Spaces:
Sleeping
Sleeping
| "alert_name","smarts" | |
| "R1 Reactive alkyl halides","[Br,Cl,I][CX4;CH,CH2]" | |
| "R2 Acid halides","[S,C](=[O,S])[F,Br,Cl,I]" | |
| "R3 Carbazides","O=CN=[N+]=[N-]" | |
| "R4 Sulphate esters","COS(=O)O[C,c]" | |
| "R5 Sulphonates","COS(=O)(=O)[C,c]" | |
| "R6 Acid anhydrides","C(=O)OC(=O)" | |
| "R7 Peroxides","OO" | |
| "R8 Pentafluorophenyl esters","C(=O)Oc1c(F)c(F)c(F)c(F)c1(F)" | |
| "R9 Paranitrophenyl esters","C(=O)Oc1ccc(N(=O)~[OX1])cc1" | |
| "R10 esters of HOBT","C(=O)Onnn" | |
| "R11 Isocyanates & Isothiocyanates","N=C=[S,O]" | |
| "R12 Triflates","OS(=O)(=O)C(F)(F)F" | |
| "R13 lawesson's reagent and derivatives","P(=S)(S)S" | |
| "R14 phosphoramides","NP(=O)(N)N" | |
| "R15 Aromatic azides","cN=[N+]=[N-]" | |
| "R16 beta carbonyl quaternary Nitrogen","C(=O)C[N+,n+]" | |
| "R17 acylhydrazide","[N;R0][N;R0]C(=O)" | |
| "R18 Quaternary C, Cl, I, P or S","[C+,Cl+,I+,P+,S+]" | |
| "R19 Phosphoranes","C=P" | |
| "R20 Chloramidines","[Cl]C([C&R0])=N" | |
| "R21 Nitroso","[N&D2](=O)" | |
| "R22 P/S Halides","[P,S][Cl,Br,F,I]" | |
| "R23 Carbodiimide","N=C=N" | |
| "R24 Isonitrile","[N+]#[C-]" | |
| "R25 Triacyloximes","C(=O)N(C(=O))OC(=O)" | |
| "R26 Cyanohydrins","N#CC[OH]" | |
| "R27 Acyl cyanides","N#CC(=O)" | |
| "R28 Sulfonyl cyanides","S(=O)(=O)C#N" | |
| "R29 Cyanophosphonates","P(OCC)(OCC)(=O)C#N" | |
| "R30 Azocyanamides","[N;R0]=[N;R0]C#N" | |
| "R31 Azoalkanals","[N;R0]=[N;R0]CC=O" | |
| "I1 Aliphatic methylene chains 7 or more long","[CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0][CD2;R0]" | |
| "I2 Compounds with 4 or more acidic groups","[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH].[C,S,P](=O)[OH]" | |
| "I3 Crown ethers","[O;R1][C;R1][C;R1][O;R1][C;R1][C;R1][O;R1]" | |
| "I4 Disulphides","SS" | |
| "I5 Thiols","[SH]" | |
| "I6 Epoxides, Thioepoxides, Aziridines","C1[O,S,N]C1" | |
| "I7 2,4,5 trihydroxyphenyl","c([OH])c([OH])c([OH])" | |
| "I8 2,3,4 trihydroxyphenyl","c([OH])c([OH])cc([OH])" | |
| "I9 Hydrazothiourea","N=NC(=S)N" | |
| "I10 Thiocyanate","SC#N" | |
| "I11 Benzylic quaternary Nitrogen","cC[N+]" | |
| "I12 Thioesters","C[O,S;R0][C;R0](=S)" | |
| "I13 Cyanamides","N[CH2]C#N" | |
| "I14 Four membered lactones","C1(=O)OCC1" | |
| "I15 Di and Triphosphates","P(=O)([OH])OP(=O)[OH]" | |
| "I16 Betalactams","N1CCC1=O" | |
| "N1 Quinones","O=C1[#6]~[#6]C(=O)[#6]~[#6]1" | |
| "N2 Polyenes","C=CC=CC=CC=C" | |
| "N3 Saponin derivatives","O1CCCCC1OC2CCC3CCCCC3C2" | |
| "N4 Cytochalasin derivatives","O=C1NCC2CCCCC21" | |
| "N5 Cycloheximide derivatives","O=C1CCCC(N1)=O" | |
| "N6 Monensin derivatives","O1CCCCC1C2CCCO2" | |
| "N7 Cyanidin derivatives","[OH]c1cc([OH])cc2=[O+]C(=C([OH])Cc21)c3cc([OH])c([OH])cc3" | |
| "N8 Squalestatin derivatives","C12OCCC(O1)CC2" | |