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"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"
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