COc1ccc(-c2noc(CNC(=O)C/C(C)=N/NC(=O)c3ccco3)n2)cc1OC	ZINC000103593745	IE	Agent	Reactive	
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1OC	ZINC000010515376	IE	Agent	Anodyne	 
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2)c1	ZINC000011200532	IE	Agent	Anodyne	 
COc1cccc(/C=C(/C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2)c1	ZINC000011200542	IE	Agent	Anodyne	 
O=C(COC(=O)C1CCN(/C=C/C(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2	ZINC000011345169	IE	Agent	Mild	 
CC(=O)Nc1ccc(NC(=O)COC(=O)C2CCN(/C=C/C(=O)C(F)(F)F)CC2)cc1	ZINC000011346480	IE	Agent	Mild	 
CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CCCCCC1	ZINC000011430159	IE	Agent	Anodyne	 
CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NC1CCCCCC1	ZINC000011430161	IE	Agent	Anodyne	 
CCN(C(=O)COC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000011875000	IE	Agent	Anodyne	 
CCN(C(=O)COC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1	ZINC000011875001	IE	Agent	Anodyne	 
NC(=O)[C@@H]1CN(C(=O)COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1	ZINC000012044464	IE	Agent	Bother	 
NC(=O)[C@H]1CN(C(=O)COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1	ZINC000012044465	IE	Agent	Bother	 
C/C(=N\Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(C#N)cc1	ZINC000012311559	IE	Agent	Mild	 
CCOC(=O)CC[C@@H]1C(=O)[C@](C)(C(=O)OCC)CC[C@H]1C(C(=O)OCC)C(=O)OCC	ZINC000012366765	IE	Agent	Anodyne	 
Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(Br)cc2)n1	ZINC000012515936	IE	Agent	Anodyne	 
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccccc2-n2cncn2)c1OC	ZINC000012520861	IE	Agent	Anodyne	 
CCn1cc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000012523930	IE	Agent	Bother	 
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1OC	ZINC000012526042	IE	Agent	Anodyne	 
COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1OC	ZINC000012526043	IE	Agent	Anodyne	 
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1	ZINC000012548053	IE	Agent	Anodyne	 
O=C(NC[C@@H]1CCCO1)C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1	ZINC000012555398	IE	Agent	Bother	 
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N/N=C/c1c(F)cccc1F	ZINC000012564468	IE	Agent	Mild	 
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N/N=C/c1ccc(F)c(F)c1	ZINC000012582452	IE	Agent	Mild	 
CC(=O)Nc1ccc(/C=C(\C(=O)O)c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1	ZINC000012589326	IE	Agent	Anodyne	 
Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@@]4(CCCCc5ccccc54)C3=O)nnc12	ZINC000012610140	IE	Agent	Anodyne	 
Cn1c(=O)c2ccccc2n2c(CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)nnc12	ZINC000012610141	IE	Agent	Anodyne	 
CC[C@H](C)N(C(=O)COC(=O)/C=C/c1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1	ZINC000012642954	IE	Agent	Anodyne	 
CC[C@H](C)N(C(=O)COC(=O)/C=C/c1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1	ZINC000012642964	IE	Agent	Anodyne	 
O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000012681806	IE	Agent	Anodyne	 
O=C(Cn1cncn1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O	ZINC000012754364	IE	Agent	Anodyne	 
O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000012785732	IE	Agent	Anodyne	 
O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000012785736	IE	Agent	Anodyne	 
C/C=C/c1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(OC)c1	ZINC000012908212	IE	Agent	Anodyne	 
C/C=C/c1ccc(OC[C@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(OC)c1	ZINC000012908216	IE	Agent	Anodyne	 
CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)[C@@]12CCC(=O)N1c1ccccc1S2	ZINC000012909281	IE	Agent	Anodyne	 
CCOC(=O)/C=C1\SCC(=O)N1CCOC(=O)[C@]12CCC(=O)N1c1ccccc1S2	ZINC000012909285	IE	Agent	Anodyne	 
O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000012917201	IE	Agent	Anodyne	 
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1cn(Cc2ccccc2)nn1	ZINC000012917915	IE	Agent	Anodyne	 
Nc1c(N(C[C@@H]2CCCO2)C(=O)/C=C/c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000013016427	IE	Agent	Anodyne	 
Nc1c(N(C[C@H]2CCCO2)C(=O)/C=C/c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000013016431	IE	Agent	Anodyne	 
C[C@@H]1CCCC[C@@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O	ZINC000013062904	IE	Agent	Anodyne	 
C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C/c3ccccc3)CC1)C2=O	ZINC000013062906	IE	Agent	Anodyne	 
CN1C(=O)N(CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C(=O)C12CCCCC2	ZINC000013062908	IE	Agent	Anodyne	 
COc1ccc(/C=C/C(=O)N[C@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1	ZINC000013108154	IE	Agent	Anodyne	 
COc1ccc(/C=C/C(=O)N[C@@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1	ZINC000013108155	IE	Agent	Anodyne	 
O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1	ZINC000013138824	IE	Agent	Mild	 
O=C(COC(=O)c1ccccc1O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1	ZINC000013140020	IE	Agent	Mild	 
O=C(COC(=O)c1ccc(O)cc1)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1	ZINC000013140262	IE	Agent	Mild	 
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccc(F)cc2)c(=O)[nH]c1=O	ZINC000013149991	IE	Agent	Anodyne	 
O=C(Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21)c1ccc2c(c1)OCCO2	ZINC000013964075	IE	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000014118217	IE	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000014227771	IE	Agent	Anodyne	 
CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C/c1c(C)nn(C)c1C	ZINC000014240750	IE	Agent	Anodyne	 
O=c1c(Cl)c(Cl)cnn1CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000014242092	IE	Agent	Anodyne	 
Cn1cccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	ZINC000014359300	IE	Agent	Mild	 
Cc1nc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cs1	ZINC000014371700	IE	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc(C(=O)N(C)C)c1C	ZINC000014659712	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C/c2c(F)cccc2Cl)cc1	ZINC000014844740	IE	Agent	Reactive	 
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@@H]1COc2ccccc2O1	ZINC000014871352	IE	Agent	Anodyne	 
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)[C@H]1COc2ccccc2O1	ZINC000014871354	IE	Agent	Anodyne	 
COC(=O)C[C@H]1C[C@@H](COc2ccc(-c3ccc(/C(N)=N\C(=O)OC)cc3)cc2)NC1=O	ZINC000147458472	IE	Agent	Mild	 
O=C(O)CN1C[C@H](c2cccs2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O	ZINC000001999432	IE	Agent	Anodyne	 
COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1OC	ZINC000015028784	IE	Agent	Anodyne	 
Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000015560074	IE	Agent	Anodyne	 
COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(=O)O)on1)CC2	ZINC000015672810	IE	Agent	Anodyne	 
Cc1ccc(NC(=O)c2ccc3nn(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)n3c2)cc1	ZINC000015829567	IE	Agent	Anodyne	 
CC(=O)C[C@@H]1N(C2CCCC2)C(=O)[C@@H]2N(Cc3ccc(Cl)cc3)C(=O)[C@@H]3CC(=O)O[C@@]132	ZINC000015861135	IE	Agent	Anodyne	 
Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1	ZINC000015868483	IE	Agent	Anodyne	 
Cn1cnc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)c1	ZINC000015868484	IE	Agent	Anodyne	 
CC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)/C=C/c3ccc(C)cc3)CC2)cc1	ZINC000015976040	IE	Agent	Anodyne	 
Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2)c1CN1CCCCCC1	ZINC000015989436	IE	Agent	Anodyne	 
C[C@@H](NC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000016109615	IE	Agent	Bother	 
C[C@H](NC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000016109616	IE	Agent	Bother	 
CCN(CC)CCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000016182722	IE	Agent	Anodyne	 
C[C@@H]1CN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@@H](C)O1	ZINC000016210967	IE	Agent	Anodyne	 
C[C@H]1CN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@@H](C)O1	ZINC000016210971	IE	Agent	Anodyne	 
C[C@H]1CN(C(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@H](C)O1	ZINC000016210973	IE	Agent	Anodyne	 
COc1ccc(/C=N/N=C(\N)c2nonc2N)cc1Cn1nc(C)c(Br)c1C	ZINC000019645629	IE	Agent	Mild	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cn3cnc(Cl)c3Cl)o2)cc1	ZINC000002142576	IE	Agent	Reactive	 
C[C@@H](C(=O)NNC(=O)CCl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000002148213	IE	Agent	Reactive	 
C[C@H](C(=O)NNC(=O)CCl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	ZINC000002148214	IE	Agent	Reactive	 
COC(=O)[C@]1(C(F)(F)F)N=C(c2nc3ccc([N+](=O)[O-])cc3s2)OC(N(C)C)=N1	ZINC000020215494	IE	Agent	Bother	
COC(=O)[C@@]1(C(F)(F)F)N=C(c2nc3ccc([N+](=O)[O-])cc3s2)OC(N(C)C)=N1	ZINC000020215496	IE	Agent	Bother	
C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1cccc(NS(C)(=O)=O)c1	ZINC000020294602	IE	Agent	Reactive	
N=C1S[C@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1/N=C/c1ccc2c(c1)OCO2	ZINC000020438118	IE	Agent	Mild	
N=C1S[C@@H](C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1/N=C/c1ccc2c(c1)OCO2	ZINC000020438122	IE	Agent	Mild	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000020457971	IE	Agent	Reactive	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)C(=O)Nc1ccc(F)cc1	ZINC000020458093	IE	Agent	Reactive	 
CCOC(=O)[C@@](NC(=O)Cc1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000020609027	IE	Agent	Anodyne	
CCOC(=O)[C@](NC(=O)Cc1ccccc1)(NS(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000020609028	IE	Agent	Anodyne	
O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000238825270	IE	Agent	Anodyne	 
O=C(NC[C@@](O)(c1ccco1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1	ZINC000238839267	IE	Agent	Anodyne	 
O=C(NC[C@](O)(c1ccco1)c1cccs1)C(=O)Nc1cccc(N2CCCC2=O)c1	ZINC000238839268	IE	Agent	Anodyne	 
CC(=O)Nc1ncc(S(=O)(=O)NC[C@](O)(c2ccsc2)c2cccs2)s1	ZINC000238856247	IE	Agent	Anodyne	 
CC(=O)Nc1ncc(S(=O)(=O)NC[C@@](O)(c2ccsc2)c2cccs2)s1	ZINC000238856248	IE	Agent	Anodyne	 
CCOC(=O)/C=c1/s/c(=C\c2ccsc2)c(=O)n1CC(=O)N[C@H](C)c1ccccc1	ZINC000241277624	IE	Agent	Anodyne	 
CC(=O)C[C@@H]1N(C2CCCC2)C(=O)[C@@H]2N(Cc3ccc(Cl)cc3)C(=O)[C@H]3CC(=O)O[C@@]312	ZINC000245228520	IE	Agent	Anodyne	 
CCOC(=O)CC[C@@H]1C(=O)[C@@](C)(C(=O)OCC)CC[C@H]1C(C(=O)OCC)C(=O)OCC	ZINC000247853065	IE	Agent	Anodyne	 
CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCC(=O)N1CCOCC1	ZINC000002633147	IE	Agent	Reactive	 
CCNC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1	ZINC000002662822	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1	ZINC000002697413	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1	ZINC000002697418	IE	Agent	Anodyne	 
COCCCN1C(=O)/C(=C/c2cnn(C)c2)N=C1SCC(=O)NCc1ccccc1	ZINC000002785641	IE	Agent	Anodyne	 
CCn1cc(CN2C(=O)/C(=C/c3ccc(OC)c(CN4CCOCC4)c3)N=C2S)cn1	ZINC000002805193	IE	Agent	Anodyne	 
CCn1cc(CN2C(=O)/C(=C/c3ccc(OCCN4CCOCC4)cc3)N=C2S)cn1	ZINC000002805203	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1	ZINC000002938613	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1	ZINC000002938614	IE	Agent	Anodyne	 
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	ZINC000253387513	IE	Agent	Mild	 
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H]1C[C@@H]31	ZINC000253387514	IE	Agent	Mild	 
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	ZINC000253387515	IE	Agent	Mild	 
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	ZINC000253387516	IE	Agent	Mild	 
O=c1ccc(N2CCC(NS(=O)(=O)c3ccc(Cl)s3)CC2)nn1CC1CC1	ZINC000253409407	IE	Agent	Anodyne	 
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H]2c2nncn2Cc2ccncc2)c1	ZINC000253413568	IE	Agent	Anodyne	 
COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H]2c2nncn2Cc2ccncc2)c1	ZINC000253413569	IE	Agent	Anodyne	 
C/C=C/c1ccc(OCC(=O)NS(=O)(=O)Nc2ccc(C(=O)OC)cc2)c(OC)c1	ZINC000253430483	IE	Agent	Anodyne	 
CCOC(=O)C=c1sc(=Cc2ccc(N(C)C)cc2)c(=O)n1CC(=O)c1ccccc1	ZINC000254288737	IE	Agent	Clean	 
CC(=NOCC(=O)OCC(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2	ZINC000254291355	IE	Agent	Mild	 
C=CCOc1ccccc1C=c1sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O	ZINC000254294258	IE	Agent	Mild	 
COc1cc(Br)c(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1OC	ZINC000254304855	IE	Agent	Anodyne	 
CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1CC	ZINC000254305720	IE	Agent	Mild	 
C/C=C/Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)nc(O)n2C	ZINC000254305733	IE	Agent	Anodyne	 
C/C=C\Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)nc(O)n2C	ZINC000254305734	IE	Agent	Anodyne	 
Cc1ccc2c(c1)sc(=NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)n2C	ZINC000254307995	IE	Agent	Anodyne	 
CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccccc2C(F)(F)F)c1=O	ZINC000254308110	IE	Agent	Anodyne	 
O=C(NN=Cc1ccc(N2CCOCC2)s1)NN=Cc1ccc(N2CCOCC2)s1	ZINC000254312613	IE	Agent	Reactive	 
N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(Cl)cc1	ZINC000254315550	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C=NNc3ccc(Cl)nn3)n(C)c2)cc1	ZINC000254321274	IE	Agent	Anodyne	 
Cc1ccccc1C(=O)C=c1sc(=Cc2cccs2)c(=O)n1CC(=O)NC(C)C	ZINC000254346270	IE	Agent	Anodyne	 
COc1ccc(-c2nn(CCC#N)cc2C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1	ZINC000254349246	IE	Agent	Mild	 
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2cccc(-n3cnnn3)c2)cc1	ZINC000254353169	IE	Agent	Anodyne	 
Cc1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3cccs3)c2=O)no1	ZINC000254365169	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	ZINC000254381796	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	ZINC000254381797	IE	Agent	Anodyne	 
CCCOc1ccc(-c2nc3sc(=Cc4ccc(OCC(N)=O)cc4)c(=O)n3n2)cc1	ZINC000254381891	IE	Agent	Anodyne	 
COCCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21	ZINC000254384617	IE	Agent	Bother	 
CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc2c(c1)OCCO2	ZINC000254394882	IE	Agent	Anodyne	 
Cc1cccc(C=c2sc(=CC(=O)c3ccco3)n(CC(=O)NC3CCCC3)c2=O)c1	ZINC000254395471	IE	Agent	Anodyne	 
Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)Cn2cnc3ccccc3c2=O)cc1	ZINC000254396986	IE	Agent	Anodyne	 
O=C(NN=C1C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1cccnc1	ZINC000254398257	IE	Agent	Anodyne	 
O=C(Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccsc2)c1=O)NC1CCCC1	ZINC000254399570	IE	Agent	Anodyne	 
COc1cc(Br)c(C=c2sc(=CC(=O)C(C)(C)C)n(C)c2=O)cc1OC	ZINC000254403491	IE	Agent	Anodyne	 
CCCN1C(=O)C(=c2sc3nc(=O)c(Cc4ccc(C)cc4)nn3c2=O)c2ccccc21	ZINC000254404313	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccco1	ZINC000254405058	IE	Agent	Clean	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccco1	ZINC000254405062	IE	Agent	Clean	 
CC(=NNC(=O)c1nn(C)c(C)c1Br)c1cccc(NS(C)(=O)=O)c1	ZINC000254408988	IE	Agent	Anodyne	 
COc1cc(C(=O)N=c2sc3ccccc3n2C)ccc1OCC(=O)N1CCOCC1	ZINC000254415848	IE	Agent	Anodyne	 
Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2F)c1=O	ZINC000254420475	IE	Agent	Mild	 
CCOC(=O)CN1C(=O)C(=NNC(=O)c2ccoc2C)c2cc(Br)ccc21	ZINC000254439309	IE	Agent	Anodyne	 
COc1cc(C[C@H]2CC(C(=O)NN=Cc3ccc(F)cc3)=NO2)c(OC)c2c1OCO2	ZINC000254439479	IE	Agent	Reactive	 
COc1cc(C[C@@H]2CC(C(=O)NN=Cc3ccc(F)cc3)=NO2)c(OC)c2c1OCO2	ZINC000254439480	IE	Agent	Reactive	 
CCOC(=O)C=c1sc(=Cc2ccc(C(C)(C)C)cc2)c(=O)n1CC(=O)NCC(C)C	ZINC000254440505	IE	Agent	Anodyne	 
CC1CCN(C(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccsc3)c2=O)CC1	ZINC000254440562	IE	Agent	Anodyne	 
COc1c(O)cc(C=NNC(=O)c2c(Br)cnn2C)cc1Br	ZINC000254442244	IE	Agent	Anodyne	 
O=c1nc2sc(=Cc3cccc(Br)c3)c(=O)n2nc1Cc1ccccc1	ZINC000254442677	IE	Agent	Anodyne	 
CCOC(=O)C=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccc(C(=O)OC)cc1	ZINC000254446478	IE	Agent	Anodyne	 
CC(=NNC(=O)Cn1nc(C)cc1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000254448711	IE	Agent	Reactive	 
COCCn1c(NN=C/C(Br)=C\c2ccccc2)nc2c1c(O)nc(=O)n2C	ZINC000254451917	IE	Agent	Mild	 
COCCn1c(NN=C/C(Br)=C/c2ccccc2)nc2c1c(O)nc(=O)n2C	ZINC000254451928	IE	Agent	Mild	 
COc1ccc(C(C)=NOCC(=O)NN=C2C(=O)N(CN3CCCC3)c3ccccc32)cc1	ZINC000254478057	IE	Agent	Reactive	 
Cn1c(=NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)sc2ccccc21	ZINC000254481415	IE	Agent	Anodyne	 
Nc1nonc1-n1nnc(C(=O)NN=Cc2c[nH]c3ccccc23)c1CNc1ccccc1	ZINC000254482828	IE	Agent	Reactive	 
Cn1c(=NNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)sc2ccccc21	ZINC000254485788	IE	Agent	Anodyne	 
CCN1C(=O)C(=c2sc3nc(-c4ccc(OC)c(OC)c4)nn3c2=O)c2ccccc21	ZINC000254489925	IE	Agent	Anodyne	 
Cc1ccc(C=c2sc(=CC(=O)C(C)(C)C)n(CC(=O)NCc3ccco3)c2=O)s1	ZINC000254493993	IE	Agent	Anodyne	 
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2[C@@H]1c1cnn(C)c1C	ZINC000254499531	IE	Agent	Anodyne	 
COC(=O)C1=C(C)N=c2sc(=Cc3ccc(Cl)cc3)c(=O)n2[C@H]1c1cnn(C)c1C	ZINC000254499532	IE	Agent	Anodyne	 
COc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC	ZINC000254508307	IE	Agent	Mild	 
CCCCCc1nc2c(c(=O)nc(O)n2C)n1CC(=O)NN=Cc1ccc(Cl)cc1	ZINC000254511986	IE	Agent	Anodyne	 
CCn1c(SCC(=O)NN=Cc2ccncc2)nnc1-c1cc(C(F)(F)F)n(C)n1	ZINC000254512936	IE	Agent	Reactive	 
CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=Cc3ccc(N(C)C)cc3)c(=O)n12	ZINC000254513555	IE	Agent	Anodyne	 
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1sc(=Cc3ccc(N(C)C)cc3)c(=O)n12	ZINC000254513559	IE	Agent	Anodyne	 
CCCc1c(C=NNC(=O)c2cc(=O)n3ccsc3n2)c(OC)c2c(c1OC)OCO2	ZINC000254514509	IE	Agent	Reactive	 
COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@H]1c1cccs1	ZINC000254514633	IE	Agent	Anodyne	 
COCCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3)c(=O)n2[C@@H]1c1cccs1	ZINC000254514635	IE	Agent	Anodyne	 
CCOC(=O)C=c1sc(=Cc2ccsc2)c(=O)n1Cc1cc(C(C)=O)ccc1OC	ZINC000254515883	IE	Agent	Anodyne	 
CCCN1C(=O)C(=c2sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)c2ccccc21	ZINC000254522425	IE	Agent	Anodyne	 
COc1cc(C=NNC(=S)NCCN2CCOCC2)ccc1OC(=O)c1cccs1	ZINC000254522919	IE	Agent	Mild	 
COc1cc(C=NNC(=O)c2ccoc2C)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	ZINC000254523829	IE	Agent	Reactive	 
COc1cc(C=NNC(=O)c2ccoc2C)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000254523835	IE	Agent	Reactive	 
COc1cc(C=NNC(=O)c2ccoc2C)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000254523842	IE	Agent	Reactive	 
CCn1c(=C(C#N)C(=O)Nc2ccc(C)cc2)sc(=Cc2ccc(N(C)C)cc2)c1=O	ZINC000254528945	IE	Agent	Clean	 
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)NN=Cc1ccc(Br)cc1	ZINC000254556226	IE	Agent	Anodyne	 
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)NN=Cc1ccc(Br)cc1	ZINC000254556227	IE	Agent	Anodyne	 
CC(=NOCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000254558308	IE	Agent	Mild	 
CC(C)NC(=O)Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccc(Cl)cc2)c1=O	ZINC000254558604	IE	Agent	Anodyne	 
CC[C@H](C)NC(=O)Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccc(F)cc2)c1=O	ZINC000254588625	IE	Agent	Anodyne	 
CC[C@@H](C)NC(=O)Cn1c(=CC(=O)c2ccco2)sc(=Cc2ccc(F)cc2)c1=O	ZINC000254588628	IE	Agent	Anodyne	 
Cc1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccsc3)c2=O)no1	ZINC000254589050	IE	Agent	Anodyne	 
Cc1ccc(Cn2ccsc2=NC(=O)CSc2nnc(-c3cccnc3)n2N)cc1	ZINC000254593737	IE	Agent	Anodyne	 
CCCn1c(=NC(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	ZINC000254609076	IE	Agent	Bother	 
CC(=NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000254618841	IE	Agent	Anodyne	 
CC(=NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000254618842	IE	Agent	Anodyne	 
CCOC(=O)C=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1Cc1ccc(F)cc1	ZINC000254633972	IE	Agent	Anodyne	 
CCOC(=O)C1=C(N)n2c(sc(=Cc3ccsc3)c2=O)=C(C#N)[C@@H]1c1ccsc1	ZINC000254645558	IE	Agent	Anodyne	 
CCOC(=O)C1=C(N)n2c(sc(=Cc3ccsc3)c2=O)=C(C#N)[C@H]1c1ccsc1	ZINC000254645560	IE	Agent	Anodyne	 
COc1cc(C(C)=NNC(=O)Cc2csc(N3CCOCC3)n2)cc(OC)c1OC	ZINC000254666755	IE	Agent	Reactive	 
Cc1ccccc1C(=O)C=c1sc(=Cc2ccccn2)c(=O)n1CC(=O)NC(C)(C)C	ZINC000254666770	IE	Agent	Anodyne	 
CCOC(=O)c1nn(-c2ccccc2)cc1C=c1sc(=CC(=O)C(C)(C)C)[nH]c1=O	ZINC000254679135	IE	Agent	Anodyne	 
Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O	ZINC000254679576	IE	Agent	Anodyne	 
CC[C@H](C)N(C(=O)COC(=O)/C=C\c1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1	ZINC000254692819	IE	Agent	Anodyne	 
COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccccc2OC(F)F)c1=O	ZINC000254700561	IE	Agent	Anodyne	 
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=NC(C)=O	ZINC000254703299	IE	Agent	Bother	 
CCOc1ccccc1C=c1sc(=C(C#N)C#N)n(-c2ccc3c(c2)OCCO3)c1=O	ZINC000254708124	IE	Agent	Anodyne	 
O=C(NN=C1C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1Br	ZINC000254737241	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2[C@@H]1c1cccs1	ZINC000254739411	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2[C@H]1c1cccs1	ZINC000254739412	IE	Agent	Anodyne	 
COC(=O)c1ccccc1-c1ccc(C=c2sc(=CC(=O)c3ccncc3)[nH]c2=O)o1	ZINC000254739680	IE	Agent	Anodyne	 
COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2[C@@H]1c1cnn(C)c1C	ZINC000254744145	IE	Agent	Anodyne	 
COC(=O)C1=C(C)N=c2sc(=Cc3ccccc3Cl)c(=O)n2[C@H]1c1cnn(C)c1C	ZINC000254744146	IE	Agent	Anodyne	 
COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(OC(F)F)cc2)c1=O	ZINC000254744350	IE	Agent	Anodyne	 
N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1	ZINC000254747132	IE	Agent	Anodyne	 
CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2ccc(C(F)(F)F)cc2)c1=O	ZINC000254751058	IE	Agent	Anodyne	 
O=c1nc2sc(=Cc3ccccc3Br)c(=O)n2nc1Cc1ccccc1	ZINC000254758018	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2[C@H]1c1ccccc1	ZINC000254758590	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=C3C(=O)Nc4ccccc43)c(=O)n2[C@@H]1c1ccccc1	ZINC000254758593	IE	Agent	Anodyne	 
N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cccnc2)c(=O)n1-c1ccccc1	ZINC000254762171	IE	Agent	Anodyne	 
CCNC(=O)Cn1c(=CC(=O)c2ccccc2C)sc(=Cc2ccccc2Cl)c1=O	ZINC000254765960	IE	Agent	Anodyne	 
Nc1nonc1-n1nnc(C(=O)NN=C/C=C\c2ccccc2)c1CN1CCCCCC1	ZINC000254771003	IE	Agent	Reactive	 
Nc1nonc1-n1nnc(C(=O)NN=C/C=C/c2ccccc2)c1CN1CCCCCC1	ZINC000254771007	IE	Agent	Reactive	 
C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NN=Cc1cccc(O)c1	ZINC000254772177	IE	Agent	Reactive	 
CCOc1cc(C=NNc2ccc(S(N)(=O)=O)cc2)ccc1O[C@@H](C)C(=O)N(C)C	ZINC000254795627	IE	Agent	Anodyne	 
CCOc1cc(C=NNc2ccc(S(N)(=O)=O)cc2)ccc1O[C@H](C)C(=O)N(C)C	ZINC000254795630	IE	Agent	Anodyne	 
COc1ccc(Cc2nn3c(=O)c(=CC4=Cc5ccccc5OC4)sc3nc2=O)cc1	ZINC000254809049	IE	Agent	Anodyne	 
Cc1cccc(-n2c(=C(C#N)C(=O)c3ccccc3F)sc(=Cc3cnn(C)c3)c2=O)c1	ZINC000254809111	IE	Agent	Anodyne	 
CCN(CC)CN1C(=O)C(=NNC(=O)CON=Cc2ccc(OC)cc2)c2ccccc21	ZINC000254812926	IE	Agent	Reactive	 
CCOc1cc(C=c2sc(=CC(=O)Nc3ccccc3OC)[nH]c2=O)ccc1OC	ZINC000254814894	IE	Agent	Anodyne	 
COc1cc(C=NNC(N)=O)c(Br)cc1OCC(=O)NCCc1ccccc1	ZINC000254815919	IE	Agent	Anodyne	 
Cc1ccc(C=c2sc(=CC(=O)c3ccco3)n(CC(=O)NC3CCCC3)c2=O)cc1	ZINC000254821163	IE	Agent	Anodyne	 
CCn1c(C)nc2cc(C(=O)NN=C3C(=O)N(CN4CCOCC4)c4ccccc43)ccc21	ZINC000254824762	IE	Agent	Reactive	 
Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1	ZINC000254825476	IE	Agent	Mild	aggregator
CC(=NNC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000254833386	IE	Agent	Reactive	 
COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)c(OC)c1OC	ZINC000254833828	IE	Agent	Anodyne	 
N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1	ZINC000254834139	IE	Agent	Anodyne	 
CC(=NOCC(=O)NN=C1C(=O)N(CN2CCCC2)c2ccccc21)c1cccs1	ZINC000254836223	IE	Agent	Reactive	 
N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1	ZINC000254838827	IE	Agent	Anodyne	 
COc1cc(C[C@H]2CC(C(=O)NN=Cc3ccccc3F)=NO2)c(OC)c2c1OCO2	ZINC000254839070	IE	Agent	Reactive	 
COc1cc(C[C@@H]2CC(C(=O)NN=Cc3ccccc3F)=NO2)c(OC)c2c1OCO2	ZINC000254839071	IE	Agent	Reactive	 
C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(OC)ccc3ccccc23)c1=O	ZINC000254839269	IE	Agent	Mild	 
CCCOc1ccc(Cc2nn3c(=O)c(=Cc4ccccc4OC)sc3nc2=O)cc1	ZINC000254846623	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3)c(=O)n2[C@H]1c1cccs1	ZINC000254856489	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3cnn(CC)c3)c(=O)n2[C@@H]1c1cccs1	ZINC000254856493	IE	Agent	Anodyne	 
CC(=NOCC(=O)OCC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc2c(c1)OCO2	ZINC000254858596	IE	Agent	Mild	 
Cc1cc(NC(=O)Cn2c(=CC(=O)C(C)(C)C)sc(=Cc3ccc(C)s3)c2=O)no1	ZINC000254861867	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccncc3)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000254865706	IE	Agent	Anodyne	 
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccncc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	ZINC000254865707	IE	Agent	Anodyne	 
Cc1ccc(-n2c(=C(C#N)C(N)=O)sc(=Cc3c(F)cccc3Cl)c2=O)c(C)c1	ZINC000254866640	IE	Agent	Anodyne	 
Cc1ncc(CO)c(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1O	ZINC000254870374	IE	Agent	Reactive	 
COc1ccc(C=NNC(=O)C2=NO[C@@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)cc1	ZINC000254873014	IE	Agent	Reactive	 
COc1ccc(C=NNC(=O)C2=NO[C@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)cc1	ZINC000254873015	IE	Agent	Reactive	 
CCOc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(C(=O)OC)cc3)c2=O)cc1	ZINC000254876682	IE	Agent	Anodyne	 
CCCOc1ccccc1C=c1sc2nc(=O)c(Cc3ccc(OC)cc3)nn2c1=O	ZINC000254878001	IE	Agent	Anodyne	 
Cc1ccccc1C(=O)C=c1sc(=Cc2cccc(F)c2)c(=O)n1CC(=O)NC(C)C	ZINC000254895328	IE	Agent	Anodyne	 
Cc1ncc(CO)c(C=NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1O	ZINC000254898396	IE	Agent	Reactive	 
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1sc(=Cc3cnc4ccccc4n3)c(=O)n12	ZINC000254924601	IE	Agent	Anodyne	 
CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1sc(=Cc3cnc4ccccc4n3)c(=O)n12	ZINC000254924602	IE	Agent	Anodyne	 
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1N=Nc1cccc(S(=O)(=O)O)c1	ZINC000256005104	IE	Agent	Clean	 
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1N=Nc1cccc(S(=O)(=O)O)c1	ZINC000256005105	IE	Agent	Clean	 
C=CCn1c(COc2c(F)cc(Br)cc2F)nnc1SCC(=O)NN	ZINC000256031034	IE	Agent	Reactive	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@@H]3N4c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000256047201	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3N1c1ccc([N+](=O)[O-])cc1	ZINC000256047202	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H]3N1c1ccc([N+](=O)[O-])cc1	ZINC000256047203	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@H]3N4c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O	ZINC000256047204	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@H]3N4c3ccccc3[N+](=O)[O-])[C@H]2C1=O	ZINC000256049399	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H]3N1c1ccccc1[N+](=O)[O-]	ZINC000256049400	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H]3N1c1ccccc1[N+](=O)[O-]	ZINC000256049401	IE	Agent	Anodyne	 
O=C(O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4[C@@H]3N4c3ccccc3[N+](=O)[O-])[C@H]2C1=O	ZINC000256049402	IE	Agent	Anodyne	 
CCc1nnc([C@@H]2CN(C)CC23CCN(S(=O)(=O)c2cc(F)ccc2OC)CC3)o1	ZINC000257173928	IE	Agent	Anodyne	 
CCc1nnc([C@H]2CN(C)CC23CCN(S(=O)(=O)c2cc(F)ccc2OC)CC3)o1	ZINC000257173929	IE	Agent	Anodyne	 
CN(C)C[C@@H]1CC(F)(F)CN1C1CCN(C(=O)CCn2c(=O)oc3ccccc32)CC1	ZINC000257174002	IE	Agent	Anodyne	 
CC(=O)N1CCn2c(nnc2[C@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1	ZINC000257174162	IE	Agent	Anodyne	 
CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1	ZINC000257174163	IE	Agent	Anodyne	 
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CC[C@@H](n2nc(C)nc2C2CCOCC2)C1	ZINC000257174342	IE	Agent	Anodyne	 
CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CC[C@H](n2nc(C)nc2C2CCOCC2)C1	ZINC000257174343	IE	Agent	Anodyne	 
CCc1nnc([C@@H]2CN(C)CC23CCN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1	ZINC000257174448	IE	Agent	Anodyne	 
CCc1nnc([C@H]2CN(C)CC23CCN(S(=O)(=O)c2ccc(F)cc2F)CC3)o1	ZINC000257174449	IE	Agent	Anodyne	 
COCCc1nc(O)c2c(n1)CCN(C(=O)c1noc(C)c1Cc1c(C)noc1C)CC2	ZINC000257174744	IE	Agent	Anodyne	 
COc1ccc(F)cc1S(=O)(=O)N1CCC2(CC1)NCCCN=C2NC1CCCC1	ZINC000257174752	IE	Agent	Anodyne	 
O=C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC2(CCOCC2)N1CC1CC1	ZINC000257174803	IE	Agent	Anodyne	 
CC(=O)N1CCn2c(nnc2[C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000257175277	IE	Agent	Anodyne	 
CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1	ZINC000257175278	IE	Agent	Anodyne	 
Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)[C@@H](c3ccccc3)CC(=O)NCC2)s1	ZINC000257175514	IE	Agent	Anodyne	 
Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)[C@H](c3ccccc3)CC(=O)NCC2)s1	ZINC000257175515	IE	Agent	Anodyne	 
Cc1ccc(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CCC(=O)NCC2)s1	ZINC000257175628	IE	Agent	Anodyne	 
CC(=O)Nc1ccc(S(=O)(=O)N2CCC3(CC2)c2nccn2CCN3C)cc1Cl	ZINC000257175671	IE	Agent	Anodyne	 
O=C1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCCCCCN1	ZINC000257176106	IE	Agent	Anodyne	 
O=C(c1cc(CN2CCOCC2)on1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12	ZINC000257176509	IE	Agent	Anodyne	 
COCCN1CC2(CCN(C(=O)c3ccc(OC)nc3OC)CC2)[C@@H]1c1ccncc1	ZINC000257176523	IE	Agent	Anodyne	 
COCCN1CC2(CCN(C(=O)c3ccc(OC)nc3OC)CC2)[C@H]1c1ccncc1	ZINC000257176525	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(C(=O)c2ccsc2)CCNC(=O)C[C@@H]1c1ccccc1	ZINC000257176970	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(C(=O)c2ccsc2)CCNC(=O)C[C@H]1c1ccccc1	ZINC000257176973	IE	Agent	Anodyne	 
Cc1cc(S(=O)(=O)N2CC[C@]3(CN(C)C)CN(C(=O)N(C)C)C[C@@H]3C2)ccc1Cl	ZINC000257177007	IE	Agent	Anodyne	 
COc1ccc2[nH]c3c(c2c1)CCNC31CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1	ZINC000257177078	IE	Agent	Anodyne	 
O=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccsc1	ZINC000257177135	IE	Agent	Anodyne	 
Cn1nc(Cc2ccccc2)n(C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1=O	ZINC000257177344	IE	Agent	Anodyne	 
Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(CN(C)C)CN(C(=O)N(C)C)C[C@@H]3C2)cc1C	ZINC000257177359	IE	Agent	Anodyne	 
CC(=O)N1CCn2c(nnc2[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1	ZINC000257177657	IE	Agent	Anodyne	 
CC(=O)N1CCn2c(nnc2[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1	ZINC000257177658	IE	Agent	Anodyne	 
Cc1cc(C)c(S(=O)(=O)N2CC[C@@H](c3nnc4n3CCN(C(=O)C(C)C)C4)C2)cc1C	ZINC000257177856	IE	Agent	Anodyne	 
Cc1cc(C)c(S(=O)(=O)N2CC[C@H](c3nnc4n3CCN(C(=O)C(C)C)C4)C2)cc1C	ZINC000257177858	IE	Agent	Anodyne	 
O=C(CN1C(=O)CCC1=O)N1CCCCCCn2c(nnc2-c2ccc(F)cc2)CC1	ZINC000257177908	IE	Agent	Anodyne	 
Cc1onc(C(=O)N2CCC(N3CC(F)(F)C[C@H]3CO)CC2)c1CN1CCCCC1	ZINC000257177953	IE	Agent	Anodyne	 
O=C1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CCCCCCN1	ZINC000257178104	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(C(=O)c2cccs2)CCNC(=O)C[C@H]1c1ccccc1	ZINC000257178217	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(C(=O)c2cccs2)CCNC(=O)C[C@@H]1c1ccccc1	ZINC000257178220	IE	Agent	Anodyne	 
O=C(C[C@H]1CCOC2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)C1)N1CCCC1	ZINC000257178395	IE	Agent	Anodyne	 
O=C(C[C@@H]1CCOC2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)C1)N1CCCC1	ZINC000257178397	IE	Agent	Anodyne	 
Cc1onc(C(=O)N2CC[C@H](c3nc(CCOCC4CC4)no3)C2)c1Cn1cccn1	ZINC000257179148	IE	Agent	Anodyne	 
Cc1onc(C(=O)N2CC[C@@H](c3nc(CCOCC4CC4)no3)C2)c1Cn1cccn1	ZINC000257179150	IE	Agent	Anodyne	 
COCCn1c(C)cc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCCC2)c1C	ZINC000257179703	IE	Agent	Anodyne	 
COCCO[C@@H]1CN(C2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C12CCCCC2	ZINC000257180138	IE	Agent	Anodyne	 
COCCO[C@H]1CN(C2CCN(C(=O)C3CCN(C(C)=O)CC3)CC2)C12CCCCC2	ZINC000257180139	IE	Agent	Anodyne	 
O=C(O)c1cccc(C(=O)N2CC[C@H](c3nnc4n3CCN(Cc3cccnc3)CC4)C2)c1	ZINC000257180439	IE	Agent	Anodyne	 
O=C(O)c1cccc(C(=O)N2CC[C@@H](c3nnc4n3CCN(Cc3cccnc3)CC4)C2)c1	ZINC000257180441	IE	Agent	Anodyne	 
CCn1ccc(C(=O)N2CC[C@H]3C(=O)NCCCCCCN(Cc4ccncc4)[C@@H]3C2)n1	ZINC000257180468	IE	Agent	Anodyne	 
Cc1ccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)cn1	ZINC000257181022	IE	Agent	Anodyne	 
CC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)CCc1nc3ccccc3s1)C2	ZINC000257181259	IE	Agent	Anodyne	 
Cn1nccc1C(=O)N1CCCN(Cc2ccncc2)[C@@H](c2ccccc2)CC(=O)NCC1	ZINC000257181512	IE	Agent	Anodyne	 
Cn1nccc1C(=O)N1CCCN(Cc2ccncc2)[C@H](c2ccccc2)CC(=O)NCC1	ZINC000257181514	IE	Agent	Anodyne	 
Cc1noc(C)c1CCNC(=O)[C@H]1CCCN(Cc2ccncc2)CCC(=O)NCC1	ZINC000257181772	IE	Agent	Anodyne	 
Cc1noc(C)c1CCNC(=O)[C@@H]1CCCN(Cc2ccncc2)CCC(=O)NCC1	ZINC000257181773	IE	Agent	Anodyne	 
CN1CCC(CC(=O)N2C[C@H](C(=O)NCc3ccccc3)C3(CCN(C)CC3)C2)CC1	ZINC000257181935	IE	Agent	Anodyne	 
CN1CCC(CC(=O)N2C[C@@H](C(=O)NCc3ccccc3)C3(CCN(C)CC3)C2)CC1	ZINC000257181936	IE	Agent	Anodyne	 
O[C@@H]1C[C@@H](c2nnc3n2CCN(Cc2ccc(F)c(F)c2)C3)N(Cc2cccnc2)C1	ZINC000257182209	IE	Agent	Anodyne	 
Cc1ncsc1CN1CCCN(S(C)(=O)=O)[C@@H](c2ccccc2)CC(=O)NCC1	ZINC000257182301	IE	Agent	Anodyne	 
Cc1ncsc1CN1CCCN(S(C)(=O)=O)[C@H](c2ccccc2)CC(=O)NCC1	ZINC000257182302	IE	Agent	Anodyne	 
Cc1cc(C(=O)N2CC[C@H]3C(=O)NCCCCCCN(Cc4ccncc4)[C@@H]3C2)n(C)n1	ZINC000257182336	IE	Agent	Anodyne	 
Cc1ncoc1C(=O)N1CC[C@H]2C(=O)NCCCCCCN(Cc3ccncc3)[C@@H]2C1	ZINC000257182356	IE	Agent	Anodyne	 
CCOc1ccccc1CN1CCCN(S(=O)(=O)c2ccccc2)CCC(=O)NCC1	ZINC000257182377	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CCNC(=O)C[C@@H]1c1ccccc1	ZINC000257182480	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2)CCNC(=O)C[C@H]1c1ccccc1	ZINC000257182481	IE	Agent	Anodyne	 
CCn1cc(CN(C)C(=O)[C@H]2CCCN(Cc3cccnc3)CCC(=O)NCC2)c(C)n1	ZINC000257183048	IE	Agent	Anodyne	 
CCn1cc(CN(C)C(=O)[C@@H]2CCCN(Cc3cccnc3)CCC(=O)NCC2)c(C)n1	ZINC000257183049	IE	Agent	Anodyne	 
O=C([C@@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)Cc1ccccc1F)N1CCOCC1	ZINC000257183337	IE	Agent	Anodyne	 
O=C([C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)Cc1ccccc1F)N1CCOCC1	ZINC000257183338	IE	Agent	Anodyne	 
Cc1ncccc1C(=O)NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1	ZINC000257183392	IE	Agent	Anodyne	 
COCCc1noc(-c2ccccc2OC2CN(C(=O)CCn3nc(C)cc3C)C2)n1	ZINC000257183516	IE	Agent	Anodyne	 
N#Cc1cccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)c1	ZINC000257183595	IE	Agent	Anodyne	 
N#Cc1ccc(C(=O)NC2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)cc1	ZINC000257183731	IE	Agent	Anodyne	 
Cn1cc(CN2CCn3c(nnc3[C@@H]3C[C@@H](O)CN3Cc3cccnc3)C2)c2ccccc21	ZINC000257183813	IE	Agent	Anodyne	 
COc1cccc(CN2CCC[C@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)n1	ZINC000257183824	IE	Agent	Anodyne	 
COc1cccc(CN2CCC[C@@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)n1	ZINC000257183825	IE	Agent	Anodyne	 
O=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)Cc2cccc(F)c2)CC1	ZINC000257183963	IE	Agent	Anodyne	 
CCn1ncc(CN2CCC[C@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c1C	ZINC000257184107	IE	Agent	Anodyne	 
CCn1ncc(CN2CCC[C@@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c1C	ZINC000257184108	IE	Agent	Anodyne	 
O=C([C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)CCc1nc2ccccc2[nH]1)N1CCOCC1	ZINC000257184314	IE	Agent	Anodyne	 
Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2nc(C(C)C)no2)CCNC(=O)CC1	ZINC000257184470	IE	Agent	Anodyne	 
Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2nc(C(C)C)no2)CCNC(=O)CC1	ZINC000257184471	IE	Agent	Anodyne	 
COCCn1nc(N2CCC[C@H](NS(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)ccc1=O	ZINC000257185110	IE	Agent	Anodyne	 
COCCn1nc(N2CCC[C@@H](NS(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)ccc1=O	ZINC000257185111	IE	Agent	Anodyne	 
CCn1ccc(C(=O)NCC(=O)N2CCCCCCNC(=O)C[C@H]2c2ccccc2)n1	ZINC000257185163	IE	Agent	Anodyne	 
CCn1ccc(C(=O)NCC(=O)N2CCCCCCNC(=O)C[C@@H]2c2ccccc2)n1	ZINC000257185165	IE	Agent	Anodyne	 
CC(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)NCCCN1CCCC1=O	ZINC000257185532	IE	Agent	Anodyne	 
O=C1NCCCCCCN(Cc2ccncc2)[C@@H]2CN(C(=O)C3CCOCC3)CC[C@@H]12	ZINC000257185717	IE	Agent	Anodyne	 
Cn1nc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)N2CCOCC2)c2ccccc21	ZINC000257185801	IE	Agent	Anodyne	 
CCn1cc(CN2CCC[C@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c(C)n1	ZINC000257185871	IE	Agent	Anodyne	 
CCn1cc(CN2CCC[C@@H](c3nc(-c4cnccn4)no3)CCNC(=O)CC2)c(C)n1	ZINC000257185873	IE	Agent	Anodyne	 
O=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccccc1F	ZINC000257186411	IE	Agent	Anodyne	 
O=C1CN(C(=O)CCC[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2Cc2ccccc2)[C@@H]34)CCN1	ZINC000257186485	IE	Agent	Anodyne	 
CCn1nc(N2CCC[C@@H](NC(=O)c3noc(C)c3CN3CCC(C)CC3)C2)ccc1=O	ZINC000257186636	IE	Agent	Anodyne	 
CCn1nc(N2CCC[C@H](NC(=O)c3noc(C)c3CN3CCC(C)CC3)C2)ccc1=O	ZINC000257186638	IE	Agent	Anodyne	 
O=C1C[C@@H](c2ccccc2)N(C(=O)CNS(=O)(=O)c2cccs2)CCCCCN1	ZINC000257186770	IE	Agent	Anodyne	 
O=C1C[C@H](c2ccccc2)N(C(=O)CNS(=O)(=O)c2cccs2)CCCCCN1	ZINC000257186771	IE	Agent	Anodyne	 
O=C(CCC[C@H]1NC[C@@H]2C[C@H]1CN(Cc1ccccc1)C2)NCCCN1CCOCC1	ZINC000257186888	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(Cc2ccccc2C#N)CCNC(=O)C[C@@H]1c1ccccc1	ZINC000257186959	IE	Agent	Anodyne	 
CS(=O)(=O)N1CCCN(Cc2ccccc2C#N)CCNC(=O)C[C@H]1c1ccccc1	ZINC000257186960	IE	Agent	Anodyne	 
Cc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(=O)n(CCOc4ccccc4)n3)C2)s1	ZINC000257187440	IE	Agent	Anodyne	 
Cc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccc(=O)n(CCOc4ccccc4)n3)C2)s1	ZINC000257187441	IE	Agent	Anodyne	 
Cc1cc(C(=O)N2CC[C@H]3C(=O)NCCCCCCN(Cc4ccncc4)[C@@H]3C2)nn1C	ZINC000257187583	IE	Agent	Anodyne	 
O=C(NC1CC1)[C@@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1cccc2nsnc12	ZINC000257187588	IE	Agent	Anodyne	 
Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](Oc4cccnc4)C[C@H]3C(=O)NC3CC3)o2)n1	ZINC000257187782	IE	Agent	Anodyne	 
COc1ccc(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)CN3Cc3ccccc3)C2)cc1	ZINC000257187953	IE	Agent	Anodyne	 
CCOc1ccccc1NC(=O)N1C[C@H](Oc2cccnc2)C[C@@H]1C(=O)N1CCOCC1	ZINC000257188154	IE	Agent	Anodyne	 
O=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1nccc2ccccc12)N1CCOCC1	ZINC000257188182	IE	Agent	Anodyne	 
O=C([C@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1nccc2ccccc12)N1CCOCC1	ZINC000257188185	IE	Agent	Anodyne	 
COc1ccc(S(=O)(=O)N(C)[C@H]2CCc3nn(CC4CC4)c(=O)n3CC2)cc1Cl	ZINC000257188666	IE	Agent	Anodyne	 
COc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3nn(CC4CC4)c(=O)n3CC2)cc1Cl	ZINC000257188667	IE	Agent	Anodyne	 
O=C(NC1CCCCC1)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)c2n[nH]c3ccccc23)CC1	ZINC000257188760	IE	Agent	Anodyne	 
COc1ccc(-c2cc(C(=O)N3C[C@@H](Oc4cccnc4)C[C@H]3C(=O)NC3CC3)[nH]n2)cc1	ZINC000257188771	IE	Agent	Anodyne	 
O=C(Cc1ccccc1F)N[C@H]1CCN(c2ccc(=O)n(CCOc3ccccc3)n2)C1	ZINC000257189095	IE	Agent	Anodyne	 
O=C(Cc1ccccc1F)N[C@@H]1CCN(c2ccc(=O)n(CCOc3ccccc3)n2)C1	ZINC000257189097	IE	Agent	Anodyne	 
COc1ccc(F)cc1S(=O)(=O)N1CCC(OCc2noc([C@@H]3CCCO3)n2)CC1	ZINC000257189558	IE	Agent	Anodyne	 
COc1ccc(F)cc1S(=O)(=O)N1CCC(OCc2noc([C@H]3CCCO3)n2)CC1	ZINC000257189559	IE	Agent	Anodyne	 
COc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C2CCN(C(=O)CC3CCCC3)CC2)c1	ZINC000257189579	IE	Agent	Anodyne	 
Cc1nc(C)c(C(=O)N2CCn3c(nnc3[C@@H]3C[C@@H](O)CN3Cc3ccccc3)C2)s1	ZINC000257189586	IE	Agent	Anodyne	 
CN1CCC(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C)[C@@H]45)CC2)CC1	ZINC000257189590	IE	Agent	Anodyne	 
O=C(NCCN1CCCCC1)c1cccnc1N1C[C@H]2C[C@H](C1)[C@H]1CCCC(=O)N1C2	ZINC000257189778	IE	Agent	Anodyne	 
Cc1noc([C@]23CN(Cc4cccnc4)CC[C@H]2CN(C(=O)c2cccc(C(=O)O)c2)C3)n1	ZINC000257190669	IE	Agent	Anodyne	 
CCOc1ccc(S(=O)(=O)N2CCC3(CC[C@@H](CN4CCN(C)CC4)O3)CC2)cc1	ZINC000257190700	IE	Agent	Anodyne	 
CCOc1ccc(S(=O)(=O)N2CCC3(CC[C@H](CN4CCN(C)CC4)O3)CC2)cc1	ZINC000257190722	IE	Agent	Anodyne	 
Cc1noc([C@@]23CN(Cc4cccnc4)C[C@@H]2CCN(C(=O)c2cccc(C(=O)O)c2)C3)n1	ZINC000257190831	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N2CCC3(CC[C@H](CN4CCN(C)CC4)O3)CC2)cc1F	ZINC000257191105	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N2CCC3(CC[C@@H](CN4CCN(C)CC4)O3)CC2)cc1F	ZINC000257191107	IE	Agent	Anodyne	 
CN([C@H]1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000257191156	IE	Agent	Anodyne	 
CN([C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000257191158	IE	Agent	Anodyne	 
Cc1ccccc1S(=O)(=O)N1C[C@@H](Oc2ccccc2)C[C@H]1C(=O)N1CCOCC1	ZINC000257191872	IE	Agent	Anodyne	 
Cc1noc([C@@]23CN(Cc4cccc(C(=O)O)c4)C[C@@H]2CCN(C(=O)c2cccnc2)C3)n1	ZINC000257191997	IE	Agent	Anodyne	 
CC(C)N1C[C@H](O)C[C@H]1c1nnc2n1CCN(C(=O)CCc1c[nH]c3ccccc13)CC2	ZINC000257192055	IE	Agent	Anodyne	 
CCn1ccc(C(=O)N2CCC3(CC2)C[C@@H](N2CCN(c4ccccn4)CC2)CCO3)n1	ZINC000257192578	IE	Agent	Anodyne	 
CCn1ccc(C(=O)N2CCC3(CC2)C[C@H](N2CCN(c4ccccn4)CC2)CCO3)n1	ZINC000257192579	IE	Agent	Anodyne	 
O=C(c1ccccc1F)N1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1	ZINC000257193651	IE	Agent	Anodyne	 
O=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc2ncccc2c1)N1CCOCC1	ZINC000257194035	IE	Agent	Anodyne	 
COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)NC2CC2)cc1	ZINC000257194082	IE	Agent	Anodyne	 
CN1CCN(CC2(O)CCC3(CCN(C(=O)COCc4ccccc4)CC3)CC2)CC1	ZINC000257194172	IE	Agent	Anodyne	 
CC(=O)N1CCC(N2CC[C@@H]3C(=O)NCCCCCCN(Cc4ccncc4)[C@@H]3C2)CC1	ZINC000257194444	IE	Agent	Anodyne	 
COCCCNC(=O)N1CC[C@H]2C(=O)NCCCCCCN(Cc3ccncc3)[C@@H]2C1	ZINC000257194635	IE	Agent	Anodyne	 
Cc1cnc(C(=O)N2CCCN(C(=O)C3CC3)[C@H](c3ccccc3)CC(=O)NCC2)cn1	ZINC000257194777	IE	Agent	Anodyne	 
Cc1cnc(C(=O)N2CCCN(C(=O)C3CC3)[C@@H](c3ccccc3)CC(=O)NCC2)cn1	ZINC000257194778	IE	Agent	Anodyne	 
Cc1onc(C(=O)N2C[C@@H](Oc3ccccc3)C[C@H]2C(=O)NC2CC2)c1Cn1cccn1	ZINC000257194871	IE	Agent	Anodyne	 
COCCNC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000257194904	IE	Agent	Anodyne	 
COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000257194905	IE	Agent	Anodyne	 
O[C@@H]1C[C@@H](c2nnc3n2CCN(Cc2ccc(F)cc2F)C3)N(Cc2cccnc2)C1	ZINC000257194966	IE	Agent	Anodyne	 
COc1ccc(OC)c(S(=O)(=O)N2CCC(N3C[C@H](OC)[C@@H]3c3cccnc3)CC2)c1	ZINC000257195320	IE	Agent	Anodyne	 
COc1cccc(CN2CCCN(S(C)(=O)=O)[C@@H](c3ccccc3)CC(=O)NCC2)c1	ZINC000257195351	IE	Agent	Anodyne	 
COc1cccc(CN2CCCN(S(C)(=O)=O)[C@H](c3ccccc3)CC(=O)NCC2)c1	ZINC000257195352	IE	Agent	Anodyne	 
COCc1nc(-c2ccc(O[C@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)no1	ZINC000257195590	IE	Agent	Anodyne	 
COCc1nc(-c2ccc(O[C@@H]3CCN(S(=O)(=O)c4c(C)noc4C)C3)cc2)no1	ZINC000257195591	IE	Agent	Anodyne	 
O=C(Cc1cccc(F)c1)N1CCn2c(nnc2[C@@H]2C[C@@H](O)CN2Cc2ccccc2)C1	ZINC000257195820	IE	Agent	Anodyne	 
CCn1nccc1C(=O)N1CC[C@H]2C(=O)NCCCCCCN(Cc3ccncc3)[C@@H]2C1	ZINC000257195951	IE	Agent	Anodyne	 
O=C([C@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc2ccccc2n1)N1CCOCC1	ZINC000257196064	IE	Agent	Anodyne	 
O=C([C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1ccc2ccccc2n1)N1CCOCC1	ZINC000257196065	IE	Agent	Anodyne	 
CC(C)CCNC(=O)NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1	ZINC000257196130	IE	Agent	Anodyne	 
CCN1CCN(CCNC(=O)CCC[C@H]2NC[C@@H]3C[C@H]2CN(Cc2ccccc2)C3)CC1	ZINC000257196152	IE	Agent	Anodyne	 
COCCn1c(=O)n([C@H]2CCCN(C(=O)c3cccc4nccnc34)C2)c2ncccc21	ZINC000257196356	IE	Agent	Anodyne	 
COc1ccc(CN2CC[C@H](c3nnc4n3CCN(C(C)=O)CC4)C2)c(Cl)c1OC	ZINC000257196448	IE	Agent	Anodyne	 
COc1ccc(CN2CC[C@@H](c3nnc4n3CCN(C(C)=O)CC4)C2)c(Cl)c1OC	ZINC000257196449	IE	Agent	Anodyne	 
O=C(NC[C@]1(N2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1)C1CCOCC1	ZINC000257196458	IE	Agent	Anodyne	 
O=C(NC[C@@]1(N2CCN(Cc3c(F)cccc3Cl)CC2)CCOC1)C1CCOCC1	ZINC000257196459	IE	Agent	Anodyne	 
O=C(NC1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1)c1cccs1	ZINC000257196572	IE	Agent	Anodyne	 
O=C(NC1CCCCC1)N1CCN(C(=O)N2C[C@H]3C[C@H](C2)[C@H]2CCCC(=O)N2C3)CC1	ZINC000257196719	IE	Agent	Anodyne	 
Cc1ccc(C(=O)N2CCN(C(=O)N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)CC2)s1	ZINC000257196737	IE	Agent	Anodyne	 
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccncc1)[C@@H]23)N1CCOCC1	ZINC000257197229	IE	Agent	Anodyne	 
CC(C)Oc1cccc(CN2CC[C@@]3(CNC(=O)N3c3ccccc3B(O)O)C[C@H]2C)c1	ZINC000261509121	IE	Agent	Reactive	 
Nc1nonc1N=NN(CC(=O)NC(c1ccccc1)c1ccccc1)c1nonc1N	ZINC000263625614	IE	Agent	Clean	 
CCOC(=O)C=c1sc(=Cc2ccsc2)c(=O)n1CC(=O)N[C@@H](C)c1ccccc1	ZINC000263630831	IE	Agent	Anodyne	 
O=C1CSC(=S)N1/N=C(/S)SS/C(S)=N\N1C(=O)CSC1=S	ZINC000003152907	IE	Agent	Reactive	
CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C=C([N+](=O)[O-])c3cccnc3C2=O)cc1	ZINC000003178433	IE	Agent	Mild	 
CC(C)N(C(=O)NC(=O)C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)S(C)(=O)=O	ZINC000003179413	IE	Agent	Anodyne	 
CCOC(=O)/C(=N/[C@@H]1CCS(=O)(=O)C1)NNc1cc(C(F)(F)F)ccc1Cl	ZINC000003179801	IE	Agent	Mild	 
COc1ccc(CN2C(=O)/C(=C\NNc3nc(C)cc(=O)[nH]3)c3ccccc3C2=O)cc1	ZINC000003223460	IE	Agent	Anodyne	 
CC(=O)Nc1ccc(/C=C(/C(=O)O)c2ccc(S(=O)(=O)N3CCOCC3)s2)cc1	ZINC000003236067	IE	Agent	Anodyne	 
O=[N+]([O-])c1cc2c(cc1/C=N/NS(=O)(=O)c1ccc(Br)cc1)OCO2	ZINC000003252119	IE	Agent	Mild	 
CCO/C=C1/C(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)c2ccccc21	ZINC000003270603	IE	Agent	Anodyne	 
O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1OC(F)F	ZINC000003278686	IE	Agent	Anodyne	 
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c1C	ZINC000003285970	IE	Agent	Anodyne	 
Cn1cnnc1Sc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	ZINC000003297888	IE	Agent	Reactive	 
Cn1cnnc1Sc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	ZINC000003297894	IE	Agent	Reactive	 
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)/C=C/c2ccc(O)c(OC)c2)c1	ZINC000003319283	IE	Agent	Anodyne	 
O=C(COC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F)Nc1ccc(F)c([N+](=O)[O-])c1	ZINC000003321456	IE	Agent	Mild	 
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	ZINC000003359940	IE	Agent	Reactive	 
Cc1cc(C)n2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCCCN4)cc3)nc2n1	ZINC000003360226	IE	Agent	Mild	 
O=C(/C=C/c1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000003376452	IE	Agent	Anodyne	 
CCN(C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1	ZINC000003397874	IE	Agent	Anodyne	 
CCN(C(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1	ZINC000003397878	IE	Agent	Anodyne	 
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(-n3cnnn3)cc2)cc1	ZINC000003417632	IE	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1C	ZINC000003429415	IE	Agent	Anodyne	 
CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNS(=O)(=O)/C=C/c1ccccc1	ZINC000003430297	IE	Agent	Mild	 
CCCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000003431036	IE	Agent	Anodyne	 
CCCN(C(=O)/C=C/c1ccc(S(=O)(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000003431038	IE	Agent	Anodyne	 
COc1ccc(/C=C/C(=O)N(C)Cc2cccs2)cc1S(=O)(=O)N1CCOCC1	ZINC000003432899	IE	Agent	Anodyne	 
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(CNC(C)=O)o3)nnc12	ZINC000003444851	IE	Agent	Mild	 
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	ZINC000003455503	IE	Agent	Bother	 
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)NC3CCCC3)nnc12	ZINC000003516441	IE	Agent	Mild	 
COc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1S(=O)(=O)N1CCOCC1	ZINC000003517603	IE	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)NC(N)=O)nnc23)cc1	ZINC000003522696	IE	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)NC(N)=O)nnc23)cc1	ZINC000003522697	IE	Agent	Anodyne	 
CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc(NC(=O)c3ccc(OC)cc3)c(=O)n1C2	ZINC000004236283	IE	Agent	Anodyne	 
O=C(COC(=O)/C=C\c1ccc(Br)o1)NC(=O)[C@@H]1COc2ccccc2O1	ZINC000004462034	IE	Agent	Anodyne	 
CC(C)c1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1	ZINC000004467708	IE	Agent	Mild	 
CCNC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)/C=C\c2ccccc2)c1	ZINC000004522084	IE	Agent	Anodyne	 
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1cccs1	ZINC000000631715	IE	Agent	Anodyne	 
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1cccs1	ZINC000000631716	IE	Agent	Anodyne	 
COc1cc(OC)c2c(C)c(CC(=O)N[C@H](C)CC3=c4ccccc4=NC3)c(=O)oc2c1	ZINC000504240423	IE	Agent	Anodyne	
COc1ccc(/C=C/C(=O)OCc2c(C)noc2C)cc1S(=O)(=O)N1CCOCC1	ZINC000006191408	IE	Agent	Anodyne	 
COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1	ZINC000006578154	IE	Agent	Anodyne	 
CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCN3CCCC[C@@H]3C)c(=O)c2c1	ZINC000008602314	IE	Agent	Anodyne	 
COc1ccc(CCNC(=O)Cn2nc(C)n3c(cc4cc(F)ccc43)c2=O)cc1OC	ZINC000008605055	IE	Agent	Anodyne	 
COCCCn1c(=NC(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21	ZINC000008617864	IE	Agent	Anodyne	 
CCOC(=O)CC[C@@H]1C(=O)[C@](C)(C(=O)OCC)CC[C@@H]1C(C(=O)OCC)C(=O)OCC	ZINC000008637039	IE	Agent	Anodyne	 
O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000008691230	IE	Agent	Anodyne	 
Nc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)s1	ZINC000008824683	IE	Agent	Mild	 
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1	ZINC000008877325	IE	Agent	Reactive	 
Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000008940327	IE	Agent	Anodyne	 
Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000008940332	IE	Agent	Anodyne	 
CCOC(=O)/C(=N\[C@H]1CCS(=O)(=O)C1)NNc1cc(C(F)(F)F)ccc1Cl	ZINC000009090381	IE	Agent	Mild	 
COc1ccc(OC)c(NC(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)c1	ZINC000009120468	IE	Agent	Anodyne	 
COc1ccc(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccc(C)cc2)cc1OC	ZINC000009120570	IE	Agent	Anodyne	 
COc1ccc(Br)cc1/C=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000009138502	IE	Agent	Mild	 
CN(C)c1ccc(/C=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	ZINC000009140342	IE	Agent	Mild	 
CCN(CC(=O)Nc1ccccc1OC)C(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1	ZINC000009223948	IE	Agent	Anodyne	 
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1cc(OC)c(OC)c(OC)c1	ZINC000009226530	IE	Agent	Anodyne	 
CN(C(=O)/C=C/c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009255348	IE	Agent	Anodyne	 
COc1ccc(OC)c(CNCc2cccn2-c2nnc(N3CCN(C)CC3)s2)c1	ZINC000009265783	IE	Agent	Anodyne	 
C[C@]1(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)CC1(Cl)Cl	ZINC000009284289	IE	Agent	Mild	 
C[C@@]1(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3)c2)CC1(Cl)Cl	ZINC000009284290	IE	Agent	Mild	 
Cc1noc(C)c1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	ZINC000009284440	IE	Agent	Mild	 
O=C(CCCSC1=NN/C(=C2\C=c3ccccc3=N2)N1c1ccccc1)N1CCOCC1	ZINC000009339161	IE	Agent	Anodyne	 
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(=O)Cc3ccccc3)nnc12	ZINC000009367979	IE	Agent	Mild	 
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000009373130	IE	Agent	Anodyne	 
CCOC(=O)/C=C1\SCC(=O)N1CCn1nnc(-c2cccc(C(F)(F)F)c2)n1	ZINC000009377394	IE	Agent	Anodyne	 
O=C1CSc2ccc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)cc2N1	ZINC000009384523	IE	Agent	Anodyne	 
CCn1c(=O)c(C(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c(N)n(Cc2ccccc2)c1=O	ZINC000009397545	IE	Agent	Reactive	 
COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1O	ZINC000009402835	IE	Agent	Anodyne	 
N#C/C=c1\s/c(=C\c2cccc([N+](=O)[O-])c2)c(=O)n1CC(=O)c1ccc(Cl)cc1	ZINC000009440219	IE	Agent	Mild	 
O=C(NC[C@@H]1CCCO1)C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCCO1	ZINC000009441291	IE	Agent	Bother	 
O=C(NC[C@H]1CCCO1)C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCCO1	ZINC000009441303	IE	Agent	Bother	 
N#Cc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000009466113	IE	Agent	Mild	 
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000009467072	IE	Agent	Anodyne	 
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000009467075	IE	Agent	Anodyne	 
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)CC1	ZINC000009467193	IE	Agent	Mild	 
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccc(C)s2)c(=O)[nH]c1=O	ZINC000009487133	IE	Agent	Anodyne	 
CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCc4ccccn4)c3c2)CC1	ZINC000009490876	IE	Agent	Anodyne	 
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009491971	IE	Agent	Clean	 
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000009510964	IE	Agent	Reactive	 
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000009510967	IE	Agent	Reactive	 
O=C(CSc1nnc(C2CC2)o1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000009512352	IE	Agent	Anodyne	 
COc1ccc(C2=NC3(CCN(CC(=O)Nc4cc(F)ccc4F)CC3)NC2=O)cc1	ZINC000009526769	IE	Agent	Anodyne	 
O=C(COC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F)Nc1cc([N+](=O)[O-])ccc1F	ZINC000009539676	IE	Agent	Mild	 
O=S1(=O)CCC(=NNS(=O)(=O)c2ccc(Br)cc2)c2ccccc21	ZINC000009540267	IE	Agent	Anodyne	 
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C	ZINC000009544645	IE	Agent	Anodyne	 
C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1	ZINC000009562837	IE	Agent	Reactive	 
CCCNC(=O)NC(=O)COC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1	ZINC000009582577	IE	Agent	Anodyne	 
COC(=O)c1sc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C(=O)OC)c1C	ZINC000009586763	IE	Agent	Anodyne	 
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1	ZINC000009591272	IE	Agent	Anodyne	 
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1	ZINC000009591277	IE	Agent	Anodyne	 
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)/C=C/c1ccccc1	ZINC000009612387	IE	Agent	Anodyne	 
COCCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1=O	ZINC000009612956	IE	Agent	Mild	 
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000009613047	IE	Agent	Reactive	 
COc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N4CCCC4=O)nnc23)cc1	ZINC000009616087	IE	Agent	Anodyne	 
O=C(CSc1nnc2n1CCCCC2)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1	ZINC000009619477	IE	Agent	Mild	 
CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NCCc1ccc(OCC)c(OCC)c1	ZINC000009631024	IE	Agent	Anodyne	 
Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)c(C)c1[N+](=O)[O-]	ZINC000009631162	IE	Agent	Mild	 
CCN(C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000009633739	IE	Agent	Anodyne	 
CCN(C(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000009633740	IE	Agent	Anodyne	 
COCCCN(C(=O)/C=C/c1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009671213	IE	Agent	Anodyne	 
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=N\Nc1ccc(C(=O)O)cc1[N+](=O)[O-]	ZINC000009704535	IE	Agent	Mild	 
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C(=C/c1ccccc1)n1nnnc1C	ZINC000009722007	IE	Agent	Anodyne	 
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2ccsc2)c(=O)[nH]c1=O	ZINC000009764958	IE	Agent	Anodyne	 
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1	ZINC000009797684	IE	Agent	Anodyne	 
O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC[C@@H]1CCCO1	ZINC000009831246	IE	Agent	Anodyne	 
O=C(CCc1nnc2n(Cc3ccccc3)c(=O)c3ccccc3n12)NC[C@H]1CCCO1	ZINC000009831247	IE	Agent	Anodyne	 
O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC[C@@H]1CCCO1	ZINC000009831313	IE	Agent	Anodyne	 
O=C(CCc1nnc2n(Cc3ccc(F)cc3)c(=O)c3ccccc3n12)NC[C@H]1CCCO1	ZINC000009831314	IE	Agent	Anodyne	 
CCCCN(C(=O)COC(=O)/C=C/c1ccc(F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000009884025	IE	Agent	Anodyne	 
Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	ZINC000009884244	IE	Agent	Anodyne	 
CCCCCN(C(=O)COC(=O)/C=C/c1ccco1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000009884699	IE	Agent	Anodyne	 
COc1cc(CNC(=O)CN(C)S(=O)(=O)/C=C/c2ccccc2)cc(OC)c1OC	ZINC000009888053	IE	Agent	Anodyne	 
O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)NNC(=O)c1ccccc1	ZINC000009963282	IE	Agent	Reactive	 
COc1cccc(CNC(=O)Cn2nc(C)n3c(cc4c(OC)cccc43)c2=O)c1OC	ZINC000009971728	IE	Agent	Anodyne	 
Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1	ZINC000096448537	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)ccc1O	ZINC000096466812	IE	Agent	Anodyne	 
CCCCN(C(=O)COC(=O)/C=C\c1ccc(F)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O	ZINC000096467263	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000096468077	IE	Agent	Anodyne	 
COc1cccc(/C=C(\C(=O)OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c2ccccc2)c1	ZINC000096481966	IE	Agent	Anodyne	 
COc1cccc(/C=C(\C(=O)OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c2ccccc2)c1	ZINC000096481968	IE	Agent	Anodyne	 
C[C@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)NC(=O)NC1CCCCC1	ZINC000096482118	IE	Agent	Mild	 
C[C@@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)NC(=O)NC1CCCCC1	ZINC000096482119	IE	Agent	Mild	 
O=C(COC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)Nc1ccc2c(c1)OCCO2	ZINC000096482186	IE	Agent	Mild	 
C[C@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000096482190	IE	Agent	Mild	 
C[C@@H](OC(=O)C1CCN(/C=C\C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000096482191	IE	Agent	Mild	 
CCCCCN(C(=O)COC(=O)/C=C\c1ccco1)c1c(N)n(CCCC)c(=O)[nH]c1=O	ZINC000096488088	IE	Agent	Anodyne	 
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)c1C	ZINC000096491611	IE	Agent	Reactive	 
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)/C=C\c2ccccc2)c1C	ZINC000096499487	IE	Agent	Anodyne	 
COc1ccc(/C=C\C(=O)N[C@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1	ZINC000096504041	IE	Agent	Anodyne	 
COc1ccc(/C=C\C(=O)N[C@@H](C(=O)OCn2nnc3ccccc3c2=O)C(C)C)cc1	ZINC000096504042	IE	Agent	Anodyne	 
O=C(/C=C\c1nc2ccccc2s1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000096506545	IE	Agent	Anodyne	 
C/C=C\c1ccc(OCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(OC)c1	ZINC000096506631	IE	Agent	Anodyne	 
COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cccc3nsnc23)cc1	ZINC000096506712	IE	Agent	Anodyne	 
COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)Nc2cccc3nsnc23)cc1	ZINC000096506713	IE	Agent	Anodyne	 
O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096533326	IE	Agent	Anodyne	 
CN(CC(=O)N1CCN(C/C=C\c2ccccc2)CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000096536622	IE	Agent	Anodyne	 
O=C(CCNS(=O)(=O)c1ccccc1F)N1CCN(C/C=C\c2ccccc2)CC1	ZINC000096536704	IE	Agent	Anodyne	 
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C\c2ccc(F)cc2)c(=O)[nH]c1=O	ZINC000096577951	IE	Agent	Anodyne	 
Nc1c(N(C[C@@H]2CCCO2)C(=O)/C=C\c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000096579118	IE	Agent	Anodyne	 
Nc1c(N(C[C@H]2CCCO2)C(=O)/C=C\c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000096579119	IE	Agent	Anodyne	 
CN(C(=O)/C=C\c1ccc2ccccc2n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000096579172	IE	Agent	Anodyne	 
O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CCN(C[C@@H]2CCCO2)CC1	ZINC000096585487	IE	Agent	Anodyne	 
O=C(C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)N1CCN(C[C@H]2CCCO2)CC1	ZINC000096585488	IE	Agent	Anodyne	 
O=C(Cn1cncn1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O	ZINC000096595906	IE	Agent	Anodyne	 
CC(=O)c1ccc(N2CCN(C(=O)CNS(=O)(=O)/C=C\c3ccc(C)cc3)CC2)cc1	ZINC000096601726	IE	Agent	Anodyne	 
CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)/C=C\c1c(C)nn(C)c1C	ZINC000096610861	IE	Agent	Anodyne	 
CCN(C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000096619999	IE	Agent	Anodyne	 
CCN(C(=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000096620000	IE	Agent	Anodyne	 
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)/C(=C\c1ccccc1)n1nnnc1C	ZINC000096620043	IE	Agent	Anodyne	 
COc1ccccc1NCC(=O)NN/C=C1\C(=O)N(c2ccccn2)C(=O)c2ccccc21	ZINC000096634888	IE	Agent	Reactive	 
CCOc1cc(/C=C\C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC(F)F	ZINC000096646063	IE	Agent	Reactive	 
C[C@@H]1CCCC[C@]12NC(=O)N(CN1CCN(S(=O)(=O)/C=C\c3ccccc3)CC1)C2=O	ZINC000096658673	IE	Agent	Anodyne	 
CN1C(=O)N(CN2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C(=O)C12CCCCC2	ZINC000096658681	IE	Agent	Anodyne	 
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1	ZINC000096663374	IE	Agent	Reactive	 
O=S(=O)(/C=C\c1ccccc1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1	ZINC000096715710	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)c1OC	ZINC000096742806	IE	Agent	Anodyne	 
O=C(CN1CCN(C/C=C\c2ccccc2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2	ZINC000096781146	IE	Agent	Anodyne	 
CCn1c(=O)c(C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c(N)n(Cc2ccccc2)c1=O	ZINC000096792521	IE	Agent	Reactive	 
Cc1nn(C)c(C)c1/C=C\C(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1	ZINC000096828885	IE	Agent	Anodyne	 
O=c1c(Cl)c(Cl)cnn1CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096831414	IE	Agent	Anodyne	 
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)CC1	ZINC000096841582	IE	Agent	Mild	 
O=C(/C=C\c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000096841848	IE	Agent	Anodyne	 
O=C(/C=C\c1ccc(-n2ccnc2)cc1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000096841851	IE	Agent	Anodyne	 
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C\c2ccc(C)s2)c(=O)[nH]c1=O	ZINC000096842723	IE	Agent	Anodyne	 
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C\c1ccc(-c2ccccc2F)o1	ZINC000096845504	IE	Agent	Anodyne	 
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)/C=C\c1ccc(-c2ccccc2F)o1	ZINC000096845505	IE	Agent	Anodyne	 
CCN(CC(=O)Nc1ccccc1OC)C(=O)CN(C)S(=O)(=O)/C=C\c1ccccc1	ZINC000096851134	IE	Agent	Anodyne	 
Cc1nn(C)c(C)c1/C=C\C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	ZINC000096851541	IE	Agent	Anodyne	 
Cc1c(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2c(O)[nH]c(=O)sc2=O)cnn1C	ZINC000096854191	IE	Agent	Mild	 
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C\c2ccsc2)c(=O)[nH]c1=O	ZINC000096865549	IE	Agent	Anodyne	 
COCCCN(C(=O)/C=C\c1ccsc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000096866183	IE	Agent	Anodyne	 
COc1cc(OC)c(OC)cc1CNC(=O)CNS(=O)(=O)/C=C\c1ccc(C)cc1	ZINC000096872894	IE	Agent	Anodyne	 
Cc1cc(/C=C\C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccco1	ZINC000096876522	IE	Agent	Anodyne	 
Cc1cc(/C=C\C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(C)n1Cc1ccco1	ZINC000096876523	IE	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000096879251	IE	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)N1CCN(CC(=O)NC2CC2)CC1	ZINC000096879254	IE	Agent	Anodyne	 
COc1cc(CNC(=O)CN(C)S(=O)(=O)/C=C\c2ccccc2)cc(OC)c1OC	ZINC000096883299	IE	Agent	Anodyne	 
O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000096883333	IE	Agent	Clean	 
O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000096883335	IE	Agent	Clean	 
O=C(NCC(=O)N1CCN(C/C=C\c2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1	ZINC000096891748	IE	Agent	Anodyne	 
O=C(CSc1nnc(C2CC2)o1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096892617	IE	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C\c2c(F)cccc2Cl)cc1	ZINC000096904475	IE	Agent	Reactive	 
Cn1cccc1[C@@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096908326	IE	Agent	Anodyne	 
Cn1cccc1[C@H]1CCCN1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096908327	IE	Agent	Anodyne	 
O=C(c1cc(S(=O)(=O)N2CCCC2)c[nH]1)N1CCN(C/C=C\c2ccccc2)CC1	ZINC000096911740	IE	Agent	Anodyne	 
COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C\c1cn(Cc2ccccc2)nn1	ZINC000096911891	IE	Agent	Anodyne	 
O=C(/C=C\c1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000096911958	IE	Agent	Anodyne	 
O=C(/C=C\c1cnn(-c2ccccc2)c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000096911959	IE	Agent	Anodyne	 
O=C(CN1CCN(C(=O)/C=C\c2cn(Cc3ccccc3)nn2)CC1)Nc1ccc(F)cc1	ZINC000096912000	IE	Agent	Anodyne	 
CCN1CCN(S(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2OC)CC1	ZINC000096915617	IE	Agent	Anodyne	 
CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)[C@@]12CCC(=O)N1c1ccccc1S2	ZINC000096917255	IE	Agent	Anodyne	 
CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)[C@]12CCC(=O)N1c1ccccc1S2	ZINC000096917258	IE	Agent	Anodyne	 
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)CC1	ZINC000096920374	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1OC	ZINC000096920463	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1OC	ZINC000096920464	IE	Agent	Anodyne	 
O=C1C(=O)N(CN2CCN(C/C=C\c3ccccc3)CC2)C(=O)N1CCc1cccs1	ZINC000096920763	IE	Agent	Anodyne	 
O=C1CC2(CCCCC2)C(=O)N1CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096920769	IE	Agent	Anodyne	 
N#Cc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096924815	IE	Agent	Mild	 
CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)cc1	ZINC000096925606	IE	Agent	Anodyne	 
O=C1COc2ccc(C(=O)OCC(=O)N3CCN(C/C=C\c4ccccc4)CC3)cc2N1	ZINC000096931139	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c1OC	ZINC000096931286	IE	Agent	Anodyne	 
CS(=O)(=O)CC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC1CCCCCC1	ZINC000096936530	IE	Agent	Anodyne	 
CS(=O)(=O)CC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NC1CCCCCC1	ZINC000096936531	IE	Agent	Anodyne	 
Cc1nn(C)c(Cl)c1/C=C\C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	ZINC000096936656	IE	Agent	Clean	 
Cc1nc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cs1	ZINC000096936692	IE	Agent	Anodyne	 
O=c1ccc(Br)cn1CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096991135	IE	Agent	Anodyne	 
C/C=C\c1ccc(OC[C@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(OC)c1	ZINC000096991149	IE	Agent	Anodyne	 
C/C=C\c1ccc(OC[C@@H](O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(OC)c1	ZINC000096991150	IE	Agent	Anodyne	 
O=C(/C=C\c1cccnc1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000096991465	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c1OC	ZINC000096993899	IE	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O)cc(S(=O)(=O)Nc2ccccc2-n2cncn2)c1OC	ZINC000097002983	IE	Agent	Anodyne	 
O=C(/C=C\c1ccc(Br)o1)N1CCN(c2nnnn2-c2ccccc2)CC1	ZINC000097079638	IE	Agent	Anodyne	 
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3C2)c(=O)[nH]1	ZINC000097973799	IE	Agent	Anodyne	 
CC(C)C(=O)Nc1nc2c(ncn2[C@@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@H]3C2)c(=O)[nH]1	ZINC000097973801	IE	Agent	Anodyne	 
C[C@H](NC(=O)CI)Nc1cccc2cccc(S(=O)(=O)O)c12	ZINC000097975089	IE	Agent	Unstable	 
C[C@@H](NC(=O)CI)Nc1cccc2cccc(S(=O)(=O)O)c12	ZINC000097975090	IE	Agent	Unstable	 
CCCNC(=O)Cn1c(=O)/c(=C/c2c(F)cccc2Cl)s/c1=C\C(=O)C(C)(C)C	ZINC000097993970	IE	Agent	Anodyne	 
CCOC(=O)/C=C1/SCC(=O)N1CCOC(=O)c1c(NC(C)=O)sc(C)c1C	ZINC000097998040	IE	Agent	Anodyne	 
C/C(=N/OCC(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2	ZINC000097998278	IE	Agent	Mild	 
COc1ccc(/C=C\C(=O)N[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)C(C)C)cc1	ZINC000098008876	IE	Agent	Mild	 
COc1ccc(/C=C\C(=O)N[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C(C)C)cc1	ZINC000098008877	IE	Agent	Mild	 
CCN(C(=O)COC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000098053294	IE	Agent	Anodyne	 
CCN(C(=O)COC(=O)/C=C\c1ccc(OC(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1	ZINC000098053295	IE	Agent	Anodyne	 
COc1ccc(Br)cc1/C=C\C(=O)NS(=O)(=O)c1ccc(C(N)=O)cc1	ZINC000098054828	IE	Agent	Anodyne	 
CCNS(=O)(=O)c1ccc(/C=C\C(=O)N(CC)C2CN(C(=O)OC(C)(C)C)C2)cc1	ZINC000098059435	IE	Agent	Anodyne