path: root/data/kazius.csv

kazius_1728-95-6,COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
kazius_91-08-7,O=C=Nc1cccc(c1C)N=C=O,1
kazius_89786-04-9,OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,0
kazius_2439-35-2,C=CC(=O)OCCN(C)C,0
kazius_95-94-3,Clc1cc(Cl)c(cc1Cl)Cl,0
kazius_120314-14-9,OCCc1cn(c2c1cccc2)N=O,1
kazius_146795-42-8,Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_119-41-5,CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,0
kazius_614-00-6,O=NN(c1ccccc1)C,1
kazius_77996-03-3,Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,1
kazius_123-01-3,CCCCCCCCCCCCc1ccccc1,0
kazius_53478-38-9,CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
kazius_1836-75-5,Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],1
kazius_329-71-5,[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],1
kazius_108-64-5,CCOC(=O)CC(C)C,0
kazius_146177-59-5,Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,1
kazius_106264-79-3,CSc1cc(SC)c(c(c1N)C)N,1
kazius_88488-97-5,Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,1
kazius_61203-01-8,BrC(=C)C(=O)C,1
kazius_112-24-3,NCCNCCNCCN,1
kazius_2849-98-1,CCCCCOC(=O)C(=C)C,0
kazius_16423-19-1,C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,0
kazius_97-90-5,O=C(C(=C)C)OCCOC(=O)C(=C)C,0
kazius_50438-75-0,OCCc1ccc(cc1)N(C)C,1
kazius_126983-60-6,COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,1
kazius_89-98-5,O=Cc1ccccc1Cl,0
kazius_82-62-2,[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,0
kazius_97606-15-0,N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,1
kazius_91-53-2,CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0
kazius_117-81-7,CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,0
kazius_1928-43-4,CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,0
kazius_129927-33-9,CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,0
kazius_4513-36-4,C=CC(=O)OCC(C)(C)C,0
kazius_507-55-1,F[C@H](C(C(Cl)(F)F)(F)F)Cl,0
kazius_5042-54-6,Nc1cc(N)c(cc1/N=N/c1ccccc1)C,1
kazius_396-01-0,Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,0
kazius_120-61-6,COC(=O)c1ccc(cc1)C(=O)OC,0
kazius_952-23-8,Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1
kazius_3807-77-0,[O-][N+](=O)c1ccc2c3c1CCc3ccc2,1
kazius_612-59-9,Clc1cnc2c(c1)cccc2,0
kazius_13675-34-8,O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,0
kazius_71628-96-1,CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,1
kazius_4629-58-7,Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_142438-73-1,COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,1
kazius_500-38-9,C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,0
kazius_97-24-5,Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,0
kazius_5634-39-9,OC[C@@H]1CO[C@H](O1)[C@@H](I)C,1
kazius_93-68-5,O=C(Nc1ccccc1C)CC(=O)C,0
kazius_109-99-9,C1CCCO1,0
kazius_88133-11-3,CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,0
kazius_103942-97-8,CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,1
kazius_60-23-1,NCCS,0
kazius_119169-78-7,OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,0
kazius_92-88-6,Oc1ccc(cc1)c1ccc(cc1)O,0
kazius_5742-19-8,OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,0
kazius_106-38-7,Cc1ccc(cc1)Br,0
kazius_4985-70-0,Clc1cccc2c1cc1ccccc1c2,0
kazius_482-27-9,COc1c2ccc(=O)oc2c(c2c1cco2)OC,0
kazius_86-73-7,c1ccc2-c3c(Cc2c1)cccc3,0
kazius_17924-92-4,C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,0
kazius_95-64-7,Nc1ccc(c(c1)C)C,1
kazius_6382-01-0,OC(=O)CC[C@@H](C(=O)O)N.[K+].O,0
kazius_21655-84-5,Cc1nccc2c1[nH]c1c2cccc1.Cl,1
kazius_67587-52-4,O=NN1CCO[C@H](C1)O,1
kazius_610-14-0,[O-][N+](=O)c1ccccc1C(=O)Cl,1
kazius_17341-40-1,C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,0
kazius_105-58-8,CCOC(=O)OCC,0
kazius_100757-60-6,ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,0
kazius_16069-36-6,O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,0
kazius_140-08-9,ClCCOP(OCCCl)OCCCl,1
kazius_6066-82-6,ON1C(=O)CCC1=O,0
kazius_10605-21-7,COC(=O)Nc1nc2c([nH]1)cccc2,1
kazius_68743-68-0,CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,1
kazius_505-29-3,S1CCSCC1,1
kazius_135-68-2,Nc1ccc(cc1)c1ccc(cc1)Cl,1
kazius_484-23-1,NNc1nnc(c2c1cccc2)NN,1
kazius_114460-39-8,Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,1
kazius_104-78-9,NCCCN(CC)CC,0
kazius_39720-27-9,ClCc1ccc(cc1)OC(=O)C,1
kazius_6149-33-3,Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],1
kazius_123-92-2,CC(CCOC(=O)C)C,0
kazius_36712-34-2,[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_54827-17-7,Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,0
kazius_91-23-6,COc1ccccc1[N+](=O)[O-],1
kazius_218-19-9,c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,1
kazius_111-14-8,CCCCCCC(=O)O,0
kazius_115664-50-1,Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],1
kazius_6449-35-0,COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,1
kazius_88-88-0,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,1
kazius_68140-48-7,CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,0
kazius_77-92-9,OC(=O)C(CC(=O)O)(CC(=O)O)O,0
kazius_51640-90-5,[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,1
kazius_75-11-6,ICI,0
kazius_568-75-2,OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
kazius_2541-69-7,Cc1c2ccc3c(c2cc2c1cccc2)cccc3,1
kazius_4450-68-4,Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],1
kazius_5000-65-7,BrCC(=O)c1cccc(c1)OC,0
kazius_77121-90-5,CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,1
kazius_138580-48-0,CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,1
kazius_6268-09-3,O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,1
kazius_96563-10-9,Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,1
kazius_2508-20-5,O=Nc1ccc2-c3c(Cc2c1)cccc3,1
kazius_100-37-8,OCCN(CC)CC,0
kazius_4825-86-9,C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,0
kazius_1436-34-6,CCCC[C@H]1CO1,0
kazius_105579-74-6,O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,1
kazius_96-99-1,[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,1
kazius_74-31-7,c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,1
kazius_142044-37-9,C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,1
kazius_462-95-3,CCOCOCC,0
kazius_615-05-4,COc1ccc(cc1N)N,1
kazius_868-77-9,CC(=C)C(=O)OCCO,0
kazius_491-80-5,COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,0
kazius_82389-38-6,CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,1
kazius_134-03-2,OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],0
kazius_99-75-2,COC(=O)c1ccc(cc1)C,0
kazius_108-70-3,Clc1cc(Cl)cc(c1)Cl,0
kazius_146177-65-3,Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,1
kazius_57-13-6,NC(=O)N,0
kazius_29916-56-1,[O-][N+](=C1CCCC1)[O-],1
kazius_109-69-3,CCCCCl,0
kazius_109143-20-6,ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,1
kazius_98-95-3,[O-][N+](=O)c1ccccc1,0
kazius_125239-64-7,COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,1
kazius_156215-58-6,Cn1c(N)nc2c1cc1ccccc1n2,1
kazius_83-67-0,Cn1cnc2c1c(=O)[nH]c(=O)n2C,0
kazius_59703-84-3,CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],0
kazius_108-89-4,Cc1ccncc1,0
kazius_93780-96-2,O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,1
kazius_830-96-6,OC(=O)CCc1c[nH]c2c1cccc2,0
kazius_578-06-3,Nc1cccc2c1cc1ccccc1n2,1
kazius_42200-33-9,O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,0
kazius_484-78-6,OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,0
kazius_590-88-5,NCC[C@H](N)C,0
kazius_117929-13-2,[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],1
kazius_1953-02-2,C[C@H](C(=O)NCC(=O)O)S,0
kazius_3442-62-4,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,1
kazius_2012-00-2,CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],1
kazius_102822-04-8,O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],1
kazius_10147-37-2,CC(S(=O)(=O)Cl)C,1
kazius_111-69-3,N#CCCCCC#N,0
kazius_62450-07-1,Nc1nc(C)c2c(c1)[nH]c1c2cccc1,1
kazius_33037-07-9,ClC[C@@H](CBr)Cl,1
kazius_161697-03-6,Cc1nc2c(nc1C)ccc(c2C)N,1
kazius_15299-08-8,Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1
kazius_5466-77-3,CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,0
kazius_4098-71-9,O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,0
kazius_99-09-2,Nc1cccc(c1)[N+](=O)[O-],1
kazius_5470-37-1,OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,0
kazius_41533-75-9,[O-][N+](=O)c1cccc2c1snc2Cl,1
kazius_110419-21-1,[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,1
kazius_133831-60-4,ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,1
kazius_13593-03-8,CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,0
kazius_78-42-2,CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0
kazius_6884-87-3,CNS(=O)(=O)c1ccc(cc1)NC(=O)C,0
kazius_116374-65-3,CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,1
kazius_113698-18-3,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,1
kazius_123-73-9,C/C=C/C=O,1
kazius_3930-19-6,COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,1
kazius_4430-25-5,Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,0
kazius_609-19-8,Oc1cc(Cl)c(c(c1)Cl)Cl,0
kazius_75586-69-5,Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,1
kazius_69177-41-9,CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,1
kazius_4792-83-0,CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],0
kazius_116505-02-3,CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,1
kazius_96910-73-5,O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,1
kazius_92-94-4,c1ccc(cc1)c1ccc(cc1)c1ccccc1,0
kazius_50-32-8,c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,1
kazius_90-13-1,Clc1cccc2c1cccc2,1
kazius_212-54-4,c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,1
kazius_26530-20-1,CCCCCCCCn1sccc1=O,0
kazius_321-14-2,Clc1ccc(c(c1)C(=O)O)O,0
kazius_95-70-5,Nc1ccc(c(c1)C)N,1
kazius_3397-62-4,Nc1nc(N)nc(n1)Cl,0
kazius_6358-53-8,COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,1
kazius_607-59-0,CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,1
kazius_96-69-5,CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,0
kazius_512-56-1,COP(=O)(OC)OC,1
kazius_525-03-1,NC1c2ccccc2-c2c1cccc2,0
kazius_598-55-0,COC(=O)N,0
kazius_17902-23-7,O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,0
kazius_132-98-9,O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],0
kazius_3018-12-0,ClC(C#N)Cl,1
kazius_32692-19-6,[O-][N+](=O)c1ccc2c(c1)CCN2,1
kazius_146795-37-1,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,1
kazius_8003-03-0,OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,0
kazius_104445-28-5,OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],1
kazius_637-69-4,COc1ccc(cc1)C=C,0
kazius_106063-42-7,COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,1
kazius_93-08-3,CC(=O)c1ccc2c(c1)cccc2,0
kazius_119-36-8,COC(=O)c1ccccc1O,1
kazius_15131-84-7,c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,1
kazius_610-39-9,Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_112575-91-4,O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,1
kazius_111712-47-1,Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,1
kazius_106449-56-3,OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,0
kazius_1672-88-4,O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_105650-23-5,Cn1c(N)nc2c1cc(cn2)c1ccccc1,1
kazius_479-13-0,Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,0
kazius_14925-39-4,BrC(=C)C=O,1
kazius_27113-22-0,CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,0
kazius_118-56-9,C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,0
kazius_111-20-6,OC(=O)CCCCCCCCC(=O)O,0
kazius_89784-39-4,CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,1
kazius_22608-53-3,COP(=O)(SC)SC,0
kazius_617-48-1,OC(=O)C[C@H](C(=O)O)O,0
kazius_2397-76-4,CC(=C)C(=O)OCC(C)(C)C,0
kazius_13707-88-5,C=CCc1ccccc1OC[C@@H](CNC(C)C)O,0
kazius_602-38-0,[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],1
kazius_33089-36-0,O1CCOCCOCCOCCOCCOCCOCC1,0
kazius_100-43-6,C=Cc1ccncc1,0
kazius_299-88-7,O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,0
kazius_61740-00-9,COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,1
kazius_1928-38-7,COC(=O)COc1ccc(cc1Cl)Cl,0
kazius_85-33-6,O=Cc1ccc2-c1cc(ccc2C)C(=C)C,1
kazius_75-36-5,CC(=O)Cl,0
kazius_621-52-3,CCOc1cccc(c1)[N+](=O)[O-],0
kazius_693-98-1,Cc1ncc[nH]1,0
kazius_67730-11-4,Nc1ccc2c(n1)n1cccc(c1n2)C,1
kazius_565-20-8,CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
kazius_15088-70-7,CCOC(=O)CNC(=O)CBr,0
kazius_371-47-1,OC(=O)/C=C\C(=O)O.[Na+].[Na+],0
kazius_24496-65-9,c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,1
kazius_346-18-9,CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,0
kazius_1761-71-3,N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,0
kazius_110-59-8,CCCCC#N,0
kazius_68162-37-8,COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],1
kazius_6257-64-3,CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,0
kazius_103393-72-2,ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
kazius_97-00-7,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,1
kazius_57309-27-0,ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,0
kazius_836-37-3,[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,1
kazius_123-32-0,Cc1ncc(nc1)C,0
kazius_64188-64-3,c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_29590-42-9,C=CC(=O)OCCCCCC(C)C,0
kazius_118-92-3,OC(=O)c1ccccc1N,0
kazius_61788-44-1,Oc1ccccc1,0
kazius_114454-59-0,O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],1
kazius_51325-91-8,N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,1
kazius_2426-08-6,CCCCOC[C@H]1CO1,1
kazius_603-54-3,NC(=O)N(c1ccccc1)c1ccccc1,0
kazius_555-68-0,OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],1
kazius_112-55-0,CCCCCCCCCCCCS,0
kazius_693-13-0,CC(N=C=NC(C)C)C,0
kazius_127-07-1,NC(=O)NO,1
kazius_503-09-3,FC[C@H]1CO1,1
kazius_27946-19-6,Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,1
kazius_2226-96-2,OC1CC(C)(C)N(C(C1)(C)C)O,1
kazius_54818-87-0,CC(=O)Nc1ccc(cc1)Sc1ccccc1,1
kazius_6358-23-2,[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],1
kazius_80115-73-7,CCC(=O)N(c1ccc(cc1)c1ccccc1)O,1
kazius_501-30-4,OCc1occ(c(=O)c1)O,1
kazius_2224-15-9,O(C[C@@H]1OC1)CCOC[C@@H]1OC1,1
kazius_91-84-9,COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0
kazius_126-27-2,OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,0
kazius_151-56-4,N1CC1,1
kazius_1522-92-5,OCC(CBr)(CBr)CBr,1
kazius_2921-88-2,CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0
kazius_108-10-1,CC(CC(=O)C)C,0
kazius_52898-98-3,CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,1
kazius_139953-77-8,OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
kazius_21229-99-2,ONc1ccc(cc1)Sc1ccccc1,1
kazius_104-54-1,OC/C=C/c1ccccc1,0
kazius_626-43-7,Nc1cc(Cl)cc(c1)Cl,0
kazius_73341-53-4,ONc1ccc2c(n1)n1cccc(c1n2)C,1
kazius_129-03-3,CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,0
kazius_119-06-2,CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,0
kazius_109-09-1,Clc1ccccn1,1
kazius_396-32-7,Fc1ccc2c(c1)nccc2,1
kazius_150-76-5,COc1ccc(cc1)O,0
kazius_58-54-8,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,0
kazius_112022-06-7,CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,1
kazius_67-71-0,CS(=O)(=O)C,0
kazius_78-67-1,N#CC(/N=N/C(C#N)(C)C)(C)C,0
kazius_2562-38-1,[O-][N+](=O)C1CCCC1,1
kazius_106-50-3,Nc1ccc(cc1)N,1
kazius_159092-71-4,[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],1
kazius_33611-88-0,[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],1
kazius_137-40-6,CCC(=O)O.[Na+],0
kazius_100-13-0,C=Cc1ccc(cc1)[N+](=O)[O-],1
kazius_1116-40-1,CC(CN(CC(C)C)CC(C)C)C,0
kazius_5907-38-0,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,1
kazius_87-84-3,Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,0
kazius_132335-20-7,c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,1
kazius_3688-53-7,NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,1
kazius_548-83-4,Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,0
kazius_148193-30-0,Nc1ccc2c(c1)c(Cl)ns2,1
kazius_96839-34-8,OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0
kazius_60-33-3,CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,0
kazius_129176-05-2,Cl[C@H]1O[C@H]1CBr,1
kazius_116-66-5,[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],0
kazius_502-65-8,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,0
kazius_578-67-6,Oc1cccc2c1cccn2,1
kazius_20153-98-4,COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,0
kazius_28124-29-0,Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,1
kazius_83905-01-5,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,0
kazius_146795-43-9,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,1
kazius_2855-19-8,CCCCCCCCCC[C@@H]1OC1,0
kazius_115-86-6,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,0
kazius_58-90-2,Oc1c(Cl)cc(c(c1Cl)Cl)Cl,0
kazius_68299-98-9,OCC(=O)N(c1ccc(cc1)Cl)O,0
kazius_581-47-5,n1ccc(cc1)c1ccccn1,1
kazius_89-80-5,C[C@@H]1CC[C@H](C(=O)C1)C(C)C,1
kazius_1635-63-8,CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,0
kazius_62-50-0,CCOS(=O)(=O)C,1
kazius_59-89-2,O=NN1CCOCC1,1
kazius_3333-52-6,N#CC(C(C#N)(C)C)(C)C,0
kazius_159394-73-7,N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_1982-67-8,OC(=O)[C@H](CC[S@](=O)(=N)C)N,0
kazius_18829-55-5,CCCC/C=C/C=O,1
kazius_820-75-7,[N-]=[N+]=CC(=O)NCC(=O)NN,1
kazius_41044-12-6,CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,0
kazius_19600-63-6,C=CCCCC[C@@H]1OC1,1
kazius_102-28-3,CC(=O)Nc1cccc(c1)N,1
kazius_15481-70-6,Nc1cccc(c1C)N.Cl.Cl,1
kazius_4350-09-8,OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,0
kazius_13345-23-8,Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
kazius_133-18-6,O=C(c1ccccc1N)OCCc1ccccc1,0
kazius_2531-84-2,Cc1ccc2c(c1)ccc1c2cccc1,1
kazius_28166-06-5,[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,1
kazius_126983-61-7,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,1
kazius_91423-46-0,CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
kazius_81424-67-1,CNC(=O)ON(C(=O)NC)C(=O)C,1
kazius_709-49-9,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,1
kazius_316-14-3,Cc1cc2ccccc2c2c1cc1ccccc1c2,1
kazius_96-09-3,O1C[C@@H]1c1ccccc1,1
kazius_74367-78-5,ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_1013-96-3,OC(=O)/C=C/c1ccccc1[N+](=O)[O-],0
kazius_16430-32-3,CC(=O)OCc1c2ccccc2cc2c1cccc2,1
kazius_2851-80-1,Cc1ccc2-c3c(Cc2c1)cc(cc3)C,0
kazius_542-75-6,ClC/C=C/Cl,1
kazius_1516-21-8,COc1ccc(cc1)N=O,1
kazius_2185-92-4,Nc1ccccc1c1ccccc1.Cl,1
kazius_628-94-4,NC(=O)CCCCC(=O)N,0
kazius_65-45-2,NC(=O)c1ccccc1O,0
kazius_115453-71-9,N[C@H](C(=O)O)CS/C=C/Cl,0
kazius_33448-26-9,CNC1Cc2cccc3c2c(C1)ccc3.Cl,1
kazius_142129-81-5,c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,0
kazius_166664-83-1,Nc1nc2c(n1C)cc1c(n2)nccc1,0
kazius_18234-46-3,O=Cc1ccc2-c1cocc2COC(=O)C,1
kazius_4812-40-2,OCCn1c(CO)ncc1[N+](=O)[O-],1
kazius_14698-29-4,CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,1
kazius_529-20-4,O=Cc1ccccc1C,0
kazius_519-23-3,Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,1
kazius_102234-07-1,O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,1
kazius_525-64-4,Nc1ccc2-c3c(Cc2c1)cc(cc3)N,1
kazius_644-21-3,CCN(c1ccccc1)N,1
kazius_102059-18-7,CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,1
kazius_621-77-2,CCCCCN(CCCCC)CCCCC,0
kazius_89930-59-6,CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1
kazius_116169-87-0,O=Nc1nccn1C,1
kazius_2942-42-9,[O-][N+](=O)c1cccc2c1[nH]nc2,1
kazius_2598-29-0,CC(=O)Oc1cccc2c1nccc2,0
kazius_92-70-6,OC(=O)c1cc2ccccc2cc1O,0
kazius_94500-54-6,ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1
kazius_52411-33-3,Nc1ccccc1SCCSc1ccccc1N,1
kazius_106-20-7,CCCC[C@H](CNC[C@@H](CCCC)CC)CC,0
kazius_6190-65-4,CC(Nc1nc(N)nc(n1)Cl)C,0
kazius_288-32-4,c1ncc[nH]1,0
kazius_202-33-5,c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,1
kazius_35144-55-9,O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,0
kazius_144561-63-7,[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,1
kazius_607-35-2,[O-][N+](=O)c1cccc2c1nccc2,1
kazius_60-24-2,OCCS,0
kazius_126-33-0,O=S1(=O)CCCC1,0
kazius_96-45-7,S=C1NCCN1,1
kazius_51630-58-1,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,0
kazius_13952-84-6,CC[C@H](N)C,0
kazius_17804-35-2,CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,0
kazius_16683-64-0,c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,1
kazius_101-84-8,c1ccc(cc1)Oc1ccccc1,0
kazius_789-47-9,Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
kazius_134998-76-8,O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1
kazius_2303-16-4,Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,1
kazius_27729-95-9,COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,1
kazius_34866-46-1,NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,0
kazius_141-91-3,C[C@@H]1CNC[C@H](O1)C,1
kazius_7364-09-2,O=CC(=C(C)C)Cl,1
kazius_22316-47-8,Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,0
kazius_105-59-9,OCCN(CCO)C,0
kazius_2835-97-4,Nc1c(C)cccc1O,0
kazius_101688-02-2,ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,1
kazius_609-31-4,CC[C@H]([N+](=O)[O-])CO,0
kazius_2106-54-9,OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0
kazius_103-80-0,ClC(=O)Cc1ccccc1,1
kazius_951-80-4,Nc1ccc2c(c1)nc1c(c2N)cccc1,1
kazius_224-42-0,c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,1
kazius_63019-38-5,Oc1cccc2c1ccc1c2ccc2c1cccc2,1
kazius_218-01-9,c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
kazius_14064-55-2,Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_39413-05-3,CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,0
kazius_6149-34-4,Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
kazius_965-52-6,Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_82-33-7,Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,1
kazius_36712-35-3,[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_24424-99-5,O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,0
kazius_87-90-1,O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,0
kazius_101-18-8,Oc1cccc(c1)Nc1ccccc1,0
kazius_5806-00-8,[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],0
kazius_115664-51-2,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,1
kazius_3118-97-6,Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,1
kazius_88-89-1,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,1
kazius_206-44-0,c1ccc2-c3c4c(-c2c1)cccc4ccc3,1
kazius_75-12-7,NC=O,0
kazius_96563-11-0,Fc1ccc2-c3c([C@H](c2c1)C)cccc3,1
kazius_64920-31-6,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,1
kazius_55-18-5,CCN(N=O)CC,1
kazius_90-44-8,O=C1c2ccccc2Cc2c1cccc2,1
kazius_120-32-1,Clc1ccc(c(c1)Cc1ccccc1)O,0
kazius_42397-64-8,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
kazius_758-17-8,CN(C=O)N,0
kazius_97576-08-4,O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],1
kazius_54954-12-0,OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,1
kazius_136-85-6,Cc1ccc2c(c1)nn[nH]2,0
kazius_22089-22-1,ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,1
kazius_3531-19-9,[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,1
kazius_96383-86-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,1
kazius_124-07-2,CCCCCCCC(=O)O,0
kazius_27451-21-4,Cc1ccc(cc1)N(C(=O)C)O,0
kazius_5307-00-6,COc1cc(N)c(cc1N)C,0
kazius_99-76-3,COC(=O)c1ccc(cc1)O,0
kazius_60129-67-1,OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,1
kazius_7269-57-0,ONc1nc(N)nc2c1nc[nH]2,1
kazius_57-14-7,CN(N)C,1
kazius_885-11-0,O=Nc1c(C)n(n(c1=O)c1ccccc1)C,1
kazius_154-93-8,ClCCNC(=O)N(CCCl)N=O,1
kazius_499-12-7,OC(=O)C/C(=C\C(=O)O)/C(=O)O,0
kazius_202-03-9,c1ccc2c(c1)cc1c3c2C=Cc3ccc1,1
kazius_24463-15-8,OCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_63018-94-0,Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,1
kazius_98-96-4,NC(=O)c1cnccn1,0
kazius_125239-65-8,COc1cc2nc3cc(N)ccc3nc2cc1N,1
kazius_3132-64-7,BrC[C@H]1CO1,1
kazius_62-75-9,O=NN(C)C,1
kazius_92-59-1,CCN(c1ccccc1)Cc1ccccc1,0
kazius_528-29-0,[O-][N+](=O)c1ccccc1[N+](=O)[O-],1
kazius_52101-49-2,CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
kazius_116-06-3,CNC(=O)O/N=C/C(SC)(C)C,0
kazius_642-31-9,O=Cc1c2ccccc2cc2c1cccc2,0
kazius_26651-23-0,OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_1464-53-5,O1C[C@@H]1[C@@H]1OC1,1
kazius_584-48-5,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,1
kazius_26196-45-2,Nc1cc([N+](=O)[O-])c(cc1Cl)N,1
kazius_117929-14-3,[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,1
kazius_100593-23-5,O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
kazius_33203-82-6,CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,1
kazius_646-06-0,C1OCCO1,0
kazius_100-74-3,CCN1CCOCC1,1
kazius_10443-65-9,BrC(=C)C(=O)O,0
kazius_627-18-9,OCCCBr,1
kazius_39156-41-7,OS(=O)(=O)O.COc1ccc(cc1N)N,1
kazius_230-27-3,c1ccc2c(c1)ccc1c2nccc1,1
kazius_1321-74-0,C=Cc1ccccc1C=C,0
kazius_4569-77-1,Nc1cc2nc3ccccc3nc2cc1O,1
kazius_161697-04-7,CN(c1ccc2c(c1C)nc(c(n2)C)C)C,1
kazius_98-11-3,OS(=O)(=O)c1ccccc1,0
kazius_107097-80-3,CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,0
kazius_1070-70-8,C=CC(=O)OCCCCOC(=O)C=C,0
kazius_496-72-0,Cc1ccc(c(c1)N)N,1
kazius_103-50-4,O(Cc1ccccc1)Cc1ccccc1,0
kazius_632-79-1,O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,0
kazius_102000-59-9,OC(=O)c1c(N)cccc1N,1
kazius_25057-89-0,CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0
kazius_6281-23-8,OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_133831-61-5,ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,1
kazius_53-94-1,ONc1ccc2-c3c(Cc2c1)cccc3,1
kazius_134785-76-5,O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,1
kazius_2310-17-0,CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0
kazius_313-80-4,c1cc2ccc3c4c2c(n1)ccc4ccc3,1
kazius_619-17-0,OC(=O)c1ccc(cc1N)[N+](=O)[O-],1
kazius_116374-66-4,CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,1
kazius_102-70-5,C=CCN(CC=C)CC=C,0
kazius_71711-58-5,Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,1
kazius_103-69-5,CCNc1ccccc1,0
kazius_5869-25-0,Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
kazius_120693-41-6,CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,1
kazius_84736-60-7,O=CN(c1ccc(cc1)[N+](=O)[O-])O,1
kazius_603-85-0,[O-][N+](=O)c1cccc(c1N)O,0
kazius_7417-67-6,O=NN(C(=O)C)C,1
kazius_3032-55-1,CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
kazius_42017-89-0,Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,0
kazius_55804-66-5,CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,0
kazius_109460-96-0,N#C/C(=C\c1ccccc1Br)/C(=O)OC,0
kazius_5443-49-2,O=C/C(=C/c1ccccc1)/Br,1
kazius_101-90-6,O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,1
kazius_50-33-9,CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,0
kazius_584-84-9,O=C=Nc1ccc(c(c1)N=C=O)C,1
kazius_110-05-4,CC(OOC(C)(C)C)(C)C,0
kazius_132335-15-0,c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,1
kazius_527-85-5,NC(=O)c1ccccc1C,0
kazius_80-43-3,CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,0
kazius_109-21-7,CCCCOC(=O)CCC,0
kazius_305-03-3,ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,1
kazius_142-96-1,CCCCOCCCC,0
kazius_4067-16-7,NCCNCCNCCNCCNCCN,1
kazius_600-24-8,[O-][N+](=O)[C@@H](CC)C,0
kazius_24305-27-9,O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,0
kazius_21738-42-1,OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,1
kazius_146795-38-2,Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_17683-09-9,Cc1ccc(cc1)/N=N/NCc1ccccc1,1
kazius_63-25-2,CNC(=O)Oc1cccc2c1cccc2,1
kazius_645-62-5,CCC/C=C(/C=O)\CC,0
kazius_104-85-8,N#Cc1ccc(cc1)C,0
kazius_687-48-9,CCOC(=O)N(C)C,1
kazius_89-75-8,Clc1ccc(c(c1)Cl)C(=O)Cl,1
kazius_253-52-1,c1ccc2c(c1)cnnc2,0
kazius_125676-80-4,OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,1
kazius_83-38-5,O=Cc1c(Cl)cccc1Cl,0
kazius_498-02-2,COc1cc(ccc1O)C(=O)C,0
kazius_28995-89-3,[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_333-27-7,COS(=O)(=O)C(F)(F)F,1
kazius_70853-94-0,ONc1ccc(cc1C)C,1
kazius_88-95-9,ClC(=O)c1ccccc1C(=O)Cl,1
kazius_78-98-8,O=CC(=O)C,1
kazius_97-86-9,CC(COC(=O)C(=C)C)C,0
kazius_71432-00-3,O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,1
kazius_1948-33-0,Oc1ccc(c(c1)C(C)(C)C)O,0
kazius_100-44-7,ClCc1ccccc1,1
kazius_92180-79-5,Cc1nc2c(nc1C)ccc1c2nc(n1C)N,1
kazius_3626-28-6,Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],1
kazius_3385-21-5,N[C@@H]1CCC[C@H](C1)N,0
kazius_51483-40-0,BrCC(CBr)Cl,1
kazius_94-25-7,CCCCOC(=O)c1ccc(cc1)N,0
kazius_99217-04-6,CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
kazius_96287-03-5,Nc1cnc2c(c1C)nc1n2cccc1C,1
kazius_482-89-3,O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,1
kazius_3319-31-1,CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,0
kazius_99-82-1,C[C@@H]1CC[C@H](CC1)C(C)C,0
kazius_2564-65-0,OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,1
kazius_4106-66-5,Nc1ccc2c(c1)oc1c2cccc1,1
kazius_6111-78-0,Cc1cccc2c1cc1c(c2)ccc2c1cccc2,1
kazius_109-76-2,NCCCN,0
kazius_84-54-8,Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0
kazius_93-45-8,Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,0
kazius_64188-65-4,C1CCC(CC1)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_149-57-5,CCCC[C@@H](C(=O)O)CC,0
kazius_760-23-6,Cl[C@@H](C=C)CCl,0
kazius_134-29-2,COc1ccccc1N.Cl,1
kazius_659-70-1,CC(CCOC(=O)CC(C)C)C,0
kazius_56-40-6,NCC(=O)O,0
kazius_6810-26-0,ONc1ccc(cc1)c1ccccc1,1
kazius_52517-34-7,BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,1
kazius_479-50-5,CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,1
kazius_21247-98-3,OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
kazius_459-56-3,OCc1ccc(cc1)F,0
kazius_198-55-0,c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,1
kazius_112-56-1,CCCCOCCOCCSC#N,0
kazius_95896-78-9,Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,1
kazius_17796-82-6,O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,0
kazius_3058-37-5,C/N=N/O.[K+],1
kazius_137-05-3,COC(=O)C(=C)C#N,1
kazius_28911-01-5,Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,0
kazius_2746-81-8,CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
kazius_18463-85-9,CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,1
kazius_86-50-0,COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,1
kazius_92134-93-5,OC[C@@H]1SCCN1N=O,1
kazius_606-31-5,O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_54755-20-3,Cc1ccc2c(c1)cccc2[N+](=O)[O-],1
kazius_66-56-8,[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],1
kazius_118244-44-3,C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,0
kazius_20426-12-4,Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
kazius_31335-69-0,O=CN(c1ccccc1)O,0
kazius_577-33-3,Oc1c2ccccc2cc2c1ccc(c2O)O,1
kazius_121-73-3,Clc1cccc(c1)[N+](=O)[O-],0
kazius_93673-39-3,Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,1
kazius_146-22-5,O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,0
kazius_868-18-8,O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],0
kazius_1622-62-4,CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,1
kazius_6459-94-5,OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],1
kazius_5466-84-2,O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],1
kazius_3680-02-2,C=CS(=O)(=O)C,0
kazius_108-11-2,CC(C[C@H](O)C)C,0
kazius_139953-78-9,COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
kazius_104-55-2,O=C/C=C/c1ccccc1,0
kazius_86803-19-2,ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,1
kazius_110-96-3,CC(CNCC(C)C)C,0
kazius_2052-07-5,Brc1ccccc1c1ccccc1,0
kazius_141-86-6,Nc1cccc(n1)N,1
kazius_37962-27-9,O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_771-29-9,OO[C@@H]1CCCc2c1cccc2,1
kazius_97919-22-7,Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,0
kazius_58-55-9,Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,0
kazius_30747-87-6,[O-][N+](=O)c1cc2c(Cl)nsc2cc1,1
kazius_107-31-3,COC=O,0
kazius_619-23-8,ClCc1cccc(c1)[N+](=O)[O-],1
kazius_546-88-3,CC(=O)NO,1
kazius_112022-07-8,CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,1
kazius_144-62-7,OC(=O)C(=O)O,0
kazius_142713-63-1,COc1ccc(cc1)CNC(=O)[C@H](Br)C,1
kazius_120209-97-4,Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,1
kazius_67-72-1,ClC(C(Cl)(Cl)Cl)(Cl)Cl,0
kazius_5447-11-0,CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,0
kazius_120302-30-9,OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],1
kazius_97-56-3,Cc1cc(ccc1N)/N=N/c1ccccc1C,1
kazius_82-28-0,O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,1
kazius_112-92-5,CCCCCCCCCCCCCCCCCCO,0
kazius_159092-72-5,[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],1
kazius_91-19-0,c1ccc2c(c1)nccn2,1
kazius_100-14-1,ClCc1ccc(cc1)[N+](=O)[O-],1
kazius_64894-89-9,[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,1
kazius_35142-05-3,COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,1
kazius_18662-53-8,OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,0
kazius_23696-28-8,OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,1
kazius_759-94-4,CCCN(C(=O)SCC)CCC,0
kazius_3602-55-9,O=C1C=CC(=O)C(=C1)C(C)(C)C,1
kazius_6237-22-5,CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,1
kazius_114882-46-1,O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
kazius_55302-96-0,OCCNc1ccc(c(c1)O)C,0
kazius_2085-88-3,C[C@]1(OC1)c1ccccc1,1
kazius_75-07-0,CC=O,0
kazius_148193-31-1,Nc1cccc2c1snc2Cl,1
kazius_2154-67-8,OC(=O)C1=CC(N(C1(C)C)O)(C)C,0
kazius_497-19-8,OC(=O)O,0
kazius_96563-06-3,C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,1
kazius_86470-99-7,C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,1
kazius_2984-50-1,CCCCCC[C@@H]1OC1,0
kazius_146795-44-0,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],1
kazius_113779-16-1,c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,1
kazius_138542-40-2,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,1
kazius_99-52-5,[O-][N+](=O)c1ccc(c(c1)C)N,1
kazius_84-24-2,CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,0
kazius_104-91-6,O=Nc1ccc(cc1)O,1
kazius_53473-85-1,Nc1ccc2c(c1)cns2,1
kazius_93-15-2,C=CCc1ccc(c(c1)OC)OC,0
kazius_932-97-8,O=C1C=CC(=[N+]=[N-])C=C1,1
kazius_26444-49-5,Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,0
kazius_6628-97-3,O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,1
kazius_1836-77-7,Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,0
kazius_523-50-2,O=c1ccc2c(o1)c1ccoc1cc2,0
kazius_2478-38-8,COc1cc(cc(c1O)OC)C(=O)C,0
kazius_109143-16-0,ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,1
kazius_488-11-9,O=C/C(=C(/C(=O)O)\Br)/Br,1
kazius_13395-02-3,COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,1
kazius_21362-69-6,COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,0
kazius_7227-92-1,CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,1
kazius_194-69-4,c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,1
kazius_1319-69-3,OC[C@H](COP(=O)(O)O)O.[K+].[K+],0
kazius_143-16-8,CCCCCCNCCCCCC,0
kazius_2872-48-2,COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,1
kazius_6264-66-0,Nc1ccc(cc1)Oc1ccc(c(c1)N)N,1
kazius_3268-49-3,CSCCC=O,0
kazius_94740-40-6,O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,1
kazius_514-78-3,C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,0
kazius_53940-49-1,COc1cc(ccc1O)C[C@H]1CO1,1
kazius_13365-37-2,CN(CCCNc1c2ccccc2nc2c1cccc2)C,1
kazius_56600-58-9,CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,1
kazius_111-46-6,OCCOCCO,0
kazius_151378-32-4,O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,1
kazius_133502-50-8,CN(c1ccc(cc1)C(=C1C=C/C(=N)/C=C1)c1ccc(cc1)N(C)C)C,0
kazius_115453-72-0,N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,1
kazius_85-40-5,O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,0
kazius_872-50-4,O=C1CCCN1C,0
kazius_61166-04-9,Nc1ccc2c(c1)c1ccccc1n2C,1
kazius_100-69-6,C=Cc1ccccn1,0
kazius_14861-17-7,Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,1
kazius_53-70-3,c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,1
kazius_1241-94-7,CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,0
kazius_84-60-6,Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,0
kazius_103302-38-1,O[C@H]1C=CC=C[C@@H]1O,1
kazius_98114-60-4,CC/N=N/O.[K+],1
kazius_239-35-0,c1ccc2c(c1)c1sc3c(c1cc2)cccc3,1
kazius_63521-85-7,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1
kazius_37797-31-2,CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,1
kazius_16234-96-1,COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,1
kazius_98151-91-8,O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],1
kazius_17455-23-1,C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,0
kazius_830-07-9,[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_52-90-4,N[C@@H](C(=O)O)CS,1
kazius_63449-41-2,CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,0
kazius_7097-60-1,O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,0
kazius_835-64-3,Oc1ccccc1c1nc2c(o1)cccc2,0
kazius_78-38-6,CCP(=O)(OCC)OCC,0
kazius_84-79-7,CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,0
kazius_589-15-1,BrCc1ccc(cc1)Br,0
kazius_119613-62-6,CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,1
kazius_4424-06-0,O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,1
kazius_627-30-5,OCCCCl,1
kazius_527-61-7,O=C1C=C(C)C(=O)C(=C1)C,0
kazius_1083-57-4,CCOc1ccc(cc1)NC(=O)C[C@H](O)C,1
kazius_22603-58-3,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,1
kazius_106-89-8,ClC[C@H]1CO1,1
kazius_584-79-2,C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,1
kazius_52671-42-8,O=Nc1ccc(cc1)Oc1ccccc1,1
kazius_58152-03-7,NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,0
kazius_134998-77-9,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,1
kazius_122367-97-9,C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,0
kazius_2303-17-5,CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,1
kazius_109-16-0,O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,0
kazius_55566-30-8,OS(=O)(=O)O.OC[P+](CO)(CO)CO,0
kazius_13684-63-4,COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,1
kazius_129286-36-8,Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,1
kazius_28920-43-6,ClC(=O)OCC1c2ccccc2-c2c1cccc2,1
kazius_842-19-3,Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0
kazius_114656-95-0,COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,1
kazius_2835-98-5,Cc1ccc(c(c1)O)N,1
kazius_42509-80-8,CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,1
kazius_141511-28-6,[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,1
kazius_105149-00-6,O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,0
kazius_52-24-4,S=P(N1CC1)(N1CC1)N1CC1,1
kazius_218-02-0,c1ccc2c(c1)ccc1c2ccc2c1ccnc2,1
kazius_112022-13-6,CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,1
kazius_111990-49-9,Cc1ccc(cc1)CC[C@@H]1OC1,1
kazius_63019-39-6,Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
kazius_4261-14-7,Nc1ncnc2c1ncn2Cc1ccccc1,1
kazius_554-10-9,OC[C@@H](CI)O,1
kazius_193-40-8,c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,0
kazius_3198-41-2,Nc1cccc2c1nc1CCCCc1c2,1
kazius_6756-41-8,Cc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2,0
kazius_114231-14-0,COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,0
kazius_115550-35-1,CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,1
kazius_4196-86-5,O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,0
kazius_553-30-0,OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1
kazius_25003-82-1,n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
kazius_569-57-3,COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,0
kazius_612-12-4,ClCc1ccccc1CCl,0
kazius_522-40-7,CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,0
kazius_86831-65-4,CCN(N(N=O)O)CC,1
kazius_83287-02-9,COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,1
kazius_100-20-9,ClC(=O)c1ccc(cc1)C(=O)Cl,1
kazius_153-78-6,Nc1ccc2-c3c(Cc2c1)cccc3,1
kazius_5401-94-5,[O-][N+](=O)c1ccc2c(c1)cn[nH]2,1
kazius_111955-14-7,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,1
kazius_78865-83-5,CCCCCCCCCCSCn1cc[n+](c1)C.Cl,1
kazius_64920-32-7,O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,1
kazius_611-32-5,Cc1cccc2c1nccc2,1
kazius_81-54-9,Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,1
kazius_127-69-5,Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,0
kazius_134-50-9,Nc1c2ccccc2nc2c1cccc2,1
kazius_42397-65-9,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
kazius_100-39-0,BrCc1ccccc1,1
kazius_17564-64-6,ClCN1C(=O)c2c(C1=O)cccc2,1
kazius_6358-85-6,CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,0
kazius_7390-81-0,CCCCCCCCCCCCCCCC[C@H]1CO1,0
kazius_21829-25-4,COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,0
kazius_838-95-9,CN(c1ccc(cc1)/C=C/c1ccccc1)C,1
kazius_215-62-3,c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,1
kazius_957-52-8,ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
kazius_501-92-8,C=CCc1ccc(cc1)O,0
kazius_541-73-1,Clc1cccc(c1)Cl,0
kazius_95860-07-4,ONc1cc(ccc1C)[N+](=O)[O-],0
kazius_92072-09-8,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],1
kazius_70403-81-5,COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,1
kazius_88-05-1,Cc1cc(C)c(c(c1)C)N,1
kazius_779-02-2,Cc1c2ccccc2cc2c1cccc2,1
kazius_298-00-0,COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,1
kazius_77784-21-5,COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,1
kazius_434-07-1,O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,0
kazius_65089-17-0,OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,0
kazius_123-28-4,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,0
kazius_87-25-2,CCOC(=O)c1ccccc1N,0
kazius_107-92-6,CCCC(=O)O,0
kazius_88847-89-6,OC[C@H]1O[C@H](C[C@@H]1O)n1c(O)nc2c1nc(N)[nH]c2=O,0
kazius_105-11-3,O/N=C/1\C=C/C(=N/O)/C=C1,1
kazius_479-45-8,CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_613-47-8,ONc1ccc2c(c1)cccc2,1
kazius_76150-91-9,Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,0
kazius_89021-88-5,O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,1
kazius_122-48-5,COc1cc(CCC(=O)C)ccc1O,0
kazius_117929-15-4,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1
kazius_7220-81-7,COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,1
kazius_616-23-9,OC[C@@H](CCl)Cl,1
kazius_80-08-0,Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,0
kazius_100-75-4,O=NN1CCCCC1,1
kazius_366-18-7,c1ccc(nc1)c1ccccn1,1
kazius_105802-11-7,[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,1
kazius_2835-68-9,Nc1ccc(cc1)C(=O)N,0
kazius_79-24-3,[O-][N+](=O)CC,0
kazius_1622-57-7,Cn1c(N)nc2c1cccc2,1
kazius_7319-59-7,CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,1
kazius_106671-89-0,Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,1
kazius_17722-71-3,O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,0
kazius_17948-33-3,CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,1
kazius_133831-62-6,Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],1
kazius_53-95-2,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,1
kazius_78-44-4,CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,0
kazius_97-32-5,COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,1
kazius_42924-53-8,COc1ccc2c(c1)ccc(c2)CCC(=O)C,0
kazius_93-76-5,OC(=O)COc1cc(Cl)c(cc1Cl)Cl,0
kazius_116374-67-5,CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,1
kazius_102-71-6,OCCN(CCO)CCO,0
kazius_14088-71-2,OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,0
kazius_20265-96-7,Nc1ccc(cc1)Cl.Cl,1
kazius_17135-78-3,Clc1ccc2c(c1)cc1c(c2)cccc1,1
kazius_1503-91-9,ON(c1ccc(cc1)Cl)C(=O)C,0
kazius_126572-80-3,ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,1
kazius_87-61-6,Clc1c(Cl)cccc1Cl,0
kazius_50-34-0,O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,0
kazius_83463-62-1,Cl[C@H](C#N)Br,1
kazius_954-46-1,[O-][N+](=O)c1cc2ccccc2c2c1cccc2,1
kazius_26306-61-6,Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,1
kazius_106-46-7,Clc1ccc(cc1)Cl,0
kazius_159092-67-8,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],1
kazius_394-68-3,Fc1cccc2c1nccc2,1
kazius_4465-94-5,NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,1
kazius_1135-24-6,COc1cc(/C=C/C(=O)O)ccc1O,0
kazius_41122-70-7,CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,0
kazius_600-25-9,[O-][N+](=O)[C@@H](CC)Cl,1
kazius_26761-45-5,O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,1
kazius_100325-51-7,CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,0
kazius_126222-34-2,O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,0
kazius_114-83-0,CC(=O)NNc1ccccc1,1
kazius_146795-39-3,Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_534-22-5,Cc1ccco1,0
kazius_550-60-7,[O-][N+](=O)c1c(O)ccc2c1cccc2,1
kazius_13171-21-6,CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,1
kazius_101901-06-8,CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,1
kazius_90301-59-0,ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0
kazius_56-05-3,Clc1cc(Cl)nc(n1)N,0
kazius_109897-79-2,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],1
kazius_4309-66-4,Nc1ccc(cc1)/C=C/c1ccccc1,1
kazius_118-58-1,O=C(c1ccccc1O)OCc1ccccc1,0
kazius_930-37-0,COC[C@H]1CO1,1
kazius_253-53-2,n1ccc2c(c1)cnnc2,0
kazius_1608-51-1,Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
kazius_16543-55-8,O=NN1CCC[C@@H]1c1cccnc1,1
kazius_88-96-0,NC(=O)c1ccccc1C(=O)N,0
kazius_24367-94-0,CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,0
kazius_3271-05-4,COc1ccc2c3c1C(=O)N(C)C(=O)c3ccc2,0
kazius_95-06-7,CCN(C(=S)SCC(=C)Cl)CC,1
kazius_557-11-9,NC(=O)NCC=C,1
kazius_141-32-2,CCCCOC(=O)C=C,0
kazius_497-23-4,C1OC(=O)C=C1,0
kazius_15961-88-3,[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,0
kazius_84850-16-8,c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,1
kazius_4802-20-4,SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,0
kazius_4418-26-2,Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],0
kazius_140460-98-6,O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,1
kazius_928-73-4,NC(=O)N/N=C/C(=O)O,0
kazius_3626-29-7,OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,1
kazius_95741-56-3,Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,1
kazius_61422-45-5,CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,0
kazius_542-78-9,O=CCC=O,1
kazius_109-77-3,N#CCC#N,0
kazius_97-02-9,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,1
kazius_52547-00-9,Cc1nsc(c1)N.Cl,1
kazius_93-46-9,c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,1
kazius_64188-66-5,CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_434-13-9,O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
kazius_384-22-5,[O-][N+](=O)c1ccccc1C(F)(F)F,0
kazius_2438-88-2,COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],0
kazius_7422-80-2,CCCCN(CCCC)N,0
kazius_113600-15-0,Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,1
kazius_619-90-9,CC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
kazius_83-75-0,CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CCN1C[C@@H]2C=C,0
kazius_92-66-0,Brc1ccc(cc1)c1ccccc1,0
kazius_101-61-1,CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,1
kazius_9041-93-4,OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,1
kazius_112-57-2,NCCNCCNCCNCCN,1
kazius_599-07-5,O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,0
kazius_78113-36-7,CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,0
kazius_3228-99-7,ClCC(CCl)(CCl)CCl,0
kazius_1141-35-1,Clc1ccc(cc1)c1nc2c(o1)cccc2,0
kazius_3096-52-4,[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,1
kazius_422-56-0,ClC(C(C(F)(F)F)(F)F)Cl,0
kazius_95331-48-9,CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1
kazius_958-93-0,CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,0
kazius_67151-57-9,Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],0
kazius_94-62-2,O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,0
kazius_125279-82-5,[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,1
kazius_5234-06-0,c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,1
kazius_3074-03-1,O=C1c2cc3ccccc3cc2-c2c1cccc2,1
kazius_621-90-9,CNc1ccc(cc1)/N=N/c1ccccc1,1
kazius_63104-32-5,Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,1
kazius_110-97-4,C[C@H](CNC[C@H](O)C)O,0
kazius_25953-06-4,CCN(c1ccc(c(c1)O)N=O)CC.Cl,0
kazius_150-78-7,COc1ccc(cc1)OC,0
kazius_6201-87-2,Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,0
kazius_2402-77-9,Clc1ncccc1Cl,1
kazius_98-37-3,Oc1ccc(cc1N)S(=O)(=O)O,0
kazius_22224-92-6,CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0
kazius_399-10-0,Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
kazius_619-24-9,N#Cc1cccc(c1)[N+](=O)[O-],1
kazius_585-71-7,C[C@@H](c1ccccc1)Br,0
kazius_103-76-4,OCCN1CCNCC1,0
kazius_78967-07-4,COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,0
kazius_112022-08-9,CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,1
kazius_13674-87-8,ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,1
kazius_107210-39-9,CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,1
kazius_142713-64-2,COc1cc(CNC(=O)[C@H](Br)C)ccc1O,1
kazius_2277-92-1,Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,0
kazius_7473-93-0,O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],0
kazius_51940-44-4,CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,1
kazius_532-32-1,OC(=O)c1ccccc1.[Na+],0
kazius_2255-17-6,COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,1
kazius_1212-29-9,S=C(NC1CCCCC1)NC1CCCCC1,0
kazius_159092-73-6,[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],1
kazius_102-96-5,[O-][N+](=O)/C=C/c1ccccc1,1
kazius_1689-84-5,N#Cc1cc(Br)c(c(c1)Br)O,0
kazius_35142-06-4,COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,1
kazius_148193-32-2,COc1nsc2c1ccc(c2)[N+](=O)[O-],1
kazius_84987-77-9,ClCCOC/C(=C\Cl)/Cl,1
kazius_2154-68-9,OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,0
kazius_81-49-2,Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,1
kazius_700-00-5,Nc1ncnc2c1ncn2C,1
kazius_933-78-8,Clc1cc(O)c(c(c1)Cl)Cl,0
kazius_14692-41-2,Cn1cnc2c1ccc1c2cccn1,1
kazius_96563-07-4,Cc1ccc2c(-c3ccccc3[C@H]2C)c1,1
kazius_67392-87-4,O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,0
kazius_110417-88-4,CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,0
kazius_19331-27-2,[O-][N+](=O)c1ccc2c(c1)snc2Cl,1
kazius_146795-45-1,O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],1
kazius_716-53-0,Clc1c2ccccc2cc2c1cccc2,1
kazius_2675-77-6,COc1cc(Cl)c(cc1Cl)OC,1
kazius_135086-91-8,[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
kazius_439-14-5,Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,0
kazius_38965-71-8,[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,1
kazius_13523-75-6,N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,1
kazius_940-14-7,C=COc1ccc(cc1)[N+](=O)[O-],1
kazius_1679-02-3,Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,0
kazius_2998-23-4,CCCCCOC(=O)C=C,0
kazius_18774-09-9,OOC1(C)c2ccccc2-c2c1cccc2,1
kazius_159394-72-6,N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_10549-22-1,[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,1
kazius_99346-50-6,O=c1cn[nH]c(=O)[nH]1.OCCNCCO,1
kazius_83053-60-5,CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0
kazius_7433-46-7,CNC(=O)NO,0
kazius_2381-31-9,Cc1cccc2c1cc1ccc3c(c1c2)cccc3,1
kazius_92-36-4,Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,1
kazius_7156-07-2,c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,1
kazius_108-67-8,Cc1cc(C)cc(c1)C,0
kazius_108283-47-2,N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],1
kazius_109143-17-1,ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,1
kazius_55-31-2,CNC[C@H](c1ccc(c(c1)O)O)O.Cl,0
kazius_118745-11-2,O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,1
kazius_833-50-1,c1ccc(cc1)c1nc2c(o1)cccc2,0
kazius_55-86-7,ClCCN(CCCl)C,1
kazius_117-84-0,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0
kazius_4075-79-0,CC(=O)Nc1ccc(cc1)c1ccccc1,1
kazius_66-27-3,COS(=O)(=O)C,1
kazius_4514-19-6,Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,1
kazius_55268-74-1,O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,0
kazius_61064-66-2,ClNc1ccc2-c3c(Cc2c1)cccc3,1
kazius_100-51-6,OCc1ccccc1,0
kazius_22433-76-7,CC(=O)Nc1ccc2c(c1)cccn2,1
kazius_2519-30-4,CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0
kazius_121-44-8,CCN(CC)CC,0
kazius_81316-80-5,[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,1
kazius_2403-27-2,Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
kazius_13558-31-1,Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,0
kazius_23703-14-2,c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,1
kazius_626-15-3,BrCc1cccc(c1)CBr,0
kazius_61166-05-0,[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,1
kazius_576-24-9,Clc1c(O)cccc1Cl,0
kazius_5926-90-9,CCCCCCOC[C@H]1CO1,1
kazius_24471-48-5,OCc1cc2ccc3c4c2c(c1)ccc4ccc3,1
kazius_109-83-1,CNCCO,0
kazius_84-61-7,O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,0
kazius_64-67-5,CCOS(=O)(=O)OCC,1
kazius_93-52-7,BrC[C@H](c1ccccc1)Br,1
kazius_98114-61-5,CCC/N=N/O.[K+],1
kazius_85815-37-8,NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,0
kazius_575-44-0,Oc1ccc2c(c1)cccc2O,1
kazius_68006-83-7,Cc1cc2c(nc1N)[nH]c1c2cccc1,1
kazius_37393-11-6,OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
kazius_37515-51-8,Oc1cc2c(c3c1cccc3)ccc1c2cccc1,1
kazius_98-07-7,ClC(c1ccccc1)(Cl)Cl,1
kazius_107-02-8,C=CC=O,1
kazius_75464-10-7,CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,1
kazius_98151-92-9,Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
kazius_86451-37-8,CN(N=O)C[C@@H](CO)O,1
kazius_6606-59-3,O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,0
kazius_56715-28-7,c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,1
kazius_122-60-1,O1C[C@@H]1COc1ccccc1,1
kazius_38716-10-8,OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,1
kazius_106-22-9,OCC[C@H](CCC=C(C)C)C,0
kazius_97166-13-7,C[C@H]([C@@H](CBr)Br)Cl,1
kazius_89795-79-9,Nc1cccc2c1snc2,1
kazius_1609-93-4,OC(=O)/C=C/Cl,1
kazius_100527-20-6,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],1
kazius_21490-63-1,C[C@@H]1O[C@@H]1C,1
kazius_2941-64-2,CCSC(=O)Cl,0
kazius_106871-13-0,ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,1
kazius_527-62-8,Clc1cc(N)c(c(c1)Cl)O,0
kazius_2893-78-9,Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],0
kazius_87-56-9,O=C/C(=C(/C(=O)O)\Cl)/Cl,1
kazius_76144-81-5,OC(=O)CCN[N+](C)(C)C,0
kazius_113124-69-9,COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,1
kazius_50-29-3,ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,0
kazius_23255-93-8,CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,1
kazius_492-27-3,OC(=O)c1cc(O)c2c(n1)cccc2,0
kazius_134998-78-0,CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],1
kazius_1794-84-9,[O-][N+](=O)CCl,1
kazius_5329-15-7,COc1cc(N)ccc1NC(=O)C,1
kazius_109621-20-7,COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,1
kazius_33213-65-9,O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0
kazius_2564-06-9,ClCC(=O)NCc1ccccc1,1
kazius_580-20-1,Oc1ccc2c(c1)nccc2,0
kazius_577-59-3,[O-][N+](=O)c1ccccc1C(=O)C,0
kazius_80-39-7,CCNS(=O)(=O)c1ccc(cc1)C,0
kazius_129286-37-9,Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1
kazius_114656-96-1,O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1
kazius_75-99-0,OC(=O)C(Cl)(Cl)C,0
kazius_91687-67-1,C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,1
kazius_85723-20-2,O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,1
kazius_141511-29-7,[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,1
kazius_108618-28-6,N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,1
kazius_30039-44-2,CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
kazius_134-72-5,OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,0
kazius_92-06-8,c1cc(cc(c1)c1ccccc1)c1ccccc1,0
kazius_1918-00-9,COc1c(Cl)ccc(c1C(=O)O)Cl,0
kazius_78-75-1,BrC[C@H](Br)C,1
kazius_97-63-2,CCOC(=O)C(=C)C,0
kazius_51-45-6,NCCc1c[nH]cn1,0
kazius_4196-87-6,O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,0
kazius_100-21-0,OC(=O)c1ccc(cc1)C(=O)O,0
kazius_121-14-2,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,1
kazius_29743-15-5,CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,1
kazius_4836-66-2,OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_111955-18-1,O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,1
kazius_937-40-6,O=NN(Cc1ccccc1)C,1
kazius_36050-09-6,[O-][N+](=O)c1scc(c1)C(=O)N,1
kazius_81-55-0,O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],1
kazius_90-46-0,OC1c2ccccc2Oc2c1cccc2,1
kazius_50-65-7,Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,1
kazius_611-33-6,Clc1cccc2c1nccc2,1
kazius_521-61-9,COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,1
kazius_118174-26-8,O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
kazius_2508-23-8,CC(=O)N(c1ccc2c(c1)cccc2)O,1
kazius_24260-08-0,CCOC1=CC(=O)C(=CC1=O)NC(=O)C,1
kazius_1421-85-8,c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,1
kazius_110520-17-7,n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
kazius_18458-01-0,Cc1ccc(cc1)C[C@@H]1OC1,1
kazius_1204-60-0,O=Cc1cccc(c1)c1ccccc1,0
kazius_124-09-4,NCCCCCCN,0
kazius_3740-52-1,OC(=O)Cc1ccccc1[N+](=O)[O-],1
kazius_4316-73-8,CNCC(=O)O,0
kazius_5307-02-8,COc1cc(N)ccc1N,1
kazius_108-73-6,Oc1cc(O)cc(c1)O,0
kazius_779-03-3,Nc1c2ccccc2cc2c1cccc2,1
kazius_77784-22-6,COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,1
kazius_72492-12-7,O=C1c2cc(ccc2OC21CC2)C(=O)C,0
kazius_1985-51-9,O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,0
kazius_82-71-3,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,0
kazius_91-62-3,Cc1ccc2c(c1)cccn2,1
kazius_132898-07-8,Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,1
kazius_504-88-1,[O-][N+](=O)CCC(=O)O,1
kazius_533-73-3,Oc1ccc(c(c1)O)O,1
kazius_113163-21-6,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,1
kazius_96-17-3,C[C@H](C=O)CC,0
kazius_121-50-6,Clc1ccc(cc1N)C(F)(F)F,0
kazius_23214-92-8,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,1
kazius_23740-25-2,COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,1
kazius_97055-37-3,ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,1
kazius_95152-79-7,Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
kazius_3722-54-1,COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,1
kazius_75-50-3,CN(C)C,0
kazius_1734-79-8,O=C/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_768-52-5,CC(Nc1ccccc1)C,0
kazius_64896-26-0,OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,0
kazius_80-09-1,Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,0
kazius_105708-80-3,OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],1
kazius_7570-36-7,Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,1
kazius_121-69-7,CN(c1ccccc1)C,0
kazius_3366-65-2,Nc1ccc2c(c1)ccc1c2cccc1,1
kazius_7379-35-3,Clc1ccncc1,0
kazius_75-69-4,FC(Cl)(Cl)Cl,0
kazius_98911-07-0,ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,1
kazius_2272-11-9,CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,0
kazius_816-57-9,CCCN(C(=O)N)N=O,1
kazius_82017-48-9,OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,0
kazius_214-17-5,c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,0
kazius_3365-85-3,Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,1
kazius_835-71-2,Cc1ccc(cc1)c1nc2c(o1)cccc2,0
kazius_53-96-3,CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,1
kazius_105361-86-2,O=Nc1cccc(c1)c1ccccc1,1
kazius_106589-49-5,C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
kazius_82-05-3,O=C1c2ccccc2-c2c3c1cccc3ccc2,1
kazius_68931-03-3,CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,0
kazius_20265-97-8,COc1ccc(cc1)N.Cl,1
kazius_2757-90-6,OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,1
kazius_13014-18-1,Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,1
kazius_128-13-2,O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,0
kazius_56-72-4,CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0
kazius_1198-61-4,Fc1c(F)c(F)c(c(c1Cl)F)Cl,0
kazius_824-94-2,ClCc1ccc(cc1)OC,0
kazius_603-87-2,[O-][N+](=O)c1cccc(c1O)N,0
kazius_50-35-1,O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,0
kazius_618-39-3,NC(=N)c1ccccc1,0
kazius_2244-16-8,CC(=C)[C@@H]1CC=C(C(=O)C1)C,0
kazius_70021-98-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
kazius_97851-14-4,[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,1
kazius_89811-25-6,CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_156-25-2,CN(c1ccc(cc1)/N=N/c1cccnc1)C,0
kazius_106-47-8,Nc1ccc(cc1)Cl,1
kazius_532-27-4,ClCC(=O)c1ccccc1,0
kazius_18810-04-3,N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,0
kazius_394-69-4,Fc1cccc2c1cccn2,1
kazius_18296-44-1,CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,1
kazius_1694-20-8,[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,1
kazius_20702-77-6,OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0
kazius_69866-21-3,COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,0
kazius_150-90-3,OC(=O)CCC(=O)O.[Na+].[Na+],0
kazius_89641-97-4,[O-][N+](=O)c1cccc2c1snc2,1
kazius_456-27-9,N#[N+]c1ccc(cc1)[N+](=O)[O-],1
kazius_80657-17-6,O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,0
kazius_59-67-6,OC(=O)c1cccnc1,0
kazius_1155-38-0,Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,1
kazius_603-02-1,[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,1
kazius_104-87-0,O=Cc1ccc(cc1)C,0
kazius_73-24-5,Nc1ncnc2c1nc[nH]2,1
kazius_99-48-9,CC(=C)[C@@H]1CC=C([C@H](C1)O)C,0
kazius_148-24-3,Oc1cccc2c1nccc2,1
kazius_286-99-7,C1CCCCC[C@H]2[C@H](CCCC1)O2,0
kazius_555-16-8,O=Cc1ccc(cc1)[N+](=O)[O-],1
kazius_102-06-7,N=C(Nc1ccccc1)Nc1ccccc1,1
kazius_78-81-9,NCC(C)C,0
kazius_101901-07-9,CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,1
kazius_623-15-4,CC(=O)/C=C/c1ccco1,0
kazius_303-45-7,O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,0
kazius_41340-36-7,OCCc1c[nH]c2c1cccc2CC,0
kazius_1506-02-1,C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,0
kazius_81-61-8,Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,1
kazius_42978-43-8,CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
kazius_117-79-3,Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,1
kazius_68603-42-9,CCCCCCCCCCCC(=O)N(CCO)CCO,0
kazius_61499-28-3,O=NN(CC(=O)C)C[C@H](O)C,1
kazius_130933-91-4,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,1
kazius_63358-49-6,CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,0
kazius_52315-07-8,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,0
kazius_1904-98-9,Nc1nc(N)c2c(n1)[nH]cn2,0
kazius_16051-77-7,[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,0
kazius_2835-39-4,C=CCOC(=O)CC(C)C,0
kazius_1551-44-6,CCCC(=O)OC1CCCCC1,0
kazius_95741-57-4,Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,1
kazius_23452-05-3,COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,0
kazius_29852-26-4,ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,1
kazius_20927-95-1,[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,1
kazius_3764-01-0,Clc1cc(Cl)nc(n1)Cl,0
kazius_84-56-0,c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,1
kazius_119-75-5,[O-][N+](=O)c1ccccc1Nc1ccccc1,0
kazius_82789-18-2,OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,0
kazius_109-78-4,OCCC#N,0
kazius_66789-78-4,CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,0
kazius_771-97-1,Nc1cc2ccccc2cc1N,1
kazius_133-32-4,OC(=O)CCCc1c[nH]c2c1cccc2,0
kazius_635-27-8,Clc1cccc2c1cccn2,1
kazius_152-20-5,COP(=O)(SC)OC,0
kazius_3648-20-2,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,0
kazius_31431-39-7,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,1
kazius_17241-59-7,OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,0
kazius_96-23-1,ClCC(CCl)O,1
kazius_74014-51-0,O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,0
kazius_7226-23-5,O=C1N(C)CCCN1C,0
kazius_52-86-8,Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,0
kazius_92-67-1,Nc1ccc(cc1)c1ccccc1,1
kazius_874-42-0,O=Cc1ccc(cc1Cl)Cl,0
kazius_117823-31-1,O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,1
kazius_7496-02-8,[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,1
kazius_732-11-6,COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,1
kazius_106807-80-1,CNC(=O)N(C(=O)C)O,1
kazius_65734-38-5,OCc1ccc(cc1)NNC(=O)C,1
kazius_638-03-9,Cc1cccc(c1)N.Cl,0
kazius_148-79-8,c1scc(n1)c1nc2c([nH]1)cccc2,1
kazius_464-43-7,O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,0
kazius_1774-66-9,Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
kazius_4016-11-9,CCOC[C@H]1CO1,1
kazius_999-55-3,C=CCOC(=O)C=C,0
kazius_646-14-0,CCCCCC[N+](=O)[O-],0
kazius_33804-48-7,CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,1
kazius_121-75-5,CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,0
kazius_80-15-9,OOC(c1ccccc1)(C)C,1
kazius_150-60-7,S(Cc1ccccc1)SCc1ccccc1,1
kazius_4437-51-8,CCC(=O)C(=O)CC,1
kazius_75-75-2,CS(=O)(=O)O,0
kazius_4332-51-8,ClCCSCc1ccccc1,1
kazius_2051-10-7,O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,0
kazius_38915-58-1,ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,1
kazius_10453-89-1,CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,0
kazius_55256-53-6,Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,1
kazius_461-58-5,NC(=N)NC#N,1
kazius_580-15-4,Nc1ccc2c(c1)cccn2,0
kazius_78-51-3,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,0
kazius_2657-25-2,Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
kazius_74-95-3,BrCBr,1
kazius_619-25-0,OCc1cccc(c1)[N+](=O)[O-],0
kazius_72-14-0,Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,0
kazius_7203-89-6,Cc1ccc(cc1)/N=N/N(C)C,1
kazius_112022-09-0,CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,1
kazius_51410-45-8,COc1ccc(cc1)C[C@@H]1OC1,1
kazius_1769-41-1,O/N=C/C(=O)Nc1ccccc1,0
kazius_142713-65-3,COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,1
kazius_13014-24-9,Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,1
kazius_1107-26-2,O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,0
kazius_1594-56-5,N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_499-75-2,CC(c1ccc(c(c1)O)C)C,0
kazius_553-26-4,n1ccc(cc1)c1ccncc1,1
kazius_37364-66-2,OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,0
kazius_110-13-4,CC(=O)CCC(=O)C,0
kazius_100-16-3,NNc1ccc(cc1)[N+](=O)[O-],1
kazius_54-16-0,OC(=O)Cc1c[nH]c2c1cc(O)cc2,0
kazius_125974-06-3,O[C@@H]1OC(=O)C=C1CCl,1
kazius_6197-30-4,CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,0
kazius_2475-45-8,O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,1
kazius_6237-24-7,CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,1
kazius_1162-65-8,COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,1
kazius_148193-33-3,COc1nsc2c1ccc(c2)N,1
kazius_75-09-2,ClCCl,1
kazius_577-71-9,Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_51568-18-4,OC(=O)CCC(=O)CC(=O)C,0
kazius_420-12-2,S1CC1,1
kazius_496-14-0,O1Cc2c(C1)cccc2,1
kazius_65271-80-9,OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,1
kazius_96563-08-5,Cc1cccc2c1-c1ccccc1[C@@H]2C,1
kazius_331-39-5,OC(=O)/C=C/c1ccc(c(c1)O)O,0
kazius_130-26-7,Ic1cc(Cl)c2c(c1O)nccc2,0
kazius_146795-46-2,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],1
kazius_99-54-7,[O-][N+](=O)c1ccc(c(c1)Cl)Cl,1
kazius_135086-92-9,O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,1
kazius_38083-17-9,Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,0
kazius_963-89-3,Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,1
kazius_610-48-0,Cc1cccc2c1cc1ccccc1c2,0
kazius_149-29-1,O=C1OC2=CCO[C@H](C2=C1)O,0
kazius_215-58-7,c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
kazius_58086-32-1,COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,1
kazius_641-38-3,Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,0
kazius_27532-75-8,Cc1ccc2c(c1)c(C)c1c(c2)cccc1,1
kazius_2358-84-1,O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,0
kazius_123-05-7,CCCC[C@H](C=O)CC,0
kazius_15176-29-1,OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,0
kazius_58-93-5,Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,0
kazius_89-83-8,Cc1ccc(c(c1)O)C(C)C,0
kazius_2457-47-8,Clc1cncc(c1)Cl,0
kazius_129018-59-3,Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,1
kazius_73-49-4,CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,0
kazius_655-86-7,Nc1cc2nc3ccccc3nc2cc1N,1
kazius_109143-18-2,ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,1
kazius_6203-18-5,O=C/C=C/c1ccc(cc1)N(C)C,0
kazius_318-98-9,O[C@@H](COc1cccc2c1cccc2)CNC(C)C,0
kazius_286-20-4,C1CC[C@H]2[C@@H](C1)O2,1
kazius_100-52-7,O=Cc1ccccc1,0
kazius_56355-17-0,OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,0
kazius_20020-02-4,Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,0
kazius_151378-34-6,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,1
kazius_129927-37-3,CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,0
kazius_2403-28-3,O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,0
kazius_60-93-5,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,0
kazius_626-16-4,ClCc1cccc(c1)CCl,0
kazius_542-85-8,CCN=C=S,0
kazius_3114-70-3,N[C@@H]1CC[C@H](CC1)N,0
kazius_120404-26-4,OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,1
kazius_1806-29-7,Oc1ccccc1c1ccccc1O,0
kazius_3671-78-1,O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,1
kazius_58-27-5,O=C1C=C(C)C(=O)c2c1cccc2,1
kazius_811-97-2,FCC(F)(F)F,0
kazius_26002-80-2,CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,1
kazius_113393-59-2,OCc1ccc2-c1cc(ccc2C)C(=C)C,1
kazius_6051-98-5,O=C1c2ccccc2-c2c1ccc1c2cccc1,1
kazius_66194-68-1,CC[C@H](OS(=O)(=O)C)C,1
kazius_98-08-8,FC(c1ccccc1)(F)F,0
kazius_75464-11-8,CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,1
kazius_66267-19-4,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,1
kazius_35287-69-5,COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,0
kazius_2783-94-0,Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],0
kazius_16048-37-6,N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,1
kazius_2461-43-0,c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,1
kazius_2693-46-1,Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,1
kazius_5422-34-4,OCCNC(=O)[C@H](O)C,1
kazius_106-23-0,O=CC[C@H](CCC=C(C)C)C,0
kazius_94055-76-2,Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,0
kazius_555-77-1,ClCCN(CCCl)CCCl,0
kazius_13345-62-5,ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
kazius_589-17-3,ClCc1ccc(cc1)Br,0
kazius_522-06-5,COc1c2OCOc2cc2c1nc1occc1c2OC,1
kazius_1768-31-6,ClC(C(=O)C(Cl)(Cl)Cl)Cl,1
kazius_153954-29-1,OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,1
kazius_2404-44-6,CCCCCCCC[C@H]1CO1,0
kazius_91-93-0,O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,1
kazius_40568-90-9,Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
kazius_96-48-0,O=C1CCCO1,0
kazius_3268-87-9,Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,0
kazius_82486-82-6,CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],1
kazius_617-35-6,CCOC(=O)C(=O)C,0
kazius_683-51-2,ClC(=C)C=O,1
kazius_111-84-2,CCCCCCCCC,0
kazius_517-66-8,COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,1
kazius_13676-54-5,O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,0
kazius_71708-92-4,CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,1
kazius_552-16-9,[O-][N+](=O)c1ccccc1C(=O)O,1
kazius_134998-79-1,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,1
kazius_90147-21-0,CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_1732-29-2,Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
kazius_95-68-1,Cc1ccc(c(c1)C)N,1
kazius_27729-98-2,Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,0
kazius_119-15-3,Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_622-96-8,CCc1ccc(cc1)C,0
kazius_286-75-9,C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,0
kazius_881-03-8,[O-][N+](=O)c1c(C)ccc2c1cccc2,1
kazius_100310-95-0,O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,1
kazius_591-17-3,Cc1cccc(c1)Br,0
kazius_1466-88-2,O=C/C=C/c1ccccc1[N+](=O)[O-],1
kazius_2212-67-1,CCSC(=O)N1CCCCCC1,0
kazius_103-83-3,CN(Cc1ccccc1)C,0
kazius_108618-29-7,N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,1
kazius_62-23-7,OC(=O)c1ccc(cc1)[N+](=O)[O-],1
kazius_98736-49-3,O=NN(Cc1cccc(c1)C#N)C,1
kazius_108-38-3,Cc1cccc(c1)C,0
kazius_101-02-0,c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,0
kazius_156-59-2,Cl/C=C\Cl,0
kazius_155379-82-1,Nc1cc(C)c(c(c1)[N+](=O)[O-])N,1
kazius_5908-27-0,O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,1
kazius_14064-58-5,COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_2687-41-4,CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,1
kazius_518-82-1,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,1
kazius_624-92-0,CSSC,0
kazius_5667-20-9,ONc1ncnc2c1nc[nH]2,1
kazius_159092-80-5,[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_764-42-1,N#C/C=C/C#N,0
kazius_28657-80-9,CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,1
kazius_100-22-1,CN(c1ccc(cc1)N(C)C)C,1
kazius_67-99-2,OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,0
kazius_102873-32-5,[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_505-70-4,OC(=O)/C=C/C=C/C(=O)O,0
kazius_126-72-7,BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,1
kazius_621-31-8,CCNc1cccc(c1)O,1
kazius_26946-33-8,Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,1
kazius_611-34-7,Nc1cccc2c1cccn2,1
kazius_16650-32-1,Fc1ccc(c2c1nccc2)F,1
kazius_1214-32-0,Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
kazius_78111-17-8,CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,0
kazius_107673-63-2,[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,1
kazius_50935-04-1,N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,1
kazius_129401-88-3,C=CC(=O)N1CCN(CC1)c1ccccc1,0
kazius_123-11-5,COc1ccc(cc1)C=O,0
kazius_103-17-3,Clc1ccc(cc1)SCc1ccc(cc1)Cl,0
kazius_319-84-6,Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,0
kazius_5234-68-4,O=C(C1=C(C)OCCS1)Nc1ccccc1,0
kazius_2597-03-7,CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,0
kazius_333-41-5,CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0
kazius_59804-37-4,O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,0
kazius_56438-59-6,COc1ccc(cc1)CC[C@@H]1OC1,1
kazius_298-02-2,CCSCSP(=S)(OCC)OCC,0
kazius_96014-36-7,[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,1
kazius_112-34-5,CCCCOCCOCCO,0
kazius_1319-77-3,Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,0
kazius_129117-54-0,COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,1
kazius_21711-71-7,O=Nc1ccccc1c1ccccc1,1
kazius_91-63-4,Cc1ccc2c(n1)cccc2,1
kazius_113163-22-7,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,1
kazius_96-18-4,ClCC(CCl)Cl,1
kazius_105-13-5,OCc1ccc(cc1)OC,0
kazius_97055-38-4,CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,1
kazius_1711-06-4,Cc1cccc(c1)C(=O)Cl,1
kazius_106636-46-8,O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],1
kazius_120-71-8,COc1ccc(cc1N)C,1
kazius_7570-37-8,COc1ccc(cc1)/C=C/c1ccc(cc1)N,1
kazius_22788-18-7,ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,1
kazius_551-06-4,S=C=Nc1cccc2c1cccc2,1
kazius_480-22-8,Oc1cccc2c1c(O)c1c(c2)cccc1O,0
kazius_21739-91-3,COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],1
kazius_5862-77-1,CCOc1ccc(cc1N)N,1
kazius_1591-56-6,CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,1
kazius_98911-08-1,Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,1
kazius_108354-48-9,Nc1nc2c(n1C)c(C)cc1c2nccn1,1
kazius_145-39-1,Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,0
kazius_464-10-8,BrC([N+](=O)[O-])(Br)Br,1
kazius_33372-39-3,OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,1
kazius_109883-99-0,O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,1
kazius_123-66-0,CCCCCC(=O)OCC,0
kazius_16582-03-9,Nc1cccc2c1nc1cccc(c1n2)N,1
kazius_134109-03-8,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,1
kazius_60768-66-3,[O-][N+](=O)c1ccc2c(c1)cns2,1
kazius_57404-88-3,O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,1
kazius_96-54-8,Cn1cccc1,0
kazius_159092-69-0,[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],1
kazius_70021-99-7,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
kazius_532-28-5,O[C@@H](c1ccccc1)C#N,0
kazius_14191-22-1,[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,1
kazius_122547-49-3,C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],0
kazius_99-30-9,[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,1
kazius_80-46-6,CCC(c1ccc(cc1)O)(C)C,0
kazius_50-70-4,OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,0
kazius_108-44-1,Cc1cccc(c1)N,0
kazius_2257-09-2,S=C=NCCc1ccccc1,1
kazius_104-88-1,O=Cc1ccc(cc1)Cl,0
kazius_344-07-0,Fc1c(F)c(F)c(c(c1F)Cl)F,0
kazius_27730-03-6,O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],0
kazius_127128-50-1,CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
kazius_102-07-8,O=C(Nc1ccccc1)Nc1ccccc1,0
kazius_809-73-4,CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,0
kazius_101901-08-0,CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,0
kazius_132742-01-9,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,1
kazius_120812-50-2,[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,1
kazius_699-18-3,[O-][N+](=O)/C=C/c1ccco1,0
kazius_523-47-7,CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,0
kazius_3958-60-9,BrCc1ccccc1[N+](=O)[O-],0
kazius_18172-67-3,C=C1CC[C@H]2C[C@@H]1C2(C)C,0
kazius_75-21-8,O1CC1,1
kazius_32341-80-3,C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,0
kazius_1088-56-8,Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,1
kazius_104-03-0,OC(=O)Cc1ccc(cc1)[N+](=O)[O-],1
kazius_63017-87-8,[O-][N+](=O)c1ccc2c(c1C)cccc2,1
kazius_100-47-0,N#Cc1ccccc1,0
kazius_26541-56-0,CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,1
kazius_130933-92-5,c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,1
kazius_80-82-0,[O-][N+](=O)c1ccccc1S(=O)(=O)O,0
kazius_21919-05-1,NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_3234-02-4,OC/C(=C(/CO)\Br)/Br,1
kazius_2980-32-7,Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,1
kazius_71400-33-4,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],1
kazius_121153-49-9,O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,1
kazius_103-23-1,CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,0
kazius_18699-02-0,OC(=O)Cc1ccc(cc1)NC(=O)C,0
kazius_123447-62-1,O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,0
kazius_57781-14-3,CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,0
kazius_115314-17-5,[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,1
kazius_67-20-9,O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_2493-84-7,CCCCCCCCOc1ccc(cc1)C(=O)O,0
kazius_129-73-7,CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,0
kazius_670-54-2,N#CC(=C(C#N)C#N)C#N,0
kazius_104953-00-6,N#Cc1ccc(cc1)[C@]1(C)OC1,1
kazius_113600-17-2,Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,1
kazius_60827-45-4,OC[C@@H](CCl)O,1
kazius_118-96-7,[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
kazius_108-99-6,Cc1cccnc1,0
kazius_33685-60-8,[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],0
kazius_50-06-6,CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,1
kazius_55-63-0,[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],1
kazius_3066-70-4,CC(=C)C(=O)OC[C@@H](CBr)Br,1
kazius_106626-55-5,CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,1
kazius_79305-82-1,Nc1ccc(cc1)/C=C/c1cccc(c1)N,1
kazius_24325-70-0,Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_38915-40-1,CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,1
kazius_4643-05-4,OC/C=C/Cl,1
kazius_92134-96-8,OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,1
kazius_55965-84-9,Cn1sc(cc1=O)Cl.Cn1sccc1=O,1
kazius_110-80-5,OCCOCC,0
kazius_90421-79-7,c1ccc2c(c1)c(OC[C@H]1CO1)ns2,1
kazius_35077-51-1,CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,0
kazius_5296-38-8,O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,1
kazius_31464-26-3,CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,1
kazius_131-73-7,[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_29964-84-9,CC(CCCCCCCOC(=O)C(=C)C)C,0
kazius_17573-23-8,C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1
kazius_7696-62-0,CCCCOc1ccc(cc1)N=O,1
kazius_5447-99-4,CC[C@H]([N+](=O)[O-])[C@H](O)C,0
kazius_7665-72-7,CC(OC[C@@H]1OC1)(C)C,1
kazius_74339-98-3,O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,1
kazius_117467-28-4,CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,0
kazius_797-63-7,C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,0
kazius_6281-32-9,OCc1ccnc2c1cccc2,0
kazius_580-16-5,Oc1ccc2c(c1)cccn2,0
kazius_2498-75-1,Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,1
kazius_3244-54-0,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],1
kazius_17075-03-5,Nc1cc2cccc3c2c2c1cccc2cc3,1
kazius_74-96-4,CCBr,1
kazius_503-30-0,C1CCO1,1
kazius_57835-92-4,[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,1
kazius_61396-61-0,c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,1
kazius_7493-63-2,C=CCOC(=O)c1ccccc1N,0
kazius_504-29-0,Nc1ccccn1,0
kazius_123-72-8,CCCC=O,0
kazius_2873-97-4,C=CC(=O)NC(CC(=O)C)(C)C,0
kazius_24934-91-6,CCOP(=S)(SCCl)OCC,0
kazius_618-46-2,Clc1cccc(c1)C(=O)Cl,1
kazius_58775-50-1,CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,1
kazius_6334-18-5,O=Cc1cccc(c1Cl)Cl,0
kazius_112-95-8,CCCCCCCCCCCCCCCCCCCC,0
kazius_127-47-9,CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,0
kazius_100-17-4,COc1ccc(cc1)[N+](=O)[O-],1
kazius_68053-32-7,O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,1
kazius_141-04-8,CC(COC(=O)CCCCC(=O)OCC(C)C)C,0
kazius_105836-99-5,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],1
kazius_95-80-7,Nc1ccc(c(c1)N)C,1
kazius_74-11-3,OC(=O)c1ccc(cc1)Cl,0
kazius_610-30-0,[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],1
kazius_80-52-4,C[C@]1(N)CC[C@H](CC1)C(N)(C)C,0
kazius_2475-46-9,OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,1
kazius_115664-49-8,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,1
kazius_148193-34-4,COc1nsc2c1cc(OC[C@H]1CO1)cc2,1
kazius_105-74-8,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,0
kazius_1070-13-9,CCCC(=C)C=O,1
kazius_226-36-8,c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,1
kazius_1817-73-8,[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,1
kazius_556-52-5,OC[C@H]1CO1,1
kazius_4548-53-2,Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],0
kazius_135086-93-0,Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
kazius_7119-89-3,ClC([N+](=O)[O-])Cl,1
kazius_817-99-2,[N-]=[N+]=CC(=O)NCC(=O)N,1
kazius_73-31-4,COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,0
kazius_139-40-2,CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0
kazius_129-43-1,Oc1cccc2c1C(=O)c1ccccc1C2=O,1
kazius_99-55-8,[O-][N+](=O)c1ccc(c(c1)N)C,1
kazius_108-50-9,Cc1cncc(n1)C,1
kazius_104-94-9,COc1ccc(cc1)N,1
kazius_610-49-1,Nc1cccc2c1cc1ccccc1c2,1
kazius_102-13-6,CC(COC(=O)Cc1ccccc1)C,0
kazius_63390-11-4,Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,1
kazius_585-07-9,CC(=C)C(=O)OC(C)(C)C,0
kazius_19660-16-3,Br[C@H](CBr)COC(=O)C=C,1
kazius_83504-80-7,O=Nc1ccc(cc1)Sc1ccccc1,1
kazius_107-70-0,COC(CC(=O)C)(C)C,0
kazius_609-65-4,ClC(=O)c1ccccc1Cl,1
kazius_78415-72-2,N#Cc1cc(c2ccncc2)c([nH]c1=O)C,0
kazius_139-59-3,Nc1ccc(cc1)Oc1ccccc1,1
kazius_111-30-8,O=CCCCC=O,1
kazius_33399-00-7,CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,0
kazius_109143-19-3,ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,1
kazius_84174-20-9,COc1ccc(cc1)CN(N=O)C,0
kazius_106-90-1,C=CC(=O)OC[C@H]1CO1,1
kazius_13071-79-9,CCOP(=S)(SCSC(C)(C)C)OCC,0
kazius_95-14-7,c1ccc2c(c1)[nH]nn2,1
kazius_321-60-8,Fc1ccccc1c1ccccc1,0
kazius_91-58-7,Clc1ccc2c(c1)cccc2,0
kazius_34592-47-7,OC(=O)[C@@H]1CSCN1,0
kazius_2634-33-5,Oc1nsc2c1cccc2,0
kazius_2008-39-1,OC(=O)COc1ccc(cc1Cl)Cl.CNC,0
kazius_5064-31-3,OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],0
kazius_97509-27-8,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,1
kazius_5355-16-8,COc1cc(ccc1OC)Cc1cnc(nc1N)N,1
kazius_98451-51-5,OCc1c(N)cccc1[N+](=O)[O-],0
kazius_626-17-5,N#Cc1cccc(c1)C#N,0
kazius_28322-02-3,CC(=O)Nc1cccc2c1-c1ccccc1C2,1
kazius_22181-94-8,CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,0
kazius_104-28-9,CCOCCOC(=O)/C=C/c1ccc(cc1)OC,0
kazius_6341-85-1,C[C@@]1(CO1)[C@H]1CO1,1
kazius_821-95-4,CCCCCCCCCC=C,0
kazius_5694-00-8,NC(=O)[C@H]1CO1,1
kazius_539-21-9,NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,1
kazius_123-42-2,CC(=O)CC(O)(C)C,0
kazius_2912-62-1,Cl[C@@H](c1ccccc1)C(=O)Cl,1
kazius_538-41-0,Nc1ccc(cc1)/N=N/c1ccc(cc1)N,1
kazius_67-45-8,O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_1007-28-9,CCNc1nc(N)nc(n1)Cl,0
kazius_105596-42-7,[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,1
kazius_72848-48-7,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],1
kazius_106-24-1,OC/C=C(\CCC=C(C)C)/C,0
kazius_122-62-3,CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,0
kazius_21314-05-6,[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,1
kazius_589-18-4,OCc1ccc(cc1)C,0
kazius_994-05-8,CCC(OC)(C)C,0
kazius_95-50-1,Clc1ccccc1Cl,0
kazius_1148-79-4,c1ccc(nc1)c1cccc(n1)c1ccccn1,1
kazius_612-83-9,Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,1
kazius_114451-08-0,[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,1
kazius_51042-51-4,[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],1
kazius_34331-95-8,BrCc1c2ccccc2c(c2c1cccc2)C,1
kazius_65-85-0,OC(=O)c1ccccc1,0
kazius_94-70-2,CCOc1ccccc1N,0
kazius_1520-21-4,C=Cc1ccc(cc1)N,1
kazius_95-69-2,Clc1ccc(c(c1)C)N,1
kazius_88020-91-1,OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,0
kazius_98025-31-1,OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,1
kazius_67411-86-3,OCc1cc2ccccc2c2c1c1ccccc1cc2,1
kazius_71422-67-8,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,0
kazius_580-22-3,Nc1ccc2c(n1)cccc2,1
kazius_69304-47-8,Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,0
kazius_2747-04-8,BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,0
kazius_85-98-3,CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,0
kazius_103-84-4,CC(=O)Nc1ccccc1,0
kazius_544-16-1,CCCCON=O,1
kazius_563-04-2,Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0
kazius_586-78-7,Brc1ccc(cc1)[N+](=O)[O-],1
kazius_42373-04-6,C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,1
kazius_155379-83-2,Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,1
kazius_57470-96-9,CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,0
kazius_518-83-2,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,1
kazius_3524-68-3,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,0
kazius_634-90-2,Clc1cc(Cl)c(c(c1)Cl)Cl,0
kazius_4651-67-6,O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
kazius_159092-81-6,[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_98644-23-6,OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],1
kazius_68641-49-6,O=C1OCCN1P(=O)(N1CCOC1=O)Cl,1
kazius_107534-94-1,ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,1
kazius_142-09-6,CCCCCCOC(=O)C(=C)C,0
kazius_5405-53-8,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
kazius_6943-00-6,O=C1CCC(=O)N1c1ccc(cc1)Cl,0
kazius_928-51-8,OCCCCCl,1
kazius_548-93-6,OC(=O)c1cccc(c1N)O,0
kazius_19406-51-0,Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,1
kazius_126-73-8,CCCCOP(=O)(OCCCC)OCCCC,0
kazius_542-56-3,CC(CON=O)C,1
kazius_611-35-8,Clc1ccnc2c1cccc2,1
kazius_48134-75-4,C[n+]1ccc(cc1)c1ccccc1,0
kazius_120-36-5,OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,0
kazius_1937-35-5,Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
kazius_105837-00-1,[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],1
kazius_191-07-1,c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,1
kazius_19246-18-5,N[C@H](C(=O)NCC(=O)O)CS,1
kazius_99-61-6,O=Cc1cccc(c1)[N+](=O)[O-],1
kazius_3048-12-2,[O-][N+](=O)c1ccc(cc1)COc1ccccc1,0
kazius_124489-20-9,O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,1
kazius_2880-58-2,COC1=CC(=O)C=CC1=O,0
kazius_107673-64-3,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1
kazius_6548-29-4,Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],0
kazius_109-55-7,NCCCN(C)C,0
kazius_6483-86-9,O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,1
kazius_334-22-5,ClCCNCCCl,1
kazius_696-54-8,O/N=C/c1ccncc1,0
kazius_1877-73-2,OC(=O)Cc1cccc(c1)[N+](=O)[O-],0
kazius_24961-39-5,BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
kazius_1675-54-3,CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,1
kazius_140-49-8,ClCC(=O)c1ccc(cc1)NC(=O)C,1
kazius_54779-53-2,Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,1
kazius_139-65-1,Nc1ccc(cc1)Sc1ccc(cc1)N,1
kazius_2371-42-8,C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,0
kazius_603-34-9,c1ccc(cc1)N(c1ccccc1)c1ccccc1,0
kazius_88741-67-7,COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,1
kazius_10474-14-3,ClC[C@](CBr)(Br)C,0
kazius_14691-88-4,NC1CC(C)(C)N(C(C1)(C)C)O,1
kazius_121-00-6,COc1ccc(c(c1)C(C)(C)C)O,0
kazius_24463-19-2,ClCc1c2ccccc2cc2c1cccc2,1
kazius_105735-71-5,[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],1
kazius_52819-96-2,COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,1
kazius_1874-12-0,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,1
kazius_111119-29-0,[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,1
kazius_59363-17-6,Clc1ccc(cc1)CC[C@@H]1OC1,1
kazius_2050-92-2,CCCCCNCCCCC,0
kazius_2892-51-5,OC1=C(O)C(=O)C1=O,0
kazius_349-95-1,OCc1ccc(cc1)C(F)(F)F,0
kazius_1248-18-6,Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],0
kazius_627-03-2,CCOCC(=O)O,0
kazius_91-64-5,O=c1ccc2c(o1)cccc2,1
kazius_18868-66-1,CCc1c2ccccc2cc2c1c1ccccc1cc2,0
kazius_65954-42-9,C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,1
kazius_115-11-7,CC(=C)C,0
kazius_573-56-8,Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0
kazius_126-07-8,COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,0
kazius_193-98-6,c1cc2ccc3c4c2c(c1)ccc4cnc3,1
kazius_25148-26-9,ClCc1c2ccccc2c(c2c1cccc2)C,1
kazius_75-52-5,[O-][N+](=O)C,0
kazius_4444-68-2,CCCCN(CC)CC,0
kazius_113058-38-1,Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,1
kazius_7300-59-6,O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,0
kazius_597-25-1,COP(=O)(N1CCOCC1)OC,0
kazius_497-56-3,[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,0
kazius_120-72-9,c1ccc2c(c1)[nH]cc2,0
kazius_4457-41-4,O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],1
kazius_5875-25-2,C[C@H](C(=O)N)Br,1
kazius_102791-32-2,O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],1
kazius_85-68-7,CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,0
kazius_98-15-7,Clc1cccc(c1)C(F)(F)F,0
kazius_78411-56-0,Cc1cnc2c(n1)ccc1c2nc(n1C)N,1
kazius_55256-49-0,Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,0
kazius_68247-85-8,OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1
kazius_108-09-8,CC(C[C@H](N)C)C,0
kazius_13177-25-8,Nc1ccc2c3c1-c1ccccc1-c3ccc2,1
kazius_3375-84-6,C[C@H](CN1C[C@@H](OC1=O)C)O,0
kazius_6850-22-2,Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],1
kazius_555-84-0,O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_88-44-8,Cc1ccc(c(c1)S(=O)(=O)O)N,0
kazius_5343-65-7,BrCC(=O)Nc1ccc(cc1)C,0
kazius_86853-97-6,O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,1
kazius_84-88-8,Oc1ccc(c2c1nccc2)S(=O)(=O)O,1
kazius_51-17-2,c1ccc2c(c1)[nH]cn2,0
kazius_106-30-9,CCCCCCC(=O)OCC,0
kazius_529-49-7,Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,1
kazius_64091-91-4,O=NN(CCCC(=O)c1cccnc1)C,1
kazius_66-71-7,c1ccc2c(n1)c1ncccc1cc2,0
kazius_32828-84-5,CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,1
kazius_3351-30-2,Cc1cccc2c1c1ccc3c(c1cc2)cccc3,1
kazius_759-73-9,CCN(C(=O)N)N=O,1
kazius_17309-86-3,CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,1
kazius_32588-76-4,O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,0
kazius_2719-05-3,CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,0
kazius_620-22-4,N#Cc1cccc(c1)C,0
kazius_530-50-7,NN(c1ccccc1)c1ccccc1,0
kazius_1030-27-9,CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,0
kazius_13394-86-0,Cc1cc(ccc1N)c1ccccc1C,1
kazius_9003-39-8,C=CN1CCCC1=O,0
kazius_148193-29-7,c1cc(OC[C@H]2CO2)c2c(c1)cns2,1
kazius_29761-21-5,CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,0
kazius_16169-16-7,ONc1ccc(cc1)[N+](=O)[O-],1
kazius_25917-90-2,COc1cc(N)c(cc1N)[N+](=O)[O-],1
kazius_98-51-1,Cc1ccc(cc1)C(C)(C)C,0
kazius_47165-04-8,NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,0
kazius_3475-63-6,O=CN(C(=O)N(C)C)C,1
kazius_14129-84-1,O=CC(=C(Cl)Cl)C(Cl)Cl,1
kazius_4376-20-9,CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,0
kazius_108-45-2,Nc1cccc(c1)N,1
kazius_51787-42-9,Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,1
kazius_57470-78-7,CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,0
kazius_91575-28-9,CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
kazius_2437-56-1,CCCCCCCCCCCC=C,0
kazius_102-08-9,S=C(Nc1ccccc1)Nc1ccccc1,0
kazius_60516-11-2,CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
kazius_19881-18-6,S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],1
kazius_3077-12-1,OCCN(c1ccc(cc1)C)CCO,1
kazius_83053-57-0,CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,0
kazius_97136-66-8,Cc1ccc(cc1)/C=C/c1ccc(cc1)N,1
kazius_120812-51-3,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],1
kazius_623-17-6,CC(=O)OCc1ccco1,1
kazius_13360-61-7,CCCCCCCCCCCCCC=C,0
kazius_96-91-3,[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,1
kazius_88-99-3,OC(=O)c1ccccc1C(=O)O,0
kazius_81-63-0,O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,1
kazius_1192-62-7,CC(=O)c1ccco1,1
kazius_684-93-5,O=NN(C(=O)N)C,1
kazius_202-98-2,c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,1
kazius_104-04-1,CC(=O)Nc1ccc(cc1)[N+](=O)[O-],0
kazius_71400-34-5,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],1
kazius_56602-33-6,CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,0
kazius_126-98-7,CC(=C)C#N,0
kazius_67-21-0,CCSCC[C@@H](C(=O)O)N,0
kazius_1596-84-5,CN(NC(=O)CCC(=O)O)C,0
kazius_1646-75-9,CSC(/C=N/O)(C)C,0
kazius_104775-36-2,CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,0
kazius_88-14-2,OC(=O)c1ccco1,0
kazius_84-58-2,N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,0
kazius_52101-40-3,OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
kazius_529-19-1,N#Cc1ccccc1C,0
kazius_58430-01-6,Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,1
kazius_11056-06-7,OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,1
kazius_2922-54-5,OC(=O)CCC(=O)O.[Na+],0
kazius_2782-91-4,CN(C(=S)N(C)C)C,0
kazius_109875-50-5,[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,1
kazius_5221-17-0,Br[C@@H](C=O)CBr,1
kazius_602-60-8,[O-][N+](=O)c1c2ccccc2cc2c1cccc2,1
kazius_92-69-3,Oc1ccc(cc1)c1ccccc1,1
kazius_695-99-8,O=C1C=CC(=O)C(=C1)Cl,0
kazius_122-57-6,CC(=O)/C=C/c1ccccc1,1
kazius_16757-80-5,Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,1
kazius_27758-60-7,NN(c1ccc(cc1)C)c1ccc(cc1)C,1
kazius_104-40-5,CCCCCCCCCc1ccc(cc1)O,0
kazius_83621-06-1,Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,0
kazius_14667-55-1,Cc1cnc(c(n1)C)C,0
kazius_823-86-9,ONc1ccc(cc1)Cl,0
kazius_79455-30-4,C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,0
kazius_606-35-9,COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_316-49-4,Cc1cccc2c1ccc1c2cc2c(c1)cccc2,1
kazius_125-33-7,CCC1(C(=O)NCNC1=O)c1ccccc1,1
kazius_105-39-5,CCOC(=O)CCl,0
kazius_583-78-8,Clc1ccc(c(c1)O)Cl,0
kazius_25082-33-1,c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,1
kazius_1120-71-4,O=S1(=O)CCCO1,1
kazius_4543-63-9,CNC(=O)ONC(=O)NC,1
kazius_74339-99-4,Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,1
kazius_55256-55-8,COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,1
kazius_13177-31-6,[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,1
kazius_111901-39-4,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,1
kazius_580-17-6,Nc1cnc2c(c1)cccc2,1
kazius_112965-21-6,O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,0
kazius_2498-76-2,Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,1
kazius_5910-89-4,Cc1nccnc1C,0
kazius_97-41-6,CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,0
kazius_604-75-1,O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,0
kazius_74-97-5,ClCBr,1
kazius_3083-23-6,ClC([C@H]1OC1)(Cl)Cl,1
kazius_107-35-7,NCCS(=O)(=O)O,0
kazius_23491-44-3,CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,0
kazius_2902-96-7,[O-][N+](=O)[C@@H](CO)C,0
kazius_57775-29-8,O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,0
kazius_818-61-1,OCCOC(=O)C=C,0
kazius_2160-93-2,OCCN(C(C)(C)C)CCO,0
kazius_64431-93-2,C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,0
kazius_528-75-6,O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_71-36-3,CCCCO,0
kazius_482-44-0,CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,1
kazius_36536-46-6,C[C@H]1CC(=O)O1,1
kazius_478-08-0,OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
kazius_159092-76-9,[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],1
kazius_24140-30-5,CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,1
kazius_120-12-7,c1ccc2c(c1)cc1c(c2)cccc1,1
kazius_1421-63-2,CCCC(=O)c1cc(O)c(cc1O)O,1
kazius_155798-37-1,ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,1
kazius_77191-36-7,O=C(Nc1c(C)cccc1C)CN1CCCC1=O,0
kazius_104485-01-0,CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,0
kazius_4463-22-3,CC(=O)N(c1ccc(cc1)c1ccccc1)O,1
kazius_537-92-8,CC(=O)Nc1cccc(c1)C,0
kazius_96918-15-9,c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,1
kazius_125974-08-5,ClCC1=C(Cl)C(=O)O[C@H]1O,1
kazius_7364-25-2,O=c1[nH][nH]c2c1cccc2,0
kazius_93535-04-7,Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,1
kazius_41934-47-8,CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,0
kazius_535-11-5,CCOC(=O)[C@H](Br)C,1
kazius_148193-35-5,COc1nsc2c1ccc(c2)OC[C@H]1CO1,1
kazius_5836-85-1,COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,1
kazius_135086-94-1,COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
kazius_22008-60-2,CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,0
kazius_96346-61-1,OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0
kazius_1456-28-6,C[C@@H]1O[C@@H](C)CN(C1)N=O,1
kazius_3029-19-4,O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_146795-48-4,O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],1
kazius_26328-53-0,S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],0
kazius_129-44-2,Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,1
kazius_99-56-9,[O-][N+](=O)c1ccc(c(c1)N)N,1
kazius_119-47-1,Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,0
kazius_90243-66-6,O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,0
kazius_3070-86-8,CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,0
kazius_3060-89-7,CON(C(=O)Nc1ccc(cc1)Br)C,0
kazius_530-75-6,CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,0
kazius_25155-23-1,Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,0
kazius_585-08-0,c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,1
kazius_63390-12-5,Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,1
kazius_62613-82-5,NC(=O)CN1C[C@@H](CC1=O)O,0
kazius_4698-96-8,c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,1
kazius_13889-92-4,CCCSC(=O)Cl,1
kazius_2212-99-9,O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,1
kazius_62-55-5,CC(=S)N,0
kazius_13925-00-3,CCc1cnccn1,0
kazius_7132-67-4,Oc1ccc2c(c1)c(N)c1c(n2)cccc1,1
kazius_6375-16-2,CC(=O)Nc1ccc(c(c1)N)C,1
kazius_84174-21-0,O=NN(Cc1ccc(cc1)F)C,1
kazius_65002-17-7,SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,0
kazius_5802-60-8,NN(Cc1ccccc1)Cc1ccccc1,0
kazius_114607-46-4,OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,0
kazius_839-90-7,OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,0
kazius_106-91-2,CC(=C)C(=O)OC[C@H]1CO1,1
kazius_5989-27-5,CC1=CC[C@H](CC1)C(=C)C,0
kazius_84434-42-4,Nc1ccc(c(c1C)N)/N=N/c1ccccc1,1
kazius_82414-02-6,O=Nc1cc(ccc1C)[N+](=O)[O-],1
kazius_10387-13-0,ClCc1c2ccccc2c(c2c1cccc2)CCl,1
kazius_82-68-8,Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0
kazius_15625-89-5,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,1
kazius_587-04-2,O=Cc1cccc(c1)Cl,0
kazius_91-59-8,Nc1ccc2c(c1)cccc2,1
kazius_121-47-1,Nc1cccc(c1)S(=O)(=O)O,0
kazius_543-67-9,CCCON=O,1
kazius_4648-33-3,COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_6377-12-4,Nc1ccc2c(c1)c1ccccc1[nH]2,1
kazius_645-49-8,c1ccc(cc1)/C=C/c1ccccc1,0
kazius_54965-24-1,OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0
kazius_85-44-9,O=C1OC(=O)c2c1cccc2,0
kazius_134-20-3,COC(=O)c1ccccc1N,0
kazius_114-26-1,CNC(=O)Oc1ccccc1OC(C)C,1
kazius_121808-62-6,O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,0
kazius_18691-97-9,CNC(=O)N(c1nc2c(s1)cccc2)C,0
kazius_84-64-0,CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,0
kazius_133591-33-0,Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,1
kazius_109-86-4,COCCO,0
kazius_102-50-1,COc1ccc(c(c1)C)N,1
kazius_3234-28-4,CCCCCCCCCCCC[C@H]1CO1,0
kazius_205-99-2,c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,1
kazius_107-05-1,ClCC=C,1
kazius_16238-56-5,BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
kazius_96-31-1,CNC(=O)NC,0
kazius_1785-51-9,O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,1
kazius_918-00-3,CC(=O)C(Cl)(Cl)Cl,1
kazius_528-45-0,[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,1
kazius_101-70-2,COc1ccc(cc1)Nc1ccc(cc1)OC,0
kazius_20268-51-3,[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,0
kazius_524-89-0,COc1c2cc3OCOc3cc2nc2c1cco2,1
kazius_105596-43-8,[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,1
kazius_57564-91-7,O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1
kazius_40277-05-2,ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,1
kazius_2516-93-0,CCCCOCC(=O)O,0
kazius_27093-62-5,Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,1
kazius_23250-39-7,Clc1ccc2c(c1)c(N)c1c(n2)cccc1,1
kazius_95-51-2,Nc1ccccc1Cl,0
kazius_91-95-2,Nc1ccc(cc1N)c1ccc(c(c1)N)N,1
kazius_87-59-2,Cc1c(C)cccc1N,1
kazius_39081-15-7,Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,1
kazius_109-01-3,CN1CCNCC1,0
kazius_105-45-3,COC(=O)CC(=O)C,0
kazius_126572-78-9,OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,1
kazius_136-35-6,c1ccc(cc1)N/N=N/c1ccccc1,1
kazius_151-67-7,Cl[C@@H](C(F)(F)F)Br,0
kazius_145438-97-7,O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,1
kazius_75-83-2,CCC(C)(C)C,0
kazius_2453-44-3,O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,0
kazius_108-21-4,CC(OC(=O)C)C,0
kazius_39515-41-8,N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0
kazius_13171-00-1,CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0
kazius_116539-70-9,CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,1
kazius_24191-98-8,CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,1
kazius_6441-91-4,Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,0
kazius_290-37-9,n1ccncc1,0
kazius_98-46-4,[O-][N+](=O)c1cccc(c1)C(F)(F)F,0
kazius_2486-04-6,[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],1
kazius_52-28-8,OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,0
kazius_554-14-3,Cc1cccs1,0
kazius_88266-67-5,OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1
kazius_475-38-7,O=C1C=CC(=O)c2c1c(O)ccc2O,1
kazius_74340-04-8,O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,1
kazius_484-29-7,COc1c2ccccc2nc2c1cco2,1
kazius_509-93-3,C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,0
kazius_88-75-5,[O-][N+](=O)c1ccccc1O,0
kazius_634-91-3,Nc1cc(Cl)c(c(c1)Cl)Cl,0
kazius_90-30-2,c1ccc(cc1)Nc1cccc2c1cccc2,0
kazius_885-82-5,[O-][N+](=O)c1cc(ccc1O)c1ccccc1,0
kazius_35089-70-4,[O-][N+](=O)NC(=N)N(N=O)CCCCCC,1
kazius_110-21-4,NC(=O)NNC(=O)N,0
kazius_1528-74-1,[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],1
kazius_131-14-6,Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,1
kazius_121-17-5,[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0
kazius_80214-83-1,COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,0
kazius_92433-40-4,CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,1
kazius_2481-94-9,CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,0
kazius_75-17-2,ON=C,0
kazius_211-91-6,c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,1
kazius_611-36-9,Oc1ccnc2c1cccc2,0
kazius_13132-28-0,[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,1
kazius_1805-02-3,COc1ccc2c(c1)nc(n2C)N,1
kazius_140-31-8,NCCN1CCNCC1,0
kazius_486-25-9,O=C1c2ccccc2-c2c1cccc2,0
kazius_54150-69-5,COc1ccc(c(c1)OC)N.Cl,1
kazius_120-37-6,Cc1ccc(cc1NCC)O,1
kazius_2223-82-7,C=CC(=O)OCC(COC(=O)C=C)(C)C,0
kazius_2322-45-4,O=C(C(Br)(C)C)Nc1ccccc1,0
kazius_70951-83-6,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,1
kazius_107673-65-4,[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,1
kazius_766-40-5,O[C@@H]1OC(=O)C(=C1Cl)Cl,1
kazius_3771-19-5,OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,0
kazius_22755-15-3,CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_89459-25-6,CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,1
kazius_710-25-8,NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_28860-95-9,NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,1
kazius_51483-39-7,ClCC(CCl)Br,1
kazius_134-09-8,C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,0
kazius_79-94-7,CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,0
kazius_2381-40-0,Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,1
kazius_87-10-5,Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,0
kazius_603-35-0,c1ccc(cc1)P(c1ccccc1)c1ccccc1,0
kazius_31688-71-8,CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,1
kazius_2461-15-6,CCCC[C@H](COC[C@H]1CO1)CC,1
kazius_88741-68-8,COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,1
kazius_43210-67-9,COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,0
kazius_19686-73-8,C[C@H](CBr)O,1
kazius_2213-00-5,COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,1
kazius_144280-50-2,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],1
kazius_86-30-6,O=NN(c1ccccc1)c1ccccc1,0
kazius_2164-08-1,O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0
kazius_109875-45-8,OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1
kazius_87-29-6,O=C(c1ccccc1N)OC/C=C/c1ccccc1,0
kazius_113163-24-9,c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,1
kazius_81593-13-7,CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,1
kazius_15980-15-1,C1COCCS1,0
kazius_101-59-7,Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],1
kazius_106636-48-0,[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],1
kazius_113058-39-2,Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,1
kazius_614-47-1,O=C(c1ccccc1)/C=C/c1ccccc1,0
kazius_636-21-5,Cc1ccccc1N.Cl,1
kazius_962-32-3,c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,1
kazius_71382-44-0,c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,1
kazius_56258-32-3,O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,1
kazius_645-12-5,OC(=O)c1ccc(o1)[N+](=O)[O-],1
kazius_7195-43-9,O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,1
kazius_72273-04-2,ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,1
kazius_13088-34-1,ClC(=C1C=CC(=O)O1)Cl,1
kazius_10353-98-7,[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,1
kazius_77314-23-9,O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,1
kazius_520-18-3,Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,1
kazius_28164-57-0,Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,0
kazius_3296-90-0,OCC(CBr)(CBr)CO,1
kazius_116208-67-4,Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,1
kazius_4823-47-6,BrCCOC(=O)C=C,1
kazius_102791-33-3,O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],1
kazius_506-87-6,OC(=O)O.N.N,0
kazius_89-25-8,O=C1CC(=NN1c1ccccc1)C,0
kazius_19727-83-4,[O-][N+](=O)c1ccc2c(c1)NCC2,1
kazius_92279-99-7,ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,1
kazius_98-16-8,Nc1cccc(c1)C(F)(F)F,0
kazius_34433-31-3,O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,0
kazius_107-11-9,NCC=C,0
kazius_5709-67-1,[O-][N+](=O)c1nc2c([nH]1)cccc2,1
kazius_1169-60-4,COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],1
kazius_17526-17-9,CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,1
kazius_13177-26-9,Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
kazius_5598-13-0,COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0
kazius_17070-45-0,ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,1
kazius_1222-05-5,C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,0
kazius_88-45-9,Nc1ccc(c(c1)S(=O)(=O)O)N,0
kazius_51-18-3,C1CN1c1nc(nc(n1)N1CC1)N1CC1,1
kazius_66552-77-0,Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,1
kazius_90-00-6,CCc1ccccc1O,0
kazius_123-68-2,CCCCCC(=O)OCC=C,0
kazius_24400-01-9,CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,1
kazius_5679-89-0,[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,0
kazius_2517-98-8,CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,1
kazius_1875-48-5,NN1C(=O)c2c(C1=O)cccc2,0
kazius_3351-31-3,Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,1
kazius_1122-62-9,CC(=O)c1ccccn1,0
kazius_117760-92-6,O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,1
kazius_6795-16-0,COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0
kazius_85721-33-1,Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,1
kazius_34256-82-1,CCOCN(c1c(C)cccc1CC)C(=O)CCl,0
kazius_2210-79-9,Cc1ccccc1OC[C@H]1CO1,1
kazius_60-35-5,CC(=O)N,0
kazius_122-88-3,OC(=O)COc1ccc(cc1)Cl,0
kazius_611-06-3,Clc1ccc(c(c1)Cl)[N+](=O)[O-],1
kazius_90-19-7,COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,1
kazius_95-76-1,Nc1ccc(c(c1)Cl)Cl,0
kazius_626-60-8,Clc1cccnc1,0
kazius_129-20-4,CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,1
kazius_461-72-3,O=C1NCC(=O)N1,0
kazius_53693-66-6,CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,1
kazius_581-28-2,Nc1ccc2c(c1)cc1c(n2)cccc1,1
kazius_89-61-2,Clc1ccc(c(c1)[N+](=O)[O-])Cl,1
kazius_16169-17-8,ONc1ccccc1c1ccccc1,1
kazius_94-96-2,CCC[C@H]([C@H](CO)CC)O,0
kazius_63655-40-3,N#Cc1ccc2c(c1)nc([nH]2)N,1
kazius_101021-43-6,Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
kazius_56980-94-0,O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,0
kazius_931-97-5,N#CC1(O)CCCCC1,0
kazius_59229-75-3,[O-][N+](=O)c1cc(N)c(c(c1)N)C,1
kazius_91575-29-0,CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,1
kazius_134-81-6,O=C(C(=O)c1ccccc1)c1ccccc1,0
kazius_930-22-3,C=C[C@H]1CO1,1
kazius_224-53-3,c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,1
kazius_17831-71-9,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,0
kazius_304-28-9,CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,1
kazius_78-84-2,O=CC(C)C,0
kazius_132742-03-1,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,1
kazius_86-00-0,[O-][N+](=O)c1ccccc1c1ccccc1,0
kazius_93106-60-6,CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,1
kazius_934-73-6,Clc1ccc(cc1)[S@](=O)C,0
kazius_52278-77-0,OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,0
kazius_76-03-9,OC(=O)C(Cl)(Cl)Cl,0
kazius_612-22-6,CCc1ccccc1[N+](=O)[O-],0
kazius_834-28-6,N=C(NC(=N)N)NCCc1ccccc1,0
kazius_28622-66-4,O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,1
kazius_493-52-7,CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,1
kazius_147-47-7,CC1=CC(C)(C)Nc2c1cccc2,0
kazius_120812-52-4,[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],1
kazius_2540-82-1,COP(=S)(SCC(=O)NCC=O)OC,0
kazius_81-64-1,Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,1
kazius_94-11-1,CC(OC(=O)COc1ccc(cc1Cl)Cl)C,0
kazius_110-46-3,CC(CCON=O)C,1
kazius_93957-55-2,OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],0
kazius_637-92-3,CCOC(C)(C)C,0
kazius_1120-36-1,CCCCCCCCCCCCC=C,0
kazius_476-60-8,Oc1ccc(c2c1c(O)c1ccccc1c2O)O,1
kazius_491-92-9,CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,1
kazius_124-18-5,CCCCCCCCCC,0
kazius_1825-21-4,COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,1
kazius_33100-27-5,O1CCOCCOCCOCCOCC1,0
kazius_140-56-7,CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],1
kazius_5408-55-9,[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],1
kazius_85068-73-1,CCN([N+](=O)[O-])CCO[N+](=O)[O-],1
kazius_643-22-1,CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,0
kazius_1640-39-7,CC1=Nc2c(C1(C)C)cccc2,0
kazius_475-80-9,[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,1
kazius_334-48-5,CCCCCCCCCC(=O)O,0
kazius_123-38-6,CCC=O,0
kazius_125579-40-0,O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,0
kazius_19780-11-1,CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,0
kazius_1629-58-9,CCC(=O)C=C,1
kazius_2206-89-5,ClCCOC(=O)C=C,1
kazius_127072-60-0,O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,1
kazius_128-95-0,Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
kazius_83-79-4,COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,0
kazius_111070-55-4,[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,1
kazius_42135-22-8,[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,1
kazius_2940-63-8,COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,0
kazius_4016-14-2,CC(OC[C@@H]1OC1)C,1
kazius_93793-83-0,O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,0
kazius_95-46-5,Cc1ccccc1Br,0
kazius_16757-81-6,Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
kazius_71382-50-8,c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,1
kazius_59863-59-1,Cl[C@@H]1CN(C[C@H]1Cl)N=O,1
kazius_54-85-3,NNC(=O)c1ccncc1,1
kazius_491-26-9,[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,0
kazius_92078-92-7,C/N=N/O,1
kazius_90147-18-5,CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_10125-76-5,O=Nc1ccc(cc1)c1ccccc1,1
kazius_56211-40-6,CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,0
kazius_54854-14-7,CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,0
kazius_70644-19-8,Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,1
kazius_13177-32-7,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,1
kazius_129-09-9,O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,0
kazius_111901-41-8,O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,0
kazius_5845-67-0,CC(C[C@@H]1NC(=O)CNC1=O)C,0
kazius_141691-41-0,N#Cc1ccc2c(c1)nc(n2C)N,1
kazius_580-18-7,Oc1cnc2c(c1)cccc2,0
kazius_6926-44-9,[N-]=[N+]=NCCc1ccccc1,1
kazius_2498-77-3,Cc1cccc2c1c1cc3ccccc3cc1cc2,1
kazius_88-51-7,Nc1cc(Cl)c(cc1S(=O)(=O)O)C,1
kazius_5116-24-5,OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,1
kazius_83435-67-0,CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,0
kazius_102-81-8,CCCCN(CCCC)CCO,0
kazius_213-46-7,c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,1
kazius_7673-09-8,ClNc1nc(NCl)nc(n1)NCl,0
kazius_119914-60-2,C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,0
kazius_56-81-5,OCC(CO)O,0
kazius_16110-13-7,OCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
kazius_193-39-5,c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,1
kazius_613-93-4,CNC(=O)c1ccccc1,0
kazius_2565-01-7,COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,1
kazius_62625-14-3,Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,1
kazius_578-54-1,CCc1ccccc1N,0
kazius_69527-46-4,N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,1
kazius_552-30-7,O=C1OC(=O)c2c1cc(cc2)C(=O)O,0
kazius_19057-60-4,OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,0
kazius_91182-09-1,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,1
kazius_76600-84-5,CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,0
kazius_110-17-8,OC(=O)/C=C/C(=O)O,0
kazius_100-19-6,CC(=O)c1ccc(cc1)[N+](=O)[O-],1
kazius_6728-26-3,CCC/C=C/C=O,1
kazius_146795-30-4,Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_105553-32-0,O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,1
kazius_932-83-2,O=NN1CCCCCC1,1
kazius_66-97-7,O=c1ccc2c(o1)cc1c(c2)cco1,0
kazius_95-82-9,Clc1ccc(c(c1)N)Cl,0
kazius_78914-74-6,CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,1
kazius_105-76-0,CCCCOC(=O)/C=C\C(=O)OCCCC,0
kazius_17557-23-2,CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,1
kazius_62674-12-8,ClC1=C(Cl)C(=O)OC1,1
kazius_148193-36-6,COc1nsc2c1cccc2OC[C@H]1CO1,1
kazius_55610-00-9,O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,1
kazius_99-57-0,[O-][N+](=O)c1ccc(c(c1)N)O,1
kazius_540-73-8,CNNC,0
kazius_363-03-1,O=C1C=CC(=O)C=C1c1ccccc1,0
kazius_78-90-0,NC[C@H](N)C,0
kazius_23045-12-7,Cc1ccc2c(c1)c(N)c1c(n2)cccc1,1
kazius_1576-87-0,CC/C=C/C=O,1
kazius_1555-94-8,CCOc1cccc2c1nccc2,0
kazius_32959-60-7,Cc1ccccc1c1nc2c(o1)cccc2,0
kazius_82-50-8,O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],1
kazius_62-56-6,NC(=S)N,0
kazius_60784-46-5,OCCNC(=O)N(CCCl)N=O,1
kazius_84174-22-1,O=NN(Cc1ccc(cc1)Cl)C,1
kazius_623-24-5,BrCc1ccc(cc1)CBr,0
kazius_89873-24-5,[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
kazius_548-04-9,Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,0
kazius_89837-94-5,O=NN(CC(=O)C)COC(=O)C,1
kazius_106-92-3,C=CCOC[C@H]1CO1,1
kazius_25834-80-4,Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,1
kazius_118745-15-6,O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
kazius_94730-48-0,N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,0
kazius_51-79-6,CCOC(=O)N,1
kazius_473-90-5,O=C(C(=O)O)C(=O)O,0
kazius_478-45-5,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,0
kazius_17987-99-4,OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
kazius_371-40-4,Nc1ccc(cc1)F,1
kazius_2319-96-2,Cc1cc2cc3ccccc3cc2c2c1cccc2,1
kazius_1822-51-1,ClCc1ccncc1,0
kazius_2449-49-2,C[C@@H](c1ccccc1)N(C)C,0
kazius_127045-41-4,OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,0
kazius_836-30-6,[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,0
kazius_94-36-0,O=C(c1ccccc1)OOC(=O)c1ccccc1,0
kazius_115066-03-0,CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,0
kazius_22204-53-1,COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,0
kazius_91540-30-6,C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_621-64-7,CCCN(N=O)CCC,1
kazius_486-56-6,O=C1CC[C@H](N1C)c1cccnc1,0
kazius_25152-84-5,CCCCC/C=C/C=C/C=O,0
kazius_16596-38-6,CC(CN(CC(C)C)N)C,1
kazius_480-19-3,COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,0
kazius_88-21-1,Nc1ccccc1S(=O)(=O)O,1
kazius_36519-91-2,Clc1ccc(cc1)C[C@@H]1OC1,1
kazius_1634-04-4,COC(C)(C)C,0
kazius_84-65-1,O=C1c2ccccc2C(=O)c2c1cccc2,1
kazius_119-84-6,O=C1CCc2c(O1)cccc2,0
kazius_67809-14-7,O=CN(N=O)C,1
kazius_24634-61-5,C/C=C/C=C/C(=O)O.[K+],0
kazius_127-00-4,C[C@H](CCl)O,1
kazius_180913-77-3,CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,1
kazius_581-89-5,[O-][N+](=O)c1ccc2c(c1)cccc2,1
kazius_1709-39-3,CCN(S(=O)(=O)c1ccc(cc1)N)CC,0
kazius_17024-17-8,[O-][N+](=O)c1cccc2c1ccc1c2cccc1,1
kazius_67-47-0,OCc1ccc(o1)C=O,1
kazius_6344-63-4,Nc1cccc2-c3c(Cc12)cccc3,1
kazius_924-42-5,OCNC(=O)C=C,0
kazius_5392-40-5,O=C/C=C(/CCC=C(C)C)\C,0
kazius_20268-52-4,Clc1c2ccc3c(c2cc2c1cccc2)cccc3,1
kazius_93673-31-5,c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,1
kazius_7251-61-8,Cc1cnc2c(n1)cccc2,0
kazius_60-11-7,CN(c1ccc(cc1)/N=N/c1ccccc1)C,1
kazius_32954-58-8,C[C@H](CCC(=O)c1cocc1)O,0
kazius_15254-64-5,Cc1cc(C)c2c(c1)ccc1c2cccc1,1
kazius_127-19-5,CC(=O)N(C)C,0
kazius_16090-02-1,OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],0
kazius_3096-62-6,ONc1cccc(c1C)C,1
kazius_109-02-4,CN1CCOCC1,0
kazius_54-91-1,BrCCC(=O)N1CCN(CC1)C(=O)CCBr,1
kazius_108-22-5,CC(=C)OC(=O)C,0
kazius_8065-41-6,O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,0
kazius_129-15-7,O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,1
kazius_141-97-9,CCOC(=O)CC(=O)C,0
kazius_17057-98-6,Cc1cccc2-c3c([C@H](c12)C)cccc3,1
kazius_98-47-5,[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,0
kazius_74407-29-7,SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,0
kazius_602-01-7,[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],1
kazius_41267-76-9,O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,1
kazius_101-05-3,Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,0
kazius_100986-85-4,CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,0
kazius_1211-40-1,Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],1
kazius_3695-86-1,N#C/C(=C\c1ccco1)/C(=O)OC,0
kazius_78-79-5,C=CC(=C)C,0
kazius_71-43-2,c1ccccc1,0
kazius_67508-87-6,COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,1
kazius_5397-31-9,CCCC[C@H](COCCCN)CC,0
kazius_82-39-3,COc1cccc2c1C(=O)c1c(C2=O)cccc1,1
kazius_152-84-1,O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,0
kazius_100-25-4,[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],1
kazius_13024-49-2,Nc1ccc(cc1)CCc1ccccc1,1
kazius_192-65-4,c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,1
kazius_23564-05-8,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,1
kazius_97672-08-7,N#CCc1cn(c2c1cccc2)N=O,1
kazius_3958-57-4,BrCc1cccc(c1)[N+](=O)[O-],0
kazius_104145-44-0,COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,1
kazius_736-31-2,[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_10312-83-1,COCC=O,1
kazius_933-88-0,ClC(=O)c1ccccc1C,1
kazius_6164-98-3,CN(/C=N/c1ccc(cc1C)Cl)C,0
kazius_3491-12-1,Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,1
kazius_86780-90-7,COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,0
kazius_82085-94-7,NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,0
kazius_4337-51-3,[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,1
kazius_88321-09-9,CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,0
kazius_2107-76-8,Oc1cc(O)c2c(c1)oc(=O)cc2C,0
kazius_3731-39-3,Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,0
kazius_5003-48-5,CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,0
kazius_107673-66-5,[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,1
kazius_185-70-6,C1CCC2(CC1)CO2,0
kazius_7083-63-8,Nc1cccc2c1-c1ccccc1C2,1
kazius_109-57-9,NC(=S)NCC=C,0
kazius_83-44-3,O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
kazius_19077-98-6,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
kazius_183249-37-8,c1ccc2c(c1)ccc1c2c2C=CCc2cc1,1
kazius_158366-45-1,CC(=O)c1cccn1[N+](=O)[O-],1
kazius_55028-70-1,CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,0
kazius_98-83-9,CC(=C)c1ccccc1,0
kazius_623-30-3,O=C/C=C/c1ccco1,0
kazius_4485-12-5,CCCCCCCCCCCCCCCCCC(=O)O.[Li+],0
kazius_133561-39-4,Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],1
kazius_475-75-2,O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,1
kazius_42583-46-0,COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,1
kazius_143-27-1,CCCCCCCCCCCCCCCCN,0
kazius_122-34-9,CCNc1nc(NCC)nc(n1)Cl,0
kazius_152-18-1,COP(=S)(OC)OC,0
kazius_608-93-5,Clc1cc(Cl)c(c(c1Cl)Cl)Cl,0
kazius_2646-17-5,Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,1
kazius_619-89-6,OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_627-05-4,CCCC[N+](=O)[O-],0
kazius_14953-62-9,[O-][N+](=O)c1nc[nH]c1c1ccccc1,1
kazius_100-61-8,CNc1ccccc1,0
kazius_3778-73-2,ClCCN[P@]1(=O)OCCCN1CCCl,1
kazius_28361-96-8,N[C@H](C(=O)O)CSCCCl,1
kazius_9003-01-4,OC(=O)C=C,0
kazius_106636-49-1,Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,1
kazius_98046-72-1,ONc1cnc2c(c1C)nc1n2cccc1C,1
kazius_124-30-1,CCCCCCCCCCCCCCCCCCN,0
kazius_71382-45-1,Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,1
kazius_471-34-1,OC(=O)O.[Ca+2],0
kazius_10353-99-8,[O-][N+](=O)c1ccc2c3c1cccc3C=C2,1
kazius_32066-79-8,OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,1
kazius_35231-44-8,COc1ccc2c(c1)oc(=O)cc2CBr,0
kazius_119-90-4,COc1cc(ccc1N)c1ccc(c(c1)OC)N,1
kazius_78-30-8,Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,1
kazius_102791-34-4,O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],1
kazius_107-12-0,CCC#N,0
kazius_16219-75-3,C/C=C/1\C[C@H]2C[C@@H]1C=C2,0
kazius_79-29-8,CC(C(C)C)C,0
kazius_625-45-6,COCC(=O)O,0
kazius_13177-27-0,Nc1cccc2-c3c4c(-c12)cccc4ccc3,1
kazius_53340-16-2,O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,1
kazius_5709-68-2,[O-][N+](=O)c1nc2c(n1C)cccc2,1
kazius_13010-47-4,ClCCN(C(=O)NC1CCCCC1)N=O,1
kazius_72917-35-2,Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1
kazius_1007-36-9,CNC(=O)Nc1ccccc1,0
kazius_61841-39-2,Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,1
kazius_16423-68-0,O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],0
kazius_262-20-4,c1ccc2c(c1)Sc1c(O2)cccc1,0
kazius_87-66-1,Oc1c(O)cccc1O,1
kazius_87406-72-2,C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,1
kazius_117760-93-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,1
kazius_3351-32-4,Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
kazius_2274-11-5,C=CC(=O)OCCOC(=O)C=C,0
kazius_86674-50-2,O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],1
kazius_121-90-4,ClC(=O)c1cccc(c1)[N+](=O)[O-],1
kazius_80-30-8,Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,0
kazius_101-96-2,CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,0
kazius_142-83-6,C/C=C/C=C/C=O,1
kazius_132-86-5,Oc1cc2ccccc2c(c1)O,1
kazius_139953-95-0,CCCO/C=C/C=C/C=C/C=C/C=C/CC,1
kazius_99-33-2,ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_49562-28-9,CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,0
kazius_135295-00-0,OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,1
kazius_95-77-2,Oc1ccc(c(c1)Cl)Cl,0
kazius_78859-43-5,CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,1
kazius_505-23-7,C1CCSCS1,1
kazius_781-43-1,Cc1c2ccccc2c(c2c1cccc2)C,1
kazius_28434-86-8,Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,1
kazius_26078-25-1,CCNc1cc2oc(=O)cc(c2cc1C)C,0
kazius_581-29-3,Nc1ccc2c(c1)nc1c(c2)cccc1,1
kazius_13608-87-2,CC(=O)c1ccc(c(c1Cl)Cl)Cl,1
kazius_91259-16-4,[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,1
kazius_1165-39-5,COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,1
kazius_790-60-3,c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,1
kazius_470-90-6,CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,0
kazius_108342-09-2,[N-]=[N+]=NC[C@H](C(=O)O)N,1
kazius_122-04-3,ClC(=O)c1ccc(cc1)[N+](=O)[O-],1
kazius_57-92-1,OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,1
kazius_58336-35-9,O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,1
kazius_78-85-3,CC(=C)C=O,1
kazius_132742-04-2,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,1
kazius_2782-57-2,Oc1nc(Cl)nc(n1)Cl,0
kazius_72-48-0,O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,1
kazius_162050-09-1,BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
kazius_959-23-9,COc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
kazius_6393-01-7,Cc1cc(N)c(cc1N)C,1
kazius_612-23-7,ClCc1ccccc1[N+](=O)[O-],1
kazius_99346-49-3,O=c1cn[nH]c(=O)[nH]1.NCCO,1
kazius_844-26-8,Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,1
kazius_25956-17-6,COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],0
kazius_2415-85-2,O=C(Nc1ccc(cc1)C)CC(=O)C,0
kazius_13360-63-9,CCCCNCC,0
kazius_2645-07-0,OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],1
kazius_60692-90-2,c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,1
kazius_54-31-9,OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,0
kazius_89415-69-0,BrCCOC(=O)C(=O)OCCBr,1
kazius_106-87-6,C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,1
kazius_26921-17-5,O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,0
kazius_99520-58-8,Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,1
kazius_60564-31-0,[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,1
kazius_746-53-2,O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_6673-35-4,O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,0
kazius_93261-88-2,BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],1
kazius_88598-56-5,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,1
kazius_420-46-2,CC(F)(F)F,0
kazius_832-69-9,Cc1cccc2c1ccc1c2cccc1,1
kazius_124-19-6,CCCCCCCCC=O,0
kazius_122033-85-6,O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,1
kazius_2798-25-6,COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,1
kazius_92-52-4,c1ccc(cc1)c1ccccc1,0
kazius_88-16-4,Clc1ccccc1C(F)(F)F,0
kazius_108-83-8,CC(CC(=O)CC(C)C)C,0
kazius_99601-30-6,CCn1c(N)nc2c1ccc1c2ncc(n1)C,1
kazius_91134-58-6,CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_122-40-7,CCCCC/C(=C\c1ccccc1)/C=O,0
kazius_2491-06-7,CN(CC(=O)O)C.Cl,0
kazius_3416-21-5,Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,1
kazius_1854-26-8,OCN1[C@H](O)[C@H](N(C1=O)CO)O,1
kazius_97461-40-0,CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_638-07-3,CCOC(=O)CC(=O)CCl,0
kazius_122-59-8,OC(=O)COc1ccccc1,0
kazius_105427-00-7,O=C([C@]1(C)OC1)NCc1ccccc1,1
kazius_1197-55-3,OC(=O)Cc1ccc(cc1)N,1
kazius_2113-57-7,Brc1cccc(c1)c1ccccc1,0
kazius_606-37-1,[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],1
kazius_95-47-6,Cc1ccccc1C,0
kazius_16757-82-7,Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,1
kazius_16354-50-0,CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,0
kazius_33703-08-1,CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,0
kazius_120-80-9,Oc1ccccc1O,0
kazius_38134-58-6,ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1
kazius_621-95-4,Nc1ccc(cc1)CCc1ccc(cc1)N,1
kazius_55256-57-0,Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,1
kazius_962-58-3,CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,1
kazius_90147-19-6,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,1
kazius_494-03-1,ClCCN(c1ccc2c(c1)cccc2)CCCl,1
kazius_17526-24-8,CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,1
kazius_141691-42-1,N#Cc1ccc2c(c1)n(C)c(n2)N,1
kazius_142457-04-3,COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,1
kazius_7779-16-0,O=C(c1ccccc1N)OC1CCCCC1,0
kazius_580-19-8,Nc1ccc2c(c1)nccc2,1
kazius_2186-24-5,Cc1ccc(cc1)OC[C@@H]1OC1,1
kazius_123-75-1,C1CCCN1,0
kazius_102-82-9,CCCCN(CCCC)CCCC,0
kazius_10560-74-4,C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],1
kazius_3083-25-8,ClC(C[C@@H]1OC1)(Cl)Cl,1
kazius_100-01-6,Nc1ccc(cc1)[N+](=O)[O-],1
kazius_104789-46-0,ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,1
kazius_122587-20-6,[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,1
kazius_130040-14-1,CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,1
kazius_94339-55-6,O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,1
kazius_479-92-5,CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,0
kazius_116-54-1,COC(=O)C(Cl)Cl,1
kazius_538-74-9,S(Cc1ccccc1)Cc1ccccc1,0
kazius_6795-23-9,COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,1
kazius_611-13-2,COC(=O)c1ccco1,0
kazius_159092-78-1,[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],1
kazius_1689-89-0,N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,0
kazius_120-14-9,COc1cc(C=O)ccc1OC,0
kazius_1758-68-5,O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,1
kazius_95-83-0,Clc1ccc(c(c1)N)N,1
kazius_91598-91-3,CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,1
kazius_146795-31-5,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,1
kazius_96918-17-1,[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
kazius_94764-55-3,[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,1
kazius_10517-47-2,ONc1ccc(cc1)C(=O)C,1
kazius_78914-75-7,CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,1
kazius_84-11-7,O=C1C(=O)c2ccccc2-c2c1cccc2,0
kazius_56856-83-8,O=NN(COC(=O)C)C,1
kazius_64-17-5,CCO,0
kazius_1340-08-5,Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,0
kazius_131432-92-3,C[C@H](C(=O)NCc1ccccc1)Br,1
kazius_122088-20-4,O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,1
kazius_135086-96-3,CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,1
kazius_52417-22-8,Nc1c2ccccc2nc2c1cccc2.Cl.O,1
kazius_952-97-6,[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,1
kazius_50700-49-7,O=C1C=C/C(=N/C(=O)C)/C=C1,0
kazius_133-06-2,ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,1
kazius_25155-25-3,CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,0
kazius_123-09-1,CSc1ccc(cc1)Cl,0
kazius_6957-71-7,O=CNc1ccc2-c3c(Cc2c1)cccc3,1
kazius_128-66-5,O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,0
kazius_77-09-8,Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,0
kazius_623-25-6,ClCc1ccc(cc1)CCl,0
kazius_106-93-4,BrCCBr,1
kazius_33813-20-6,S=C1SSC2=NCCN12,0
kazius_513-85-9,C[C@H]([C@H](O)C)O,0
kazius_999-29-1,CCOC(=O)CNC(=O)C=[N+]=[N-],1
kazius_99520-64-6,c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,1
kazius_141-43-5,NCCO,0
kazius_36164-42-8,CC(=O)Nc1ccc2c(c1)nccc2,1
kazius_7704-40-7,Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,1
kazius_1912-24-9,CCNc1nc(NC(C)C)nc(n1)Cl,0
kazius_157730-35-3,Cn1c(N)nc2c1cc1ccncc1n2,1
kazius_205-82-3,c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,1
kazius_947-72-8,Clc1cc2ccccc2c2c1cccc2,1
kazius_17722-52-0,O=C(Nc1ccc(cc1)Cl)CCC(=O)O,0
kazius_13909-09-6,ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,1
kazius_142438-62-8,COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,1
kazius_133591-35-2,[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],1
kazius_81340-58-1,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,1
kazius_73198-02-4,OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,0
kazius_107-07-3,OCCCl,1
kazius_17024-18-9,[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,1
kazius_96-33-3,COC(=O)C=C,0
kazius_3694-52-8,[O-][N+](=O)c1cccc(c1N)N,1
kazius_4251-89-2,ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,1
kazius_880-93-3,[O-][N+](=O)c1ccc(c2c1cccc2)C,1
kazius_101-72-4,CC(Nc1ccc(cc1)Nc1ccccc1)C,0
kazius_93673-32-6,c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,1
kazius_6691-68-5,CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,1
kazius_1163-19-5,Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,0
kazius_106-27-4,CCCC(=O)OCCC(C)C,0
kazius_99522-79-9,COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,0
kazius_16301-26-1,CC/N=[N+](/CC)\[O-],0
kazius_137-17-7,Cc1cc(N)c(cc1C)C,1
kazius_91828-72-7,O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,1
kazius_1563-66-2,CNC(=O)Oc1cccc2c1OC(C2)(C)C,0
kazius_95-53-4,Cc1ccccc1N,1
kazius_1122-58-3,CN(c1ccncc1)C,0
kazius_3096-63-7,ONc1c(C)cccc1C,1
kazius_602-87-9,[O-][N+](=O)c1ccc2c3c1cccc3CC2,1
kazius_15403-45-9,COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,1
kazius_142-78-9,CCCCCCCCCCCC(=O)NCCO,0
kazius_79-41-4,CC(=C)C(=O)O,0
kazius_85-82-5,Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,0
kazius_98911-23-0,OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,1
kazius_35300-54-0,CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],1
kazius_104-67-6,CCCCCCC[C@@H]1CCC(=O)O1,0
kazius_139-13-9,OC(=O)CN(CC(=O)O)CC(=O)O,0
kazius_2978-11-2,CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,1
kazius_89-57-6,Nc1ccc(c(c1)C(=O)O)O,0
kazius_8022-00-2,CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,0
kazius_218-08-6,c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,1
kazius_14097-03-1,Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],1
kazius_5522-43-0,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_77-81-6,CCO[P@@](=O)(N(C)C)C#N,0
kazius_2950-01-8,CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0
kazius_634-93-5,Clc1cc(Cl)c(c(c1)Cl)N,0
kazius_367-51-1,OC(=O)CS.[Na+],0
kazius_106-63-8,C=CC(=O)OCC(C)C,0
kazius_5493-45-8,O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,1
kazius_159092-84-9,[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],1
kazius_2855-13-2,NC[C@]1(C)C[C@H](N)CC(C1)(C)C,0
kazius_43192-03-6,ONc1ccc(c(c1)[N+](=O)[O-])C,0
kazius_29082-74-4,ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,0
kazius_3025-52-3,CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,1
kazius_120812-48-8,[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],1
kazius_627-72-5,N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,1
kazius_92118-27-9,ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,1
kazius_481-72-1,OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,1
kazius_112309-61-2,O[C@@H]1OC(=O)C(=C1C)Cl,1
kazius_216-48-8,c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,1
kazius_136112-70-4,Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
kazius_1943-79-9,CNC(=O)Oc1ccccc1,0
kazius_8003-22-3,O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,1
kazius_524-42-5,O=C1C=Cc2c(C1=O)cccc2,1
kazius_540-80-7,O=NOC(C)(C)C,1
kazius_2393-18-2,OC(=O)/C=C/c1ccc(cc1)N,0
kazius_93-27-6,COc1cc(ccc1NC(=O)C)[N+](=O)[O-],1
kazius_485-47-2,O=C1c2ccccc2C(=O)C1(O)O,0
kazius_135561-93-2,NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,0
kazius_91254-92-1,Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],1
kazius_828-00-2,C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,1
kazius_4947-27-7,Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,1
kazius_158366-46-2,[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],1
kazius_118-75-2,ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,1
kazius_108-78-1,Nc1nc(N)nc(n1)N,0
kazius_51787-75-8,Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_488-23-3,Cc1c(C)ccc(c1C)C,0
kazius_138835-33-3,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],1
kazius_6633-40-5,Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],1
kazius_3102-87-2,Cc1c(N)c(C)c(c(c1C)N)C,0
kazius_7779-77-3,CC(COC(=O)c1ccccc1N)C,0
kazius_14953-63-0,[O-][N+](=O)c1n(C)cnc1c1ccccc1,1
kazius_35604-67-2,CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,0
kazius_622-51-5,NC(=O)Nc1ccc(cc1)C,0
kazius_55984-51-5,O=NN(CC(=O)C)C,1
kazius_81593-15-9,ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_139883-82-2,OC(=O)CC[C@@H](C(=O)O)N.O.N,0
kazius_6112-76-1,Sc1ncnc2c1[nH]cn2.O,1
kazius_79-11-8,OC(=O)CCl,0
kazius_80830-42-8,SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,0
kazius_75-55-8,C[C@H]1CN1,1
kazius_98046-73-2,ONc1cnc2c(c1)nc1n2cccc1,1
kazius_27602-80-8,COc1cc(ccc1OC)C[C@H]1CO1,1
kazius_120-75-2,Cc1nc2c(s1)cccc2,0
kazius_196-77-0,c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,1
kazius_38915-38-7,CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,1
kazius_77094-11-2,Cc1cc2ncccc2c2c1n(C)c(n2)N,1
kazius_1028-11-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,0
kazius_2564-83-2,ON1C(C)(C)CCCC1(C)C,0
kazius_25081-31-6,O=NN(CC(=O)O)CC(=O)O,1
kazius_3420-97-1,CCOc1ccc(cc1)N=O,1
kazius_118517-20-7,CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,1
kazius_68041-18-9,OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],1
kazius_61421-82-7,COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
kazius_75605-59-3,C[n+]1c2ccccc2cc2c1cccc2N.Cl,1
kazius_108529-37-9,CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,1
kazius_117-10-2,Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,1
kazius_23445-00-3,OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,1
kazius_25377-73-5,CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,0
kazius_98931-06-7,CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,1
kazius_13177-28-1,[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,1
kazius_102408-25-3,Cn1c(N)nc2c1c1cccnc1cc2,1
kazius_5598-15-2,CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0
kazius_57-57-8,C1COC1=O,1
kazius_50-21-5,OC(=O)[C@H](O)C,0
kazius_76547-98-3,NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,0
kazius_81-11-8,Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,0
kazius_102-77-2,O1CCN(CC1)Sc1nc2c(s1)cccc2,0
kazius_1929-73-3,CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,0
kazius_87679-37-6,CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,0
kazius_90-02-8,O=Cc1ccccc1O,0
kazius_2642-98-0,Nc1cc2c(c3c1cccc3)ccc1c2cccc1,1
kazius_16110-09-1,Clc1ccc(cn1)Cl,0
kazius_709-98-8,CCC(=O)Nc1ccc(c(c1)Cl)Cl,0
kazius_1152-48-3,O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,1
kazius_86674-51-3,O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_448-97-5,Nc1ccc(cc1F)c1ccc(c(c1)F)N,1
kazius_111-94-4,N#CCCNCCC#N,0
kazius_66931-57-5,O(Cc1cccc2c1cccc2)C[C@H]1CO1,1
kazius_70-34-8,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,1
kazius_21340-68-1,COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,0
kazius_142-84-7,CCCNCCC,0
kazius_481-42-5,CC1=CC(=O)c2c(C1=O)cccc2O,1
kazius_24370-25-0,NC(=O)Nc1nc2c([nH]1)cccc2,1
kazius_64099-25-8,COc1nsc2c1cccc2[N+](=O)[O-],1
kazius_140-03-4,CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,0
kazius_393-75-9,[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,0
kazius_75-91-2,OOC(C)(C)C,1
kazius_103088-83-1,O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,1
kazius_90147-31-2,CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_99-34-3,OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_4584-57-0,CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,1
kazius_3344-12-5,CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,0
kazius_6146-52-7,[O-][N+](=O)c1ccc2c(c1)cc[nH]2,1
kazius_95-78-3,Cc1ccc(c(c1)N)C,1
kazius_104671-59-2,CNC(=O)ONC(=O)C,1
kazius_146795-26-8,COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_60883-97-8,Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_31698-14-3,OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,0
kazius_982-57-0,OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],0
kazius_620-25-7,ONc1cccc(c1)C,1
kazius_610-28-6,[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],1
kazius_146-59-8,ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,1
kazius_86607-81-0,[O-][N+](=O)c1cccc2c1oc1c2cccc1,1
kazius_145439-00-5,O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,1
kazius_591-27-5,Nc1cccc(c1)O,1
kazius_59485-08-4,[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,1
kazius_89-63-4,Clc1ccc(c(c1)[N+](=O)[O-])N,1
kazius_60259-80-5,Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],1
kazius_3585-32-8,CN/N=N/C,1
kazius_83-26-1,O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,0
kazius_56980-96-2,O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,1
kazius_144-80-9,CC(=O)NS(=O)(=O)c1ccc(cc1)N,0
kazius_70458-92-3,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,1
kazius_68-89-3,CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],1
kazius_72869-86-4,O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,0
kazius_1649-18-9,Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,0
kazius_107-68-6,CNCCS(=O)(=O)O,0
kazius_579-66-8,CCc1cccc(c1N)CC,1
kazius_612-24-8,N#Cc1ccccc1[N+](=O)[O-],0
kazius_4539-51-9,Nc1ccc2c(c1)[nH]c1c2cccc1,1
kazius_4403-61-6,C/C(=C\C)/C#N,0
kazius_110021-94-8,[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,1
kazius_85-22-3,CCc1c(Br)c(Br)c(c(c1Br)Br)Br,0
kazius_599-79-1,OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,0
kazius_116-85-8,Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,1
kazius_106-88-7,CC[C@H]1CO1,1
kazius_5857-92-1,[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,1
kazius_99520-59-9,Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,1
kazius_4559-64-2,Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,1
kazius_141-38-8,CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,0
kazius_505-60-2,ClCCSCCCl,1
kazius_3025-77-2,Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,1
kazius_146177-60-8,Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,1
kazius_68-04-2,OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],0
kazius_60504-57-6,COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,1
kazius_119-61-9,O=C(c1ccccc1)c1ccccc1,0
kazius_7390-93-4,CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,1
kazius_109-64-8,BrCCCBr,0
kazius_14882-94-1,C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,0
kazius_79660-72-3,FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,1
kazius_88598-57-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,1
kazius_142438-57-1,COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,1
kazius_105467-67-2,Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,0
kazius_57-27-2,O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,0
kazius_88-17-5,Nc1ccccc1C(F)(F)F,0
kazius_148-65-2,CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,0
kazius_99601-31-7,CCn1c(N)nc2c1ccc1c2nc(cn1)C,1
kazius_14098-44-3,O1CCOCCOc2c(OCCOCC1)cccc2,0
kazius_2876-22-4,Nc1cccc2c1nc1ccccc1n2,1
kazius_612-60-2,Cc1ccc2c(c1)nccc2,1
kazius_1072-43-1,C[C@H]1CS1,0
kazius_4560-58-1,O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,0
kazius_71839-05-9,OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
kazius_824-69-1,Oc1cc(Cl)c(cc1Cl)O,0
kazius_97461-41-1,O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,1
kazius_112653-29-9,OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,0
kazius_765-87-7,O=C1CCCCC1=O,1
kazius_6473-13-8,Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,1
kazius_3989-90-0,[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,1
kazius_111070-57-6,[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,1
kazius_121-61-9,CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0
kazius_111-64-8,CCCCCCCC(=O)Cl,1
kazius_101-67-7,CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,0
kazius_62783-49-7,O=NN(Cc1cccc(c1)C)C,1
kazius_1222-98-6,O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_6629-29-4,Nc1cc(N)c(c(c1)[N+](=O)[O-])C,1
kazius_105427-01-8,O=C([C@]1(C)OC1)Nc1ccccc1,1
kazius_80556-89-4,OCCN(CC(=O)O)N=O,1
kazius_7085-85-0,CCOC(=O)C(=C)C#N,0
kazius_86-57-7,[O-][N+](=O)c1cccc2c1cccc2,1
kazius_5460-35-5,O=C1C=C(N)c2c(C1=O)cccc2,1
kazius_74550-97-3,O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,1
kazius_16757-83-8,Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
kazius_553-97-9,O=C1C=CC(=O)C(=C1)C,0
kazius_135768-83-1,Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,0
kazius_115-39-9,Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,0
kazius_56183-24-5,O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,0
kazius_99803-60-8,O=Nc1ccc(cc1C)OP(=S)(OC)OC,1
kazius_79-36-7,ClC(=O)C(Cl)Cl,1
kazius_2082-81-7,O=C(C(=C)C)OCCCCOC(=O)C(=C)C,0
kazius_535-80-8,Clc1cccc(c1)C(=O)O,0
kazius_565-64-0,OC(=O)[C@@H](CCl)Cl,0
kazius_641-90-7,Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,1
kazius_621-96-5,Nc1ccc(cc1)/C=C/c1ccc(cc1)N,1
kazius_1709-52-0,CNS(=O)(=O)c1ccc(cc1)N,0
kazius_55256-58-1,COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,1
kazius_98033-21-7,Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,1
kazius_10087-89-5,C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,1
kazius_145-49-3,Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,1
kazius_108-18-9,CC(NC(C)C)C,0
kazius_4901-51-3,Clc1c(O)cc(c(c1Cl)Cl)Cl,0
kazius_590-17-0,BrCC#N,0
kazius_1951-56-0,CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_57491-68-6,Nc1ccccc1SCSc1ccccc1N,1
kazius_2832-19-1,OCNC(=O)CCl,0
kazius_69839-83-4,ONC(=O)c1ccc(c(c1)O)O,1
kazius_2871-01-4,OCCNc1ccc(cc1[N+](=O)[O-])N,1
kazius_112-80-1,CCCCCCCC/C=C/CCCCCCCC(=O)O,0
kazius_2451-62-9,O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,1
kazius_88-53-9,Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0
kazius_513-31-5,BrCC(=C)Br,1
kazius_33229-34-4,OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,1
kazius_65267-04-1,ClCCN(C(=O)NCC(=O)N)N=O,1
kazius_100-02-7,Oc1ccc(cc1)[N+](=O)[O-],0
kazius_19770-52-6,c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,1
kazius_75607-61-3,ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,1
kazius_6724-53-4,C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,0
kazius_6639-36-7,[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,1
kazius_5273-86-9,C/C=C\c1cc(OC)c(cc1OC)OC,1
kazius_94339-56-7,O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,1
kazius_462-60-2,NC(=O)NCC(=O)O,0
kazius_106-58-1,CN1CCN(CC1)C,0
kazius_70055-49-1,CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],0
kazius_159092-79-2,[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_7085-19-0,OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,0
kazius_2213-63-0,Clc1nc2ccccc2nc1Cl,0
kazius_110-18-9,CN(CCN(C)C)C,0
kazius_95-84-1,Cc1ccc(c(c1)N)O,1
kazius_114460-40-1,Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,1
kazius_146795-32-6,CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_2243-47-2,Nc1cccc(c1)c1ccccc1,1
kazius_64-18-6,OC=O,0
kazius_105052-38-8,[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,1
kazius_148193-38-8,O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,1
kazius_491-64-5,COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,1
kazius_1606-67-3,Nc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_1204-41-7,Nc1ccc(cc1)c1ccccc1C,1
kazius_60414-81-5,C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,1
kazius_2499-95-8,CCCCCCOC(=O)C=C,0
kazius_83996-50-3,CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,1
kazius_3175-89-1,CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,1
kazius_605-94-7,COC1=C(OC)C(=O)C(=CC1=O)C,0
kazius_73536-69-3,COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,0
kazius_83-32-9,c1cc2cccc3c2c(c1)CC3,0
kazius_104-98-3,OC(=O)/C=C/c1c[nH]cn1,0
kazius_10048-13-2,COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1
kazius_135-88-6,c1ccc(cc1)Nc1ccc2c(c1)cccc2,0
kazius_15687-27-1,CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C,0
kazius_31430-15-6,COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,0
kazius_530-78-9,OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,0
kazius_133-07-3,ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,1
kazius_3328-25-4,OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,1
kazius_823-40-5,Nc1cccc(c1C)N,1
kazius_72-55-9,ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,0
kazius_84174-24-3,O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,1
kazius_479-27-6,Nc1cccc2c1c(N)ccc2,1
kazius_201-06-9,c1ccc2c(c1)cc1c3c2cccc3C=C1,1
kazius_75-31-0,CC(N)C,0
kazius_134682-95-4,CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,1
kazius_82419-36-1,CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,1
kazius_97-99-4,OC[C@H]1CCCO1,0
kazius_513-86-0,CC(=O)[C@H](O)C,0
kazius_2058-02-8,[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,1
kazius_33704-61-9,O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,0
kazius_33389-33-2,O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1
kazius_7085-55-4,OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,0
kazius_84434-45-7,Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,1
kazius_217-59-4,c1ccc2c(c1)c1ccccc1c1c2cccc1,1
kazius_15323-35-0,C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,0
kazius_110-54-3,CCCCCC,0
kazius_38915-14-9,ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC.Cl.Cl,1
kazius_192-97-2,c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,1
kazius_3520-42-1,CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],1
kazius_158321-20-1,[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,1
kazius_20921-50-0,C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,1
kazius_2179-59-1,CCCSSCC=C,0
kazius_109-70-6,ClCCCBr,1
kazius_37151-16-9,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],1
kazius_157730-36-4,Cn1c(N)nc2c1cc1cnccc1n2,0
kazius_947-73-9,Nc1cc2ccccc2c2c1cccc2,1
kazius_4533-39-5,CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,1
kazius_17026-81-2,CCOc1ccc(cc1N)NC(=O)C,1
kazius_103-33-3,c1ccc(cc1)/N=N/c1ccccc1,1
kazius_95791-46-1,Clc1cc2c(c3c1cccc3)ccc1c2cccc1,1
kazius_171866-15-2,OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1
kazius_142438-63-9,COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,1
kazius_105500-28-5,O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,1
kazius_142022-84-2,O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,1
kazius_5329-87-3,[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,1
kazius_63-74-1,Nc1ccc(cc1)S(=O)(=O)N,0
kazius_88-23-3,Clc1cc(N)c(c(c1)S(=O)(=O)O)O,0
kazius_125486-24-0,ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,1
kazius_108-90-7,Clc1ccccc1,0
kazius_91897-48-2,C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,1
kazius_93-58-3,COC(=O)c1ccccc1,0
kazius_91379-15-6,CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
kazius_24684-41-1,Cc1cc2CCCc2c2c1c1ccccc1cc2,0
kazius_109-89-7,CCNCC,0
kazius_614-45-9,O=C(c1ccccc1)OOC(C)(C)C,1
kazius_117-05-5,O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,1
kazius_17024-19-0,[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,1
kazius_56-53-1,CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,0
kazius_6755-13-1,CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_77-46-3,CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,0
kazius_613-65-0,CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,1
kazius_96-34-4,COC(=O)CCl,0
kazius_814-78-8,CC(=O)C(=C)C,0
kazius_93673-33-7,c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,1
kazius_101-73-5,CC(Oc1ccc(cc1)Nc1ccccc1)C,0
kazius_122-66-7,c1ccc(cc1)NNc1ccccc1,1
kazius_25413-02-9,CCOC(=O)CNC(=O)[C@H](Br)C,1
kazius_39147-43-8,Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,1
kazius_137-18-8,CC1=CC(=O)C(=CC1=O)C,0
kazius_120065-51-2,c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,1
kazius_22506-53-2,[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],1
kazius_21626-89-1,O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,0
kazius_95-54-5,Nc1ccccc1N,1
kazius_2157-01-9,CCCCCCCCOC(=O)C(=C)C,0
kazius_3096-64-8,ONc1cc(C)ccc1C,1
kazius_105-48-6,ClCC(=O)OC(C)C,0
kazius_25870-67-1,O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_26266-68-2,CC/C=C/[C@H](C=O)CC,0
kazius_17369-59-4,CC/C=C/1\OC(=O)c2c1cccc2,1
kazius_842-07-9,Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,1
kazius_103748-25-0,Clc1ccc2c(c1)nc(n2C)N,1
kazius_1892-54-2,Nc1ccc2c(c1)c1ccccc1cc2,1
kazius_85-83-6,Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,1
kazius_75-86-5,N#CC(O)(C)C,0
kazius_94-74-6,OC(=O)COc1ccc(cc1C)Cl,0
kazius_86247-86-1,O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,0
kazius_75586-70-8,Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,1
kazius_645-45-4,ClC(=O)CCc1ccccc1,1
kazius_5134-49-6,[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,0
kazius_93285-74-6,C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,1
kazius_108-24-7,CC(=O)OC(=O)C,0
kazius_630-17-1,BrCC(C)(C)C,0
kazius_2702-72-9,OC(=O)COc1ccc(cc1Cl)Cl.[Na+],0
kazius_1229-55-6,COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,1
kazius_60719-84-8,O=c1[nH]cc(cc1N)c1ccncc1,0
kazius_89-58-7,Cc1ccc(c(c1)[N+](=O)[O-])C,1
kazius_25637-99-4,Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,0
kazius_128-37-0,Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0
kazius_91-13-4,BrCc1ccccc1CBr,0
kazius_107-44-8,CC(O[P@@](=O)(F)C)C,0
kazius_6217-22-7,O=c1c2cccc3c2c2c(c1=O)cccc2cc3,0
kazius_159092-85-0,[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],1
kazius_85431-61-4,OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,1
kazius_4164-28-7,CN([N+](=O)[O-])C,1
kazius_25103-58-6,CC(CC(C)(C)C)(CC(C)(C)C)S,0
kazius_100-27-6,OCCc1ccc(cc1)[N+](=O)[O-],1
kazius_24085-06-1,CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,1
kazius_96918-24-0,c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,1
kazius_131-17-9,C=CCOC(=O)c1ccccc1C(=O)OCC=C,0
kazius_1116-54-7,OCCN(N=O)CCO,1
kazius_20846-00-8,CC(=[N+]([O-])[O-])C,1
kazius_24225-71-6,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,1
kazius_20589-85-9,Cl/C=C(\C(Cl)Cl)/Cl,1
kazius_491-70-3,Oc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)O)O,0
kazius_30461-65-5,Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,1
kazius_892-21-7,[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,1
kazius_68498-25-9,OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncn1c2ncc1,0
kazius_99-65-0,[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],1
kazius_136112-71-5,Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],1
kazius_64810-99-7,OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
kazius_23256-30-6,C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_476-57-3,COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,1
kazius_185-72-8,O1CCC2(CC1)CO2,1
kazius_69795-73-9,O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,1
kazius_680-31-9,CN(P(=O)(N(C)C)N(C)C)C,0
kazius_5417-50-5,CC(=O)Nc1cnc2c(c1)cccc2,0
kazius_98-85-1,C[C@H](c1ccccc1)O,0
kazius_2417-77-8,BrCc1c2ccccc2cc2c1cccc2,1
kazius_3333-66-2,Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,1
kazius_619-72-7,N#Cc1ccc(cc1)[N+](=O)[O-],0
kazius_111-40-0,NCCNCCN,0
kazius_930-55-2,O=NN1CCCC1,1
kazius_613-35-4,CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,1
kazius_498-21-5,OC(=O)C[C@@H](C(=O)O)C,0
kazius_2461-18-9,CCCCCCCCCCCCOC[C@@H]1OC1,0
kazius_21466-07-9,Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,0
kazius_18024-11-8,Cc1ccc(c2c1n(C)c1c2cccc1)C,1
kazius_161696-98-6,Cc1c(NC)ccc2c1nccn2,1
kazius_138835-34-4,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,1
kazius_6358-07-2,[O-][N+](=O)c1cc(O)c(cc1Cl)N,1
kazius_107-99-3,ClCCN(C)C,1
kazius_100-63-0,NNc1ccccc1,1
kazius_131-53-3,COc1ccc(c(c1)O)C(=O)c1ccccc1O,1
kazius_91-68-9,CCN(c1cccc(c1)O)CC,1
kazius_23043-60-9,Nc1cccc2c1c(N)c1c(n2)cccc1,1
kazius_98-00-0,OCc1ccco1,0
kazius_133331-34-7,CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,1
kazius_75-56-9,C[C@H]1CO1,1
kazius_98046-74-3,[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,1
kazius_557-48-2,CC/C=C/CC/C=C/C=O,0
kazius_28289-54-5,CN1CCC(=CC1)c1ccccc1,0
kazius_63041-76-9,Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,1
kazius_61421-83-8,Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
kazius_107-14-2,ClCC#N,0
kazius_16664-45-2,Cc1cc(C)c2c(c1)c1ccccc1cc2,1
kazius_98931-07-8,C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,1
kazius_13177-29-2,[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,1
kazius_75590-19-1,[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,1
kazius_2923-68-4,OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,0
kazius_5332-73-0,COCCCN,0
kazius_102408-26-4,CNc1nc2c(n1C)ccc1c2cccn1,1
kazius_5131-60-2,Nc1ccc(c(c1)N)Cl,1
kazius_92-84-2,c1ccc2c(c1)Sc1c(N2)cccc1,0
kazius_107027-12-3,CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,1
kazius_607-30-7,ONc1cccc2c1cccc2,1
kazius_105360-93-8,Oc1cc2ccc3c4c2c(n1)ccc4ccc3,1
kazius_117022-35-2,O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,1
kazius_7177-48-2,N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,0
kazius_26227-73-6,CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,1
kazius_594-70-7,CC([N+](=O)[O-])(C)C,0
kazius_57333-96-7,O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,0
kazius_97467-07-7,O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,1
kazius_66-75-1,ClCCN(c1cnc(nc1O)O)CCCl,1
kazius_2444-36-2,OC(=O)Cc1ccccc1Cl,0
kazius_6088-51-3,Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,0
kazius_326-61-4,CC(=O)OCc1ccc2c(c1)OCO2,0
kazius_1066-33-7,OC(=O)O.N,0
kazius_117760-95-9,Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],1
kazius_121-92-6,OC(=O)c1cccc(c1)[N+](=O)[O-],1
kazius_24777-14-8,COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
kazius_611-09-6,O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],1
kazius_64099-26-9,COc1nsc2c1c(ccc2)[N+](=O)[O-],1
kazius_112725-15-2,O=NN(CC(=O)COC(=O)C)C,1
kazius_55-98-1,CS(=O)(=O)OCCCCOS(=O)(=O)C,1
kazius_139953-97-2,CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,1
kazius_1467-79-4,CN(C#N)C,0
kazius_6422-86-2,CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,0
kazius_103554-58-1,CN(CCNC(=O)n1c2ccccc2c(=O)c2c1cccc2)C,1
kazius_99-35-4,[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_108-30-5,O=C1CCC(=O)O1,0
kazius_1571-08-0,COC(=O)c1ccc(cc1)C=O,0
kazius_3160-37-0,CC(=O)/C=C/c1ccc2c(c1)OCO2,0
kazius_540-51-2,OCCBr,1
kazius_146795-27-9,COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_555-03-3,COc1cccc(c1)[N+](=O)[O-],0
kazius_119-26-6,NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_2648-51-3,O=CC=C(Cl)Cl,1
kazius_130796-74-6,OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,0
kazius_491-59-8,Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,1
kazius_519-73-3,c1ccc(cc1)C(c1ccccc1)c1ccccc1,0
kazius_1484-12-4,Cn1c2ccccc2c2c1cccc2,1
kazius_98-55-5,CC1=CC[C@H](CC1)C(O)(C)C,0
kazius_3290-92-4,CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,1
kazius_60599-38-4,O=NN(CC(=O)C)CC(=O)C,1
kazius_229-87-8,c1ccc2c(c1)cnc1c2cccc1,1
kazius_81840-15-5,COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,0
kazius_26196-04-3,CO[C@@H]1OC1(C)C,1
kazius_78-87-5,ClC[C@H](Cl)C,1
kazius_76-06-2,ClC([N+](=O)[O-])(Cl)Cl,1
kazius_138580-44-6,O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,1
kazius_110-30-5,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,0
kazius_100-33-4,NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,0
kazius_612-25-9,OCc1ccccc1[N+](=O)[O-],0
kazius_1838-56-8,CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,0
kazius_1468-95-7,OCc1c2ccccc2cc2c1cccc2,1
kazius_57471-01-9,O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,0
kazius_5326-87-4,BrCC(=O)Nc1ccccc1,0
kazius_943-93-1,C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,0
kazius_7696-12-0,O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,1
kazius_75-26-3,CC(Br)C,1
kazius_621-42-1,CC(=O)Nc1cccc(c1)O,0
kazius_124-02-7,C=CCNCC=C,0
kazius_146818-20-4,CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_101328-75-0,CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1
kazius_1126-76-7,C([C@@H]1OC1)Cc1ccccc1,1
kazius_146177-61-9,Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,1
kazius_58-08-2,Cn1cnc2c1c(=O)n(C)c(=O)n2C,0
kazius_2243-78-9,Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,1
kazius_6287-38-3,O=Cc1ccc(c(c1)Cl)Cl,0
kazius_81486-22-8,O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,0
kazius_16568-02-8,C/C=N/N(C=O)C,0
kazius_1204-72-4,[O-][N+](=O)c1cc2ccccc2cc1C,0
kazius_142438-58-2,COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,1
kazius_5307-14-2,Nc1ccc(c(c1)[N+](=O)[O-])N,1
kazius_118-82-1,CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,0
kazius_92-54-6,N1CCN(CC1)c1ccccc1,0
kazius_1513-65-1,Fc1cccc(n1)F,0
kazius_1874-22-2,O=C/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_2876-23-5,Nc1ccc2c(c1)nc1c(n2)cccc1,1
kazius_606-20-2,Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_79748-81-5,OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,1
kazius_602-64-2,O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,1
kazius_97461-42-2,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,1
kazius_96-29-7,C/C(=N\O)/CC,1
kazius_7320-37-8,CCCCCCCCCCCCCC[C@@H]1OC1,0
kazius_37574-47-3,c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,1
kazius_87185-24-8,[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],1
kazius_3571-31-1,COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,1
kazius_75476-80-1,[O-][N+](=O)c1ccc2c(c1)CC=C2,1
kazius_3697-24-3,Cc1cc2ccccc2c2c1c1ccccc1cc2,1
kazius_75-62-7,ClC(Br)(Cl)Cl,1
kazius_101043-65-6,O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
kazius_105427-02-9,O=C([C@@H]1OC1)NCc1ccccc1,1
kazius_90-94-8,CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,1
kazius_120-82-1,Clc1ccc(c(c1)Cl)Cl,0
kazius_110-85-0,N1CCNCC1,0
kazius_15503-86-3,C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-].O.O,0
kazius_99152-10-0,O=NN(C(=O)[C@H](C(C)C)NC(=O)C)CC(=O)O,1
kazius_95-49-8,Cc1ccccc1Cl,0
kazius_16354-52-2,CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,0
kazius_867-27-6,CCSCCOP(=S)(OC)OC,0
kazius_194-03-6,c1cc2ccc3c4c2c(c1)cnc4ccc3,1
kazius_1888-89-7,C([C@@H]1OC1)C[C@@H]1OC1,1
kazius_107-20-0,ClCC=O,1
kazius_54-88-6,Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,1
kazius_1576-35-8,NNS(=O)(=O)c1ccc(cc1)C,1
kazius_609-15-4,CCOC(=O)[C@@H](C(=O)C)Cl,0
kazius_57817-89-7,OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,1
kazius_98033-22-8,Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,1
kazius_111901-45-2,O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,0
kazius_97389-17-8,Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,1
kazius_484-08-2,COc1cc2c(cc1OC)nc1c(c2OC)cco1,1
kazius_57-64-7,OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0
kazius_106-40-1,Nc1ccc(cc1)Br,0
kazius_80984-66-3,N1[C@@H]2[C@H]1c1cccc3c1-c1c2cccc1[C@H]1[C@@H]3N1,1
kazius_27108-42-5,CNC(=O)ON.Cl,1
kazius_123-77-3,NC(=O)/N=N/C(=O)N,1
kazius_294-93-9,O1CCOCCOCCOCC1,0
kazius_207-08-9,c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,1
kazius_36167-69-8,ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,1
kazius_92339-11-2,OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,0
kazius_122587-22-8,COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],1
kazius_105-60-2,O=C1CCCCCN1,0
kazius_879-39-0,Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0
kazius_21846-26-4,Cc1ccc2-c3c([C@H](c2c1)C)cccc3,1
kazius_39638-73-8,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,0
kazius_122-97-4,OCCCc1ccccc1,0
kazius_41840-28-2,O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,0
kazius_32740-01-5,Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,1
kazius_140-10-3,OC(=O)/C=C/c1ccccc1,0
kazius_32306-29-9,CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,0
kazius_116355-83-0,CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0
kazius_95-85-2,Clc1ccc(c(c1)N)O,1
kazius_114460-41-2,CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,1
kazius_1330-20-7,Cc1ccccc1C.Cc1cccc(c1)C.Cc1ccc(cc1)C,0
kazius_2523-37-7,CC1c2ccccc2-c2c1cccc2,1
kazius_146795-33-7,CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_616-72-8,Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_119-32-4,Nc1ccc(c(c1)[N+](=O)[O-])C,1
kazius_91642-47-6,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,1
kazius_921-14-2,CC(N(C(C)C)N)C,1
kazius_64-19-7,CC(=O)O,0
kazius_105052-39-9,COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],1
kazius_140-29-4,N#CCc1ccccc1,0
kazius_111574-85-7,O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,1
kazius_92-24-0,c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,1
kazius_118-52-5,ClN1C(=O)N(C(C1=O)(C)C)Cl,0
kazius_1565-94-2,O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,0
kazius_78-93-3,CCC(=O)C,0
kazius_608-71-9,Brc1c(O)c(Br)c(c(c1Br)Br)Br,0
kazius_91-44-1,CCN(c1ccc2c(c1)oc(=O)cc2C)CC,0
kazius_56-18-8,NCCCNCCCN,0
kazius_121-32-4,CCOc1cc(C=O)ccc1O,0
kazius_60-80-0,O=c1cc(n(n1c1ccccc1)C)C,0
kazius_6923-22-4,CNC(=O)/C=C(/OP(=O)(OC)OC)\C,1
kazius_154028-32-7,COc1cccc(c1)/C=C/c1ccc(cc1)N,1
kazius_618-87-1,Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_4460-86-0,COc1cc(C=O)c(cc1OC)OC,0
kazius_94-20-2,CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,0
kazius_50648-96-9,O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,0
kazius_147151-67-5,ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,1
kazius_68-11-1,OC(=O)CS,0
kazius_42308-20-3,C[C@H](C(=O)Nc1ccccc1)Br,1
kazius_157730-37-5,Cn1c(N)nc2c1cc1ncccc1n2,0
kazius_85-48-3,OS(=O)(=O)c1cccc2c1nccc2,0
kazius_631-64-1,BrC(C(=O)O)Br,1
kazius_25799-70-6,COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1
kazius_50285-71-7,CCN(C(=O)N(C)C)N=O,1
kazius_5275-46-7,O=NC([N+](=O)[O-])(C)C,1
kazius_28564-83-2,O[C@@H]1COC(=C(C1=O)O)C,1
kazius_4081-23-6,O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,1
kazius_142438-64-0,COC(=O)C1=C(CC)[C@@H](OC1=O)C,1
kazius_36274-29-0,Cc1ncc2c(n1)CCC2,0
kazius_63-75-2,COC(=O)C1=CCCN(C1)C,1
kazius_17096-47-8,[O-][N+](=O)OCCN([N+](=O)[O-])C,1
kazius_94500-44-4,ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,1
kazius_84-68-4,Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,1
kazius_108612-45-9,Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C,0
kazius_67604-48-2,Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,0
kazius_73870-33-4,O=NN1CSCC1,1
kazius_147293-13-8,Nc1nc2c(n1C)ccc1c2nccc1,1
kazius_579-07-7,O=C(c1ccccc1)C(=O)C,0
kazius_146-39-4,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](c1ccnc2c1cc(OC)cc2)O,0
kazius_5589-96-8,OC(=O)[C@H](Br)Cl,1
kazius_119584-53-1,O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,0
kazius_77-47-4,ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,0
kazius_70-11-1,BrCC(=O)c1ccccc1,0
kazius_7467-29-0,Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,1
kazius_6344-66-7,Nc1ccc2c(-c3ccccc3C2)c1,1
kazius_7230-71-9,Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,1
kazius_55557-02-3,COC(=O)C1=CCCN(C1)N=O,1
kazius_554-84-7,Oc1cccc(c1)[N+](=O)[O-],1
kazius_301-12-2,CC[S@@](=O)CCSP(=O)(OC)OC,1
kazius_111-71-7,CCCCCCC=O,0
kazius_93673-34-8,c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,1
kazius_393-52-2,ClC(=O)c1ccccc1F,1
kazius_132-64-9,c1ccc2c(c1)oc1c2cccc1,0
kazius_36355-01-8,Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,0
kazius_130005-62-8,Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,1
kazius_3697-30-1,CCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
kazius_14918-69-5,O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,1
kazius_620-02-0,Cc1ccc(o1)C=O,0
kazius_286-62-4,C1CCC[C@H]2[C@@H](CC1)O2,0
kazius_110-91-8,C1CNCCO1,0
kazius_53499-68-6,CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,1
kazius_491-35-0,Cc1ccnc2c1cccc2,1
kazius_121-87-9,[O-][N+](=O)c1ccc(c(c1)Cl)N,1
kazius_89-40-7,O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],1
kazius_59-49-4,O=c1oc2c([nH]1)cccc2,0
kazius_85-84-7,Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,0
kazius_75-87-6,O=CC(Cl)(Cl)Cl,1
kazius_94-75-7,OC(=O)COc1ccc(cc1Cl)Cl,0
kazius_103-70-8,O=CNc1ccccc1,0
kazius_640-15-3,CCSCCSP(=S)(OC)OC,0
kazius_30560-19-1,CO[P@](=O)(NC(=O)C)SC,0
kazius_78-63-7,CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,0
kazius_24279-91-2,CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,1
kazius_89-59-8,Clc1ccc(c(c1)[N+](=O)[O-])C,0
kazius_25917-89-9,Nc1cc([N+](=O)[O-])c(cc1C)N,1
kazius_77-83-8,CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,0
kazius_106-65-0,COC(=O)CCC(=O)OC,0
kazius_7597-18-4,[O-][N+](=O)c1ccc2c(c1)[nH]nc2,1
kazius_90-34-6,NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,1
kazius_156-43-4,CCOc1ccc(cc1)N,1
kazius_104010-37-9,CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],0
kazius_78448-07-4,Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
kazius_2435-76-9,[N-]=[N+]=C1C=NC(=O)NC1=O,1
kazius_2385-85-5,Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,0
kazius_2425-79-8,C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,1
kazius_156243-44-6,CNc1ccc2c(c1C)nc(cn2)C,1
kazius_481-74-3,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,1
kazius_55792-21-7,CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,0
kazius_490-91-5,CC(C1=CC(=O)C(=CC1=O)C)C,0
kazius_16452-01-0,COc1cc(N)ccc1C,1
kazius_271-89-6,c1ccc2c(c1)occ2,0
kazius_3102-70-3,Cc1cc(C)c(c(c1N)C)N,1
kazius_4637-56-3,ONc1cc[n+](c2c1cccc2)[O-],1
kazius_98-86-2,CC(=O)c1ccccc1,0
kazius_3343-64-4,CCCCSCC[C@@H](C(=O)O)N,0
kazius_619-73-8,OCc1ccc(cc1)[N+](=O)[O-],0
kazius_52-68-6,COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,1
kazius_111-41-1,NCCNCCO,1
kazius_58632-95-4,N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,0
kazius_24903-46-6,c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,1
kazius_2210-28-8,CCCOC(=O)C(=C)C,0
kazius_7151-65-7,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,1
kazius_789-07-1,[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,1
kazius_161696-99-7,CNc1ccc2c(c1C)ncc(n2)C,1
kazius_1147-55-3,CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,1
kazius_2466-76-4,CC(=O)n1cncc1,0
kazius_138835-35-5,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,1
kazius_59-00-7,OC(=O)c1cc(O)c2c(n1)c(O)ccc2,0
kazius_557-30-2,O/N=C/C=N/O,0
kazius_110-61-2,N#CCCC#N,0
kazius_100-64-1,ON=C1CCCCC1,1
kazius_75888-03-8,[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,1
kazius_2429-71-2,COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,0
kazius_127072-58-6,CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,1
kazius_121-57-3,Nc1ccc(cc1)S(=O)(=O)O,0
kazius_16400-63-8,ClCC(=C)Br,1
kazius_42471-28-3,ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,1
kazius_372-48-5,Fc1ccccn1,1
kazius_3671-71-4,ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,1
kazius_98-01-1,O=Cc1ccco1,1
kazius_5836-29-3,O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,0
kazius_98046-75-4,[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,1
kazius_63041-77-0,Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,1
kazius_85977-49-7,ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,1
kazius_11012-59-2,OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,0
kazius_19387-91-8,CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],1
kazius_142438-70-8,O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,1
kazius_26093-31-2,Nc1ccc2c(c1)oc(=O)cc2C,0
kazius_2784-86-3,CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,0
kazius_2221-41-2,COc1c2cc(OC)ccc2nc2c1cco2,1
kazius_612-82-8,Nc1ccc(cc1C)c1ccc(c(c1)C)N,1
kazius_102-60-3,C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,0
kazius_63980-20-1,CCN/N=N/CC,1
kazius_51-03-6,CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0
kazius_117-12-4,Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,1
kazius_19315-64-1,CCOc1ccc(cc1)N(C(=O)C)O,1
kazius_6471-49-4,COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_625-48-9,[O-][N+](=O)CCO,1
kazius_128-08-5,BrN1C(=O)CCC1=O,1
kazius_6309-46-2,OCc1ccc(cc1)OC(=O)C,0
kazius_67-56-1,CO,0
kazius_149573-80-8,ONC(=O)Cc1cn(cn1)N=O,1
kazius_73018-98-1,[N-]=[N+]=NC[C@@H](CO)O,1
kazius_874-60-2,ClC(=O)c1ccc(cc1)C,1
kazius_101-80-4,Nc1ccc(cc1)Oc1ccc(cc1)N,1
kazius_6967-29-9,ClCC(=O)Nc1c(CC)cccc1CC,1
kazius_90-04-0,COc1ccccc1N,1
kazius_288-47-1,c1nccs1,1
kazius_594-71-8,CC([N+](=O)[O-])(Cl)C,1
kazius_55-80-1,Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,1
kazius_34237-98-4,Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,1
kazius_111-96-6,COCCOCCOC,0
kazius_600-14-6,CCC(=O)C(=O)C,0
kazius_64099-27-0,COc1nsc2c1cccc2N,1
kazius_31272-21-6,Fc1ccccc1C(=O)c1c(C)nn(c1N)C,1
kazius_68395-77-7,ONc1cc(C)cc(c1)C,1
kazius_1562-94-3,COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],1
kazius_605-71-0,[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],1
kazius_14618-80-5,O(Cc1ccccc1)C[C@H]1OC1,1
kazius_14160-38-4,O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,1
kazius_4399-80-8,ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,0
kazius_139953-98-3,CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,1
kazius_94-81-5,OC(=O)CCCOc1ccc(cc1C)Cl,0
kazius_70786-65-1,CC(=O)N(c1ccccc1C)O,1
kazius_146795-28-0,COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_108-31-6,O=C1C=CC(=O)O1,0
kazius_113826-06-5,Cc1ccc(cc1)S(=O)(=O)OC[C@@H]1OC1,1
kazius_104-75-6,CCCC[C@H](CN)CC,0
kazius_119-27-7,COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_68302-57-8,CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,0
kazius_23031-38-1,C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,1
kazius_77439-76-0,ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,1
kazius_98-56-6,FC(c1ccc(cc1)Cl)(F)F,0
kazius_144-82-1,Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,0
kazius_38914-96-4,ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,1
kazius_2080-32-2,CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,0
kazius_533-31-3,Oc1ccc2c(c1)OCO2,0
kazius_203-64-5,c1cc2Cc3c4c2c(c1)ccc4ccc3,1
kazius_765-34-4,C1O[C@H]1C=O,1
kazius_10143-23-4,CC[C@H]([C@@H](CO)C)C,0
kazius_101-14-4,Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,1
kazius_1918-13-4,NC(=S)c1c(Cl)cccc1Cl,1
kazius_3237-50-1,O=C1NC(=O)NC(=O)C1(O)O,0
kazius_584-08-7,OC(=O)O.[K+].[K+],0
kazius_3101-60-8,CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,1
kazius_75965-74-1,COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],1
kazius_78-88-6,ClCC(=C)Cl,1
kazius_5598-53-8,OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],0
kazius_4655-34-9,CC(OC(=O)C(=C)C)C,0
kazius_58957-92-9,O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,1
kazius_10353-53-4,C=CCC[C@H]1CO1,1
kazius_78533-30-9,BrCc1c2ccccc2cc2c1c1ccccc1cc2,1
kazius_132929-89-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,1
kazius_25074-67-3,Clc1ccc2c(c1)oc1c2cccc1,1
kazius_4238-71-5,c1ccc(cc1)Cn1cncc1,1
kazius_7786-61-0,COc1cc(C=C)ccc1O,0
kazius_100924-64-9,OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,1
kazius_2425-85-6,Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,1
kazius_1120-21-4,CCCCCCCCCCC,0
kazius_50-78-2,CC(=O)Oc1ccccc1C(=O)O,0
kazius_86439-49-8,[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,1
kazius_17528-53-9,ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,1
kazius_88492-34-6,[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,1
kazius_146177-62-0,Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,1
kazius_3340-94-1,Cc1c2ccc3c(c2nc2c1cccc2)cccc3,1
kazius_7756-96-9,CCCCOC(=O)c1ccccc1N,0
kazius_73936-27-3,Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,1
kazius_610-66-2,N#CCc1ccccc1[N+](=O)[O-],1
kazius_66291-31-4,Cc1ccc2c(c1C)c1ccccc1cc2,0
kazius_98-92-0,NC(=O)c1cccnc1,0
kazius_142438-59-3,COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,1
kazius_6931-54-0,CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,0
kazius_108-86-1,Brc1ccccc1,0
kazius_3586-69-4,[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,1
kazius_6325-54-8,ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,1
kazius_96-11-7,BrCC(CBr)Br,1
kazius_1199-18-4,NCCc1cc(O)c(cc1O)O,1
kazius_6530-27-4,ONc1ccc(cc1)/N=N/c1ccccc1,1
kazius_129-79-3,O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_92-55-7,CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,1
kazius_544-63-8,CCCCCCCCCCCCCC(=O)O,0
kazius_1728-32-1,COC1=CC=CC=CC1,1
kazius_26148-68-5,Nc1ccc2c(n1)[nH]c1c2cccc1,1
kazius_2945-03-1,BrCC(=O)NCc1ccccc1,1
kazius_1874-23-3,[O-][N+](=O)c1ccc(o1)C(=O)OC,1
kazius_1187-42-4,N#C/C(=C(/C#N)\N)/N,0
kazius_612-62-4,Clc1ccc2c(n1)cccc2,0
kazius_56-49-5,Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,1
kazius_97461-43-3,[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,1
kazius_60-09-3,Nc1ccc(cc1)/N=N/c1ccccc1,1
kazius_6428-94-0,Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],0
kazius_161697-00-3,CNc1ccc2c(c1C)nc(c(n2)C)C,1
kazius_2304-83-8,O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,0
kazius_4659-45-4,ClC(=O)c1c(Cl)cccc1Cl,1
kazius_105427-03-0,O=C([C@@H]1OC1)Nc1ccccc1,1
kazius_134308-13-7,Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,0
kazius_97747-88-1,OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,0
kazius_85-60-9,CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,0
kazius_108-01-0,OCCN(C)C,0
kazius_22994-85-0,O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,1
kazius_71382-54-2,c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,1
kazius_120-83-2,Clc1ccc(c(c1)Cl)O,0
kazius_86-59-9,OC(=O)c1cccc2c1nccc2,0
kazius_110-86-1,c1cccnc1,0
kazius_23102-68-3,O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,1
kazius_873-69-8,O/N=C/c1ccccn1,0
kazius_58071-32-2,OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,1
kazius_2122-77-2,OCCOc1cc(Cl)c(cc1Cl)Cl,0
kazius_74-83-9,CBr,1
kazius_107-21-1,OCCO,0
kazius_151109-62-5,O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,1
kazius_98033-23-9,CNc1ccc2c(c1)c1cc(O)ccc1cc2,1
kazius_96910-70-2,OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,1
kazius_125973-99-1,ClCC1=CC(=O)OC1,1
kazius_3689-24-5,CCOP(=S)(OP(=S)(OCC)OCC)OCC,1
kazius_80984-67-4,c1ccc2c(-c3cc4[C@@H]5N[C@@H]5c5c(-c4cc3[C@@H]3[C@H]2N3)cccc5)c1,1
kazius_885-62-1,[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],0
kazius_2422-79-9,Cc1c2ccccc2cc2c1c1ccccc1cc2,1
kazius_117333-21-8,O=Nn1cc(c2c1cccc2)C[C@@H](C(=O)O)O,1
kazius_51-28-5,[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,0
kazius_443-48-1,OCCn1c(C)ncc1[N+](=O)[O-],1
kazius_13366-73-9,Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,1
kazius_585-79-5,Brc1cccc(c1)[N+](=O)[O-],1
kazius_31551-45-8,O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],1
kazius_15444-20-9,COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,1
kazius_3817-11-6,CCCCN(CCCCO)N=O,1
kazius_2431-96-1,CCN(C(=O)Cc1ccccc1)CC,0
kazius_77-78-1,COS(=O)(=O)OC,1
kazius_86334-95-4,O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,0
kazius_4685-14-7,C[n+]1ccc(cc1)c1cc[n+](cc1)C,0
kazius_7241-98-7,COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,0
kazius_26761-40-0,CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,0
kazius_99400-75-6,O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,1
kazius_17177-50-3,O[C@@H]([C@H]1CO1)CO,1
kazius_140-11-4,CC(=O)OCc1ccccc1,0
kazius_34244-14-9,Clc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_1953-54-4,Oc1ccc2c(c1)cc[nH]2,0
kazius_111990-50-2,c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,1
kazius_71712-70-4,Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,1
kazius_116355-84-1,CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,0
kazius_52645-53-1,ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,1
kazius_557-91-5,CC(Br)Br,0
kazius_94739-29-4,COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,0
kazius_146795-34-8,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,1
kazius_63019-40-9,Oc1cccc2c1c1ccc3c(c1cc2)cccc3,1
kazius_93-05-0,CCN(c1ccc(cc1)N)CC,1
kazius_115-77-5,OCC(CO)(CO)CO,0
kazius_156243-39-9,Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,1
kazius_15121-84-3,OCCc1ccccc1[N+](=O)[O-],1
kazius_892-17-1,O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,1
kazius_591-35-5,Oc1cc(Cl)cc(c1)Cl,0
kazius_7745-89-3,Nc1ccc(c(c1)Cl)C.Cl,0
kazius_3179-47-3,CCCCCCCCCCOC(=O)C(=C)C,0
kazius_5002-47-1,CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
kazius_32861-85-1,COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],0
kazius_101-20-2,O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,0
kazius_65945-06-4,Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,1
kazius_613-12-7,Cc1ccc2c(c1)cc1c(c2)cccc1,1
kazius_15972-60-8,COCN(c1c(CC)cccc1CC)C(=O)CCl,1
kazius_194-59-2,c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,1
kazius_78-94-4,CC(=O)C=C,1
kazius_1820-59-3,[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_100-40-3,C=C[C@H]1CCC=CC1,0
kazius_153-98-0,NCCc1c[nH]c2c1cc(O)cc2,0
kazius_548-08-3,CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,1
kazius_2381-39-7,Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,1
kazius_121-33-5,COc1cc(C=O)ccc1O,0
kazius_26446-35-5,CC(=O)OC[C@@H](CO)O,1
kazius_22248-79-9,Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,0
kazius_101-39-3,O=C/C(=C/c1ccccc1)/C,0
kazius_483-65-8,CC(c1ccc2c(c1)ccc1c2cccc1C)C,0
kazius_6099-90-7,Oc1cc(O)cc(c1)O.O.O,0
kazius_2846-29-9,OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,1
kazius_843-55-0,Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,0
kazius_90-65-3,CO/C(=C\C(=O)O)/C(=O)C(=C)C,0
kazius_513-88-2,ClC(C(=O)C)Cl,1
kazius_92072-10-1,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],1
kazius_64314-52-9,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,1
kazius_4074-88-8,C=CC(=O)OCCOCCOC(=O)C=C,0
kazius_13048-33-4,C=CC(=O)OCCCCCCOC(=O)C=C,0
kazius_191-24-2,c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,1
kazius_141-46-8,OCC=O,0
kazius_6623-66-1,O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],1
kazius_68-12-2,O=CN(C)C,0
kazius_101489-25-2,COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,0
kazius_6312-87-4,CC(=O)Nc1ccc(cc1)Oc1ccccc1,1
kazius_87625-62-5,OC[C@H]1O[C@@H](O[C@]23C[C@H](C(=O)[C@H]3[C@](C3(C(=C2)C)CC3)(C)O)C)[C@H]([C@H]([C@@H]1O)O)O,1
kazius_7144-65-2,c1ccc(cc1)c1ccccc1OC[C@H]1CO1,1
kazius_77109-49-0,BrCCSC[C@@H](C(=O)OC)NC(=O)C,1
kazius_78400-41-6,Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,1
kazius_926-06-7,CC(OS(=O)(=O)C)C,1
kazius_28553-12-0,CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,0
kazius_17455-13-9,O1CCOCCOCCOCCOCCOCC1,0
kazius_99-97-8,Cc1ccc(cc1)N(C)C,1
kazius_5579-05-5,CNC(=O)Oc1ccc(cc1)c1ccccc1,1
kazius_60032-80-6,C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,1
kazius_4176-53-8,Nc1cccc2c1ccc1c2cccc1,1
kazius_61477-94-9,C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,0
kazius_84-69-5,CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,0
kazius_5412-25-9,BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,1
kazius_620-88-2,[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,1
kazius_133591-38-5,[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,1
kazius_39179-91-4,ClCCNc1ccc(cc1)C,1
kazius_6610-08-8,O=Nc1ccc2c(c1)cccc2,1
kazius_112-52-7,CCCCCCCCCCCCCl,0
kazius_147293-14-9,Nc1nc2c(n1C)ccc1c2cncc1,1
kazius_56-55-3,c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,1
kazius_13114-72-2,CNC(=O)N(c1ccccc1)c1ccccc1,0
kazius_50-18-0,ClCCN([P@]1(=O)NCCCO1)CCCl,1
kazius_142-62-1,CCCCCC(=O)O,0
kazius_20562-02-1,OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,0
kazius_301-13-3,CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,0
kazius_28149-15-7,[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,1
kazius_76919-33-0,n1sc2c(c1)cc(cc2)OC[C@H]1CO1,1
kazius_59-31-4,Oc1ccc2c(n1)cccc2,0
kazius_106671-90-3,O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],1
kazius_129-00-0,c1cc2ccc3c4c2c(c1)ccc4ccc3,1
kazius_6000-43-7,NCC(=O)O.Cl,0
kazius_6098-44-8,CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,1
kazius_121-88-0,[O-][N+](=O)c1ccc(c(c1)O)N,1
kazius_15950-66-0,Oc1ccc(c(c1Cl)Cl)Cl,0
kazius_873-75-6,OCc1ccc(cc1)Br,0
kazius_109-06-8,Cc1ccccn1,0
kazius_13379-35-6,COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,1
kazius_481-39-0,O=C1C=CC(=O)c2c1c(O)ccc2,1
kazius_1447-88-7,COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,0
kazius_2589-39-1,Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,1
kazius_79-44-7,CN(C(=O)Cl)C,1
kazius_3544-23-8,COc1cc(/N=N/c2ccccc2)ccc1N,1
kazius_6452-73-9,C=CCOc1ccccc1OC[C@@H](CNC(C)C)O,0
kazius_500-66-3,CCCCCc1cc(O)cc(c1)O,0
kazius_36840-85-4,C=CC(=O)OCCCCCOC(=O)C=C,0
kazius_67910-07-0,O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,1
kazius_17526-33-9,CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,1
kazius_57-71-6,C/C(=N\O)/C(=O)C,0
kazius_97-52-9,COc1cc(ccc1N)[N+](=O)[O-],1
kazius_67464-46-4,c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,1
kazius_41340-19-6,CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,0
kazius_60-51-5,CNC(=O)CSP(=S)(OC)OC,1
kazius_65847-03-2,COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,0
kazius_611-22-3,ONc1ccccc1C,1
kazius_357-57-3,COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,0
kazius_120-23-0,OC(=O)COc1ccc2c(c1)cccc2,0
kazius_78448-08-5,Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,1
kazius_13284-42-9,CC/C=C\C#N,0
kazius_110-26-9,C=CC(=O)NCNC(=O)C=C,1
kazius_100-29-8,CCOc1ccc(cc1)[N+](=O)[O-],1
kazius_5306-96-7,Cc1c(N)ccc(c1C)N,0
kazius_24085-08-3,OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,1
kazius_6638-64-8,[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,1
kazius_146795-40-6,O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,1
kazius_134514-27-5,Nc1cc([N+](=O)[O-])c(cc1F)N,1
kazius_6151-25-3,Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,1
kazius_35282-72-5,ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,1
kazius_111712-50-6,C[C@H]([C@@H](CCl)Br)Br,1
kazius_97284-34-9,Oc1ncc2c3c1ccc1c3c(cc2)ccc1,0
kazius_140695-21-2,CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,0
kazius_671-16-9,CNNCc1ccc(cc1)C(=O)NC(C)C,0
kazius_146177-57-3,Cc1cc2n(C)c(nc2c2c1nccn2)N,1
kazius_7258-52-8,c1ccc2c(c1)ccc1c2c2CCCc2cc1,1
kazius_87633-43-0,COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,1
kazius_29128-23-2,[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],1
kazius_260-94-6,c1ccc2c(c1)nc1c(c2)cccc1,1
kazius_74011-58-8,CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,1
kazius_58337-49-8,CC(=O)N[C@H](C(=O)O)CSCCCl,1
kazius_98-87-3,ClC(c1ccccc1)Cl,1
kazius_1204-68-8,ClCCN(c1ccc(cc1)C)CCCl,0
kazius_7297-53-2,Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],1
kazius_106323-85-7,[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],1
kazius_1085-98-9,CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,0
kazius_924-16-3,CCCCN(N=O)CCCC,1
kazius_14308-65-7,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,1
kazius_111-42-2,OCCNCCO,0
kazius_51264-14-3,COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,1
kazius_111380-08-6,O=Nc1n(C)cnc1c1ccccc1,1
kazius_2815-45-4,CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,0
kazius_138835-36-6,[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,1
kazius_76-38-0,COC(C(Cl)Cl)(F)F,0
kazius_39653-72-0,N#CC1=Cc2c3c1cccc3ccc2,1
kazius_773-76-2,Clc1cc(Cl)c2c(c1O)nccc2,0
kazius_110-62-3,CCCCC=O,0
kazius_23043-62-1,Nc1ccc2c(c1)c(N)c1c(n2)cccc1,1
kazius_100-65-2,ONc1ccccc1,1
kazius_612-57-7,Clc1ccc2c(c1)cccn2,1
kazius_191-30-0,c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,1
kazius_14901-07-6,CC(=O)/C=C/C1=C(C)CCCC1(C)C,0
kazius_97461-38-6,CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,1
kazius_1300-72-7,Cc1ccc(cc1C)S(=O)(=O)O.[Na+],0
kazius_59652-29-8,CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,0
kazius_7149-26-0,C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,0
kazius_1767-28-8,Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
kazius_91085-62-0,Cl/C=C(\SCc1ccccc1)/Cl,1
kazius_67028-20-0,Cc1cccc2c1nc1c(c2)ccc2c1cccc2,0
kazius_134-31-6,OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,1
kazius_49852-84-8,ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,0
kazius_486-66-8,Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,0
kazius_120-78-5,c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,1
kazius_71382-49-5,c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,1
kazius_57-41-0,O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,0
kazius_84-75-3,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0
kazius_33757-42-5,CC(=O)Nc1cccc2c1nccc2,1
kazius_109-97-7,c1ccc[nH]1,0
kazius_19900-72-2,CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,0
kazius_107-16-4,OCC#N,0
kazius_123-54-6,CC(=O)CC(=O)C,0
kazius_10184-51-7,[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,1
kazius_53175-28-3,C/C=C(\C=O)/Cl,1
kazius_87-51-4,OC(=O)Cc1c[nH]c2c1cccc2,0
kazius_2016-88-8,NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,1
kazius_2735-04-8,COc1ccc(c(c1)OC)N,1
kazius_21416-67-1,O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,0
kazius_6223-35-4,CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],0
kazius_81-14-1,[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,0
kazius_51775-36-1,ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,0
kazius_634-66-2,Clc1c(Cl)ccc(c1Cl)Cl,0
kazius_5742-17-6,OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,0
kazius_90-05-1,COc1ccccc1O,0
kazius_77500-04-0,Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,1
kazius_549-49-5,C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,0
kazius_522-19-0,COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,1
kazius_36239-01-7,CC(=O)OCN([N+](=O)[O-])C,1
kazius_594-72-9,CC([N+](=O)[O-])(Cl)Cl,1
kazius_137-26-8,CN(C(=S)SSC(=S)N(C)C)C,1
kazius_939-99-1,ClCc1ccc(cc1)C(F)(F)F,0
kazius_1732-23-6,Nc1cc2ccc3c4c2c(c1)ccc4ccc3,1
kazius_1135-14-4,Nc1ccc(cc1)Sc1ccccc1,1
kazius_501-52-0,OC(=O)CCc1ccccc1,0
kazius_64625-66-7,O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,1
kazius_92569-05-6,ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,1
kazius_115-53-7,COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,0
kazius_131-91-9,O=Nc1c(O)ccc2c1cccc2,0
kazius_64099-28-1,COc1nsc2c1cc(N)cc2,1
kazius_3811-71-0,Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,1
kazius_128714-75-0,[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],1
kazius_6027-98-1,COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,0
kazius_85-91-6,COC(=O)c1ccccc1NC,0
kazius_107210-40-2,OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,1
kazius_94-82-6,OC(=O)CCCOc1ccc(cc1Cl)Cl,0
kazius_146795-29-1,Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_53-19-0,ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,0
kazius_3787-28-8,O=CC(=C(Cl)Cl)Cl,1
kazius_524-15-2,COc1cccc2c1nc1occc1c2OC,1
kazius_65176-75-2,COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,1
kazius_104-76-7,CCCC[C@H](CO)CC,0
kazius_20983-67-9,Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
kazius_13552-44-8,Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,1
kazius_26289-39-4,O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,1
kazius_78-70-6,C=C[C@@](CCC=C(C)C)(O)C,0
kazius_87619-82-7,OC(=O)[C@H](CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,1
kazius_145439-03-8,O=NN(C(=O)c1c(NC)ncn1C)C,1
kazius_1576-67-6,Cc1ccc2c(c1)c1cc(C)ccc1cc2,1
kazius_110004-69-8,[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,1
kazius_5344-87-6,Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,0
kazius_138-42-1,[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,0
kazius_98-57-7,Clc1ccc(cc1)S(=O)(=O)C,0
kazius_38914-97-5,ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,1
kazius_64000-73-3,CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,1
kazius_2381-15-9,Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,1
kazius_41340-25-4,CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,0
kazius_77-90-7,CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,0
kazius_1955-45-9,O=C1OCC1(C)C,1
kazius_53609-64-6,C[C@H](CN(C[C@H](O)C)N=O)O,1
kazius_78-89-7,C[C@H](CO)Cl,1
kazius_34798-80-6,CC(=O)C1(CCNCC1)c1ccccc1,0
kazius_119631-00-4,Cc1ccc(cc1N)/N=N/c1ccc(c(c1)N)C,1
kazius_97-77-8,CCN(C(=S)SSC(=S)N(CC)CC)CC,0
kazius_90-41-5,Nc1ccccc1c1ccccc1,1
kazius_66734-13-2,CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,0
kazius_632-21-3,ClC(C(=O)C(Cl)Cl)Cl,1
kazius_298-81-7,COc1c2oc(=O)ccc2cc2c1occ2,1
kazius_98600-98-7,O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,1
kazius_150-13-0,OC(=O)c1ccc(cc1)N,0
kazius_2243-61-0,Nc1ccc(c2c1cccc2)N,1
kazius_22071-15-4,OC(=O)[C@H](c1cccc(c1)C(=O)c1ccccc1)C,0
kazius_2039-87-4,C=Cc1ccccc1Cl,0
kazius_120388-69-4,O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
kazius_114480-41-0,CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,1
kazius_80-70-6,CN(C(=N)N(C)C)C,0
kazius_80734-02-7,O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,0
kazius_6317-18-6,N#CSCSC#N,0
kazius_50-79-3,Clc1ccc(c(c1)C(=O)O)Cl,0
kazius_581-50-0,c1ccc(nc1)c1cccnc1,1
kazius_82389-36-4,CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,1
kazius_103-11-7,CCCC[C@H](COC(=O)C=C)CC,0
kazius_59230-81-8,BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,1
kazius_124-04-9,OC(=O)CCCCC(=O)O,0
kazius_99-73-0,BrCC(=O)c1ccc(cc1)Br,0
kazius_27032-78-6,O=C1NCNC(=O)N1,1
kazius_5623-11-0,CC(=O)Nc1cccc(c1C(=O)O)N,1
kazius_4436-24-2,O1C[C@@H]1Cc1ccccc1,1
kazius_57-11-4,CCCCCCCCCCCCCCCCCC(=O)O,0
kazius_119-64-2,C1CCc2c(C1)cccc2,0
kazius_4097-53-4,Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],1
kazius_5776-38-5,C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,1
kazius_610-67-3,CCOc1ccccc1[N+](=O)[O-],1
kazius_91540-29-3,CCCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,1
kazius_10540-29-1,CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,0
kazius_18031-40-8,O=CC1=CC[C@H](CC1)C(=C)C,0
kazius_33942-93-7,Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,1
kazius_920-66-1,OC(C(F)(F)F)C(F)(F)F,0
kazius_22349-59-3,Cc1ccc(c2c1ccc1c2cccc1)C,1
kazius_590-86-3,O=CCC(C)C,0
kazius_189-55-9,c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,1
kazius_1488-25-1,C1=C[C@@H]2[C@H](C=C1)O2,1
kazius_1874-24-4,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,1
kazius_41830-80-2,O[Cl](=O)(=O)=O.N=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N,1
kazius_606-22-4,Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_76-44-8,Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,0
kazius_5557-27-7,COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,1
kazius_548-39-0,O=C1C=Cc2c3c1cccc3ccc2,1
kazius_1838-94-4,C[C@@]1(CO1)C=C,0
kazius_3081-14-9,C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,0
kazius_161697-01-4,CCc1nc2c(nc1CC)ccc(c2C)NC,1
kazius_94-52-0,[O-][N+](=O)c1ccc2c(c1)nc[nH]2,1
kazius_79-20-9,COC(=O)C,0
kazius_99-07-0,Oc1cccc(c1)N(C)C,1
kazius_75-64-9,CC(N)(C)C,0
kazius_124-40-3,CNC,0
kazius_622-79-7,[N-]=[N+]=NCc1ccccc1,1
kazius_1845-30-3,CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,0
kazius_150-68-5,CN(C(=O)Nc1ccc(cc1)Cl)C,0
kazius_78-40-0,CCOP(=O)(OCC)OCC,0
kazius_1124-33-0,[O-][n+]1ccc(cc1)[N+](=O)[O-],1
kazius_93-72-1,C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,0
kazius_10567-95-0,Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,1
kazius_80266-02-0,[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,1
kazius_107-22-2,O=CC=O,1
kazius_6757-06-8,O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,0
kazius_122349-91-1,Cc1cc(C)c2c(n1)cc(c(c2)C)N,1
kazius_67-63-0,CC(O)C,0
kazius_28342-33-8,COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,1
kazius_96910-71-3,O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,1
kazius_78-59-1,CC1=CC(=O)CC(C1)(C)C,0
kazius_57-66-9,CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,0
kazius_50-30-6,OC(=O)c1c(Cl)cccc1Cl,0
kazius_106-42-3,Cc1ccc(cc1)C,0
kazius_23246-96-0,C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3,1
kazius_122-80-5,CC(=O)Nc1ccc(cc1)N,1
kazius_71-23-8,CCCO,0
kazius_1929-82-4,Clc1cccc(n1)C(Cl)(Cl)Cl,1
kazius_110-02-1,c1cccs1,0
kazius_80-40-0,CCOS(=O)(=O)c1ccc(cc1)C,1
kazius_77-79-2,O=S1(=O)CC=CC1,0
kazius_96-67-3,[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,0
kazius_20589-63-3,[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,1
kazius_642-83-1,CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,0
kazius_6795-27-3,CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
kazius_874-86-2,ClCc1ccc(cc1)C#N,0
kazius_64-02-8,OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],0
kazius_54-05-7,CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,1
kazius_607-57-8,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,1
kazius_72076-98-3,c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,1
kazius_17418-58-5,Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,1
kazius_141511-30-0,[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,1
kazius_130-15-4,O=C1C=CC(=O)c2c1cccc2,1
kazius_54083-22-6,COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,1
kazius_872-05-9,CCCCCCCCC=C,0
kazius_1746-01-6,Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,0
kazius_2784-27-2,O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,0
kazius_84-15-1,c1ccc(cc1)c1ccccc1c1ccccc1,0
kazius_104-82-5,ClCc1ccc(cc1)C,0
kazius_90594-13-1,Nc1cnc2c(c1)nc1n2cccc1,1
kazius_146795-35-9,Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_530-62-1,O=C(n1cncc1)n1cncc1,0
kazius_119-34-6,Nc1ccc(c(c1)[N+](=O)[O-])O,1
kazius_102-01-2,O=C(Nc1ccccc1)CC(=O)C,0
kazius_146-68-9,Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,0
kazius_89-72-5,CC[C@H](c1ccccc1O)C,0
kazius_280-57-9,C1CN2CCN1CC2,0
kazius_111712-45-9,BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,1
kazius_2381-21-7,Cc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_623-10-9,ONc1ccc(cc1)C,1
kazius_613-13-8,Nc1ccc2c(c1)cc1c(c2)cccc1,1
kazius_13104-21-7,Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,0
kazius_25265-71-8,C[C@H](COC[C@H](O)C)O,0
kazius_151258-40-1,O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,1
kazius_122-14-5,COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0
kazius_143-07-7,CCCCCCCCCCCC(=O)O,0
kazius_55-21-0,NC(=O)c1ccccc1,0
kazius_78-95-5,CC(=O)CCl,0
kazius_51-65-0,N[C@@H](C(=O)O)Cc1ccc(cc1)F,0
kazius_959-33-1,COc1ccc(cc1)/C=C/C(=O)c1ccccc1,0
kazius_5784-45-2,Clc1nncc2c1cccc2,0
kazius_1193-54-0,O=C1NC(=O)C(=C1Cl)Cl,1
kazius_100-41-4,CCc1ccccc1,0
kazius_458-37-7,COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,0
kazius_17433-31-7,CC(=O)NNC(=O)c1ccccn1,0
kazius_2208-41-5,COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,0
kazius_4719-04-4,OCCN1CN(CCO)CN(C1)CCO,1
kazius_3322-93-8,BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,0
kazius_151-18-8,NCCC#N,0
kazius_60-82-2,Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,0
kazius_75-34-3,CC(Cl)Cl,0
kazius_578-95-0,O=c1c2ccccc2[nH]c2c1cccc2,0
kazius_117066-35-0,O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,0
kazius_2363-23-7,CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],1
kazius_58658-11-0,Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
kazius_536-33-4,CCc1nccc(c1)C(=S)N,0
kazius_97931-39-0,[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,1
kazius_106-97-8,CCCC,0
kazius_33389-36-5,OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],1
kazius_110-57-6,ClCC=CCCl,1
kazius_1615-02-7,OC(=O)/C=C/c1ccc(cc1)Cl,0
kazius_103393-70-0,ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,1
kazius_7269-60-5,ONc1ncnc2c1ncn2C,1
kazius_1074-12-0,O=CC(=O)c1ccccc1,1
kazius_5047-01-8,[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],1
kazius_109-73-9,CCCCN,0
kazius_79-09-4,CCC(=O)O,0
kazius_25973-55-1,CCC(c1cc(N2Nc3c(N2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,0
kazius_123-30-8,Nc1ccc(cc1)O,0
kazius_6270-13-9,OCCN(c1ccc2c(c1)cccc2)CCO,1
kazius_108-93-0,OC1CCCCC1,0
kazius_50-00-0,C=O,1
kazius_99-98-9,CN(c1ccc(cc1)N)C,1
kazius_92-62-6,Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,1
kazius_147293-15-0,Nc1nc2c(n1C)ccc1c2ccnc1,1
kazius_614-48-2,O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],0
kazius_94500-46-6,ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,1
kazius_620-89-3,Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],1
kazius_756-79-6,COP(=O)(OC)C,0
kazius_555-66-8,CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,1
kazius_64371-62-6,C[C@]1(OC1)c1ccc(cc1)c1ccccc1,1
kazius_112-53-8,CCCCCCCCCCCCO,0
kazius_13306-69-9,COP(=S)(Oc1ccc(c(c1)C)N)OC,1
kazius_117-08-8,O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,0
kazius_2314-61-6,S=c1scc(s1)c1ccccc1,0
kazius_6755-16-4,[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,1
kazius_100333-37-7,O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,1
kazius_4394-00-7,OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,0
kazius_19408-84-5,COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,1
kazius_96-37-7,CC1CCCC1,0
kazius_20562-03-2,OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,0
kazius_122-69-0,O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,1
kazius_76180-96-6,Nc1nc2c(n1C)ccc1c2cccn1,1
kazius_70897-83-5,O[C@@H]1C[C@@]23[C@](C1)(O3)C=CC=C2,0
kazius_106671-91-4,O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,1
kazius_62826-28-2,COc1ccccc1C[C@H]1CO1,1
kazius_1663-39-4,C=CC(=O)OC(C)(C)C,0
kazius_616-44-4,Cc1cscc1,0
kazius_74940-61-7,ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,0
kazius_63041-90-7,[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
kazius_6098-45-9,CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,1
kazius_121-89-1,CC(=O)c1cccc(c1)[N+](=O)[O-],1
kazius_873-76-7,OCc1ccc(cc1)Cl,0
kazius_15743-13-2,ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,0
kazius_396-30-5,Fc1ccc2c(c1)cccn2,1
kazius_86674-49-9,Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
kazius_1806-54-8,CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,0
kazius_3208-16-0,CCc1ccco1,0
kazius_106589-50-8,C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,1
kazius_78281-06-8,O=CN(c1ccc(cc1)c1ccccc1)O,1
kazius_113698-22-9,COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,1
kazius_85-86-9,Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,1
kazius_84498-34-0,Oc1cc2ccccc2c2c1c1ccccc1cc2,0
kazius_98-33-9,Nc1ccc(cc1C)S(=O)(=O)O,0
kazius_134-62-3,CCN(C(=O)c1cccc(c1)C)CC,0
kazius_108043-88-5,O=c1ccc2c([nH]1)ccc1c2nc(n1C)N,1
kazius_534-07-6,ClCC(=O)CCl,1
kazius_10159-53-2,ClCCN([P@](=O)(O)N)CCCl,1
kazius_53716-49-7,OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,0
kazius_602-06-2,Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,0
kazius_585-86-4,OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,0
kazius_13436-58-3,Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],1
kazius_394-70-7,Fc1ccnc2c1cccc2,1
kazius_87-82-1,Brc1c(Br)c(Br)c(c(c1Br)Br)Br,0
kazius_5737-13-3,O=c1c2cccc3c2c2c1cccc2cc3,1
kazius_125974-01-8,ClCC1=C(Cl)C(=O)OC1,1
kazius_85-01-8,c1ccc2c(c1)c1ccccc1cc2,1
kazius_75-04-7,CCN,0
kazius_35203-91-9,NS(=O)(=O)c1cccc2c1nccc2,0
kazius_50892-23-4,OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,0
kazius_611-23-4,O=Nc1ccccc1C,1
kazius_26741-53-7,CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,0
kazius_78448-09-6,Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,1
kazius_431-03-8,CC(=O)C(=O)C,1
kazius_43192-07-0,ONc1ccc(c(c1)C)C,1
kazius_95-93-2,Cc1cc(C)c(cc1C)C,0
kazius_146795-41-7,Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_96918-27-3,[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,1
kazius_109-43-3,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0
kazius_330-54-1,O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,1
kazius_136-77-6,CCCCCCc1ccc(cc1O)O,0
kazius_18028-55-2,Cc1ccc(c2c1c1ccccc1[nH]2)C,1
kazius_38178-41-5,[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,1
kazius_79-81-2,CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,0
kazius_59-87-0,NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],1
kazius_110690-43-2,CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,0
kazius_146177-58-4,Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,1
kazius_57-06-7,C=CCN=C=S,1
kazius_509-14-8,[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],1
kazius_122-20-3,C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,0
kazius_50264-69-2,Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,0
kazius_185-75-1,C1CC[C@@]2(CO1)CO2,1
kazius_51230-49-0,Clc1ccc2c(c1)c1ccccc1o2,1
kazius_13345-21-6,Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,1
kazius_35572-78-2,[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,1
kazius_495-48-7,[O-]/[N+](=N\c1ccccc1)/c1ccccc1,1
kazius_98-88-4,ClC(=O)c1ccccc1,1
kazius_437-50-3,COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,1
kazius_117-80-6,O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,1
kazius_91254-96-5,Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],1
kazius_523-66-0,COc1ccc2c(c1)nc1c(c2OC)cco1,1
kazius_118-79-6,Brc1cc(Br)c(c(c1)Br)O,0
kazius_504-78-9,C1NCCS1,1
kazius_24903-48-8,c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,1
kazius_452-06-2,Nc1ncc2c(n1)nc[nH]2,0
kazius_122-39-4,c1ccc(cc1)Nc1ccccc1,0
kazius_637-07-0,CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,0
kazius_110-63-4,OCCCCO,0
kazius_612-58-8,Cc1cnc2c(c1)cccc2,1
kazius_577-19-5,[O-][N+](=O)c1ccccc1Br,1
kazius_2528-36-1,CCCCOP(=O)(Oc1ccccc1)OCCCC,0
kazius_97461-39-7,O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_4368-56-3,Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,0
kazius_79-15-2,NC(=O)CBr,0
kazius_446-86-6,Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],1
kazius_30269-02-4,Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
kazius_134-32-7,Nc1cccc2c1cccc2,1
kazius_21232-47-3,[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,0
kazius_354-33-6,FC(C(F)(F)F)F,0
kazius_49852-85-9,BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,1
kazius_67450-45-7,OC(=O)/C=C\C(=O)O.CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl,0
kazius_82617-23-0,NC(=O)O[C@H]1CO1,1
kazius_149996-82-7,CCN(N=O)C=O,1
kazius_115044-41-2,O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,1
kazius_4130-42-1,CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,0
kazius_97-23-4,Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,1
kazius_869-01-2,CCCCN(C(=O)N)N=O,1
kazius_23702-49-0,O=c1oc2cccc3c2c2c1cccc2cc3,0
kazius_39965-42-9,O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],1
kazius_15110-74-4,[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],1
kazius_144-48-9,NC(=O)CI,0
kazius_6804-07-5,COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,1
kazius_7327-87-9,OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,1
kazius_64224-21-1,S=c1ssc(c1C)c1cnccn1,0
kazius_92-87-5,Nc1ccc(cc1)c1ccc(cc1)N,1
kazius_1694-09-3,CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],1
kazius_634-67-3,Nc1ccc(c(c1Cl)Cl)Cl,0
kazius_81-15-2,[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,0
kazius_10595-95-6,CN(N=O)CC,1
kazius_69533-68-2,[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],1
kazius_38246-95-6,CCOc1ccc(cc1)NO,1
kazius_57011-48-0,OC(CN=[N+]=[N-])CN=[N+]=[N-],1
kazius_367-25-9,Fc1ccc(c(c1)F)N,1
kazius_88193-04-8,Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,1
kazius_1210-35-1,O=C1c2ccccc2CCc2c1cccc2,0
kazius_95-63-6,Cc1ccc(c(c1)C)C,0
kazius_3077-85-8,[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,1
kazius_501-53-1,ClC(=O)OCc1ccccc1,0
kazius_131-92-0,O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,0
kazius_30517-66-9,Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,0
kazius_89911-79-5,OC[C@H](CN(C[C@H](O)C)N=O)O,1
kazius_16045-92-4,OC(=O)C[C@@H](C(=O)O)Cl,0
kazius_2835-95-2,Nc1ccc(c(c1)O)C,1
kazius_591-12-8,O=C1CC=C(O1)C,0
kazius_128714-76-1,[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],1
kazius_7203-90-9,CN(/N=N/c1ccc(cc1)Cl)C,1
kazius_92758-43-5,Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,1
kazius_112022-10-3,CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,1
kazius_4752-10-7,Clc1nnc(c2c1cccc2)Cl,0
kazius_20930-10-3,CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,1
kazius_70249-46-6,OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,0
kazius_616-69-3,[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,0
kazius_114460-38-7,Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,1
kazius_19996-03-3,ClCc1c2ccccc2c(c2c1cccc2)Cl,1
kazius_495-18-1,ONC(=O)c1ccccc1,1
kazius_1671-82-5,[O-][N+](=O)c1nccn1C,1
kazius_123-91-1,O1CCOCC1,0
kazius_625-86-5,Cc1ccc(o1)C,0
kazius_2381-16-0,Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,1
kazius_99026-65-0,CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,1
kazius_91-22-5,c1ccc2c(c1)nccc2,1
kazius_623-05-2,OCc1ccc(cc1)O,0
kazius_1849-36-1,Sc1ccc(cc1)[N+](=O)[O-],1
kazius_57-97-6,Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,1
kazius_70458-96-7,CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,1
kazius_32784-82-0,CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,1
kazius_6313-44-6,[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,0
kazius_103395-25-1,ClCc1ccc2c3c1-c1ccccc1-c3ccc2,1
kazius_61-57-4,O=C1NCCN1c1ncc(s1)[N+](=O)[O-],1
kazius_119631-01-5,Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,1
kazius_103139-94-2,Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,1
kazius_2243-62-1,Nc1cccc2c1cccc2N,1
kazius_53527-28-9,O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,0
kazius_24280-93-1,COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,0
kazius_4406-41-1,CC(C(=O)Nc1ccccc1)C,0
kazius_1878-66-6,OC(=O)Cc1ccc(cc1)Cl,0
kazius_146177-64-2,Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,1
kazius_119-65-3,c1ccc2c(c1)cncc2,0
kazius_32534-81-9,Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,0
kazius_5776-39-6,C[n+]1c2ccccc2cc2c1cccc2.Cl,1
kazius_476-66-4,Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,0
kazius_102-32-9,OC(=O)Cc1ccc(c(c1)O)O,1
kazius_39860-12-3,Cc1ccc2c(c1)nc(n2C)N,1
kazius_935-95-5,Clc1cc(Cl)c(c(c1Cl)O)Cl,0
kazius_62-73-7,COP(=O)(OC=C(Cl)Cl)OC,1
kazius_108-88-3,Cc1ccccc1,0
kazius_1194-65-6,N#Cc1c(Cl)cccc1Cl,0
kazius_3153-55-7,COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,1
kazius_96-13-9,OC[C@@H](CBr)Br,1
kazius_35212-22-7,CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,0
kazius_117929-12-1,[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],1
kazius_1613-37-2,[O-][n+]1cccc2c1cccc2,0
kazius_86-42-0,CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,0
kazius_95-33-0,C1CCC(CC1)NSc1nc2c(s1)cccc2,0
kazius_82-86-0,O=C1C(=O)c2c3c1cccc3ccc2,1
kazius_1086-00-6,ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,1
kazius_612-64-6,CCN(c1ccccc1)N=O,0
kazius_698-63-5,O=Cc1ccc(o1)[N+](=O)[O-],1
kazius_31876-38-7,OC1=CC(=O)C1=O,0
kazius_62450-06-0,Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,1
kazius_80-05-7,CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,0
kazius_2304-85-0,O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,1
kazius_19337-19-0,CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,0
kazius_79-21-0,CC(=O)OO,0
kazius_968-81-0,O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,0
kazius_161697-02-5,CNc1ccc2c(c1C)nc(cn2)c1ccccc1,1
kazius_75-65-0,CC(O)(C)C,0
kazius_3366-61-8,CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,1
kazius_130536-39-9,c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,1
kazius_52214-84-3,OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,0
kazius_922-63-4,CCC(=C)C=O,1
kazius_99-08-1,Cc1cccc(c1)[N+](=O)[O-],0
kazius_7576-88-7,Nc1ccc2c(c1)nc(c(n2)C)C,1
kazius_6373-74-6,[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],1
kazius_108-03-2,[O-][N+](=O)CCC,0
kazius_110-88-3,O1COCOC1,0
kazius_37853-59-1,Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,0
kazius_39208-00-9,O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,1
kazius_16354-55-5,CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,0
kazius_141-78-6,CCOC(=O)C,0
kazius_2784-94-3,OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,1
kazius_150-69-6,CCOc1ccc(cc1)NC(=O)N,0
kazius_86853-91-0,O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,1
kazius_116374-64-2,COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],1
kazius_122551-89-7,ClC(C1=C(Cl)C(=O)OC1)Cl,1
kazius_97629-28-2,Nc1cc([N+](=O)[O-])c(c(c1C)C)N,1
kazius_129134-96-9,C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,1
kazius_619-15-8,[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],1
kazius_98033-25-1,Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,1
kazius_67-64-1,CC(=O)C,0
kazius_115459-65-9,O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,1
kazius_92-93-3,[O-][N+](=O)c1ccc(cc1)c1ccccc1,1
kazius_2687-25-4,Nc1c(C)cccc1N,1
kazius_106-43-4,Cc1ccc(cc1)Cl,0
kazius_10213-75-9,CCCC[C@H](COCCC#N)CC,0
kazius_75321-20-9,[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,1
kazius_117-39-5,Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,1
kazius_75776-00-0,CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,1
kazius_1072-83-9,CC(=O)c1ccc[nH]1,1
kazius_141511-31-1,[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,1
kazius_19473-49-5,OC(=O)CC[C@@H](C(=O)O)N.[K+],0
kazius_146795-36-0,Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],1
kazius_5410-97-9,[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,1
kazius_104-83-6,ClCc1ccc(cc1)Cl,0
kazius_135-73-9,BrCC(=O)c1ccc(cc1)c1ccccc1,1
kazius_541-59-3,O=C1C=CC(=O)N1,1
kazius_2832-40-8,CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,1
kazius_35282-68-9,OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,1
kazius_6271-79-0,[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,1
kazius_329-65-7,CNC[C@@H](c1ccc(c(c1)O)O)O,0
kazius_118-55-8,O=C(c1ccccc1O)Oc1ccccc1,0
kazius_920-37-6,ClC(=C)C#N,0
kazius_22996-17-4,OCc1ccc(cc1[N+](=O)[O-])N,1
kazius_55691-69-5,[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,1
kazius_484-47-9,c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,1
kazius_1609-47-8,CCOC(=O)OC(=O)OCC,0
kazius_1068-57-1,CC(=O)NN,1
kazius_78-96-6,C[C@H](CN)O,1
kazius_97-84-7,CN(CC[C@@H](N(C)C)C)C,0
kazius_527-17-3,CC1=C(C)C(=O)C(=C(C1=O)C)C,0
kazius_1025-15-6,C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,0
kazius_98601-00-4,O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,1
kazius_6052-68-2,OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,0
kazius_67730-10-3,Nc1ccc2c(n1)n1ccccc1n2,1
kazius_78468-34-5,OCc1ccc(cc1N)[N+](=O)[O-],1
kazius_42286-46-4,O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,1
kazius_2945-96-2,COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],1
kazius_110-58-7,CCCCCN,0
kazius_2479-46-1,Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,1
kazius_191-26-4,c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,1
kazius_103393-71-1,ClCc1cccc2-c3c4c(-c12)cccc4ccc3,1
kazius_78-11-5,[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],0
kazius_551-92-8,[O-][N+](=O)c1cnc(n1C)C,1
kazius_89459-43-8,CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,1
kazius_89213-87-6,CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,0
kazius_74494-65-8,COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,0
kazius_67274-52-6,CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,1
kazius_118-91-2,OC(=O)c1ccccc1Cl,0
kazius_108-94-1,O=C1CCCCC1,0
kazius_61477-96-1,CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,0
kazius_105467-77-4,C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,1
kazius_2150-54-1,Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0
kazius_613-50-3,[O-][N+](=O)c1ccc2c(c1)cccn2,1
kazius_2426-07-5,C(C[C@@H]1OC1)CC[C@@H]1OC1,1
kazius_1330-78-5,Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,0
kazius_83-72-7,O=C1C=C(O)C(=O)c2c1cccc2,1
kazius_64808-48-6,Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],0
kazius_628-02-4,CCCCCC(=O)N,0
kazius_7381-01-3,CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],0
kazius_97-18-7,Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,0
kazius_1163-05-9,[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,0
kazius_115609-71-7,Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,1
kazius_56-57-5,[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],1
kazius_93673-37-1,O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,1
kazius_5131-58-8,Nc1ccc(c(c1)N)[N+](=O)[O-],1
kazius_116-29-0,Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,0
kazius_7040-57-5,C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,0
kazius_101-77-9,Nc1ccc(cc1)Cc1ccc(cc1)N,1
kazius_24096-53-5,O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,0
kazius_1477-55-0,NCc1cccc(c1)CN,0
kazius_40180-04-9,OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,0
kazius_59-33-6,OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,0
kazius_139953-76-7,Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,1
kazius_75411-83-5,CN(N=O)C[C@H](O)C,1
kazius_526-73-8,Cc1c(C)cccc1C,1
kazius_100-97-0,C1N2CN3CN1CN(C2)C3,1
kazius_3074-00-8,O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,0
kazius_109-08-0,Cc1cnccn1,0
kazius_13552-21-1,CC[C@@H](CN)O,0
kazius_125-46-2,CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,0
kazius_141-84-4,O=C1CSC(=S)N1,0
kazius_396-31-6,Fc1cnc2c(c1)cccc2,0
kazius_520-36-5,Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,0
kazius_25212-88-8,CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,1
kazius_113698-23-0,O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,1
kazius_79-46-9,CC([N+](=O)[O-])C,1
kazius_149-91-7,OC(=O)c1cc(O)c(c(c1)O)O,0
kazius_335-76-2,OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,0
kazius_112022-05-6,CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,1
kazius_2177-18-6,C=COC(=O)C=C,0
kazius_31647-36-6,Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,1
kazius_41069-00-5,O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,1
kazius_13674-84-5,ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,0
kazius_465-29-2,O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,0
kazius_24554-26-5,O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],1
kazius_484-17-3,Oc1cc2ccccc2c2c1cccc2,1
kazius_540-49-8,Br/C=C/Br,1
kazius_115767-74-3,CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,0
kazius_57609-64-0,O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,0
kazius_119525-97-2,CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,1
kazius_97-54-1,C/C=C/c1ccc(c(c1)OC)O,0
kazius_2752-54-7,CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,0
kazius_71721-78-3,Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],1
kazius_136587-13-8,NCCCNCCCCN(N(N=O)O)CCCN,1
kazius_51-36-5,OC(=O)c1cc(Cl)cc(c1)Cl,0
kazius_123-86-4,CCCCOC(=O)C,0
kazius_39834-38-3,Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,1
kazius_91-17-8,C1CC[C@@H]2[C@@H](C1)CCCC2,0
kazius_100-12-9,CCc1ccc(cc1)[N+](=O)[O-],0
kazius_87-83-2,Brc1c(C)c(Br)c(c(c1Br)Br)Br,0
kazius_114899-77-3,COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,1
kazius_16311-38-9,[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],1
kazius_56-93-9,C[N+](Cc1ccccc1)(C)C.Cl,0
kazius_7239-21-6,CN(/N=N/c1ccc(cc1)Br)C,1
kazius_5397-37-5,[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,1
kazius_772-43-0,[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,1
kazius_85-02-9,c1ccc2c(c1)ccc1c2cccn1,1
kazius_31438-22-9,[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,1
kazius_578-66-5,Nc1cccc2c1nccc2,1
kazius_75-05-8,CC#N,0
kazius_1064-48-8,[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1
kazius_121-54-0,CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,0
kazius_122-19-0,CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,0
kazius_1239-45-8,CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,1
kazius_124-64-1,OCP(CO)(CO)CO,0
kazius_126-92-1,CCCC[C@H](COS(=O)(=O)O)CC,0
kazius_135-20-6,O=NN(c1ccccc1)O,1
kazius_135-49-9,Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,1
kazius_137-09-7,Nc1ccc(c(c1)N)O,1
kazius_146-56-5,OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,0
kazius_15826-37-6,OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,0
kazius_1684-40-8,Nc1c2CCCCc2nc2c1cccc2,1
kazius_1934-20-9,Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,0
kazius_1936-15-8,Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0
kazius_1937-37-7,Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,1
kazius_2045-52-5,CN(CCN(c1ccccc1)Cc1ccccc1)C,0
kazius_2216-51-5,C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,0
kazius_2390-59-2,CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,1
kazius_2429-73-4,Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
kazius_2429-82-5,Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,1
kazius_2465-27-2,CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,1
kazius_2586-60-9,Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,1
kazius_2610-05-1,COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,1
kazius_2610-11-9,O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,0
kazius_2611-82-7,Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,0
kazius_298-59-9,COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,0
kazius_3087-16-9,CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,0
kazius_314-13-6,Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,1
kazius_32780-64-6,C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,0
kazius_3567-66-6,Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,0
kazius_3717-88-2,O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,0
kazius_3761-53-3,Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,1
kazius_4080-31-3,Cl/C=C/C[N@+]12CN3CN(C2)CN(C1)C3,1
kazius_4213-45-0,ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,1
kazius_4335-09-5,Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)O,1
kazius_477-73-6,Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,1
kazius_5407-04-5,ClCCCN(C)C,1
kazius_569-61-9,N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,1
kazius_573-58-0,Nc1c(/N=N/c2ccc(cc2)c2ccc(cc2)/N=N/c2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,1
kazius_58-33-3,CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,0
kazius_59-02-9,C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,0
kazius_590-46-5,OC(=O)C[N+](C)(C)C,0
kazius_593-56-6,CON,0
kazius_61-73-4,CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,1
kazius_63-92-3,ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,1
kazius_632-99-5,N=C\1/C=C/C(=C(\c2ccc(c(c2)C)N)/c2ccc(cc2)N)/C=C1,1
kazius_633-96-5,Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,0
kazius_65-61-2,CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,1
kazius_67-03-8,OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,0
kazius_69-05-6,CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,1
kazius_6959-47-3,ClCc1ccccn1,1
kazius_6959-48-4,ClCc1cccnc1,1
kazius_72-57-1,Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,1
kazius_81-88-9,CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,1
kazius_86-40-8,Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,1
kazius_92-31-9,CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,1
kazius_108-80-5,O=c1[nH]c(=O)[nH]c(=O)[nH]1,0
kazius_1127-45-3,[O-][n+]1cccc2c1c(O)ccc2,0
kazius_115-02-6,[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,1
kazius_115-28-6,OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0
kazius_119-39-1,O=c1[nH]ncc2c1cccc2,0
kazius_121-66-4,[O-][N+](=O)c1cnc(s1)N,1
kazius_1214-39-7,c1ccc(cc1)CNc1ncnc2c1[nH]cn2,0
kazius_1250-95-9,CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C,1
kazius_130-01-8,C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,0
kazius_13010-08-7,[O-][N+](=O)NC(=N)N(N=O)CCCC,1
kazius_134-58-7,Nc1[nH]c(=O)c2c(n1)[nH]nn2,0
kazius_137-66-6,CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1OC(=O)C(=C1O)O)O,0
kazius_137-89-3,CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,0
kazius_1397-89-3,O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,0
kazius_1445-69-8,O=c1[nH][nH]c(=O)c2c1cccc2,0
kazius_148-82-3,ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,1
kazius_149-30-4,Sc1nc2c(s1)cccc2,0
kazius_149-32-6,OC[C@H]([C@H](CO)O)O,0
kazius_1686-14-2,CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,0
kazius_1747-60-0,COc1ccc2c(c1)sc(n2)N,1
kazius_18172-33-3,C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,0
kazius_18883-66-4,CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,1
kazius_21259-20-1,CC(CC(=O)O[C@H]1C[C@@]2(OC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@@]2(C)[C@H](OC(=O)C)[C@H]1O)OC3)C,0
kazius_21794-01-4,CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,0
kazius_2270-40-8,CC(=O)OC[C@@]12CCC(=C[C@H]1O[C@@H]1[C@@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)CO3)C,0
kazius_23255-69-8,OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,0
kazius_23282-20-4,OC[C@@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@@]3([C@@]2(C)[C@H](O)[C@H]1O)OC3,0
kazius_2349-67-9,Nc1nnc(s1)S,0
kazius_24815-24-5,COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,0
kazius_2550-75-6,ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,0
kazius_29975-16-4,Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,0
kazius_3048-64-4,C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,0
kazius_30516-87-1,OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,1
kazius_309-00-2,ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,0
kazius_315-22-0,O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,0
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kazius_23537-16-8,Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,0
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kazius_25316-40-9,OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,1
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kazius_27046-19-1,ClCCN(P1(=O)OCC(=O)CO1)CCCl,1
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kazius_343-94-2,NCCc1c[nH]c2c1cccc2.Cl,0
kazius_34381-68-5,CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,0
kazius_352-11-4,ClCc1ccc(cc1)F,0
kazius_3546-10-9,ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,0
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kazius_362-74-3,CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,0
kazius_366-70-1,CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,0
kazius_372-47-4,Fc1cccnc1,0
kazius_3778-76-5,CCOC(=O)NNc1nncc2c1cccc2.Cl,1
kazius_379-79-3,O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,0
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kazius_40297-54-9,OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],0
kazius_41372-08-1,OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,0
kazius_43000-65-3,ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,1
kazius_4494-26-2,OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,0
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kazius_480-81-9,C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,1
kazius_4801-39-2,NCC(=O)Nc1ccccc1.Cl,1
kazius_491-36-1,O=c1[nH]cnc2c1cccc2,0
kazius_4914-30-1,CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2N(C1)CCc1c2cc(c(c1)OC)OC,0
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kazius_514-10-3,CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,0
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kazius_528-53-0,Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,0
kazius_531-85-1,Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,1
kazius_5323-95-5,CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],0
kazius_535-83-1,C[n+]1cccc(c1)C(=O)O,0
kazius_53956-04-0,O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,0
kazius_54-21-7,OC(=O)c1ccccc1O.[Na+],0
kazius_5418-93-9,Clc1ccc2c(c1)nc([nH]2)N,0
kazius_54556-98-8,CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,0
kazius_5461-85-8,CC(CN(C(=N)N[N+](=O)[O-])N=O)C,1
kazius_548-42-5,CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,1
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kazius_569-26-6,C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,1
kazius_57-47-6,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,0
kazius_570-74-1,CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,0
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kazius_58-56-0,OCc1c(CO)cnc(c1O)C.Cl,0
kazius_581-64-6,Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,1
kazius_5858-81-1,Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],0
kazius_59-88-1,NNc1ccccc1.Cl,1
kazius_593-51-1,CN.Cl,0
kazius_59708-57-5,O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,0
kazius_598-57-2,[O-][N+](=O)NC,0
kazius_60-57-1,ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,0
kazius_60254-83-3,NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,0
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kazius_604-35-3,CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,0
kazius_61-76-7,CNC[C@@H](c1cccc(c1)O)O.Cl,0
kazius_61-82-5,N=c1nc[nH][nH]1,0
kazius_6109-97-3,CCn1c2ccc(cc2c2c1cccc2)N.Cl,1
kazius_611-53-0,OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,0
kazius_62-33-9,OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],0
kazius_621-44-3,OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,0
kazius_624-18-0,Nc1ccc(cc1)N.Cl.Cl,1
kazius_6285-68-3,Cc1ccc2c(c1)nc([nH]2)N,1
kazius_63-45-6,OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,1
kazius_63-56-9,COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,0
kazius_63166-73-4,CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,0
kazius_633-03-4,OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,1
kazius_64-75-5,CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,0
kazius_64-86-8,COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,0
kazius_6428-31-5,OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],1
kazius_650-51-1,OC(=O)C(Cl)(Cl)Cl.[Na+],0
kazius_6533-68-2,OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,0
kazius_66357-59-3,CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,0
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kazius_668-17-7,COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,1
kazius_67199-66-0,Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,1
kazius_68884-32-2,c1ccc2c(c1)c(ccc2)C[C@H]1CO1,1
kazius_69-74-9,OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,0
kazius_69245-38-1,COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,1
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kazius_71-33-0,Oc1ncnc(n1)O,0
kazius_71376-34-6,OC1=CC(=O)C1=O.[Na+],0
kazius_72-17-3,OC(=O)[C@H](O)C.[Na+],0
kazius_7336-20-1,Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],0
kazius_7570-86-7,O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,1
kazius_79-92-5,C=C1[C@H]2CC[C@@H](C1(C)C)C2,0
kazius_8048-52-0,Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,1
kazius_83-95-4,COc1ccc2c(c1OC)nc1c(c2OC)CCO1,1
kazius_86-54-4,N/N=C/1\N=NC=C2[C@H]1C=CC=C2,1
kazius_868-14-4,O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],0
kazius_89925-00-8,NC(=O)C[C@H]1CO1,1
kazius_89930-60-9,O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,1
kazius_9002-92-0,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,0
kazius_90597-22-1,Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,0
kazius_924-43-6,C[C@@H](ON=O)CC,1
kazius_97534-21-9,O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,0