01" + }, + "CHEMBL1397_approved": { + "title": "POSACONAZOLE", + "synonyms": [ + "(-)-POSACONAZOLE", + "NOXAFIL POWDERMIX KIT", + "Noxafil", + "POSACONAZOLE", + "SCH 56592", + "SCH-56592" + ], + "smiles": "CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O", + "atc_code": "J02AC04" + }, + "CHEMBL1756_approved": { + "title": "ESTRAMUSTINE PHOSPHATE", + "synonyms": [ + "ESTRACYT", + "ESTRAMUSTINE 17-(DIHYDROGEN PHOSPHATE)", + "ESTRAMUSTINE PHOSPHATE", + "Estramustine phosphate", + "LS 299", + "LS-299", + "NSC-89199" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O", + "atc_code": null + }, + "CHEMBL1215_approved": { + "title": "PHENYLEPHRINE", + "synonyms": [ + "(-)-PHENYLEPHRINE", + "(R)-PHENYLEPHRINE", + "AB-101 (PHENYLEPHRINE)", + "Cyclomydril", + "Duo-Medihaler", + "J8.601K", + "M-OXEDRINE", + "M-SYMPATHOL", + "M-SYMPATOL", + "M-SYNEPHRINE", + "META-SYNEPHRINE", + "METASYNEPHRINE", + "PHENYLEPHRINE", + "PHENYLEPHRINE MINIMS", + "PHENYLEPHRINE, (R)-", + "Phenylephrine", + "R(-)-MEZATON" + ], + "smiles": "CNC[C@H](O)c1cccc(O)c1", + "atc_code": "R01AA04 | R01BA53 | R01BA03 | S01FB01 | S01GA05 | C01CA06 | S01GA55 | R01AB01" + }, + "CHEMBL1531_approved": { + "title": "ETONOGESTREL", + "synonyms": [ + "ETONOGESTREL", + "IMPLANON", + "NEXPLANON", + "ORG 3236", + "ORG-3236" + ], + "smiles": "C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC", + "atc_code": "G03AC08" + }, + "CHEMBL2105581_approved": { + "title": "VERALIPRIDE", + "synonyms": [ + "AGRADIL", + "AGREAL", + "VERALIPRIDE" + ], + "smiles": "C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC", + "atc_code": "N05AL06" + }, + "CHEMBL517712_approved": { + "title": "ATROPINE", + "synonyms": [ + "ATROPEN", + "ATROPINE", + "ATROPINE (AUTOINJECTOR)", + "ATROPINUM", + "Atroject", + "Atrophate", + "Atropine", + "DL-HYOSCYAMINE", + "Isopto Atropine" + ], + "smiles": "CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2", + "atc_code": "A03BA01 | S01FA01" + }, + "CHEMBL2111187_approved": { + "title": "RADIUM DICHLORIDE", + "synonyms": [ + "RADIUM DICHLORIDE" + ], + "smiles": "Cl[Ra]Cl", + "atc_code": null + }, + "CHEMBL1314_approved": { + "title": "TIOPRONIN", + "synonyms": [ + "ACADIONE", + "CAPTIMER", + "NSC-760416", + "THIOLA", + "THIOLA EC", + "TIOPRONIN", + "Tiopronin" + ], + "smiles": "CC(S)C(=O)NCC(=O)O", + "atc_code": "G04BX16" + }, + "CHEMBL1201320_approved": { + "title": "ESOMEPRAZOLE", + "synonyms": [ + "A02BC05", + "ESOMEPRAZOLE", + "INEXIUM PARANOVA", + "OMEPRAZOLE S-FORM", + "OMEPRAZOLE, (S)-" + ], + "smiles": "COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", + "atc_code": "A02BC05" + }, + "CHEMBL1200953_approved": { + "title": "HYDROCORTISONE PROBUTATE", + "synonyms": [ + "HYDROCORTISONE BUTEPRATE", + "HYDROCORTISONE BUTYRATE PROPIONATE", + "HYDROCORTISONE PROBUTAT", + "HYDROCORTISONE PROBUTATE", + "PANDEL", + "TS 408", + "TS-408" + ], + "smiles": "CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "D07AB11" + }, + "CHEMBL633_approved": { + "title": "AMIODARONE", + "synonyms": [ + "AMIODARONE", + "Amiodarone", + "Cordarone", + "L-3428", + "Pacerone", + "SKF 33134-A" + ], + "smiles": "CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1", + "atc_code": "C01BD01" + }, + "CHEMBL623_approved": { + "title": "NEFAZODONE", + "synonyms": [ + "NEFAZODONE", + "Nefazodone" + ], + "smiles": "CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1", + "atc_code": "N06AX06" + }, + "CHEMBL643_approved": { + "title": "PROMETHAZINE", + "synonyms": [ + "DIMAPP", + "DIPHERGAN", + "FARGAN", + "NSC-30321", + "PROAZAMINE", + "PROCIT", + "PROMETAZIN", + "PROMETHAZINE", + "PROTAZINE", + "PROTHAZIN", + "Phenergan", + "Promethacon", + "Promethazine", + "Promethegan", + "RP-3277", + "Remsed", + "VALLERGINE", + "Zipan-25", + "Zipan-50" + ], + "smiles": "CC(CN1c2ccccc2Sc2ccccc21)N(C)C", + "atc_code": "R06AD52 | D04AA10 | R06AD02" + }, + "CHEMBL198362_approved": { + "title": "RIVAROXABAN", + "synonyms": [ + "BAY 59-7939", + "BAY-59-7939", + "JNJ-39039039", + "JNJ39039039", + "RIVAROXABAN", + "Xarelto" + ], + "smiles": "O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1", + "atc_code": "B01AF01" + }, + "CHEMBL632_approved": { + "title": "BETAMETHASONE", + "synonyms": [ + "ALPHATREX", + "BETA-VAL", + "BETAMETHASONE", + "BETNELAN", + "Betasolan", + "Betatrex", + "CELESTONE", + "Dermabet", + "FLUBENISOLONE", + "Lotrisone", + "NSC-39470", + "SCH 4831", + "SCH-4831", + "Taclonex", + "Uticort", + "VISUBETA" + ], + "smiles": "C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO", + "atc_code": "D07AC01 | D07XC01 | H02AB01 | S02BA07 | S01CB04 | S03BA03 | R03BA04 | S01BA06 | A07EA04 | R01AD06 | C05AA05" + }, + "CHEMBL260538_approved": { + "title": "ULIPRISTAL ACETATE", + "synonyms": [ + "CDB-2914", + "ELLA", + "Esmya", + "PGL-4001", + "RTI-3021-012", + "ULIPRISTAL ACET", + "ULIPRISTAL ACETATE", + "ULIPRISTAL ACETATE ", + "Ulipristal acetate", + "VA-2914", + "VA2914", + "ellaOne" + ], + "smiles": "CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C", + "atc_code": null + }, + "CHEMBL46286_approved": { + "title": "OMACETAXINE MEPESUCCINATE", + "synonyms": [ + "CEFLATONIN", + "CGX-635", + "HOMOHARRINGTONIN", + "HOMOHARRINGTONINE", + "MYELOSTAT", + "NSC-141633", + "OMACETAXINE MEPESUCCINATE", + "OMAPRO", + "SYNRIBO" + ], + "smiles": "COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4", + "atc_code": "L01XX40" + }, + "CHEMBL1493_approved": { + "title": "FLAVOXATE", + "synonyms": [ + "BLADURIL", + "FLAVOXATE", + "Flavoxate" + ], + "smiles": "Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O", + "atc_code": "G04BD02" + }, + "CHEMBL1200800_approved": { + "title": "CALCIUM ACETATE", + "synonyms": [ + "ACETIC ACID, CALCIUM SALT", + "ACETIC ACID, CALCIUM SALT (2:1)", + "CALCAREA ACETICA", + "CALCIUM ACETATE", + "CALCIUM ACETATE ANHYDROUS", + "CALCIUM ACETATE, ANHYDROUS", + "E-263", + "E263", + "ELIPHOS", + "EVEROSE", + "FEMA NO. 2228", + "INS NO.263", + "INS-263", + "PHOSEX", + "PHOSLO", + "PHOSLO GELCAPS", + "PHOSLYRA", + "RENACET" + ], + "smiles": "CC(=O)[O-].CC(=O)[O-].[Ca+2]", + "atc_code": "V03AE07" + }, + "CHEMBL3833319_approved": { + "title": "REVEFENACIN", + "synonyms": [ + "GSK-1160724", + "GSK1160724", + "REVEFENACIN", + "TD-4208", + "YUPELRI" + ], + "smiles": "CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1", + "atc_code": "R03BB08" + }, + "CHEMBL553025_approved": { + "title": "VINORELBINE", + "synonyms": [ + "NAVELBIN", + "NSC-760087", + "VINORELBINE", + "Vinorelbine Base" + ], + "smiles": "CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2", + "atc_code": "L01CA04" + }, + "CHEMBL1201117_approved": { + "title": "METHOCARBAMOL", + "synonyms": [ + "DELAXIN", + "FORBAXIN", + "METHOCARBAMOL", + "Miolaxin", + "NSC-170960", + "Neuraxin", + "ROBAXIN", + "ROBAXIN-750" + ], + "smiles": "COc1ccccc1OCC(O)COC(N)=O", + "atc_code": "M03BA53 | M03BA03 | M03BA73" + }, + "CHEMBL1237072_approved": { + "title": "DIRITHROMYCIN", + "synonyms": [ + "DIRITHROMYCIN", + "DYNABAC", + "LY 237216", + "LY-237216", + "NSC-758672" + ], + "smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O", + "atc_code": "J01FA13" + }, + "CHEMBL1201340_approved": { + "title": "DIPHEMANIL", + "synonyms": [ + "DIPHEMANIL", + "DIPHEMANIL CATION", + "DIPHEMANIL ION", + "Diphemanil" + ], + "smiles": "C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1", + "atc_code": "A03AB15" + }, + "CHEMBL650_approved": { + "title": "METHYLPREDNISOLONE", + "synonyms": [ + "6-METHYL-PREDNISOLONE", + "6-METHYLPREDNISOLONE", + "J3.872E", + "MEDROL", + "MEDRONE", + "METHYLPREDNISOLONE", + "Methylprednisolone", + "NSC-19987", + "U-67,590A" + ], + "smiles": "C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12", + "atc_code": "H02BX01 | D07AA01 | D10AA02 | H02AB04" + }, + "CHEMBL1229517_approved": { + "title": "VEMURAFENIB", + "synonyms": [ + "PLX-4032", + "PLX4032", + "RG 7204", + "RG-7204", + "RO 5185426", + "RO-51-85426", + "RO-5185426", + "VEMURAFENIB", + "Zelboraf" + ], + "smiles": "CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F", + "atc_code": "L01EC01" + }, + "CHEMBL434394_approved": { + "title": "NEBIVOLOL", + "synonyms": [ + "HYPOLOC", + "NARBIVOLOL", + "NEBILET", + "NEBIVOLOL", + "R-65824", + "R65,824" + ], + "smiles": "OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1", + "atc_code": "C07AB12" + }, + "CHEMBL1200865_approved": { + "title": "LOTEPREDNOL ETABONATE", + "synonyms": [ + "ALREX", + "CDDD 5604", + "CDDD-5604", + "CDDD5604", + "EYSUVIS", + "HGP-1", + "INVELTYS", + "KPI-121", + "LOTEMAX", + "LOTEMAX SM", + "LOTEPREDNOL", + "LOTEPREDNOL ETABONATE", + "Loteprednol", + "P-5604" + ], + "smiles": "CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C", + "atc_code": "S01BA14" + }, + "CHEMBL569_approved": { + "title": "PROCAINE", + "synonyms": [ + "NSC-169497", + "Novocain", + "PROCAINE", + "Procaine" + ], + "smiles": "CCN(CC)CCOC(=O)c1ccc(N)cc1", + "atc_code": "N01BA52 | N01BA02 | S01HA05 | C05AD05" + }, + "CHEMBL1194_approved": { + "title": "PRILOCAINE", + "synonyms": [ + "ASTRA-1512", + "ASTRA-1515", + "Citanest", + "NSC-40027", + "PRILOCAINE", + "PROPITOCAINE" + ], + "smiles": "CCCNC(C)C(=O)Nc1ccccc1C", + "atc_code": "N01BB04 | N01BB54" + }, + "CHEMBL1449_approved": { + "title": "TICARCILLIN", + "synonyms": [ + "TICARCILLIN", + "Ticarcillin" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA13" + }, + "CHEMBL437765_approved": { + "title": "RIFAMYCIN", + "synonyms": [ + "CB-01-11", + "M-14", + "RIFAMICINE SV", + "RIFAMYCIN", + "RIFOMYCIN", + "RIFOMYCIN SV", + "Rifamycin Sv" + ], + "smiles": "CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\\C=C\\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C", + "atc_code": "S02AA12 | A07AA13 | J04AB03 | D06AX15 | S01AA16" + }, + "CHEMBL18442_approved": { + "title": "PLERIXAFOR", + "synonyms": [ + "AMD 3100", + "AMD3100", + "JM 3100", + "Mozobil", + "PLERIXAFOR", + "PLERIXAFOR HYDROCHLORIDE", + "PLERIXAFOR OCTAHYDROCHLORIDE", + "SID 791" + ], + "smiles": "c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1", + "atc_code": "L03AX16" + }, + "CHEMBL1201266_approved": { + "title": "LODOXAMIDE", + "synonyms": [ + "LODOXAMIDE" + ], + "smiles": "N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1", + "atc_code": "S01GX05" + }, + "CHEMBL1596_approved": { + "title": "CARBENICILLIN INDANYL", + "synonyms": [ + "CARBENICILLIN INDANYL", + "CARINDACILLIN", + "Carbenicillin indanyl", + "INDANYL CARBENICILLIN" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA05" + }, + "CHEMBL813_approved": { + "title": "EPROSARTAN", + "synonyms": [ + "EPROSARTAN", + "Eprosartan", + "SK&F 108566", + "SK&F-108566", + "SK-108566", + "TEVETEN", + "Teveten" + ], + "smiles": "CCCCc1ncc(/C=C(\\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1", + "atc_code": "C09CA02" + }, + "CHEMBL1200963_approved": { + "title": "BIMATOPROST", + "synonyms": [ + "AGN 192024", + "AGN-192024", + "BIMATOPROST", + "DURYSTA", + "LATISSE", + "Lumigan", + "PROSTAMIDE" + ], + "smiles": "CCNC(=O)CCC/C=C\\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O", + "atc_code": "S01EE03" + }, + "CHEMBL328190_approved": { + "title": "LASOFOXIFENE", + "synonyms": [ + "LASOFOXIFENE" + ], + "smiles": "Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1", + "atc_code": "G03XC03" + }, + "CHEMBL1373_approved": { + "title": "MODAFINIL", + "synonyms": [ + "CEP 1538", + "CEP-1538", + "CRC-40476", + "CRL 40476", + "CRL-40476", + "DEP-1538", + "MODAFINIL", + "MODAFINIL CIV", + "MODAPHONIL", + "MODIODAL", + "NSC-751178", + "NSC-759110", + "PROVIGIL", + "THN-102 COMPONENT MODAFINIL", + "THN102 COMPONENT MODAFINIL" + ], + "smiles": "NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1", + "atc_code": "N06BA07" + }, + "CHEMBL832_approved": { + "title": "SULFINPYRAZONE", + "synonyms": [ + "ANTURAN", + "ANTURANE", + "NSC-75925", + "SULFINPYRAZONE", + "SULPHINPYRAZONE", + "Sulfinpyrazone" + ], + "smiles": "O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1", + "atc_code": "M04AB02" + }, + "CHEMBL501849_approved": { + "title": "SIMEPREVIR", + "synonyms": [ + "OLYSIO", + "SIMEPREVIR", + "TMC 435", + "TMC 435350", + "TMC-435", + "TMC-435350", + "TMC435", + "TMC435350" + ], + "smiles": "COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C", + "atc_code": "J05AP05" + }, + "CHEMBL20_approved": { + "title": "ACETAZOLAMIDE", + "synonyms": [ + "ACETAMOX", + "ACETAZOLAMIDE", + "ACETAZOLAMIDUM", + "ATENEZO", + "Acetazolamide", + "DEFILTRAN", + "DIAMOX", + "DIAMOX SR", + "DIDOC", + "DIURIWAS", + "DONMOX", + "EDEMOX", + "EYTAZOX", + "GLAUPAX", + "L 579486", + "NEPHRAMIDE", + "NSC-145177", + "PHONURIT" + ], + "smiles": "CC(=O)Nc1nnc(S(N)(=O)=O)s1", + "atc_code": "S01EC01" + }, + "CHEMBL139_approved": { + "title": "DICLOFENAC", + "synonyms": [ + "Arthrotec", + "Cambia", + "Cataflam", + "DICLOFENAC", + "DICLOFENAC ACID", + "DICLOFENAC FREE ACID", + "Diclofenac", + "LAS-41007", + "LAS41007", + "Solaraze", + "Voltaren", + "Voltaren Ophthalmic", + "Voltaren XR", + "Voltaren-XR", + "ZORVOLEX", + "Zorvolex Capsules" + ], + "smiles": "O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl", + "atc_code": "M01AB55 | S01BC03 | D11AX18 | M01AB05 | M02AA15" + }, + "CHEMBL126_approved": { + "title": "LINEZOLID", + "synonyms": [ + "LINEZOLID", + "PNU-100766", + "U-100,766", + "U-100766", + "ZYVOX", + "Zyvox" + ], + "smiles": "CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1", + "atc_code": "J01XX08" + }, + "CHEMBL1069_approved": { + "title": "VALSARTAN", + "synonyms": [ + "CGP 48933", + "CGP-48933", + "DIOVAN", + "Exforge", + "NSC-758927", + "PREXXARTAN", + "VALSARTAN" + ], + "smiles": "CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C", + "atc_code": "C09CA03" + }, + "CHEMBL1200604_approved": { + "title": "TROPICAMIDE", + "synonyms": [ + "BISTROPAMIDE", + "MYDRIACYL", + "MYDRIAFAIR", + "NODS", + "NSC-757372", + "RO-1-7683", + "TROPICACYL", + "TROPICAMIDE", + "TROPICAMIDUM", + "VISUMIDRIATIC" + ], + "smiles": "CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1", + "atc_code": "S01FA06 | S01FA56" + }, + "CHEMBL211456_approved": { + "title": "EPHEDRINE", + "synonyms": [ + "(-)-EPHEDRINE", + "EPHEDRINE", + "EPHEDRINE, ANHYDROUS", + "EPHEDRINUM, ANHYDROUS", + "Ephedrine", + "L-EPHEDRINE", + "NSC-170951", + "NSC-8971", + "XENADRINE" + ], + "smiles": "CN[C@@H](C)[C@H](O)c1ccccc1", + "atc_code": "C01CA26 | R01AB05 | A08AA56 | R01AA03 | S01FB02" + }, + "CHEMBL3991065_approved": { + "title": "ATOGEPANT", + "synonyms": [ + "AGN-241689", + "ATOGEPANT", + "MK-8031", + "Qulipta" + ], + "smiles": "C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F", + "atc_code": "N02CD07" + }, + "CHEMBL1107_approved": { + "title": "HALOFANTRINE", + "synonyms": [ + "DL-WR-171669", + "HALOFANTRINE", + "Halofantrine" + ], + "smiles": "CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12", + "atc_code": "P01BX01" + }, + "CHEMBL896_approved": { + "title": "HYDROXYZINE", + "synonyms": [ + "ATARAXOID", + "Atarax", + "HYDROXYZINE", + "Hydroxyzine", + "MAREX", + "NSC-169188", + "Orgatrax", + "TRAN-Q", + "TRANQUIZINE", + "U.C.B-4492" + ], + "smiles": "OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1", + "atc_code": "N05BB01 | N05BB51" + }, + "CHEMBL4105630_approved": { + "title": "ZURANOLONE", + "synonyms": [ + "S-812217", + "SAGE-217", + "SGE-797", + "ZURANOLONE", + "Zurzuvae" + ], + "smiles": "C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C#N)cn4)CC[C@@H]32)C1", + "atc_code": null + }, + "CHEMBL1017_approved": { + "title": "TELMISARTAN", + "synonyms": [ + "BIBR 277 SE", + "BIBR-277", + "BIBR-277 SE", + "BIBR-277-SE", + "BIBR-277SE", + "C09CA07", + "KINZALMONO", + "Micardis", + "PRITOR", + "SEMINTRA", + "TELMISARTAN", + "TELMISARTAN ACTAVIS", + "TELMISARTAN TEVA", + "TOLURA" + ], + "smiles": "CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1", + "atc_code": "C09CA07" + }, + "CHEMBL1457_approved": { + "title": "HYDROCODONE", + "synonyms": [ + "HYDROCODONE", + "Hydrocodone" + ], + "smiles": "COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314", + "atc_code": "R05DA03" + }, + "CHEMBL894_approved": { + "title": "BUPROPION", + "synonyms": [ + "AMFEBUTAMONE", + "BUPROPION", + "BUPROPION EXTENDED RELEASE", + "BUPROPION SLOW RELEASE", + "Bupropion", + "NSC-758686" + ], + "smiles": "CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1", + "atc_code": "N06AX12" + }, + "CHEMBL720_approved": { + "title": "BENZYL ALCOHOL", + "synonyms": [ + "ALCOHOL BENZYLICUS", + "ALCOHOL,BENZYL", + "BENZYL ALCOHOL", + "Benzyl Alcohol", + "E-1519", + "E1519", + "FEMA NO. 2137", + "INS NO.1519", + "INS-1519", + "NSC-8044", + "PHENYLCARBINOL", + "ULESFIA" + ], + "smiles": "OCc1ccccc1", + "atc_code": "P03AX06" + }, + "CHEMBL1321_approved": { + "title": "PROCARBAZINE", + "synonyms": [ + "Matulane", + "PROCARBACINE", + "PROCARBAZINE", + "Procarbazine", + "RO-4-6467", + "RO-4-6467 FREE BASE" + ], + "smiles": "CNNCc1ccc(C(=O)NC(C)C)cc1", + "atc_code": "L01XB01" + }, + "CHEMBL152_approved": { + "title": "CIDOFOVIR ANHYDROUS", + "synonyms": [ + "ANHYDROUS CIDOFOVIR", + "CIDOFOVIR", + "CIDOFOVIR ANHYDROUS", + "HPMPC", + "Vistide" + ], + "smiles": "Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1", + "atc_code": null + }, + "CHEMBL1095097_approved": { + "title": "EPLERENONE", + "synonyms": [ + "EPLERENONE", + "INSPRA", + "SC-66110", + "SC-6611O" + ], + "smiles": "COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13", + "atc_code": "C03DA04" + }, + "CHEMBL1583_approved": { + "title": "BACAMPICILLIN", + "synonyms": [ + "BACAMPICILLIN", + "Bacampicillin", + "PENGLOBE" + ], + "smiles": "CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C", + "atc_code": "J01CA06" + }, + "CHEMBL532_approved": { + "title": "ERYTHROMYCIN", + "synonyms": [ + "A/T/S", + "AKNE-MYCIN", + "AKNEMYCIN PLUS", + "Benzamycin", + "Bristamycin", + "C-SOLVE-2", + "E-BASE", + "E-Base", + "E-GLADES", + "E-Glades", + "E-MYCIN", + "E-Mycin", + "E-SOLVE 2", + "EMGEL", + "ERY-TAB", + "ERYACNE 2", + "ERYACNE 4", + "ERYC", + "ERYC 125", + "ERYC SPRINKLES", + "ERYCETTE", + "ERYDERM", + "ERYGEL", + "ERYMAX", + "ERYMAX SPRINKLE", + "ERYTHRA-DERM", + "ERYTHRO-STATIN", + "ERYTHROMYCIN", + "ERYTHROMYCIN ESTOLATE IMPURITY, FREE ERYTHROMYCIN-", + "Erypar", + "Erythro 200", + "Erythro-Statin", + "Erythrocin", + "Erythromycin", + "Gallimycin", + "ILOTYCIN", + "ISOTREXIN", + "J01FA01", + "KERYMAX", + "NSC-55929", + "OFTALMOLOSA CUSI ERITROMICINA", + "PAEDIATHROCIN", + "PCE", + "Pfizer-E", + "R-P MYCIN", + "RETCIN", + "ROBIMYCIN", + "ROMMIX 250 EC", + "ROMMIX 500 EC", + "SANSAC", + "STATICIN", + "STIEMYCIN", + "T-STAT", + "TILORYTH", + "Wyamycin", + "ZINERYT" + ], + "smiles": "CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O", + "atc_code": "S01AA17 | J01FA01 | D10AF02 | D10AF52" + }, + "CHEMBL871_approved": { + "title": "ETIDRONIC ACID", + "synonyms": [ + "Didronel", + "ETIDRONATE", + "ETIDRONIC ACID", + "Etidronate", + "M05BA01", + "NSC-227995" + ], + "smiles": "CC(O)(P(=O)(O)O)P(=O)(O)O", + "atc_code": "M05BA01" + }, + "CHEMBL441738_approved": { + "title": "AFAMELANOTIDE", + "synonyms": [ + "(NLE4,D-PHE7)-.ALPHA.-MSH", + "AFAMELANOTIDE", + "CUV-1647", + "CUV1647", + "MELANOTAN", + "MELANOTAN I", + "MELANOTAN-1", + "NDP-ALPHA-MSH", + "SCENESSE" + ], + "smiles": "CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C", + "atc_code": "D02BB02" + }, + "CHEMBL556_approved": { + "title": "DEFEROXAMINE", + "synonyms": [ + "DEFEROXAMINE", + "DESFEROXAMINE B", + "DESFERRIOXAMINE", + "DESFERRIOXAMINE B", + "DFO-B", + "Deferoxamine", + "Desferal", + "NSC-527604" + ], + "smiles": "CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN", + "atc_code": "V03AC01" + }, + "CHEMBL254219_approved": { + "title": "DIGITOXIN", + "synonyms": [ + "CRISTAPURAT", + "CRYSTODIGIN", + "DIGIMERCK", + "DIGITALIN, CRYSTALLINE", + "DIGITOPHYLLIN", + "DIGITOXIN", + "DIGITOXINUM", + "DIGITOXOSIDE", + "GLUCODIGIN", + "LANATOXIN", + "NATIVELLE DIGITALINE", + "NSC-7529", + "PURPURID", + "TRADIGAL" + ], + "smiles": "C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O", + "atc_code": "C01AA04" + }, + "CHEMBL361497_approved": { + "title": "ARTESUNATE", + "synonyms": [ + ".ALPHA.-ARTESUNIC ACID", + "ARTESUNATE", + "ARTESUNATUM", + "ARTESUNIC ACID", + "Artesunate Amivas", + "DIHYDROQINGHAOSU HEMISUCCINATE", + "LJPC-0118", + "NSC-712571", + "PLASMOTRIN", + "QINGHAOZHI", + "SAPHNATE", + "ZYSUNATE" + ], + "smiles": "C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3", + "atc_code": "P01BE03" + }, + "CHEMBL888_approved": { + "title": "GEMCITABINE", + "synonyms": [ + "GEMCITABINE", + "GEMZAR", + "Gemcitabine", + "Gemzar", + "LY-188011", + "LY188011", + "NSC-613327" + ], + "smiles": "Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1", + "atc_code": "L01BC05" + }, + "CHEMBL2364968_approved": { + "title": "ERGOLOID", + "synonyms": null, + "smiles": "CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12", + "atc_code": null + }, + "CHEMBL109_approved": { + "title": "VALPROIC ACID", + "synonyms": [ + "44089", + "CONVULEX", + "DEPAKENE", + "DEPAKOTE", + "NSC-93819", + "PENTANOIC ACID, 2-PROPYL", + "STAVZOR", + "VALPROATE", + "VALPROIC ACID", + "VALPROIC ACID EXTENDED RELEASE" + ], + "smiles": "CCCC(CCC)C(=O)O", + "atc_code": "N03AG01" + }, + "CHEMBL4297588_approved": { + "title": "ODEVIXIBAT", + "synonyms": [ + "A-4250", + "A4250", + "AR-H064974", + "AZD-8294", + "AZD8294", + "ODEVIXIBAT" + ], + "smiles": "CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1", + "atc_code": "A05AX05" + }, + "CHEMBL2110732_approved": { + "title": "DACOMITINIB ANHYDROUS", + "synonyms": [ + "DACOMITINIB ANHYDROUS", + "PF-00299804" + ], + "smiles": "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1", + "atc_code": null + }, + "CHEMBL403664_approved": { + "title": "BLEOMYCIN", + "synonyms": [ + "BLENAMAX", + "BLEO-KYOWA", + "BLEOCIN", + "BLEOMYCIN", + "BLEOMYCIN HEXAL", + "BLEOMYCIN HYDROCHLORIDE", + "BLEOMYCINS", + "NSC-125066" + ], + "smiles": "Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1", + "atc_code": "L01DC01" + }, + "CHEMBL3301594_approved": { + "title": "FOSTEMSAVIR", + "synonyms": [ + "BMS-663068", + "BMS-663068 FREE ACID", + "FOSTEMSAVIR" + ], + "smiles": "COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O", + "atc_code": "J05AX29" + }, + "CHEMBL547_approved": { + "title": "ISOTRETINOIN", + "synonyms": [ + "13 Cis-Retinoic Acid", + "13-CIS-RETINOIC ACID", + "ABSORICA", + "ABSORICA LD", + "ACCUTANE", + "AMNESTEEM", + "CLARAVIS", + "ISOTRETINOIN", + "ISOTREX", + "MYORISAN", + "NSC-758156", + "PAT-001", + "RETINOIC ACID 13-CIS-FORM", + "RETINOIC ACID, 13-CIS-", + "RO 4-3780", + "RO-4-3780", + "RO-43780", + "ROACCUTANE", + "SOTRET", + "VITAMIN A ACID, 13-CIS", + "ZENATANE" + ], + "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C\\C(=O)O)C(C)(C)CCC1", + "atc_code": "D10BA01 | D10AD54 | D10AD04" + }, + "CHEMBL70_approved": { + "title": "MORPHINE", + "synonyms": [ + "ANHYDROUS MORPHINE", + "Avinza", + "Depodur", + "HYDROMORPHONE HYDROCHLORIDE IMPURITY, MORPHINE-", + "IDS-NM-009", + "Infumorph", + "Kadian", + "MORPHIA", + "MORPHINE", + "MORPHINE (ANHYDROUS)", + "MORPHINE ANHYDROUS", + "MORPHINE EXTENDED RELEASE", + "MORPHINE POLISTIREX", + "MORPHIUM", + "Morphine", + "N02AA01", + "NEPENTHE", + "OSPALIVINA" + ], + "smiles": "CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5", + "atc_code": "N02AA51 | A07DA52 | N02AA01" + }, + "CHEMBL254316_approved": { + "title": "RALTEGRAVIR", + "synonyms": [ + "ISENTRESS", + "MK-0518", + "RALTEGRAVIR" + ], + "smiles": "Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1", + "atc_code": "J05AJ01" + }, + "CHEMBL941_approved": { + "title": "IMATINIB", + "synonyms": [ + "GLAMOX", + "Gleevec", + "IMATINIB", + "Imatinib", + "NSC-743414", + "NSC-759854", + "STI-571" + ], + "smiles": "Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1", + "atc_code": "L01EA01" + }, + "CHEMBL3311228_approved": { + "title": "OTESECONAZOLE", + "synonyms": [ + "OTESECONAZOLE", + "VIVJOA", + "VT-1161" + ], + "smiles": "O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1", + "atc_code": "J02AC06" + }, + "CHEMBL584_approved": { + "title": "NELFINAVIR", + "synonyms": [ + "NELFINAVIR", + "NSC-747167", + "Nelfinavir", + "Viracept" + ], + "smiles": "Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C", + "atc_code": "J05AE04" + }, + "CHEMBL566315_approved": { + "title": "OBETICHOLIC ACID", + "synonyms": [ + "6-ECDCA", + "6-ETHYLCHENODEOXYCHOLIC ACID", + "DSP-1747", + "INT-747", + "OBETICHOLIC ACID", + "Obeticholic Acid", + "Ocaliva" + ], + "smiles": "CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12", + "atc_code": "A05AA04" + }, + "CHEMBL1200430_approved": { + "title": "ESTRADIOL ACETATE", + "synonyms": [ + "E3A", + "ESTRADIOL 3-ACETATE", + "ESTRADIOL ACETATE", + "ESTRADIOL-3-ACETATE", + "FEMRING", + "FEMTRACE" + ], + "smiles": "CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12", + "atc_code": null + }, + "CHEMBL117287_approved": { + "title": "PRUCALOPRIDE", + "synonyms": [ + "PRUCALOPRIDE", + "R-093877", + "R093877", + "RESOLOR" + ], + "smiles": "COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1", + "atc_code": "A06AX05" + }, + "CHEMBL620_approved": { + "title": "CLIDINIUM", + "synonyms": [ + "CLIDINIUM CATION", + "CLIDINIUM ION", + "Clidinium" + ], + "smiles": "C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2", + "atc_code": null + }, + "CHEMBL2105648_approved": { + "title": "PALOVAROTENE", + "synonyms": [ + "CLM-001", + "IPN-60120", + "IPN60120", + "PALOVAROTENE", + "Palovarotene", + "R-667", + "RG-667", + "RO-3300074", + "RO3300074", + "Sohonos" + ], + "smiles": "CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21", + "atc_code": "M09AX11" + }, + "CHEMBL1201220_approved": { + "title": "DIATRIZOIC ACID", + "synonyms": [ + "ACIDUM AMIDOTRIZOICUM", + "ACIDUM AMIDOTRIZOICUM, ANHYDROUS", + "AMIDOTRIZOIC ACID", + "AMIDOTRIZOIC ACID, ANHYDROUS", + "DIATRIZOATE", + "DIATRIZOIC ACID", + "NSC-262168", + "ODISTON", + "UROGRAFIN ACID", + "UROGRANOIC ACID", + "UROTRAST" + ], + "smiles": "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I", + "atc_code": "V08AA01" + }, + "CHEMBL64391_approved": { + "title": "ITRACONAZOLE", + "synonyms": [ + "CANDISTAT", + "CANDITRAL", + "CLADOSAL 100", + "FUNGITRAXX", + "Fungitraxx", + "ITRAC", + "ITRACONAZOLE", + "ITRALEK", + "ITRIZOLE", + "NSC-759239", + "ONMEL", + "ORUNGAL", + "R 51,211", + "R-51211", + "SEMPERA", + "SPHERAZOLE CR", + "SPHERAZOLE IR", + "SPORAMELT", + "SPORANOX", + "SPORANOX I.V.", + "SPORANOX-PULSE", + "SPORONOX", + "Sporanos", + "TRACONAL", + "TRIASPORIN" + ], + "smiles": "CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O", + "atc_code": "J02AC02" + }, + "CHEMBL3989916_approved": { + "title": "TIGILANOL TIGLATE", + "synonyms": [ + "EBC-46", + "EBI-46", + "Stelfonta", + "TIGILANOL TIGLATE" + ], + "smiles": "C/C=C(\\C)C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@@H]3C(C)(C)[C@]13OC(=O)[C@@H](C)CC)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]12", + "atc_code": null + }, + "CHEMBL957_approved": { + "title": "BOSENTAN", + "synonyms": [ + "ANHYDROUS BOSENTAN", + "BOSENTAN", + "BOSENTAN ANHYDROUS", + "BOSENTAN HYDRATE", + "BOSENTAN MONOHYDRATE", + "RO 47-0203/029", + "RO-47-0203-029", + "RO-470203029", + "Stayveer", + "Tracleer" + ], + "smiles": "COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO", + "atc_code": "C02KX01" + }, + "CHEMBL1043_approved": { + "title": "DAPSONE", + "synonyms": [ + "ACZONE", + "DAPSONE", + "DAPSONUM", + "DIAMINODIPHENYLSULFONE", + "DIAPHENYLSULFONE", + "Diaphenylsulfone", + "J04BA02", + "NOVOPHONE", + "NSC-6091", + "NSC-6091D", + "SERVIDAPSON" + ], + "smiles": "Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", + "atc_code": "J04BA02 | D10AX05" + }, + "CHEMBL288441_approved": { + "title": "BOSUTINIB", + "synonyms": [ + "BOSULIF", + "BOSUTINIB", + "SK-606", + "SKI-606" + ], + "smiles": "COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl", + "atc_code": "L01EA04" + }, + "CHEMBL400599_approved": { + "title": "BENFLUOREX", + "synonyms": [ + "BENFLUOREX", + "MEDIAXAL", + "NSC-757396" + ], + "smiles": "CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1", + "atc_code": "A10BX06" + }, + "CHEMBL1106_approved": { + "title": "EPINASTINE", + "synonyms": [ + "EPINASTINE", + "Elestat", + "Epinastine", + "PURIVIST", + "WAL-801" + ], + "smiles": "NC1=NCC2c3ccccc3Cc3ccccc3N12", + "atc_code": "S01GX10 | R06AX24" + }, + "CHEMBL4297513_approved": { + "title": "IBREXAFUNGERP", + "synonyms": [ + "IBREXAFUNGERP", + "MK 3118", + "MK-3118", + "MK-3118 FREE BASE", + "MK3118", + "SCY-078" + ], + "smiles": "CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n4ncnc4-c4ccncc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O", + "atc_code": "J02AX07" + }, + "CHEMBL4297610_approved": { + "title": "OLUTASIDENIB", + "synonyms": [ + "FT-2102", + "OLUTASIDENIB", + "REZLIDHIA" + ], + "smiles": "C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O", + "atc_code": null + }, + "CHEMBL1676_approved": { + "title": "FLUTICASONE FUROATE", + "synonyms": [ + "ALLERMIST", + "ARNUITY ELLIPTA", + "Avamys", + "ENNHALE", + "FLONASE SENSIMIST ALLERGY RELIEF", + "FLUTICASONE FUROATE", + "FURAMIST", + "GSK 685 698", + "GSK-685968", + "GSK685968", + "GW-685698X", + "GW685698X", + "RELVAR ELLIPTA", + "TRELEGY ELLIPTA", + "VERAMYST" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF", + "atc_code": "R01AD12 | R03BA09" + }, + "CHEMBL973_approved": { + "title": "TERIFLUNOMIDE", + "synonyms": [ + "A77 1726", + "AUBAGIO", + "HMR-1726", + "HMR1726", + "LEFLUNOMIDE RELATED COMPOUND B", + "LEFLUNOMIDE RELATED COMPOUND B RS", + "TERIFLUNOMIDE", + "Teriflunomide Mylan" + ], + "smiles": "C/C(O)=C(\\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1", + "atc_code": "L04AA31" + }, + "CHEMBL1623_approved": { + "title": "MECLIZINE", + "synonyms": [ + "MECLIZINE", + "MECLOZINE", + "Meclizine", + "NSC-169189" + ], + "smiles": "Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1", + "atc_code": "R06AE55 | R06AE05" + }, + "CHEMBL902_approved": { + "title": "FAMOTIDINE", + "synonyms": [ + "AMFAMOX", + "FADUL", + "FAMODIL", + "FAMOSAN", + "FAMOTIDINE", + "FAMOTIDINE PRESERVATIVE FREE", + "FAMOTIDINE PRESERVATIVE FREE (PHARMACY BULK)", + "FAMOXAL", + "FLUXID", + "GANOR", + "GASTRIDIN", + "GASTROPEN", + "L 643341", + "LECEDIL", + "MK-208", + "MOTIAX", + "MUCLOX", + "NSC-757810", + "PEPCID", + "PEPCID AC", + "PEPCID PRESERVATIVE FREE", + "PEPCID RPD", + "PEPCIDAC", + "PEPDINE", + "PEPDUL", + "YM-11170" + ], + "smiles": "NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1", + "atc_code": "A02BA03 | A02BA53" + }, + "CHEMBL3707348_approved": { + "title": "ACALABRUTINIB", + "synonyms": [ + "ACALABRUTINIB", + "ACP-196", + "Calquence" + ], + "smiles": "CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12", + "atc_code": "L01EL02" + }, + "CHEMBL1738_approved": { + "title": "DEXRAZOXANE", + "synonyms": [ + "ADR-529", + "CARDIOXANE", + "DEXRAZOXANE", + "Dexrazoxane", + "ICRF-187", + "NSC-169780", + "RAZOXANE, (S)-", + "RAZOXANE, D-" + ], + "smiles": "C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1", + "atc_code": "V03AF02" + }, + "CHEMBL689_approved": { + "title": "MANNITOL", + "synonyms": [ + "ARIDOL KIT", + "Alexitol sodium", + "Bronchitol", + "CORDYCEPIC ACID", + "CRYSTALLINE MANNITOL EXTRA-FINE", + "CRYSTALLINE MANNITOL FINE", + "CRYSTALLINE MANNITOL STANDARD", + "D-(-)-MANNITOL", + "D-MANNITOL", + "Diosmol", + "E-421", + "E421", + "INS NO.421", + "INS-421", + "ISOMALT IMPURITY, MANNITOL-", + "MANNA SUGAR", + "MANNITE", + "MANNITOL", + "MANNITOL 200", + "MANNITOL 2080", + "MANNITOL 25", + "MANNITOL 300", + "MANNITOL 35", + "MANNITOL 60", + "MANNITOL M300", + "MANNITOL, D-", + "MANNITOLUM", + "MANNOGEM 2080", + "Mannite", + "Mannitol", + "NSC-407017", + "Osmitrol", + "PEARLITOL 160 C", + "PEARLITOL 200 SD", + "PEARLITOL 25 C", + "PEARLITOL 300 DC", + "PEARLITOL 50 C", + "RESECTISOL" + ], + "smiles": "OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO", + "atc_code": "B05CX04 | B05BC01 | A06AD16 | R05CB16 | V04CX04" + }, + "CHEMBL1201256_approved": { + "title": "TRIMETHOBENZAMIDE", + "synonyms": [ + "AMETIK DAMLA", + "TRIMETHOBENZAMIDE" + ], + "smiles": "COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC", + "atc_code": "R06AA10" + }, + "CHEMBL1200718_approved": { + "title": "MAGNESIUM HYDROXIDE", + "synonyms": [ + "CREMAFFIN", + "CRM OF MAGNESIA", + "E-528", + "E528", + "Hydro-Magna", + "INS NO.528", + "INS-528", + "MAGNESIA MAGMA", + "MAGNESIA, [MILK OF]", + "MAGNESII HYDROXIDUM", + "MAGNESIUM (AS HYDROXIDE)", + "MAGNESIUM HYDROXIDE", + "MIL-PAR", + "MILK OF MAGNESIA", + "Magnalax", + "PHILLIPS MILK OF MAGNESIA" + ], + "smiles": "[Mg+2].[OH-].[OH-]", + "atc_code": "G04BX01 | A02AA04" + }, + "CHEMBL1200622_approved": { + "title": "PARICALCITOL", + "synonyms": [ + "COMPOUND 49510", + "COMPOUND-49510", + "PARICALCITOL", + "ZEMPLAR" + ], + "smiles": "C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C", + "atc_code": "H05BX02" + }, + "CHEMBL810_approved": { + "title": "TEMOZOLOMIDE", + "synonyms": [ + "CCRG-81045", + "M&B 39831", + "M&B-39831", + "M-39831", + "METHAZOLASTONE", + "MK-7365", + "NSC-362856", + "SCH 52365", + "SCH-52365", + "TEMODAR", + "TEMOMEDAC", + "TEMOZOLOMIDE", + "Temodal" + ], + "smiles": "Cn1nnc2c(C(N)=O)ncn2c1=O", + "atc_code": "L01AX03" + }, + "CHEMBL617_approved": { + "title": "CEPHALOTHIN", + "synonyms": [ + "CEFALOTIN", + "Cephalothin", + "Seffin" + ], + "smiles": "CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1", + "atc_code": "J01DB03" + }, + "CHEMBL38_approved": { + "title": "TRETINOIN", + "synonyms": [ + "ABEREL", + "ACTICIN", + "ALL-TRANS RETINOIC ACID", + "ALL-TRANS-RETINOIC ACID", + "ALTRENO", + "ATRALIN", + "AVITA", + "EUDYNA", + "KERLOCAL", + "NSC-122758", + "ORISTAR RNA", + "RENOVA", + "RETIN A", + "RETIN-A", + "RETIN-A MICRO", + "RETIN-A-MICRO", + "RETINOIC ACID", + "TRETINOIN", + "Tretin-X", + "VESANOID" + ], + "smiles": "CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1", + "atc_code": "D10AD51 | L01XF01 | D10AD01" + }, + "CHEMBL3039507_approved": { + "title": "SOTAGLIFLOZIN", + "synonyms": [ + "INPEFA", + "LP-802034", + "LX-4211", + "LX4211", + "SAR-439954", + "SAR439954", + "SOTAGLIFLOZIN", + "Zynquista" + ], + "smiles": "CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1", + "atc_code": "A10BK06" + }, + "CHEMBL1201281_approved": { + "title": "CHLORAMPHENICOL SUCCINIC ACID", + "synonyms": [ + "Chloramphenicol succinate" + ], + "smiles": "O=C(O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1", + "atc_code": null + }, + "CHEMBL1766_approved": { + "title": "DESOXIMETASONE", + "synonyms": [ + "A-41-304", + "A-41304", + "DESOXIMETASONE", + "DESOXYMETHASONE", + "HOE 304", + "HOE-304", + "J83.644C", + "NSC-759189", + "R 2113", + "R-2113", + "STIEDEX", + "STIEDEX LP", + "STIEDEX LPN", + "TOPICORT", + "TOPICORT LP" + ], + "smiles": "C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO", + "atc_code": "D07AC03 | D07XC02" + }, + "CHEMBL3127326_approved": { + "title": "OMBITASVIR", + "synonyms": [ + "ABT-267", + "OMBITASVIR" + ], + "smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C", + "atc_code": null + }, + "CHEMBL564_approved": { + "title": "PROMAZINE", + "synonyms": [ + "COMBELEN", + "NSC-31447", + "PROMAZINE", + "Promazine" + ], + "smiles": "CN(C)CCCN1c2ccccc2Sc2ccccc21", + "atc_code": "N05AA03" + }, + "CHEMBL4204794_approved": { + "title": "AVAPRITINIB", + "synonyms": [ + "70C366", + "AVAPRITINIB", + "AYVAKIT", + "Ayvakyt", + "BLU-285", + "C-366", + "X-720776", + "X720776" + ], + "smiles": "Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1", + "atc_code": "L01EX18" + }, + "CHEMBL2103875_approved": { + "title": "TRAMETINIB", + "synonyms": [ + "GSK-1120212", + "GSK1120212", + "JTP 74057", + "JTP-74057", + "MEKINIST", + "TMT-212", + "TMT212", + "TRAMETINIB" + ], + "smiles": "CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1", + "atc_code": "L01EE01" + }, + "CHEMBL25202_approved": { + "title": "TAMIBAROTENE", + "synonyms": [ + "AM-80", + "AMNOID", + "Am80", + "INNO-507", + "NSC-608000", + "OP-01", + "RR-110", + "SY-1425", + "TAMIBAROTENE", + "TM-411", + "TOS-80T" + ], + "smiles": "CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21", + "atc_code": null + }, + "CHEMBL548_approved": { + "title": "DINOPROSTONE", + "synonyms": [ + "CERVIDIL", + "DINOPROSTONE", + "DINOPROSTONE BETA-CYCLODEXTRIN CLATHRATE", + "ENZAPROST E", + "MINPROSTIN E2", + "NSC-165560", + "NSC-196514", + "PREPIDIL", + "PROPESS", + "PROSTAGLANDIN E2", + "PROSTIN E2", + "U-12,062", + "U-12062" + ], + "smiles": "CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\\CCCC(=O)O", + "atc_code": "G02AD02" + }, + "CHEMBL1503_approved": { + "title": "OMEPRAZOLE", + "synonyms": [ + "Antra", + "H 168/68", + "H-168/68", + "LOSEC", + "LOSEC MUPS", + "MEZZOPRAM", + "MOPRAL", + "NSC-751450", + "NSC-759192", + "OMEPRAZOLE", + "OMERAN", + "PRILOSEC", + "ZANPROL" + ], + "smiles": "COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1", + "atc_code": "A02BC01" + }, + "CHEMBL1201341_approved": { + "title": "ECHOTHIOPHATE", + "synonyms": [ + "ECHOTHIOPHATE CATION", + "ECHOTHIOPHATE ION", + "ECOTHIOPATE", + "ECOTHIOPATE CATION", + "Echothiophate" + ], + "smiles": "CCOP(=O)(OCC)SCC[N+](C)(C)C", + "atc_code": "S01EB03" + }, + "CHEMBL485_approved": { + "title": "CODEINE", + "synonyms": [ + "CODEINE", + "CODEINE MONOHYDRATE", + "CODEINUM", + "CODEINUM MONOHYDRICUM", + "Codeine", + "DEA NO. 9050", + "IDS-NC-005(SECT.-2)" + ], + "smiles": "COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341", + "atc_code": "N02AA59 | N02AA79 | R05DA04" + }, + "CHEMBL1201146_approved": { + "title": "NORETHINDRONE ACETATE", + "synonyms": [ + "AYGESTIN", + "NORETHIDRONE ACETATE", + "NORETHINDRONE ACETATE", + "NORETHISTERON ACETATE", + "NORETHISTERONE 17-ACETATE", + "NORETHISTERONE ACETATE", + "NORETHISTERONI ACETAS", + "NORETHYNYLTESTOSTERONE", + "NORLUTATE", + "NORLUTIN ACETATE", + "NSC-22844", + "SH-420" + ], + "smiles": "C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C", + "atc_code": null + }, + "CHEMBL21_approved": { + "title": "SULFANILAMIDE", + "synonyms": [ + "ANILINE-P-SULFONIC AMIDE", + "NSC-7618", + "P-AMINOBENZENESULFAMIDE", + "P-AMINOBENZENESULFONAMIDE", + "PRONTOSIL I", + "PRONTYLIN", + "STREPTOCID", + "SULFAMINE", + "SULFANILAMIDE", + "SULFONAMIDE", + "SULPHANILAMIDUM", + "Sulfanilamide" + ], + "smiles": "Nc1ccc(S(N)(=O)=O)cc1", + "atc_code": "D06BA05 | J01EB06" + }, + "CHEMBL434_approved": { + "title": "ISOPROTERENOL", + "synonyms": [ + "A-21", + "ALEUDRIN", + "ALUDRINE", + "ASIPRENOL", + "ASMALAR", + "ASSIPRENOL", + "BELLASTHMAN", + "ISONORIN", + "ISOPRENALINE", + "ISOPROPYDRIN", + "ISOPROTERENOL", + "ISOPROTERENOL DL-FORM", + "ISORENIN", + "ISUPREN", + "Isoproterenol", + "NEO-EPININE", + "NEODRENAL", + "NOVODRIN", + "NSC-33791", + "NSC-9975", + "PROTERNOL", + "RESPIFRAL", + "SAVENTRINE", + "VAPO-N-ISO" + ], + "smiles": "CC(C)NCC(O)c1ccc(O)c(O)c1", + "atc_code": "C01CA02 | R03CB51 | R03AB02 | R03CB01" + }, + "CHEMBL1076903_approved": { + "title": "VARENICLINE", + "synonyms": [ + "CP-526,555", + "CP-526555", + "VARENICLINE" + ], + "smiles": "c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1", + "atc_code": "N07BA03 | S01XA28" + }, + "CHEMBL1104_approved": { + "title": "EDROPHONIUM", + "synonyms": [ + "EDROPHONIUM", + "EDROPHONIUM CATION", + "EDROPHONIUM ION", + "ENLON-PLUS", + "Edrophonium", + "Enlon", + "Reversol", + "Tensilon" + ], + "smiles": "CC[N+](C)(C)c1cccc(O)c1", + "atc_code": "V04CX07" + }, + "CHEMBL3707372_approved": { + "title": "VOXILAPREVIR", + "synonyms": [ + "GS-9857", + "VOXILAPREVIR" + ], + "smiles": "CC[C@@H]1[C@@H]2CN(C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]3C[C@H]3CCCCC(F)(F)c3nc4ccc(OC)cc4nc3O2)[C@@H]1C(=O)N[C@]1(C(=O)NS(=O)(=O)C2(C)CC2)C[C@H]1C(C)C", + "atc_code": null + }, + "CHEMBL404849_approved": { + "title": "SULOCTIDIL", + "synonyms": [ + "BEMPERIL", + "CEREBRO", + "CIRCLETON", + "CP-556S", + "DULASI", + "DULOCTIL", + "EUVASAL", + "FLUVERSIN", + "FLUVISCO", + "HEMOANTIN", + "IANGENE", + "LOCTIDON", + "LOCTON", + "MJF 12637", + "MJF-12637", + "OCTAMET", + "POLIVASAL", + "SUDIL", + "SULOCTIDIL", + "SULOCTON", + "SULODENE" + ], + "smiles": "CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1", + "atc_code": "C04AX19" + }, + "CHEMBL29_approved": { + "title": "BENZYLPENICILLIN", + "synonyms": [ + "BENZYL PENICILLIN", + "BENZYLPENICILLIN", + "BENZYLPENICILLIN ", + "Benzylpenicillin", + "Bicillin", + "CRYSTAPEN G", + "J01CE01", + "NSC-193396", + "PENICILLIN G", + "Penicillin G", + "Penicillin-2", + "Permapen", + "Pfizerpen-AS" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CE01 | S01AA14" + }, + "CHEMBL3039514_approved": { + "title": "ELBASVIR", + "synonyms": [ + "ELBASVIR", + "MK-8742" + ], + "smiles": "COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C", + "atc_code": "J05AP10" + }, + "CHEMBL1201116_approved": { + "title": "HETACILLIN", + "synonyms": [ + "BL-P 804", + "BL-P-804", + "BLP-804", + "BRL-804", + "HETACILLIN", + "HETACILLIN ACID", + "Hetacin", + "Natacillin", + "VERSAPEN" + ], + "smiles": "CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O", + "atc_code": "J01CA18" + }, + "CHEMBL494753_approved": { + "title": "ESTRONE SULFURIC ACID", + "synonyms": [ + "Estrone Sulphate" + ], + "smiles": "C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O", + "atc_code": null + }, + "CHEMBL294199_approved": { + "title": "CAPSAICIN", + "synonyms": [ + "ALGRX 4975", + "ALGRX-4975", + "AUSANIL", + "AXSAIN", + "CAPSAICIN", + "CAPZASIN-HP", + "CNTX-4975", + "DOLENON", + "FEMA NO. 3404", + "MIOTON", + "NGX-1998", + "NGX-4010", + "NSC-56353", + "OVOCAP", + "Qutenza", + "RATDEN PE 40", + "TOGARASHI ORENJI", + "TRANS-CAPSAICIN", + "ZACIN", + "ZOSTRIX", + "ZOSTRIX HP" + ], + "smiles": "COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O", + "atc_code": "N01BX04 | M02AB01" + }, + "CHEMBL14376_approved": { + "title": "ILOPERIDONE", + "synonyms": [ + "FANAPT", + "HP 873", + "HP-873", + "ILOPERIDONE" + ], + "smiles": "COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1", + "atc_code": "N05AX14" + }, + "CHEMBL593_approved": { + "title": "DELAVIRDINE", + "synonyms": [ + "DELAVIRDINE", + "Delavirdine", + "U-90152" + ], + "smiles": "CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1", + "atc_code": "J05AG02" + }, + "CHEMBL1200572_approved": { + "title": "MAGNESIUM OXIDE", + "synonyms": [ + "E-530", + "E530", + "HEAVY MAGNESIUM OXIDE", + "INS NO.530", + "INS-530", + "LIGHT MAGNESIUM OXIDE", + "MAG OX", + "MAG-OX 400", + "MAGDOSE", + "MAGNESIA", + "MAGNESIA OXYDATA", + "MAGNESII OXIDUM", + "MAGNESIUM (AS OXIDE)", + "MAGNESIUM OXIDE", + "MAGNESIUM OXIDE HEAVY", + "MAGNESIUM OXIDE, HEAVY", + "MAGNESIUM OXIDE, LIGHT", + "MAGSTAR", + "OROMAG 160", + "OXIMAG", + "URO-MAG" + ], + "smiles": "O=[Mg]", + "atc_code": "A02AA02 | A12CC10 | A06AD02" + }, + "CHEMBL1200335_approved": { + "title": "TESTOSTERONE ENANTHATE", + "synonyms": [ + "ANDROTARDYL", + "DELATESTRYL", + "NSC-17591", + "PRIMOTESTON DEPOT", + "TESTOSTERONE ENANTATE", + "TESTOSTERONE ENANTHATE", + "TESTOSTERONE ENANTHATE CIII", + "TESTOSTERONE HEPTANOATE", + "TESTOSTERONI ENANTAS", + "XYOSTED", + "XYOSTED (AUTOINJECTOR)" + ], + "smiles": "CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C", + "atc_code": null + }, + "CHEMBL1289601_approved": { + "title": "LENVATINIB", + "synonyms": [ + "E-7080", + "ER-203492-00", + "KISPLYX", + "LENVATINIB", + "LENVIMA" + ], + "smiles": "COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O", + "atc_code": "L01EX08" + }, + "CHEMBL595_approved": { + "title": "PIOGLITAZONE", + "synonyms": [ + "AD-4833", + "Actos", + "Duetact", + "GLUSTIN", + "PIOGLITAZONE", + "U-72107", + "ZACTOS" + ], + "smiles": "CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1", + "atc_code": "A10BG03" + }, + "CHEMBL1201747_approved": { + "title": "ALCAFTADINE", + "synonyms": [ + "ALCAFTADINE", + "LASTACAFT", + "R 89674", + "R-89674" + ], + "smiles": "CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1", + "atc_code": "S01GX11" + }, + "CHEMBL19_approved": { + "title": "METHAZOLAMIDE", + "synonyms": [ + "L-584601", + "METHAZOLAMIDE", + "METHENAMIDE", + "Methazolamide", + "NEPTAZANE", + "NEPTAZANEAT", + "NSC-758426", + "VVP-808", + "VVP808" + ], + "smiles": "CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C", + "atc_code": "S01EC05" + }, + "CHEMBL940_approved": { + "title": "GABAPENTIN", + "synonyms": [ + "CI-945", + "DM-1796", + "GABAPENTIN", + "GOE 3450", + "GOE-3450", + "GRALISE", + "NEURONTIN", + "NSC-742194", + "NSC-759254" + ], + "smiles": "NCC1(CC(=O)O)CCCCC1", + "atc_code": "N02BF01" + }, + "CHEMBL1200539_approved": { + "title": "CALCIUM CARBONATE", + "synonyms": [ + "ADCAL", + "Albacar", + "CACIT", + "CALC 500", + "CALCETTE", + "CALCICHEW", + "CALCICHEW FTE", + "CALCIDRINK", + "CALCII CARBONAS", + "CALCITE", + "CALCITE (CA(CO3))", + "CALCITUM", + "CALCIUM (AS CALCIUM CARBONATE)", + "CALCIUM (AS CARBONATE)", + "CALCIUM CARBONATE", + "CHALK", + "CHALK, PRECIPITATED", + "CI 77220", + "CITRICAL", + "Cal-Sup", + "E-170(I)", + "E170", + "GLAUBERITUM", + "HAN SHUI SHI", + "HYDROLYZED PEARL", + "INS NO.170(I)", + "INS-170(I)", + "LIMESTONE", + "LIMESTONE, GROUND", + "MARBLE DUST", + "NDI 443", + "OS-CAL", + "PHX CAL-CARB BUFFER", + "PRECIPITATED CALCIUM CARBONATE", + "PRECPITATED CALCIUM CARBONATE", + "Precipitated Calcium Carbonate", + "Purecal", + "REMEGEL", + "RENNIE", + "RENNIE FRUIT", + "RENNIE GOLD", + "SETLERS", + "TITRALAC", + "TUMS" + ], + "smiles": "O=C([O-])[O-].[Ca+2]", + "atc_code": "A02AC01 | A12AA04" + }, + "CHEMBL1324_approved": { + "title": "TOLCAPONE", + "synonyms": [ + "RO 40-7592", + "RO-40-7592", + "RO-407592", + "TOLCAPONE", + "Tasmar" + ], + "smiles": "Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1", + "atc_code": "N04BX01" + }, + "CHEMBL2105695_approved": { + "title": "TELOTRISTAT ETHYL", + "synonyms": [ + "LX 1032", + "LX 1606", + "LX-1032", + "LX-1606", + "LX1032", + "LX1606", + "TELOTRISTAT ETHYL", + "XERMELO" + ], + "smiles": "CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1", + "atc_code": null + }, + "CHEMBL1732_approved": { + "title": "DIHYDROERGOTAMINE", + "synonyms": [ + "9,10-DIHYDROERGOTAMINE", + "DIHYDROERGOTAMINE", + "Dihydroergotamine", + "MAP-0004", + "MAP0004", + "NEOMIGRAN" + ], + "smiles": "CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21", + "atc_code": "N02CA01 | N02CA51" + }, + "CHEMBL168815_approved": { + "title": "CEVIMELINE", + "synonyms": [ + "CEVIMELINE" + ], + "smiles": "CC1OC2(CS1)CN1CCC2CC1", + "atc_code": "N07AX03" + }, + "CHEMBL100116_approved": { + "title": "PENTAZOCINE", + "synonyms": [ + "DL-PENTAZOCINE", + "NIH-7958", + "NSC-107430", + "PENTAZOCINE", + "PENTAZOCINE CIV", + "WIN 20,228", + "WIN-20228" + ], + "smiles": "CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C", + "atc_code": "N02AD01" + }, + "CHEMBL563_approved": { + "title": "FLURBIPROFEN", + "synonyms": [ + "ANSAID", + "BTS 18,322", + "BTS-18322", + "CEBUTID", + "FLUBIPROFEN", + "FLURBIPROFEN", + "FROBEN", + "FROBEN SR", + "NSC-757037", + "Ocufen", + "STREFEN", + "TRANSACT", + "U-27,182", + "U-27182" + ], + "smiles": "CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1", + "atc_code": "M02AA19 | S01BC04 | M01AE09 | R02AX01" + }, + "CHEMBL1200928_approved": { + "title": "ZINC ACETATE ANHYDROUS", + "synonyms": [ + "ACETIC ACID, ZINC(II) SALT", + "ANHYDROUS ZINC ACETATE", + "E650", + "Galzin", + "NSC-75801", + "ZINC ACETATE ANHYDROUS", + "ZINCUM ACETICUM", + "Zinc acetate" + ], + "smiles": "CC(=O)[O-].CC(=O)[O-].[Zn+2]", + "atc_code": null + }, + "CHEMBL441_approved": { + "title": "THIOPENTAL", + "synonyms": [ + "THIOPENTAL", + "THIOPENTAL CIII", + "Thiopental" + ], + "smiles": "CCCC(C)C1(CC)C(=O)NC(=S)NC1=O", + "atc_code": "N01AF03 | N05CA19" + }, + "CHEMBL1237_approved": { + "title": "LISINOPRIL ANHYDROUS", + "synonyms": [ + "LISINOPRIL ANHYDROUS" + ], + "smiles": "NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O", + "atc_code": null + }, + "CHEMBL734_approved": { + "title": "ACETOHYDROXAMIC ACID", + "synonyms": [ + "ACETOHYDROXAMIC ACID", + "LITHOSTAT", + "NSC-176136" + ], + "smiles": "CC(=O)NO", + "atc_code": "G04BX03" + }, + "CHEMBL472_approved": { + "title": "GLYBURIDE", + "synonyms": [ + "Amglidia", + "CALABREN", + "CIRARA", + "DAONIL", + "DIABETA", + "DIABETAMIDE 2.5", + "DIABETAMIDE 5", + "EUGLUCON", + "GLIBENCLAMIDE", + "GLIBENCLAMIDUM", + "GLIKEN", + "GLYBENCLAMIDE", + "GLYBURIDE", + "GLYBURIDE (MICRONIZED)", + "GLYNASE", + "Glynase PresTab", + "HB 419", + "HB-419", + "LEDERGLIB", + "LIBANIL", + "MALIX", + "MICRONASE", + "NSC-759618", + "SEMI-DAONIL", + "U-26,45", + "U-26,452", + "U-26452" + ], + "smiles": "COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1", + "atc_code": "A10BB01" + }, + "CHEMBL572_approved": { + "title": "NITROFURANTOIN", + "synonyms": [ + "BERKFURIN", + "CEDURAN", + "Dantafur", + "FURADANTIN", + "FURALAN", + "GENFURA", + "Ivadantin", + "MACROBID", + "MACRODANTIN", + "NITROFURANTOIN", + "NITROFURANTOIN (MONOHYDRATE/MACROCRYSTALS)", + "NITROFURANTOIN ANHYDROUS", + "NITROFURANTOIN MACROCRYSTAL", + "NITROFURANTOIN MACROCRYSTALLINE", + "NITROFURANTOIN, MACROCRYSTALS", + "NITROFURANTOINUM ANHYDROUS", + "NSC-2107", + "NSC-44150", + "Nitrofurantoin" + ], + "smiles": "O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1", + "atc_code": "J01XE01 | J01XE51" + }, + "CHEMBL1201758_approved": { + "title": "BEPOTASTINE", + "synonyms": [ + "BEPOTASTINE", + "BEPREVE", + "BETOTASTINE" + ], + "smiles": "O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1", + "atc_code": null + }, + "CHEMBL1201891_approved": { + "title": "DEFLAZACORT", + "synonyms": [ + "CALCORT", + "DEFLAZACORT", + "EMFLAZA", + "MDL 458", + "MDL-458", + "MDL458", + "ZAMENE" + ], + "smiles": "CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C", + "atc_code": "H02AB13" + }, + "CHEMBL1201202_approved": { + "title": "FONDAPARINUX", + "synonyms": [ + "FONDAPARINUX", + "Fondaparinux" + ], + "smiles": "CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1NS(=O)(=O)O", + "atc_code": "B01AX05" + }, + "CHEMBL4582651_approved": { + "title": "PRALSETINIB", + "synonyms": [ + "BLU-123244", + "BLU-667", + "BLU123244", + "Gavreto", + "PRALSETINIB", + "X-581238", + "X581238" + ], + "smiles": "CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1", + "atc_code": "L01EX23" + }, + "CHEMBL1272_approved": { + "title": "REPAGLINIDE", + "synonyms": [ + "A10BX02", + "AG-EE 623 ZW", + "AG-EE-623-ZW", + "AG-EE-623ZW", + "AGEE-623ZW", + "ENYGLID", + "NOVONORM", + "NSC-759893", + "PRANDIN", + "Prandin", + "REPAGLINIDE", + "Repaglinide Krka" + ], + "smiles": "CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O", + "atc_code": "A10BX02" + }, + "CHEMBL1201304_approved": { + "title": "INDOCYANINE GREEN ACID FORM", + "synonyms": [ + "CRYSTA-LYN 551522", + "Indocyanine Green", + "NK 5078", + "NK-5078" + ], + "smiles": "CC1(C)C(/C=C/C=C/C=C/C=C2\\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21", + "atc_code": "V04CX01" + }, + "CHEMBL2028019_approved": { + "title": "CARIPRAZINE", + "synonyms": [ + "CARIPRAZINE", + "FRI-7000188", + "GED-129", + "MP-214", + "REAGILA", + "RGH-188" + ], + "smiles": "CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1", + "atc_code": "N05AX15" + }, + "CHEMBL108545_approved": { + "title": "METHYL SALICYLATE", + "synonyms": [ + "ASPELLIN", + "BALMOSA", + "BENGUE'S BALSAM", + "BETULA OIL", + "BIRCH OIL, SWEET", + "DEEP HEAT", + "DUBAM", + "FEMA NO. 2154", + "FEMA NO. 2745", + "FEMA NO. 3113", + "FLAVOR,WINTERGREEN", + "GAULTHERIA OIL", + "GPPE LIN", + "GPPE RUB", + "LUMA", + "METHYL SALICYLATE", + "METHYL SALICYLATE,SYNTHETIC", + "Methyl salicylate", + "NASCIODINE", + "NSC-8204", + "P.R.", + "RADIAN-B", + "Rhodiaflor", + "SLOANS", + "SWEET BIRCH OIL", + "TEABERRY OIL", + "THERA-GESIC", + "WINTERGREEN OIL" + ], + "smiles": "COC(=O)c1ccccc1O", + "atc_code": null + }, + "CHEMBL464_approved": { + "title": "ETRETINATE", + "synonyms": [ + "ACITRETIN RELATED COMPOUND B", + "ETHYL ETRINOATE", + "ETRETINATE", + "NSC-297936", + "RO 10-9359", + "RO-10-9359", + "RO-109359", + "TEGISON", + "TIGASON" + ], + "smiles": "CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C", + "atc_code": "D05BB01" + }, + "CHEMBL1201185_approved": { + "title": "LANREOTIDE", + "synonyms": [ + "ANGIOPEPTIN", + "LANREOTIDE", + "SOMATULINE AUTOGEL", + "SOMATULINE LA" + ], + "smiles": "CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O", + "atc_code": "H01CB03" + }, + "CHEMBL386630_approved": { + "title": "TESTOSTERONE", + "synonyms": [ + "ANDRODERM", + "ANDROGEL", + "ANDROID-T", + "ANDROLAN", + "ANDROPATCH", + "AXIRON", + "Androgel 1%", + "Delatestryl", + "FORTESTA", + "HOMOSTERONE", + "Intrinsa", + "LIVENSA", + "NATESTO", + "NSC-9700", + "STRIANT", + "STRIANT SR", + "TESTICULOSTERONE", + "TESTIM", + "TESTODERM", + "TESTODERM TTS", + "TESTOGEL", + "TESTOPATCH", + "TESTOPEL", + "TESTORAL", + "TESTOSTERONE", + "TESTOSTERONE CIII", + "TOSTRAN", + "Testim 1%", + "Testosterone", + "VIROSTERONE", + "VOGELXO" + ], + "smiles": "C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O", + "atc_code": "G03BA03" + }, + "CHEMBL142438_approved": { + "title": "NITROGEN", + "synonyms": [ + "DINITROGEN", + "E-941", + "E941", + "INS NO.941", + "INS-941", + "MOLECULAR NITROGEN", + "NITROGEN", + "NITROGEN (N2)", + "NITROGEN GAS", + "NITROGEN, LIQUID", + "Nitrogen" + ], + "smiles": "N#N", + "atc_code": "V03AN04" + }, + "CHEMBL3306803_approved": { + "title": "LUMATEPERONE", + "synonyms": [ + "ITI 007", + "ITI-007", + "ITI-722", + "ITI007", + "LUMATEPERONE" + ], + "smiles": "CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12", + "atc_code": "N05AD10" + }, + "CHEMBL926_approved": { + "title": "DOBUTAMINE", + "synonyms": [ + "COMPOUND 81929", + "COMPOUND-81929", + "DL-DOBUTAMINE", + "DOBUTAMINE", + "Dobutamine", + "Dobutrex", + "RACEMIC DOBUTAMINE" + ], + "smiles": "CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1", + "atc_code": "C01CA07" + }, + "CHEMBL811_approved": { + "title": "BROMPHENIRAMINE", + "synonyms": [ + "BPN", + "BROMPHENIRAMINE", + "BROTANE", + "Bromfed", + "Bromfenex", + "Brompheniramine", + "Dimetane", + "Dimetapp", + "Lodrane" + ], + "smiles": "CN(C)CCC(c1ccc(Br)cc1)c1ccccn1", + "atc_code": "R06AB51 | R06AB01" + }, + "CHEMBL509_approved": { + "title": "MECLOFENAMIC ACID", + "synonyms": [ + "CI-583", + "CL-583", + "INF 4668", + "INF-4668", + "MECLOFENAMATE", + "MECLOFENAMIC ACID", + "Meclodium", + "Meclofenamate", + "Meclomen", + "NSC-95309" + ], + "smiles": "Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl", + "atc_code": "M01AG04 | M02AA18" + } +} \ No newline at end of file