Pubchem CID
int64 28.3M
56.5M
| SMILES
stringlengths 3
1.87k
|
|---|---|
56,460,974 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC4=C(C=C3)OCO4 |
56,460,975 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCSCC3=CC=CC=C3F |
56,460,976 | CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,977 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4 |
56,460,978 | C1CN(CCN1C(=O)C2=CC=CC(=C2)CN3CCOCC3)S(=O)(=O)CC4=CC=CC=C4 |
56,460,979 | C1CC2(CCC1C(=O)NC3=C(C=CC(=C3)Br)N4CCOCC4)C(=O)NC(=O)N2 |
56,460,980 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)Br)N4CCOCC4 |
56,460,981 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCSC3=CC=CC=C3 |
56,460,982 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC(=C(C(=C3)OC)OC)OC |
56,460,983 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CN(N=C3)C4=CC=CC=C4 |
56,460,984 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=CC=C3CN4CCCCC4 |
56,460,985 | CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CSC(=N3)C |
56,460,986 | C1CC2(CCC1C(=O)NCCC3=CC4=C(C(=C3)Cl)OCCO4)C(=O)NC(=O)N2 |
56,460,987 | CCCN(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C2CCC3(CC2)C(=O)NC(=O)N3 |
56,460,988 | C1CN(CCC1C2=NN=C3N2C=CC=C3)C(=O)C4=CC=CC(=C4)CN5CCOCC5 |
56,460,989 | CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,460,990 | C1CC2(CCC1C(=O)NC3=CC=CC=C3OC4=CC=CC=C4Cl)C(=O)NC(=O)N2 |
56,460,991 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)COCC(F)(F)F |
56,460,992 | CCC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,993 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC4=CC=CO4 |
56,460,994 | CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4 |
56,460,995 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)SC4=NN=CN4C |
56,460,996 | CCOC(=O)C1=NN(C(C1)C(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)C4=CC=CC=C4 |
56,460,997 | CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2CCC3(CC2)C(=O)NC(=O)N3 |
56,460,998 | CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,460,999 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCC(C3)C(=O)N4CCOCC4 |
56,461,000 | C1CC(CN(C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3)C(=O)N4CCOCC4 |
56,461,001 | C1COCCN1CC2=CC(=CC=C2)C(=O)NCC3CC4C5=CC=CC=C5C3C6=CC=CC=C46 |
56,461,002 | C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3CCC4(CC3)C(=O)NC(=O)N4 |
56,461,003 | COC1=C(C=CC(=C1)CNC(=O)C2=CC=CC(=C2)CN3CCOCC3)OCC4=CC=CC=C4 |
56,461,004 | C1CC2(CCC1C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)C(=O)NC(=O)N2 |
56,461,005 | CC(C1=C(C=C(C=C1)Cl)Cl)N(C)C(=O)C2=CC=CC(=C2)CN3CCOCC3 |
56,461,006 | CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2CC3=CC=CC=C3CN2C(=O)CC(C)C)C |
56,461,007 | CC(C)(C)OC(=O)N1CCC(CC1)N2C=CC=C2C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=NC=C4 |
56,461,008 | C1CC2(CCC1C(=O)NC3=C(C=CC(=C3)Cl)NS(=O)(=O)C4=CC=CC=C4F)C(=O)NC(=O)N2 |
56,461,009 | COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |
56,461,010 | CN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,461,011 | CCOC(=O)C1=NN(C(C1)C(=O)N(C)C(C)C2=CC=CC=C2OC)C3=CC=CC=C3 |
56,461,012 | CC1=CC(=C(C=C1)C)S(=O)(=O)NCCNC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,013 | C1CC2(CCC1C(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)NC(=O)N2 |
56,461,014 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl |
56,461,015 | COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4 |
56,461,016 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(C3=CSC=C3)N(C)C |
56,461,017 | C1CN(CCN1C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C(=O)C4=CC(=C(C=C4)F)F |
56,461,018 | C1CN(CCN1C(=O)/C=C(\C2=CC=CC=C2)/C(F)(F)F)C(=O)C3=CC=C(C=C3)C(F)(F)F |
56,461,019 | C1CC2(CCC1C(=O)NC3=CC=CC(=C3)COC4=CC(=CC=C4)F)C(=O)NC(=O)N2 |
56,461,020 | C1COCCN1CC2=CC(=CC=C2)C(=O)NC3=CC=CC(=C3)COC4=CC(=CC=C4)F |
56,461,021 | CC(C1=CC(=CC=C1)NS(=O)(=O)C)NC(=O)C2=CC3=CC=CC=C3N=C2N4CCCC4 |
56,461,022 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC(=CC=C3)NS(=O)(=O)C |
56,461,023 | C1CC2(CCC1C(=O)N3CCC(=CC3)C4=CNC5=C4C=CC(=C5)F)C(=O)NC(=O)N2 |
56,461,024 | CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCC(=CC3)C4=CNC5=C4C=CC(=C5)F |
56,461,025 | C1CN(CCN1C(=O)C2=CC=CC(=C2)CN3CCOCC3)C(=O)C4=CC=CC=C4C(F)(F)F |
56,461,026 | CCOC(=O)COC1=CC=CC(=C1)NC(=O)/C=C(/C2=CC=CC=C2)\C(F)(F)F |
56,461,027 | CC1=NN(C=C1CCCNC(=O)CN(C)C(=O)OC(C)(C)C)C2=CC=CC=C2 |
56,461,028 | CC1=NN(C=C1CCCNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C4=CC=CC=C4 |
56,461,029 | C1=CC2=C(C=C1C(=O)NCC3=CC(=NC=C3)OCC(F)(F)F)NC(=N2)C(F)F |
56,461,030 | CC(C)(C)OC(=O)N(C)CC(=O)NCC1=CC=C(C=C1)COC2=CC=CC=C2 |
56,461,031 | CC(C)OC1=C(C=CC=N1)CNC(=O)C2=CC=CN2C3CCN(CC3)C(=O)OC(C)(C)C |
56,461,033 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32 |
56,461,034 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl |
56,461,035 | CC1=CC(=CC(=C1C)S(=O)(=O)N(C)C)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,036 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl |
56,461,037 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC=C(S2)Br |
56,461,038 | CC1=CC(=C(C=C1)C)C(=O)CCC(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,039 | CC1=C(C=CC(=C1)Br)SCC(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N |
56,461,040 | CCOC1=C(C=C(C=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)OCC |
56,461,041 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)OC |
56,461,042 | CCOC1=C(C=C(C=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)[N+](=O)[O-] |
56,461,043 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC |
56,461,044 | CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N(C)C(C)C3=CC(=CC=C3)S(=O)(=O)N |
56,461,045 | CC(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)N(C)C(C)C2=CC(=CC=C2)S(=O)(=O)N)OC |
56,461,046 | CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)CSC2=NC3=CC=CC=C3S2 |
56,461,047 | C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl |
56,461,048 | CC1=CC(=C(N1C2=CC3=C(C=C2)OCCO3)C)C(=O)NC4=C(C=CC=C4F)N5CCCC5 |
56,461,049 | CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=C(C=CC=C3F)N4CCCC4)C |
56,461,050 | CN1C=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,052 | CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=C(C=CC=C4F)N5CCCC5 |
56,461,053 | CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=C(C=CC=C3F)N4CCCC4 |
56,461,054 | COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=CC=C2F)N3CCCC3)OC |
56,461,055 | CN(C)C1CCCN(C1)C(=O)C2=CN=C(C=C2)OC3=CC(=CC=C3)Br |
56,461,056 | CC1=C(SC(=C1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)N3CCCC(C3)N(C)C |
56,461,057 | CN(C)C1CCCN(C1)C(=O)C2(CCCC2)C3=CC=C(C=C3)Br |
56,461,058 | CN(C)C1CCCN(C1)C(=O)C2=CC=CC=C2SCC(=O)N3CCC4=CC=CC=C43 |
56,461,059 | CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC(C3)N(C)C)Cl |
56,461,060 | CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCC(C3)N(C)C)C |
56,461,061 | CN(C)C1CCCN(C1)C(=O)CCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC |
56,461,062 | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)N(C)C |
56,461,063 | CN(C)C1CCCN(C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4 |
56,461,064 | CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC(C3)N(C)C |
56,461,065 | CN(C)C1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
56,461,066 | CN(C)C1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F |
56,461,067 | CC1=C(C=CC(=C1)Br)SCC(=O)N2CCCC(C2)N(C)C |
56,461,068 | CN(C)C1CCCN(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3OC |
56,461,069 | CN(C)C1CCCN(C1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4 |
56,461,070 | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)N3CCCC(C3)N(C)C |
56,461,071 | CN(C)C1CCCN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F |
56,461,072 | CN(C)C1CCCN(C1)C(=O)C2CC(=O)N(C2)CCC3=CC(=C(C=C3)OC)OC |
56,461,073 | CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C(C2=CC=CC=C2)N3CCCC3 |
56,461,074 | CCCN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F |
56,461,075 | CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F |