COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)n2)c1	ZINC000001009255	JK	Agent	Anodyne	 
CCOC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)[C@H]1CC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000001044713	JK	Agent	Anodyne	 
COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	ZINC000001064000	JK	Agent	Clean	 
COC(=O)[C@@]1(C#N)[C@@H](c2ccc(C)cc2C)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21	ZINC000001106673	JK	Agent	Mild	 
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1cccc(Br)c1	ZINC000001203940	JK	Agent	Clean	 
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000001255677	JK	Agent	Clean	 
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000001255801	JK	Agent	Clean	 
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1=O	ZINC000001452144	JK	Agent	Clean	 
COc1ccc([C@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)c(OC)c1	ZINC000010024144	JK	Agent	Anodyne	 
COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)c(OC)c1	ZINC000010024150	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000010027325	JK	Agent	Anodyne	 
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)c3cccc(Cl)c3)nnc12	ZINC000010058373	JK	Agent	Anodyne	 
CC(C)CCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)c3cccc(Cl)c3)nnc12	ZINC000010058374	JK	Agent	Anodyne	 
CCN(C(=O)CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12)c1cccc2ccccc12	ZINC000010058656	JK	Agent	Anodyne	 
COc1cccc(-c2nc(CSc3nnc4n(CCC(C)C)c(=O)c5ccccc5n34)cs2)c1	ZINC000010058734	JK	Agent	Anodyne	 
CCOC(=O)/C(=C\c1cccc(OCc2ccccc2)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1	ZINC000010218573	JK	Agent	Anodyne	 
CC(C)(C)c1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(C(C)(C)C)c1O	ZINC000100073467	JK	Agent	Mild	 
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc2ccccc12	ZINC000100147775	JK	Agent	Clean	 
CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccccc3F)N(C3CCCCC3)C2=O)c(OC)c1	ZINC000100188363	JK	Agent	Mild	 
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1	ZINC000100439682	JK	Agent	Mild	 
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1	ZINC000100439689	JK	Agent	Mild	 
C/C(=N/c1cc(Cl)ccc1O)c1c(C(F)(F)F)nn(-c2nc3ccccc3s2)c1O	ZINC000103110310	JK	Agent	Mild	
N=C(O/N=C(\N)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103534656	JK	Agent	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(-c2ccccc2)no1	ZINC000103534662	JK	Agent	Mild	
O=C(O[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	ZINC000103550826	JK	Agent	Reactive	
CC1(C)CC(=O)C(=CNc2ccc(Cc3ccc(NC=C4C(=O)CC(C)(C)CC4=O)cc3)cc2)C(=O)C1	ZINC000103560202	JK	Agent	Mild	
CCOc1ccc(CCN/C(C)=C/c2nsc(Nc3ccc(Cl)cc3Cl)n2)cc1OCC	ZINC000103573532	JK	Agent	Anodyne	
CCCCCCCCCCCCCc1nc(-c2ccccc2)nc(N(CCC#N)CCC#N)n1	ZINC000103600227	JK	Agent	Mild	
CCCCCCCCCCCCSc1nc(NCc2ccco2)nc(NCc2ccco2)n1	ZINC000103600310	JK	Agent	Mild	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)COc1ccc(Cl)cc1Cl	ZINC000103604321	JK	Agent	Reactive	
COc1ccc(C)cc1-n1c(-c2ccc(Br)cc2)cs/c1=N/C[C@@H]1CCCO1	ZINC000103606482	JK	Agent	Anodyne	
COc1ccc(C)cc1-n1c(-c2ccc(Br)cc2)cs/c1=N/C[C@H]1CCCO1	ZINC000103606486	JK	Agent	Anodyne	
CC(C)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)cc1	ZINC000103614210	JK	Agent	Anodyne	
CC(C)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)cc1	ZINC000103614213	JK	Agent	Anodyne	
Fc1cccc(NC(=S)NC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)c1	ZINC000103616027	JK	Agent	Mild	
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccc(Br)cc1	ZINC000103628147	JK	Agent	Reactive	
Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCc3nc(-c4cccs4)oc3C)nnc12	ZINC000010550725	JK	Agent	Anodyne	 
COc1cc(Cl)c(NC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC	ZINC000010591939	JK	Agent	Anodyne	 
C=CCOc1c(Br)cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1OC	ZINC000011332865	JK	Agent	Mild	 
CCOc1cc(/C=C/C(=O)c2ccc(F)c(Br)c2)cc(Cl)c1OCC(=O)N(C)C	ZINC000011335445	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(F)c(Br)c2)cs1)c1ccc(F)cc1F	ZINC000011335492	JK	Agent	Mild	 
O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccccc1SCc1cccs1	ZINC000011495272	JK	Agent	Anodyne	 
Nc1ccc(-n2nnc(S(=O)(=O)c3cc(Cl)ccc3Cl)c2-c2ccc(Cl)cc2)cc1	ZINC000011730800	JK	Agent	Clean	 
Nc1ccc(-n2nnc(S(=O)(=O)c3ccc(Cl)cc3Cl)c2-c2ccc(Cl)cc2)cc1	ZINC000011730806	JK	Agent	Clean	 
CC(C)c1ccc(S(=O)(=O)c2nnn(-c3ccc(N)cc3)c2-c2ccc(Cl)cc2)cc1	ZINC000011730812	JK	Agent	Clean	 
CC(C)c1ccc(S(=O)(=O)c2nnn(-c3ccc(C(=O)O)cc3)c2-c2ccc(Cl)cc2)cc1	ZINC000011760201	JK	Agent	Anodyne	 
CC(C)c1ccc(S(=O)(=O)c2nnn(-c3cccc(C(=O)O)c3)c2-c2ccc(Cl)cc2)cc1	ZINC000011760214	JK	Agent	Anodyne	 
CC(=O)O[C@H]1C=C2C[C@H](SC(C)=O)[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	ZINC000118914495	JK	Agent	Anodyne	
CC(=O)O[C@@H]1C=C2C[C@H](SC(C)=O)[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1	ZINC000118914497	JK	Agent	Anodyne	
Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3C2=O)cc1	ZINC000012040693	JK	Agent	Mild	 
O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1ccc(Cl)cc1Cl	ZINC000012285359	JK	Agent	Mild	 
Cc1c(/N=C/c2cc(Br)cc(Br)c2O)cccc1-c1nc2ccccc2o1	ZINC000012285366	JK	Agent	Mild	 
Cc1cccc(OCCCn2cc(/C=c3\sc4nc5ccccc5n4c3=O)c3ccccc32)c1C	ZINC000012285407	JK	Agent	Anodyne	 
C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(C(C)(C)C)cc3)c2)SC1=S	ZINC000012285416	JK	Agent	Mild	 
Cc1cc2nc(-c3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3O)oc2cc1C	ZINC000012285427	JK	Agent	Mild	 
Clc1ccc(/C=C2\CCc3cnn(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)c32)cc1	ZINC000012311211	JK	Agent	Anodyne	 
Brc1ccccc1/C=C(\c1nc(-c2ccccc2)cs1)c1nnc2n1CCCCC2	ZINC000012311251	JK	Agent	Anodyne	 
COc1ccc(-n2c(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)nc3ccccc32)cc1	ZINC000012311398	JK	Agent	Mild	 
O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ncc(Cl)cc1Cl	ZINC000012311528	JK	Agent	Anodyne	 
CC(=O)Nc1cccc(/C(C)=N/n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\Cc2ccccc2)c1	ZINC000012311768	JK	Agent	Mild	 
CCOC(=O)c1c(N2C(=O)/C(=C/Nc3ccccc3C)c3ccccc3C2=O)sc2c1CCCC2	ZINC000012311958	JK	Agent	Anodyne	 
CCOc1ccc(N2C(=O)/C(=C/Nc3cc(Cl)cc(Cl)c3)c3ccccc3C2=O)cc1	ZINC000012311962	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)cc3Cl)c3ccccc3C2=O)cc1	ZINC000012311968	JK	Agent	Anodyne	 
CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(Br)cc3)c3ccccc3C2=O)cc1	ZINC000012311970	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3cc(Cl)cc(Cl)c3)c3ccccc3C2=O)cc1	ZINC000012311978	JK	Agent	Anodyne	 
O=C(OCC(=O)N1CCc2ccccc21)C(=O)/C(=C/c1ccc(Cl)cc1)c1ccc2ccccc2n1	ZINC000012312203	JK	Agent	Mild	 
COc1ccc(CN2C(=O)/C(=C/Nc3ccc(SC(F)F)cc3)c3ccccc3C2=O)cc1	ZINC000012312244	JK	Agent	Anodyne	 
O=C1/C(=C/Nc2ccc(Br)cc2)c2ccccc2C(=O)N1c1cccc(Cl)c1	ZINC000012312270	JK	Agent	Anodyne	 
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	ZINC000012345685	JK	Agent	Clean	 
O=C(Nc1cccc(Cl)c1)c1cc(=O)n(CCc2ccccc2)c(=NCCc2ccccc2)s1	ZINC000012376233	JK	Agent	Anodyne	 
COc1ccc(/N=C2/S[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(OC)cc2)cc1	ZINC000012378228	JK	Agent	Mild	 
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1ccn(Cc2cccc(Br)c2)n1	ZINC000012401710	JK	Agent	Reactive	 
CCN1/C(=C2\SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccc(Cl)cc21	ZINC000012412095	JK	Agent	Clean	 
COc1c(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(C(C)(C)C)cc1C(C)(C)C	ZINC000012412707	JK	Agent	Clean	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OC(=O)c1ccccc1Br	ZINC000012412791	JK	Agent	Clean	
CCCC/N=C(/c1ccccc1)c1sc2nc(C)cc(COC)c2c1NC(=O)c1ccccc1	ZINC000012419341	JK	Agent	Mild	 
COc1ccc(-c2nc3ccccc3c(=O)n2/N=C\c2ccccc2OC(=O)c2cccc(C)c2)cc1	ZINC000012469176	JK	Agent	Mild	 
CC(C)c1nc2ccccc2c(=O)n1/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	ZINC000012469494	JK	Agent	Mild	 
CCOc1cc(/C=N/n2c(C)nc3ccccc3c2=O)ccc1OC(=O)/C=C/c1ccc(Cl)cc1	ZINC000012469541	JK	Agent	Mild	 
O=C(CN1C(=O)CS/C1=C\c1nc(-c2ccc(Cl)cc2)cs1)Nc1cccnc1Cl	ZINC000012484647	JK	Agent	Anodyne	 
COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccccc1OCc1csc(C)n1	ZINC000012484878	JK	Agent	Anodyne	 
COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1ccc(OCc2csc(C)n2)cc1	ZINC000012484882	JK	Agent	Anodyne	 
C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)\c1nc2c(ccc3ccccc32)s1	ZINC000012487468	JK	Agent	Anodyne	 
C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)C(F)(F)F)[C@H](c3ccc(Cl)cc3)[C@H]2C1	ZINC000012488204	JK	Agent	Anodyne	 
Clc1cc(Cl)c2o/c(=N/c3ccc(-c4ccccc4)cc3)c(-c3nc4ccccc4[nH]3)cc2c1	ZINC000012491988	JK	Agent	Anodyne	 
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc2ccccc2c1	ZINC000012492842	JK	Agent	Reactive	 
O=[N+]([O-])c1ccc2o/c(=N/c3cccc(Br)c3)c(-c3nc4ccccc4[nH]3)cc2c1	ZINC000012493106	JK	Agent	Bother	 
O=C(Nc1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000012494096	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000012494115	JK	Agent	Anodyne	 
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3nc(-c4cccs4)cs3)cc2)cc1	ZINC000012495592	JK	Agent	Reactive	 
C[C@@H]1Cc2ccccc2N1C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1	ZINC000012497256	JK	Agent	Anodyne	 
C[C@H]1Cc2ccccc2N1C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1	ZINC000012497267	JK	Agent	Anodyne	 
O=C(/C=C/c1cccs1)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000012499038	JK	Agent	Anodyne	 
Brc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21	ZINC000012500596	JK	Agent	Anodyne	 
Brc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21	ZINC000012500601	JK	Agent	Anodyne	 
Brc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN12	ZINC000012500605	JK	Agent	Anodyne	 
Brc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21	ZINC000012500609	JK	Agent	Anodyne	 
CC(=O)c1sc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)nc1C	ZINC000012500708	JK	Agent	Anodyne	 
CC(=O)c1sc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)nc1C	ZINC000012500716	JK	Agent	Anodyne	 
COc1cc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc(Br)c1O	ZINC000012506905	JK	Agent	Anodyne	 
CN(C)c1ccc(/C=C2\SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1	ZINC000012512562	JK	Agent	Clean	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCC[C@@H]2c2cccnc2)cc1OC	ZINC000012521733	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCC[C@H]2c2cccnc2)cc1OC	ZINC000012521734	JK	Agent	Anodyne	 
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)cc1	ZINC000012523533	JK	Agent	Clean	 
CCN(CC)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)cc1	ZINC000012523984	JK	Agent	Clean	 
CCn1c2ccccc2c2cc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4s3)ccc21	ZINC000012524227	JK	Agent	Mild	 
CN1/C(=C\C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)C(C)(C)c2ccccc21	ZINC000012524300	JK	Agent	Anodyne	 
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=N)NC3=O)ccc21	ZINC000012524341	JK	Agent	Anodyne	 
N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1cccs1)CC/C2=C/c1cccs1	ZINC000012524578	JK	Agent	Mild	 
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1	ZINC000012524592	JK	Agent	Reactive	 
CCC(C)(C)C[C@@H](C)CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1	ZINC000012524632	JK	Agent	Mild	 
CCC(C)(C)C[C@H](C)CCSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C/c1cccs1	ZINC000012524633	JK	Agent	Mild	 
COc1ccc(-c2cn3c(C(=S)Nc4ccccc4)c(-c4ccccc4)c4c3n2CCCC4)cc1	ZINC000012524716	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)c(C)n1-c1ccc(Br)cc1	ZINC000012524756	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)c(C)n1-c1ccc(Br)cc1	ZINC000012524757	JK	Agent	Reactive	 
N#Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C/c2cccs2)cc1	ZINC000012524762	JK	Agent	Mild	 
CN1/C(=C(/C#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)Sc2ccccc21	ZINC000012524892	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1-c1ccccc1	ZINC000012525010	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1	ZINC000012526787	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1	ZINC000012526788	JK	Agent	Reactive	 
COc1cccc(-n2c(=O)c3ccccc3n3c(SCc4csc(-c5ccco5)n4)nnc23)c1	ZINC000012527093	JK	Agent	Anodyne	 
Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCCC(=O)N[C@H](C)c4ccccc4)nnc23)c1	ZINC000012528362	JK	Agent	Anodyne	 
Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCCC(=O)N[C@@H](C)c4ccccc4)nnc23)c1	ZINC000012528363	JK	Agent	Anodyne	 
CC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CCC3)cc1	ZINC000012528743	JK	Agent	Anodyne	 
CCOC(=O)c1sc2nc(/C=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c(=O)c2c1C	ZINC000012528760	JK	Agent	Anodyne	 
O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCS/C1=N\CCc1ccccc1	ZINC000012529022	JK	Agent	Mild	 
CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	ZINC000012529042	JK	Agent	Mild	 
Cc1cc(C)c2c(c1)/C(=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)C(O)=N2	ZINC000012529131	JK	Agent	Mild	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1Cl	ZINC000012529189	JK	Agent	Anodyne	 
COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)ccc1OCc1ccc(Cl)cc1	ZINC000012529192	JK	Agent	Anodyne	 
CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000012529206	JK	Agent	Mild	 
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N/N=C/c1ccccc1C(F)(F)F	ZINC000012529227	JK	Agent	Mild	 
Cc1cc(NC(=O)/C=C/c2cccs2)n(-c2nc3ccccc3n2Cc2cccc([N+](=O)[O-])c2)n1	ZINC000012529237	JK	Agent	Bother	 
Cc1sc2nc(/C(=C\c3ccc(Cl)cc3)Sc3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1C	ZINC000012529298	JK	Agent	Anodyne	 
CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1	ZINC000012529562	JK	Agent	Anodyne	 
CC[C@@H]1CS/C(=N/c2cccc(C)c2)N1C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	ZINC000012529586	JK	Agent	Mild	 
CC[C@H]1CS/C(=N/c2cccc(C)c2)N1C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	ZINC000012529588	JK	Agent	Mild	 
O=[N+]([O-])c1ccc(N/N=C/C=C/c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000012530187	JK	Agent	Mild	 
O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2	ZINC000012530605	JK	Agent	Anodyne	 
O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1ccc(OCc2cn3ccccc3n2)cc1	ZINC000012530911	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(Br)o1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000012531292	JK	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(Br)cc3F)cc2)cc1	ZINC000012531776	JK	Agent	Mild	 
CCN1C/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000012532329	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCc3c(C)noc3C)N(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000012532705	JK	Agent	Anodyne	 
COc1cc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2-c2ccccc2F)cc(OC)c1OC	ZINC000012532808	JK	Agent	Bother	 
O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000012532821	JK	Agent	Anodyne	 
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1	ZINC000012533038	JK	Agent	Mild	 
O=C(/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccccc2[nH]1)c1cccc(Cl)c1	ZINC000012533345	JK	Agent	Mild	 
CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)C1CCCCC1	ZINC000012533376	JK	Agent	Anodyne	 
C(=C/c1nc2c(ccc3ccccc32)s1)\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000012533461	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C[C@@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)O	ZINC000012533463	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\C[C@H](C(C)(C)C)Cc2c1nc1ccccc1c2C(=O)O	ZINC000012533464	JK	Agent	Anodyne	 
CCCCn1c(=O)c2ccccc2n2c(SCc3coc(-c4ccc(C)cc4C)n3)nnc12	ZINC000012536710	JK	Agent	Anodyne	 
Cc1ccc[n+](/C(C(=O)c2ccc(OC(F)F)cc2)=C(/S)Nc2cccc3ccccc23)c1	ZINC000012537660	JK	Agent	Mild	 
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	ZINC000012538136	JK	Agent	Reactive	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2)NCC(F)(F)F	ZINC000012539836	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)cc12	ZINC000012540222	JK	Agent	Anodyne	 
COc1ccc(-n2c(=O)c3ccccc3n3c(SCc4csc(-c5ccco5)n4)nnc23)cc1	ZINC000012540557	JK	Agent	Anodyne	 
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1C	ZINC000012542883	JK	Agent	Reactive	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000012542960	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c(C)n1CCC(C)C	ZINC000012542972	JK	Agent	Reactive	 
Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCc3coc(-c4ccc(F)cc4)n3)nnc12	ZINC000012546167	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2	ZINC000012546247	JK	Agent	Anodyne	 
O=C(NCc1ccccc1)/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	ZINC000012546584	JK	Agent	Anodyne	 
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3csc(-c4ccccc4)n3)c2C)cc1	ZINC000012546699	JK	Agent	Reactive	 
CC[C@@H]1CCc2sc(C(=O)OCc3nnc4n(CCC(C)C)c(=O)c5ccccc5n34)cc2C1	ZINC000012546811	JK	Agent	Anodyne	 
CC[C@H]1CCc2sc(C(=O)OCc3nnc4n(CCC(C)C)c(=O)c5ccccc5n34)cc2C1	ZINC000012546812	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccc(SC#N)cc3C)c3ccccc3C2=O)cc1	ZINC000012546841	JK	Agent	Reactive	 
O=[N+]([O-])c1cccc2ccc(/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)nc12	ZINC000012546878	JK	Agent	Bother	 
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(Cl)c4)C(=O)c4ccccc43)c2C)c1	ZINC000012547094	JK	Agent	Clean	 
N#C/C(=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F	ZINC000012547584	JK	Agent	Reactive	 
CCOc1cc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc(Br)c1O	ZINC000012548287	JK	Agent	Anodyne	 
CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)c3ccccc3)c3ccccc3C2=O)cc1	ZINC000012548775	JK	Agent	Clean	 
Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCc2ccccc2)c1	ZINC000012549271	JK	Agent	Mild	 
Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2CCCc2ccccc2)c1	ZINC000012549273	JK	Agent	Mild	 
N#Cc1c(/C=C/c2ccccc2[N+](=O)[O-])cc(-c2cccc(Cl)c2)n2c1nc1ccccc12	ZINC000012549579	JK	Agent	Mild	 
CCOc1cc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cc(Cl)c1OCC(=O)N(C)C	ZINC000012550858	JK	Agent	Anodyne	 
COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2Br)ccc1OC(=O)c1ccc(F)cc1	ZINC000012555282	JK	Agent	Mild	 
O=C1/C(=C/Nc2ncnc3sc4c(c23)CCCC4)c2ccccc2C(=O)N1Cc1ccccc1	ZINC000012555692	JK	Agent	Anodyne	 
O=C1/C(=C\NN(Cc2ccccc2)c2ccccc2)c2ccccc2C(=O)N1c1cccc(Cl)c1	ZINC000012555759	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000012555938	JK	Agent	Reactive	 
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000012556022	JK	Agent	Reactive	 
CN1/C(=C\C=N\Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C(C)(C)c2ccccc21	ZINC000012556061	JK	Agent	Mild	 
O=C(/C=C/c1cc(F)cc2c1OCOC2)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000012556687	JK	Agent	Anodyne	 
O=C(/C=C/c1cc(F)cc2c1OCOC2)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1	ZINC000012556688	JK	Agent	Anodyne	 
C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	ZINC000012557495	JK	Agent	Reactive	 
C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	ZINC000012557496	JK	Agent	Reactive	 
C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	ZINC000012557497	JK	Agent	Reactive	 
C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)/C(C#N)=C1\Nc2ccccc2S1	ZINC000012557498	JK	Agent	Reactive	 
N#CCCn1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(-c2ccccc2)n1	ZINC000012558332	JK	Agent	Mild	 
Cc1cc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1F	ZINC000012558488	JK	Agent	Reactive	 
C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)c3ccncc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1	ZINC000012558909	JK	Agent	Anodyne	 
C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)c3ccncc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	ZINC000012558911	JK	Agent	Anodyne	 
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C(F)(F)F)ccc2Cl)c1C	ZINC000012559182	JK	Agent	Clean	 
CCN(Cc1ccccc1)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc1	ZINC000012559566	JK	Agent	Mild	 
O=C(/C(=C/c1ccccc1I)c1nc2ccccc2s1)c1ccccc1	ZINC000012559568	JK	Agent	Mild	 
Cc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1ccc(Br)cc1	ZINC000012559693	JK	Agent	Reactive	 
O=C(/N=C1/S[C@H]2c3cccc4cccc(c34)[C@@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000012559854	JK	Agent	Mild	 
O=C(/N=C1/S[C@@H]2c3cccc4cccc(c34)[C@@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000012559856	JK	Agent	Mild	 
O=C(/N=C1/S[C@@H]2c3cccc4cccc(c34)[C@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000012559857	JK	Agent	Mild	 
Cc1cc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)n1C1CCCC1	ZINC000012560411	JK	Agent	Reactive	 
O=C1/C(=C\Nc2ncc(C(F)(F)F)cc2Cl)c2ccccc2C(=O)N1c1ccccc1F	ZINC000012560541	JK	Agent	Anodyne	 
O=C(/C=C/c1cccs1)NC1CCC(CC2CCC(NC(=O)/C=C/c3cccs3)CC2)CC1	ZINC000012561356	JK	Agent	Anodyne	 
O=C(Nc1ccccc1F)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1	ZINC000012561555	JK	Agent	Anodyne	 
O=C1c2ccccc2-c2nn(/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3)c3cccc1c23	ZINC000012561561	JK	Agent	Mild	 
FC(F)Oc1ccc(/C=C2\CCCC3=C2Nc2ncnn2[C@@H]3c2ccc(OC(F)F)cc2)cc1	ZINC000012561597	JK	Agent	Anodyne	 
FC(F)Oc1ccc(/C=C2\CCCC3=C2Nc2ncnn2[C@H]3c2ccc(OC(F)F)cc2)cc1	ZINC000012561598	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nc(-c2cccs2)cs1	ZINC000012561607	JK	Agent	Reactive	 
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(C(C)(C)CC)c1	ZINC000012562124	JK	Agent	Reactive	 
CCOC(=O)c1c(N/N=C2/C(=O)N(c3ccccc3)N=C2C)sc(SC#N)c1-c1ccccc1	ZINC000012562287	JK	Agent	Reactive	 
COCCN(CCOC)C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1	ZINC000012562476	JK	Agent	Anodyne	 
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N/N=C/c1ccccc1Cl	ZINC000012562581	JK	Agent	Mild	 
O=C(/C=C/c1cc2ccccc2[nH]c1=O)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O	ZINC000012562774	JK	Agent	Mild	 
O=C(c1cc(F)c(F)c(F)c1F)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	ZINC000012562779	JK	Agent	Anodyne	 
O=C(c1cc(F)c(F)c(F)c1F)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000012562782	JK	Agent	Anodyne	 
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N/N=C/c1ccccc1C(F)(F)F	ZINC000012562847	JK	Agent	Mild	 
Cc1cc2ccccn2c1C(=O)c1ccc(N/N=C/C=C2\N(C)c3ccccc3C2(C)C)c([N+](=O)[O-])c1	ZINC000012563270	JK	Agent	Mild	 
CCOc1ccc(Br)cc1S(=O)(=O)/N=C(\c1ccccc1)N(C)Cc1ccccc1	ZINC000012563507	JK	Agent	Mild	 
Cc1cc2ccccn2c1C(=O)c1ccc(N/N=C/c2ccc(OC(F)F)cc2)c([N+](=O)[O-])c1	ZINC000012563539	JK	Agent	Mild	 
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)c1nc(-c2ccccc2)no1	ZINC000012563757	JK	Agent	Reactive	 
COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1OCC(=O)c1cc(C)c(C)cc1C	ZINC000012563815	JK	Agent	Anodyne	 
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C(C)(C)CC)c1	ZINC000012563877	JK	Agent	Reactive	 
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1cn(-c2cccs2)nc1-c1ccccc1	ZINC000012563972	JK	Agent	Mild	 
O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c1	ZINC000012564002	JK	Agent	Mild	 
O=[N+]([O-])c1ccc(N/N=C/c2ccccc2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000012564422	JK	Agent	Mild	 
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1	ZINC000012564941	JK	Agent	Reactive	 
O=C(/C=C/c1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	ZINC000012565510	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(Cl)cc1Cl)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	ZINC000012565512	JK	Agent	Anodyne	 
COc1ccccc1/C=C(/C(=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1	ZINC000012565803	JK	Agent	Anodyne	 
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(N(c3ccccc3)c3ccccc3)cc1)CCC2	ZINC000012565830	JK	Agent	Anodyne	 
O=C(CSc1ncnc2ccccc12)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000012566165	JK	Agent	Anodyne	 
O=C(CSc1ncnc2ccccc12)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000012566167	JK	Agent	Anodyne	 
O=[N+]([O-])c1ccccc1/N=c1\scc(-c2ccco2)n1/N=C/c1ccccc1C(F)(F)F	ZINC000012566320	JK	Agent	Mild	 
COc1cc(OC)cc(-c2cc(/C=C/c3cccc(Cl)c3)c(C#N)c3nc4ccccc4n23)c1	ZINC000012566402	JK	Agent	Mild	 
Cc1cc(C)cc(-c2cc(/C=C/c3ccccc3OC(F)F)c(C#N)c3nc4ccccc4n23)c1	ZINC000012566409	JK	Agent	Mild	 
O=C(COc1cccc(F)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000012566496	JK	Agent	Anodyne	 
O=C(COc1cccc(F)c1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000012566498	JK	Agent	Anodyne	 
O=C1/C(=C/Nc2ncnc3sc4c(c23)CCCC4)c2ccccc2C(=O)N1c1ccccc1Cl	ZINC000012566570	JK	Agent	Anodyne	 
O=C(O/C(=C1\CCC(C2=CCCC2)=C1N1CCOCC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000012566623	JK	Agent	Anodyne	 
N#Cc1c(/C=C/c2ccccc2Br)cc(-c2cccc(F)c2)n2c1nc1ccccc12	ZINC000012566661	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)cc1Cl	ZINC000012566826	JK	Agent	Mild	 
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000012566940	JK	Agent	Reactive	 
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1ccc(Cl)cc1F	ZINC000012567303	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1cc(Cl)ccc1Cl	ZINC000012569760	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000012569942	JK	Agent	Mild	 
O=[N+]([O-])c1ccccc1N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000012570174	JK	Agent	Mild	 
O=C(O/C(=C(\Sc1ccccc1[N+](=O)[O-])C(=O)c1ccccc1)c1ccccc1)c1ccc(F)cc1	ZINC000012574989	JK	Agent	Mild	 
CNC(=O)c1sc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@@H]2c2ccc(F)cc2)nc1C	ZINC000012576131	JK	Agent	Anodyne	 
CNC(=O)c1sc(N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)nc1C	ZINC000012576145	JK	Agent	Anodyne	 
CCOC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)nc1C	ZINC000012576260	JK	Agent	Anodyne	 
CCOC(=O)c1sc(N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nc1C	ZINC000012576271	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(/C=N/N=C/c3cccc([N+](=O)[O-])c3)=C2N2CCOCC2)cc1	ZINC000012576482	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2\CCC(/C=N/N=C/c3ccc([N+](=O)[O-])cc3)=C2N2CCOCC2)cc1	ZINC000012576541	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2\CCC(/C=C3\N=C(c4cccs4)OC3=O)=C2N2CCOCC2)cc1	ZINC000012576804	JK	Agent	Clean	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1OC	ZINC000012578299	JK	Agent	Reactive	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1	ZINC000012578405	JK	Agent	Reactive	 
CCOc1ccc(OCC)c(NC(=O)/C=C/c2ccc(OCc3cn4ccccc4n3)cc2)c1	ZINC000012578614	JK	Agent	Anodyne	 
Clc1ccc(/N=c2/oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1	ZINC000012580283	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(/C=N/Nc3ccc([N+](=O)[O-])cc3)=C2N2CCOCC2)cc1	ZINC000012580366	JK	Agent	Mild	 
O=[N+]([O-])c1cccc(/C=C2\CCC(/C=N/N=C/c3ccccc3Cl)=C2N2CCOCC2)c1	ZINC000012580411	JK	Agent	Mild	 
O=[N+]([O-])c1cccc(/C=C2\CCC(/C=N/N=C/c3ccc(Br)cc3)=C2N2CCOCC2)c1	ZINC000012580425	JK	Agent	Anodyne	 
O=C1OC(c2cccs2)=N/C1=C\C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1	ZINC000012580502	JK	Agent	Anodyne	 
CCc1ccc(/C=N/Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])cc1	ZINC000012584771	JK	Agent	Mild	 
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1	ZINC000012586119	JK	Agent	Reactive	 
O=C(CSc1nc2ccccc2o1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	ZINC000012588106	JK	Agent	Anodyne	 
O=C(CSc1nc2ccccc2o1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000012588115	JK	Agent	Anodyne	 
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(-c3nnc4n3CCCCC4)cc2)c1C	ZINC000012589147	JK	Agent	Clean	 
N#C/C(=C\c1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1nnc2n1CCCCC2	ZINC000012589454	JK	Agent	Reactive	 
C[C@H](c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)N(C)C	ZINC000012590325	JK	Agent	Mild	 
C[C@@H](c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)N(C)C	ZINC000012590341	JK	Agent	Mild	 
CCc1ccc(NC(=O)[C@@H](C)Sc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1	ZINC000012590502	JK	Agent	Anodyne	 
CCc1ccc(NC(=O)[C@H](C)Sc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1	ZINC000012590508	JK	Agent	Anodyne	 
C=C(C)CN(CC)C(=O)CSc1nnc2n(-c3ccc([C@H](C)CC)cc3)c(=O)c3ccccc3n12	ZINC000012590951	JK	Agent	Mild	 
C=C(C)CN(CC)C(=O)CSc1nnc2n(-c3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc3n12	ZINC000012590958	JK	Agent	Mild	 
Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)c3ccc(Cl)cc3)nnc12	ZINC000012591942	JK	Agent	Anodyne	 
Cc1ccccc1-n1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)c3ccc(Cl)cc3)nnc12	ZINC000012591951	JK	Agent	Anodyne	 
Cc1ccc(C(=O)[C@@H](C)Sc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1	ZINC000012591958	JK	Agent	Anodyne	 
Cc1ccc(C(=O)[C@H](C)Sc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1	ZINC000012591963	JK	Agent	Anodyne	 
O=[N+]([O-])c1cc(/N=C/c2ccc(Br)cc2)ccc1/N=C/c1ccc(Br)cc1	ZINC000012592126	JK	Agent	Mild	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4ccc(Cl)cc4)nnc23)c1	ZINC000012593248	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)c4ccc(Cl)cc4)nnc23)c1	ZINC000012593252	JK	Agent	Anodyne	 
O=C(/C=C/c1cccnc1)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	ZINC000012595360	JK	Agent	Anodyne	 
COc1cccc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cc2)c1OC	ZINC000012596109	JK	Agent	Mild	 
COc1cccc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cc2)c1OC	ZINC000012596112	JK	Agent	Mild	 
CCOc1ccc(C(=O)[C@@H](C)Sc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1	ZINC000012596170	JK	Agent	Anodyne	 
CCOc1ccc(C(=O)[C@H](C)Sc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cc1	ZINC000012596173	JK	Agent	Anodyne	 
O=S(=O)(/N=C(\Nc1ccc(N2CCCCC2)cc1)c1ccccc1Cl)c1cccs1	ZINC000012599669	JK	Agent	Mild	 
N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nc2ccccc2s1	ZINC000012599860	JK	Agent	Reactive	 
Clc1ccc(/C=C2\CCc3cnn(-c4nc(-c5ccc(Cl)cc5Cl)cs4)c32)cc1	ZINC000012600295	JK	Agent	Anodyne	 
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C)c1	ZINC000012600630	JK	Agent	Reactive	 
CC(C)(C)c1ccc(Oc2ccc(/C=C(\CC(=O)O)c3nc4ccccc4o3)cc2[N+](=O)[O-])cc1	ZINC000012601187	JK	Agent	Bother	 
CCOc1ccc(N2C(=O)/C(=C/Nc3ccc(SC(F)F)cc3)c3ccccc3C2=O)cc1	ZINC000012603249	JK	Agent	Anodyne	 
COc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)cc1	ZINC000012603853	JK	Agent	Mild	 
N#C/C(=C(/Nc1ccc(F)cc1)SCC(=O)c1ccc(Cl)s1)c1nc2ccccc2s1	ZINC000012604248	JK	Agent	Reactive	 
N#C/C(=C(/Nc1ccc(F)cc1)SCC(=O)NC1CCCCCCC1)c1nc2ccccc2s1	ZINC000012604250	JK	Agent	Reactive	 
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1cccc(Cl)c1Cl)CN(Cc1ccccc1)C2	ZINC000012604408	JK	Agent	Anodyne	 
CCOC(=O)c1c(/N=c2/scc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)sc(C)c1C	ZINC000012604666	JK	Agent	Anodyne	 
Nc1nnc(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)s1	ZINC000012604862	JK	Agent	Anodyne	 
C[C@H]1C/C(=N\Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000012604897	JK	Agent	Mild	 
C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1	ZINC000012607674	JK	Agent	Mild	 
C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1	ZINC000012607676	JK	Agent	Mild	 
Cn1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000012607800	JK	Agent	Reactive	 
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3n(-c4cccc(C)c4C)c(=O)c4ccccc4n23)c(C)c1	ZINC000012609476	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)[C@H](C)Sc2nnc3n(-c4cccc(C)c4C)c(=O)c4ccccc4n23)c(C)c1	ZINC000012609478	JK	Agent	Anodyne	 
CC[C@H](C)N(C(=O)CSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12)[C@@H](C)CC	ZINC000012609667	JK	Agent	Anodyne	 
CC[C@@H](C)N(C(=O)CSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12)[C@H](C)CC	ZINC000012609669	JK	Agent	Anodyne	 
CC[C@H](C)N(C(=O)CSc1nnc2n(-c3cccc(C)c3C)c(=O)c3ccccc3n12)[C@H](C)CC	ZINC000012609671	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCOCC2)cc1	ZINC000012618347	JK	Agent	Anodyne	 
CCCCN1c2ccccc2Sc2cc(/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)ccc21	ZINC000012618476	JK	Agent	Clean	 
O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	ZINC000012618964	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCCC2)cc1	ZINC000012619595	JK	Agent	Anodyne	 
Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCc3ccccc32)cc1	ZINC000012619635	JK	Agent	Anodyne	 
COc1cc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000012619767	JK	Agent	Mild	 
COc1cc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccc(Cl)cc3[nH]2)cc(OC)c1OC	ZINC000012619771	JK	Agent	Mild	 
COc1cc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2ccc3ccccc3n2)cc(OC)c1OC	ZINC000012619779	JK	Agent	Mild	 
O=C(O)CC/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1	ZINC000012620014	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)NCc1ccccc1	ZINC000012620980	JK	Agent	Anodyne	 
COc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccc(Cl)cc1Cl	ZINC000012622335	JK	Agent	Anodyne	 
COC(=O)c1ccc(COc2ccc(/C=C/c3nc4c(ccc5ccccc54)s3)cc2)cc1	ZINC000012622600	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)c1ccccc1	ZINC000012624811	JK	Agent	Anodyne	 
O=C(COc1ccc2c(c1)OCO2)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000012625609	JK	Agent	Anodyne	 
O=C(COc1ccc2c(c1)OCO2)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000012625614	JK	Agent	Anodyne	 
COc1ccc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1OCC(C)C	ZINC000012627542	JK	Agent	Anodyne	 
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3ccc(-c4cn5c(n4)CCC5)cc3)c2C)cc1	ZINC000012628562	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)ccc1OCC(C)C	ZINC000012628998	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)ccc1OCC(C)C	ZINC000012629001	JK	Agent	Anodyne	 
Cc1cc(/C=C/C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(C)n1-c1ccnn1C(C)C	ZINC000012629004	JK	Agent	Anodyne	 
Cc1cc(/C=C/C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C)n1-c1ccnn1C(C)C	ZINC000012629007	JK	Agent	Anodyne	 
Cc1ccc(C(=O)Oc2ccccc2/C=N/n2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1	ZINC000012629405	JK	Agent	Mild	 
CCOC(=O)/C(=C\c1ccc(C)s1)C1=Nn2c(nnc2-c2ccc(C(C)(C)C)cc2)SC1	ZINC000012630967	JK	Agent	Anodyne	 
COc1ccc(-c2nn(CCC#N)cc2/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc1OC	ZINC000012632207	JK	Agent	Mild	 
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1CC(C)C	ZINC000012633266	JK	Agent	Reactive	 
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@H](C)CCCC(C)C)nnc23)c(C)c1	ZINC000012633411	JK	Agent	Anodyne	 
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N[C@@H](C)CCCC(C)C)nnc23)c(C)c1	ZINC000012633414	JK	Agent	Anodyne	 
COc1cc(/C=C2\N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OCc1ccccc1Cl	ZINC000012634341	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000012634476	JK	Agent	Anodyne	 
Cc1cccc(/N=C2\S[C@H](C)CN2C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c1	ZINC000012634620	JK	Agent	Mild	 
CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCCc4ccncc4)nnc23)cc1	ZINC000012634622	JK	Agent	Anodyne	 
CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCCc4ccncc4)nnc23)cc1	ZINC000012634626	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C/Nc3ccccc3-c3ccccc3)c3ccccc3C2=O)cc1OC	ZINC000012634856	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\Nc3cccc4ccccc34)c3ccccc3C2=O)cc1OC	ZINC000012634862	JK	Agent	Anodyne	 
COc1ccc(CN2C(=O)/C(=C\Nc3ncnc4sc5c(c34)CCCC5)c3ccccc3C2=O)cc1	ZINC000012636137	JK	Agent	Anodyne	 
O=c1[nH]c(/C=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)nc2sc3c(c12)CCC3	ZINC000012637635	JK	Agent	Anodyne	 
O=c1nc(/C(Cl)=C/c2cc([N+](=O)[O-])ccc2Cl)[nH]c2cc(-c3ccc(F)cc3)sc12	ZINC000012639906	JK	Agent	Bother	 
CN1/C(=C\C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)C(C)(C)c2ccccc21	ZINC000012642456	JK	Agent	Mild	 
COCCCn1c(=O)c2ccccc2n2c(SCc3ccccc3Oc3ccccc3)nnc12	ZINC000012643648	JK	Agent	Anodyne	 
COc1ccccc1/C=C(/CC(=O)Nc1cc(C(C)(C)C)ccc1OC)c1nc2ccccc2s1	ZINC000012645441	JK	Agent	Anodyne	 
O=C(OCCN1C(=O)c2ccccc2C1=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	ZINC000012647641	JK	Agent	Anodyne	 
CC(=O)Nc1cccc(/C(C)=N/n2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2c(C)cccc2C)c1	ZINC000012649934	JK	Agent	Mild	 
CCc1nnc(NC(=O)C/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3s2)s1	ZINC000012651695	JK	Agent	Bother	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)Nc1ccccc1	ZINC000012653675	JK	Agent	Anodyne	 
COc1ccc(OC)c(NC(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CC3)c1	ZINC000012653873	JK	Agent	Anodyne	 
O=C(O)C(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2n1	ZINC000012654036	JK	Agent	Mild	 
CCCCOc1ccc(/C=C2\CCC(C(=S)Nc3ccc(OC)cc3)=C2N2CCCC2)cc1	ZINC000012655231	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)C1=C(N2CCCCC2)/C(=C/c2ccccc2OC(F)F)CC1	ZINC000012657412	JK	Agent	Anodyne	 
O=C(O)CCn1cc(/C=C/C(=O)c2ccc(Cl)cc2)c(-c2cccc(Br)c2)n1	ZINC000012657447	JK	Agent	Mild	 
CCc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2	ZINC000012657935	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	ZINC000012658501	JK	Agent	Reactive	 
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Br)cc1)CN(Cc1ccccc1)C2	ZINC000012658507	JK	Agent	Anodyne	 
O=C(O)C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc2ccccc2s1	ZINC000012658513	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3	ZINC000012658519	JK	Agent	Reactive	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3	ZINC000012658521	JK	Agent	Reactive	 
COc1cc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc(Br)c1O	ZINC000012658673	JK	Agent	Anodyne	 
COc1cc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc(Br)c1O	ZINC000012658676	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1	ZINC000012658716	JK	Agent	Reactive	 
CCOCCC/N=C1\SC[C@@H](CC)N1C(=O)c1cc(-c2cccs2)nc2ccccc12	ZINC000012658885	JK	Agent	Mild	 
CCOCCC/N=C1\SC[C@H](CC)N1C(=O)c1cc(-c2cccs2)nc2ccccc12	ZINC000012658888	JK	Agent	Mild	 
N#Cc1c(N(C(=O)/C=C/c2ccco2)C(=O)/C=C/c2ccco2)oc(-c2ccco2)c1-c1ccco1	ZINC000012658891	JK	Agent	Mild	 
N#C/C(C(=O)Nc1cccc2ccccc12)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21	ZINC000012659140	JK	Agent	Reactive	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC	ZINC000012659646	JK	Agent	Anodyne	 
C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1OC(F)F	ZINC000012659920	JK	Agent	Mild	 
O=C(OCCOc1ccc(Br)cc1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	ZINC000012659977	JK	Agent	Anodyne	 
N#CCCN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2)c1ccccc1	ZINC000012660022	JK	Agent	Mild	 
Oc1c(Br)cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1Br	ZINC000012660236	JK	Agent	Anodyne	 
COc1ccc(-c2csc(/C=C/c3cn(-c4ccccc4)nc3-c3cccs3)n2)cc1OC	ZINC000012660273	JK	Agent	Anodyne	 
O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2/N=C/c2ccc3c(c2)OCCO3)cc1	ZINC000012661026	JK	Agent	Mild	 
O=C(OCc1c(Cl)cccc1Cl)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2	ZINC000012661164	JK	Agent	Anodyne	 
C/C(=N\n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C1CCCCC1)c1ccc(Br)cc1	ZINC000012661219	JK	Agent	Anodyne	 
CCC(C)(C)C1CCC(=Nn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\C2CCCCC2)CC1	ZINC000012661221	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3csc(-c4ccc(Cl)cc4)n3)c12	ZINC000012681224	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3c(C)nn(Cc4ccccc4)c3Cl)c12	ZINC000012682941	JK	Agent	Mild	 
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000012683042	JK	Agent	Anodyne	 
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000012683047	JK	Agent	Anodyne	 
CCc1nnc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(OC)c(OC)c2)CCC3)o1	ZINC000012684938	JK	Agent	Anodyne	 
CCc1nnc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(OC)cc2)CCC3)o1	ZINC000012684945	JK	Agent	Anodyne	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)c12	ZINC000012686938	JK	Agent	Mild	 
COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C/C(=O)N(C)Cc1sccc1C	ZINC000012689118	JK	Agent	Anodyne	 
COc1cc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc(Cl)cc1	ZINC000012689137	JK	Agent	Anodyne	 
O=C(COc1ccc(-c2nnco2)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000012689549	JK	Agent	Anodyne	 
O=C(COc1ccc(-c2nnco2)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000012689562	JK	Agent	Anodyne	 
C=CCN(C(=O)/C=C/c1nc2ccccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1	ZINC000012691508	JK	Agent	Mild	 
C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1	ZINC000012692608	JK	Agent	Mild	 
O=C(COc1ncnc2sccc12)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000012695146	JK	Agent	Anodyne	 
C/C(C=NNC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C\c1ccccc1	ZINC000012727309	JK	Agent	Anodyne	 
CC[C@H](C)N(C(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@@H](C)CC	ZINC000012732826	JK	Agent	Anodyne	 
CC[C@@H](C)N(C(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@H](C)CC	ZINC000012732830	JK	Agent	Anodyne	 
CC[C@H](C)N(C(=O)CSc1nnc2n(-c3cc(C)ccc3C)c(=O)c3ccccc3n12)[C@H](C)CC	ZINC000012732833	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1	ZINC000012741523	JK	Agent	Bother	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1	ZINC000012745452	JK	Agent	Bother	 
COc1ccc(-c2nnc([C@@H](C)OC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)o2)cc1	ZINC000012750268	JK	Agent	Anodyne	 
COc1ccc(-c2nnc([C@H](C)OC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CC4)o2)cc1	ZINC000012750274	JK	Agent	Anodyne	 
Cc1oc2nc(S[C@H](C)C(=O)N3C[C@H](C)C[C@@H](C)C3)nc(NC(=O)c3ccccc3)c2c1C	ZINC000012753103	JK	Agent	Anodyne	 
Cc1oc2nc(S[C@H](C)C(=O)N3C[C@@H](C)C[C@@H](C)C3)nc(NC(=O)c3ccccc3)c2c1C	ZINC000012753113	JK	Agent	Anodyne	 
Cc1oc2nc(S[C@H](C)C(=O)N3C[C@@H](C)C[C@H](C)C3)nc(NC(=O)c3ccccc3)c2c1C	ZINC000012753118	JK	Agent	Anodyne	 
COc1cc(/C=C(\Cl)c2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)ccc1OCC(=O)O	ZINC000012755816	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F	ZINC000012756529	JK	Agent	Bother	 
COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])cc1OC(F)F	ZINC000012756533	JK	Agent	Bother	 
CCN1CCN(c2ccc(C(=O)/C=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2F)CC1	ZINC000012757948	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cs1)c1ccccc1F	ZINC000012758936	JK	Agent	Anodyne	 
COc1ccc(N(C(C)=O)c2nc(/C=C/c3nc4ccc([N+](=O)[O-])cc4s3)cs2)cc1	ZINC000012760157	JK	Agent	Bother	 
O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1csc(-c2cccc(Br)c2)n1	ZINC000012761547	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cs1)c1ccc(F)cc1F	ZINC000012762978	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cs1	ZINC000012764175	JK	Agent	Mild	 
Cn1c(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)nnc1C1CC1	ZINC000012776143	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nnc1C1CC1	ZINC000012776150	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1	ZINC000012779138	JK	Agent	Reactive	 
C=CCn1c(C)cc(C(=O)CSc2nnc3n(-c4cccc(C)c4C)c(=O)c4ccccc4n23)c1C	ZINC000012779348	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cs1)c1ccc(F)cc1F	ZINC000012783222	JK	Agent	Anodyne	 
CC(C)c1ccc(/C=C/C(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CCCC2)cc1	ZINC000012790026	JK	Agent	Bother	 
COc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SCc2nc(C(C)C)no2)c1	ZINC000012795434	JK	Agent	Anodyne	 
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCc2nc(C(C)C)no2)cc1OC	ZINC000012795455	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cs1)c1ccccc1F	ZINC000012796172	JK	Agent	Anodyne	 
O=C(/C=C/c1cccc(Br)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	ZINC000012798256	JK	Agent	Anodyne	 
O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000012798506	JK	Agent	Anodyne	 
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1nc(O)c2ccccc2n1	ZINC000012800650	JK	Agent	Reactive	 
CC(=O)N(c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1ccc(F)cc1F	ZINC000012801411	JK	Agent	Bother	 
COc1cc(/C=C/c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc(Br)c1O	ZINC000012801503	JK	Agent	Anodyne	 
O=C(/C=C/c1cccc(Br)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000012803440	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cs1	ZINC000012805985	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cs1	ZINC000012805993	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cs1	ZINC000012809766	JK	Agent	Anodyne	 
O=C(CSc1nnc(C2CC2)o1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	ZINC000012810266	JK	Agent	Anodyne	 
O=C(CSc1nnc(C2CC2)o1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000012810277	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)cs1)c1ccccc1F	ZINC000012814546	JK	Agent	Anodyne	 
Cc1cc(/C=C/C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)n1-c1ccccc1	ZINC000012814602	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1)c1ccc(F)cc1F	ZINC000012815526	JK	Agent	Bother	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cs1	ZINC000012818386	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	ZINC000012825168	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000012825173	JK	Agent	Anodyne	 
Cc1ccccc1/C=C/c1nc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n[nH]1	ZINC000012845828	JK	Agent	Anodyne	 
Cc1ccccc1/C=C/c1nc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n[nH]1	ZINC000012845831	JK	Agent	Anodyne	 
Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(CSc3nc4ccccc4s3)cc1)C(O)=N2	ZINC000012848413	JK	Agent	Reactive	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3Br)OC2=O)cs1)c1ccccc1F	ZINC000012856737	JK	Agent	Anodyne	 
CCN1C/C(=C\c2c(C)nn(-c3ccc(C)cc3C)c2Cl)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000012863485	JK	Agent	Anodyne	 
CCN1C/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000012865760	JK	Agent	Anodyne	 
CC[C@H](c1nnc(Sc2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)o1)N(C)C	ZINC000012888493	JK	Agent	Anodyne	 
CC[C@@H](c1nnc(Sc2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)o1)N(C)C	ZINC000012888498	JK	Agent	Anodyne	 
O=C(/C=C/c1cc(Br)ccc1F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1	ZINC000012889546	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2\N=C(c3ccccc3C)OC2=O)cs1	ZINC000012892729	JK	Agent	Anodyne	 
CCCc1nc(CSC2=N/C(=C\c3cccs3)C(=O)N2c2ccc(OC)c(Cl)c2)cs1	ZINC000012898092	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCc3noc(CC(C)C)n3)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000012898261	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cs1	ZINC000012898331	JK	Agent	Anodyne	 
Cc1noc([C@@H](C)OC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc4c(c2)OCO4)CCC3)n1	ZINC000012902971	JK	Agent	Anodyne	 
Cc1noc([C@H](C)OC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc4c(c2)OCO4)CCC3)n1	ZINC000012902979	JK	Agent	Anodyne	 
Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4cscn4)cc3)c3ccccc3C2=O)c1	ZINC000012907158	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccc(F)cc3F)OC2=O)cs1)c1cccc(C)c1C	ZINC000012907505	JK	Agent	Anodyne	 
C[C@@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000012908145	JK	Agent	Bother	 
C[C@H](OC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000012908149	JK	Agent	Bother	 
O=C(/C=C/c1c(F)cccc1Cl)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1	ZINC000012908165	JK	Agent	Anodyne	 
O=C(/C=C/c1c(F)cccc1Cl)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000012908170	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1c(C)cccc1C	ZINC000012909514	JK	Agent	Bother	 
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1)c1ccc(F)cc1F	ZINC000012913938	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1)c1ccc(F)cc1F	ZINC000012915371	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3Br)OC2=O)cs1)c1c(C)cccc1C	ZINC000012919888	JK	Agent	Anodyne	 
Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c2C)cc1	ZINC000012923247	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1	ZINC000012923372	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)n1CC(C)C	ZINC000012925003	JK	Agent	Reactive	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1	ZINC000012929334	JK	Agent	Mild	 
COc1ccc(N(C(C)=O)c2nc(/C=C3\N=C(c4ccc(Cl)cc4Cl)OC3=O)cs2)cc1	ZINC000012933554	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C/c2ccc(-c3ccc(F)cc3)o2)s1	ZINC000012934609	JK	Agent	Anodyne	 
N#C/C(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=C1/NC(c2cccs2)=CS1	ZINC000012935688	JK	Agent	Reactive	 
N#CCOc1ccc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)cc1	ZINC000012935737	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1)c1cccc(C)c1C	ZINC000012938864	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1)c1ccc(F)cc1F	ZINC000012938871	JK	Agent	Mild	 
COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(Br)cc3)cs2)cc1	ZINC000012938878	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1)c1cccc(C)c1C	ZINC000012938884	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C/C(=O)c2cccc(Br)c2)cs1)c1c(C)cccc1C	ZINC000012938891	JK	Agent	Mild	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cs1	ZINC000012939576	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cs1)c1ccc(F)cc1F	ZINC000012971440	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cs1	ZINC000012974462	JK	Agent	Anodyne	 
COc1ccc(N(C(C)=O)c2nc(/C=C(\CC(=O)O)c3nc4ccccc4s3)cs2)cc1	ZINC000012979191	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cs1	ZINC000012980513	JK	Agent	Anodyne	 
CCOc1ccc2c(=O)c(-c3cscn3)c(/C=C/c3cc(OC)c(OC)c(OC)c3)oc2c1	ZINC000012981383	JK	Agent	Anodyne	 
CCOc1ccc(C2=N/C(=C\c3csc(N(C(C)=O)c4c(C)cccc4C)n3)C(=O)O2)cc1	ZINC000012989215	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cs1	ZINC000012993296	JK	Agent	Anodyne	 
O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1	ZINC000012998154	JK	Agent	Anodyne	 
CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)ccc21	ZINC000012998414	JK	Agent	Anodyne	 
CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)/C(=C/c3ccc(F)cc3)c3cccs3)ccc21	ZINC000012998415	JK	Agent	Anodyne	 
CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1	ZINC000013001464	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1)c1cccc(C)c1C	ZINC000013001862	JK	Agent	Bother	 
CC(=O)N(c1nc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cs1)c1cccc(C)c1C	ZINC000013001865	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cs1)c1cccc(C)c1C	ZINC000013001866	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(\CCC(=O)O)c2nc3ccccc3s2)cs1)c1c(C)cccc1C	ZINC000013001868	JK	Agent	Anodyne	 
O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cccc(Br)c2)s1	ZINC000013002096	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cs1)c1c(C)cccc1C	ZINC000013002243	JK	Agent	Bother	 
CC(=O)N(c1nc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)cs1)c1cccc(C)c1C	ZINC000013002245	JK	Agent	Bother	 
CC(=O)N(c1nc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cs1)c1c(C)cccc1C	ZINC000013002247	JK	Agent	Anodyne	 
C/C=C/c1ccc(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)c(OC)c1	ZINC000013010004	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(Cc2ccccc2)c2nnc(SC(F)F)s2)cc(OC)c1	ZINC000013010371	JK	Agent	Anodyne	 
C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)c1ccc(F)c(F)c1	ZINC000013011984	JK	Agent	Anodyne	 
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)C(=O)c1ccc(F)c(F)c1	ZINC000013011985	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)Nc1ccc(F)cc1F	ZINC000013014041	JK	Agent	Anodyne	 
O=C1/C(=C/c2ccc(F)cc2)N=C(SCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1	ZINC000013014424	JK	Agent	Anodyne	 
Cc1ccc(/C=C2\N=C(SCc3ccc(F)cc3)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	ZINC000013014426	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)c(C)c1	ZINC000013014434	JK	Agent	Anodyne	 
COc1ccc2cc(/C=C(\Cl)c3nnc(C(=O)NCc4ccc(F)cc4)s3)ccc2c1	ZINC000013014801	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C	ZINC000013017589	JK	Agent	Anodyne	 
Cc1c(C#N)c(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)n(C2CCCCC2)c1C	ZINC000013022673	JK	Agent	Mild	 
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)/C=C/c2cccc3cccnc23)cs1	ZINC000013023137	JK	Agent	Anodyne	 
Cc1cccc(/C=C/c2cc(-c3ccc(Br)cc3)n3c(nc4ccccc43)c2C#N)c1	ZINC000013027239	JK	Agent	Mild	 
Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1	ZINC000013027440	JK	Agent	Anodyne	 
COc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2SCc2ccc(Cl)cc2)c1	ZINC000013028238	JK	Agent	Anodyne	 
Cc1ccc(Nc2nc(/C=C/c3ccc(Br)cc3)nc3sc4c(c23)CCCC4)cc1C	ZINC000013028306	JK	Agent	Anodyne	 
CCOc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)ccc1OCC(=O)N(C)C	ZINC000013029215	JK	Agent	Anodyne	 
O=C(CSc1nc(/C=C/c2ccccc2)nc2ccccc12)c1cc(Cl)ccc1Cl	ZINC000013030050	JK	Agent	Anodyne	 
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O	ZINC000013030181	JK	Agent	Reactive	 
O=C(COc1ncnc2ccccc12)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000013031118	JK	Agent	Anodyne	 
O=C(COc1ncnc2ccccc12)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000013031124	JK	Agent	Anodyne	 
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1Cl	ZINC000013032129	JK	Agent	Reactive	 
CN1CCCN(c2nc(/C=C/c3ccc(Br)cc3)nc3sc4c(c23)CCCC4)CC1	ZINC000013038044	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1cccc(C)c1C	ZINC000013038118	JK	Agent	Clean	 
Cc1ccc(NC2=NC(=O)/C(=C\c3cn(Cc4ccccc4)nc3-c3ccccc3)S2)cc1	ZINC000013038121	JK	Agent	Clean	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cs1	ZINC000013038389	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cs1)c1ccc(F)cc1F	ZINC000013038391	JK	Agent	Mild	 
Cc1cc(C(=O)CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)c(C)n1Cc1ccccc1Cl	ZINC000013038528	JK	Agent	Mild	 
Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1/C=C(\CC(=O)O)c1nc2ccccc2s1	ZINC000013039012	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cs1)c1ccccc1F	ZINC000013039040	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cs1)c1c(C)cccc1C	ZINC000013039041	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cs1)c1ccc(F)cc1F	ZINC000013039042	JK	Agent	Clean	 
Cc1cc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)c(C)n1-c1cccc(Cl)c1	ZINC000013039431	JK	Agent	Clean	 
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccn4)C(=O)c4ccccc43)c2C)cc1C	ZINC000013039433	JK	Agent	Clean	 
Cc1ccc(NC2=NC(=O)/C(=C\c3cn(CCC#N)nc3-c3ccc(Br)cc3)S2)cc1	ZINC000013039791	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1ccccc1F	ZINC000013039792	JK	Agent	Clean	 
CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccccc3C(C)(C)C)c3ccccc3C2=O)cc1	ZINC000013040244	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(C(C)C)c1C	ZINC000013040257	JK	Agent	Anodyne	 
COc1ccc(-c2nc(NC(=O)/C=C/c3ccc(OCC(C)C)c(OC)c3)sc2C)cc1	ZINC000013041843	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1OCC(C)C	ZINC000013041890	JK	Agent	Anodyne	 
Cc1cc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)c(C)n1-c1cccc2ccccc12	ZINC000013041965	JK	Agent	Clean	 
N#CCCn1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c(-c2ccc(Br)cc2)n1	ZINC000013041973	JK	Agent	Mild	 
O=C(O)CC/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1nc2ccccc2s1	ZINC000013042013	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(Cl)c1	ZINC000013042033	JK	Agent	Reactive	 
COc1cc(/C=C/C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc(Cl)c1OC(C)C	ZINC000013056961	JK	Agent	Anodyne	 
CCOc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1	ZINC000013057365	JK	Agent	Anodyne	 
CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1	ZINC000013057953	JK	Agent	Anodyne	 
Cc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C	ZINC000013058996	JK	Agent	Mild	 
Cc1ccccc1C(=O)/C=C1\SCC(=O)N1CC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C	ZINC000013058999	JK	Agent	Mild	 
CCCCOc1ccc(/C=C(/C(=O)N2CCCC2)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1	ZINC000013059521	JK	Agent	Anodyne	 
O=C(/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCCC1	ZINC000013060684	JK	Agent	Anodyne	 
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)no3)cc2OC)cc1OC	ZINC000013063208	JK	Agent	Reactive	 
CC(C)(C)c1ccc(C(=O)/C=C2\SCC(=O)N2CC(=O)Nc2ccccc2C(C)(C)C)cc1	ZINC000013063246	JK	Agent	Mild	 
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)cc1C	ZINC000013068488	JK	Agent	Reactive	 
CCc1ccc(-n2c(=O)c3ccccc3n3c(=S)n(CN(C)Cc4ccccc4C)nc23)cc1	ZINC000013069216	JK	Agent	Anodyne	 
Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1	ZINC000013069706	JK	Agent	Clean	 
Cc1ccc(Cn2nc(C)c(/C=C(\CCC(=O)O)c3nc4ccccc4s3)c2Cl)cc1	ZINC000013069804	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(=S)n(CN3CCC[C@@H]3c3cccs3)nc2n1-c1ccccc1	ZINC000013070088	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(=S)n(CN3CCC[C@H]3c3cccs3)nc2n1-c1ccccc1	ZINC000013070090	JK	Agent	Anodyne	 
Cc1ccc(-n2c(=O)c3ccccc3n3c(=S)n(CN4CCC[C@@H]4c4cccs4)nc23)cc1	ZINC000013070096	JK	Agent	Anodyne	 
Cc1ccc(-n2c(=O)c3ccccc3n3c(=S)n(CN4CCC[C@H]4c4cccs4)nc23)cc1	ZINC000013070098	JK	Agent	Anodyne	 
Cc1ccccc1-n1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H]3c3cccs3)nc12	ZINC000013070100	JK	Agent	Anodyne	 
Cc1ccccc1-n1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H]3c3cccs3)nc12	ZINC000013070102	JK	Agent	Anodyne	 
CCc1ccc(-n2c(=O)c3ccccc3n3c(=S)n(CN4CCC[C@@H]4c4cccs4)nc23)cc1	ZINC000013070104	JK	Agent	Anodyne	 
CCc1ccc(-n2c(=O)c3ccccc3n3c(=S)n(CN4CCC[C@H]4c4cccs4)nc23)cc1	ZINC000013070106	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1c(C)noc1C	ZINC000013070300	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1c(C)noc1C	ZINC000013070302	JK	Agent	Anodyne	 
CCS(=O)(=O)c1ccc2oc(/C=C/c3cn(-c4ccccc4)nc3-c3cccs3)nc2c1	ZINC000013072965	JK	Agent	Anodyne	 
CC(C)CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@@H]3c3cccs3)nc12	ZINC000013073161	JK	Agent	Anodyne	 
CC(C)CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCC[C@H]3c3cccs3)nc12	ZINC000013073163	JK	Agent	Anodyne	 
C[C@@H](OC(=O)/C=C/c1cccc(Br)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000013074691	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C=C/c1cccc(Br)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000013074693	JK	Agent	Anodyne	 
COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Br)c1OC	ZINC000013074999	JK	Agent	Mild	 
O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)Nc1ccccc1F	ZINC000013075669	JK	Agent	Anodyne	 
Cc1nc(-c2cccs2)sc1C(=O)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1	ZINC000013095160	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)/C=C2\SCC(=O)N2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1	ZINC000013095251	JK	Agent	Mild	 
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1	ZINC000013095853	JK	Agent	Reactive	 
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1	ZINC000013095854	JK	Agent	Reactive	 
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1ccc(Br)s1	ZINC000013095998	JK	Agent	Anodyne	 
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2\SC(Nc3ccccc3)=NC2=O)c1	ZINC000013096661	JK	Agent	Clean	 
COc1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCc1ccccc1	ZINC000013096813	JK	Agent	Anodyne	 
Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1	ZINC000013096999	JK	Agent	Anodyne	 
Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C/c1cc(C(=O)O)c2ccccc2n1	ZINC000013097592	JK	Agent	Anodyne	 
CCOc1cc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)cc(Cl)c1OC	ZINC000013097793	JK	Agent	Anodyne	 
CCOc1cc(/C=C/C(=O)N(c2nc3ccccc3s2)c2ccccc2OC)cc(Cl)c1OC	ZINC000013097877	JK	Agent	Anodyne	 
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\CCC(=O)O)c2nc3ccccc3s2)cc1C	ZINC000013097964	JK	Agent	Anodyne	 
Cc1c(C)c(C)c(C(=O)CSc2nc(/C=C/c3ccccc3)nc3ccccc23)c(C)c1C	ZINC000013098529	JK	Agent	Anodyne	 
CCc1ccc(-n2c(=O)c3ccccc3n3c(SCCOc4ccc(Cl)cc4)nnc23)cc1	ZINC000013098716	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccccc3C(C)C)c3ccccc3C2=O)cc1	ZINC000013098974	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cs1	ZINC000013098975	JK	Agent	Anodyne	 
CC1CCC(C(=O)Nc2ccccc2)(N(Cc2ccccc2)C(=O)/C=C/c2cccs2)CC1	ZINC000013100724	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)cs1	ZINC000013109723	JK	Agent	Anodyne	 
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C	ZINC000013109851	JK	Agent	Reactive	 
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1	ZINC000013110099	JK	Agent	Anodyne	 
Cc1cc(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000013112841	JK	Agent	Clean	 
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000013114235	JK	Agent	Reactive	 
CCOC(=O)/C(C#N)=C/c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1	ZINC000013114380	JK	Agent	Reactive	 
Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4nnc(N)s4)c3C#N)C(C)(C)C2)o1	ZINC000013114711	JK	Agent	Mild	 
Cn1cnnc1SCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000013115976	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C	ZINC000013116034	JK	Agent	Anodyne	 
CCOc1ccc([C@@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3F)n2)cc1	ZINC000013117536	JK	Agent	Anodyne	 
CCOc1ccc([C@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3F)n2)cc1	ZINC000013117537	JK	Agent	Anodyne	 
C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)c1C	ZINC000013128985	JK	Agent	Mild	 
C=CCn1c(C)cc(C(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2Cl)c1C	ZINC000013129040	JK	Agent	Mild	 
CC[C@@H](C)c1ccc(N/C=C2/C(=O)N(c3ccc(OC)c(OC)c3)C(=O)c3ccccc32)cc1	ZINC000013129376	JK	Agent	Anodyne	 
CC[C@H](C)c1ccc(N/C=C2/C(=O)N(c3ccc(OC)c(OC)c3)C(=O)c3ccccc32)cc1	ZINC000013129377	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C/Nc3ccccc3Cc3ccccc3)c3ccccc3C2=O)cc1OC	ZINC000013129378	JK	Agent	Anodyne	 
O=C(CSc1cccc[n+]1[O-])N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	ZINC000013129474	JK	Agent	Anodyne	 
O=C(CSc1cccc[n+]1[O-])N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000013129476	JK	Agent	Anodyne	 
CN(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2ccccc2C#N)cc1	ZINC000013129514	JK	Agent	Mild	 
CC[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2C1	ZINC000013129612	JK	Agent	Reactive	 
CC[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2C1	ZINC000013129613	JK	Agent	Reactive	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1	ZINC000013129664	JK	Agent	Anodyne	 
CCN1C/C(=C/c2cn(CCC#N)nc2-c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000013129722	JK	Agent	Mild	 
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1C	ZINC000013129909	JK	Agent	Reactive	 
C[C@H](/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1)c1ccccc1	ZINC000013131548	JK	Agent	Mild	 
COc1ccc(/C=C(\C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1Br	ZINC000013131591	JK	Agent	Reactive	 
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)c1c(-c2ccccc2)n(CC)c2ccccc12	ZINC000013133720	JK	Agent	Reactive	 
Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1	ZINC000013134072	JK	Agent	Anodyne	 
Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1	ZINC000013134073	JK	Agent	Anodyne	 
O=C(Nc1cc(C(=O)N2CCS/C2=N\Cc2ccccc2)ccc1Cl)c1cccs1	ZINC000013134110	JK	Agent	Mild	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000013134329	JK	Agent	Mild	 
N#C/C(=C\c1ccccc1)C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1	ZINC000013134408	JK	Agent	Reactive	 
Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)c1	ZINC000013134975	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)c3ccccc3C2=O)cc1	ZINC000013135374	JK	Agent	Anodyne	 
CCOc1cc(/C=C/c2cc(-c3cccc(C)c3)n3c(nc4ccccc43)c2C#N)ccc1OC	ZINC000013137222	JK	Agent	Mild	 
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1	ZINC000013137422	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)nnc1-c1ccccc1	ZINC000013137742	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)nnc1-c1ccccc1	ZINC000013137743	JK	Agent	Anodyne	 
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1cccc2ncccc12	ZINC000013137802	JK	Agent	Reactive	 
O=C(CSc1ccccc1Cl)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000013137828	JK	Agent	Anodyne	 
O=C(CSc1ccccc1Cl)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000013137830	JK	Agent	Anodyne	 
N#Cc1c(/C=C/c2ccc(C(=O)O)cc2)cc(-c2ccc(Br)cc2)n2c1nc1ccccc12	ZINC000013138099	JK	Agent	Mild	 
O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl	ZINC000013139159	JK	Agent	Anodyne	 
O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1cccs1)n1nnnc1-c1ccccc1	ZINC000013141380	JK	Agent	Anodyne	 
CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc([C@@H](O)c2ccccc2)n1-c1ccccc1	ZINC000013142128	JK	Agent	Mild	
CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc([C@H](O)c2ccccc2)n1-c1ccccc1	ZINC000013142129	JK	Agent	Mild	
Cc1cccc(N2C(=O)/C(=C\c3ccc(OC(F)F)cc3OC(F)F)c3ccccc3C2=O)c1	ZINC000013145620	JK	Agent	Anodyne	 
Brc1ccc(/C=C/c2nc(NCc3ccccc3)c3c4c(sc3n2)CCCC4)cc1	ZINC000013145925	JK	Agent	Anodyne	 
Cn1cnnc1Sc1nc(/C=C/c2ccc(Br)cc2)nc2sc3c(c12)CCCC3	ZINC000013146099	JK	Agent	Anodyne	 
Cc1cccc(NC(=O)CN(C)c2nc(/C=C/c3ccccc3)nc3sc4c(c23)CCCC4)c1C	ZINC000013146349	JK	Agent	Anodyne	 
Cc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c(C)c1	ZINC000013147919	JK	Agent	Reactive	 
CC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1	ZINC000013148345	JK	Agent	Anodyne	 
Cc1ccc(C)c(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1	ZINC000013148644	JK	Agent	Reactive	 
Cc1ccc(NS(=O)(=O)c2ccc(N/N=C/c3cc(C)ccc3C)c([N+](=O)[O-])c2)c(C)c1	ZINC000013148975	JK	Agent	Mild	 
CCCCNc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)s1	ZINC000013148981	JK	Agent	Anodyne	 
CCCCNc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)s1	ZINC000013148983	JK	Agent	Anodyne	 
CN(c1ccccc1)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	ZINC000013149154	JK	Agent	Reactive	 
CCn1c2ccccc2c2cc(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)ccc21	ZINC000013149155	JK	Agent	Reactive	 
COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)/C=C/c3ccco3)n2)c2ccccc12	ZINC000013149740	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CCC2	ZINC000013150007	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)cc1Cl	ZINC000013150359	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2)NC1CCCC1	ZINC000013150536	JK	Agent	Anodyne	 
COc1cccc(CN(C)C(=O)/C=C/c2cn(Cc3ccccc3)nc2-c2cccs2)c1OC	ZINC000013163315	JK	Agent	Anodyne	 
CCN(C(C)=O)c1nc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)cs1	ZINC000013272774	JK	Agent	Anodyne	 
O=C(Oc1ccc2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	ZINC000013301039	JK	Agent	Mild	 
Cc1ccc([C@@]2(C(F)(F)F)N/C(=N/c3ccccc3)Oc3cc(Cl)c(Cl)cc3O2)cc1	ZINC000013301708	JK	Agent	Mild	 
Cc1ccc[n+](/C(C(=O)c2ccc(OC(F)F)cc2)=C(\S)Nc2ccc(SC(F)F)cc2)c1	ZINC000013301710	JK	Agent	Mild	 
Cc1ccc([C@]2(C(F)(F)F)N/C(=N/c3ccccc3)Oc3cc(Cl)c(Cl)cc3O2)cc1	ZINC000013301712	JK	Agent	Mild	 
CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccs2)[C@@H]3c2ccc(OCC)cc2)cc1	ZINC000013301821	JK	Agent	Anodyne	 
CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccs2)[C@H]3c2ccc(OCC)cc2)cc1	ZINC000013301825	JK	Agent	Anodyne	 
N#C/C(=C\c1cc(OC(=O)c2ccccc2Cl)cc2ccccc12)c1nnc2n1CCCCC2	ZINC000013302348	JK	Agent	Reactive	 
CCOc1ccc(N2C(=O)/C(=C\c3cn(CCC#N)c4ccccc34)c3ccccc3C2=O)cc1	ZINC000013302672	JK	Agent	Mild	 
FC(F)(F)/C(=N/C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)NCc1ccc(Cl)cc1	ZINC000013303469	JK	Agent	Mild	 
O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)Nc1cccc(F)c1	ZINC000013306286	JK	Agent	Clean	 
O=C(O)c1nc(Cl)c(Cl)c(N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1Cl	ZINC000013343902	JK	Agent	Mild	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2s1	ZINC000013344853	JK	Agent	Anodyne	 
CCN1C/C(=C/c2c(C)nn(-c3ccc(C)cc3C)c2Cl)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000013357055	JK	Agent	Anodyne	 
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccccc2)c(C)n1-c1ccc(F)cc1	ZINC000013479229	JK	Agent	Mild	 
Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2c(F)cccc2Cl)CC3)no1	ZINC000013523847	JK	Agent	Anodyne	 
Cc1cc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)CCC3)no1	ZINC000013524830	JK	Agent	Anodyne	 
C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(=O)Nc1ccccc1C#N	ZINC000013525427	JK	Agent	Mild	 
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(=O)Nc1ccccc1C#N	ZINC000013525431	JK	Agent	Mild	 
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1	ZINC000013615110	JK	Agent	Clean	 
Brc1cc(Br)c2c(c1)Oc1cc(Br)c(Br)cc1O2	ZINC000013776256	JK	Agent	Anodyne	 
C=CCOc1cc(Br)c(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC	ZINC000013914433	JK	Agent	Mild	 
COc1ccc(Br)c(/C=C2\C(=O)N(c3cccc4ccccc34)C(=O)N=C2O)c1	ZINC000013915190	JK	Agent	Clean	 
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1	ZINC000013915194	JK	Agent	Clean	 
COc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC	ZINC000013915610	JK	Agent	Mild	 
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1	ZINC000013940311	JK	Agent	Clean	 
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5cc(Cl)cc(Cl)c5)o4)C(=O)N=C3S2)cc1	ZINC000013940312	JK	Agent	Clean	 
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)SC2=S)cc1Cl	ZINC000013940329	JK	Agent	Clean	 
COc1cccc(C(=O)Oc2ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc2OC)c1	ZINC000013940333	JK	Agent	Mild	 
COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3ccc4ccccc4c32)cc1	ZINC000013940369	JK	Agent	Reactive	 
COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3ccc4ccccc4c32)cc1	ZINC000013940370	JK	Agent	Reactive	 
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)c1	ZINC000013940404	JK	Agent	Mild	 
CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccc(Br)cc32)cc1	ZINC000013940406	JK	Agent	Anodyne	 
CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccc(Br)cc32)cc1	ZINC000013940407	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1	ZINC000013940416	JK	Agent	Clean	 
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	ZINC000013940449	JK	Agent	Clean	 
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	ZINC000013940450	JK	Agent	Clean	 
CC1=Nn2c(nnc2C(F)F)S/C1=C\c1ccc(COc2cccc(Br)c2)o1	ZINC000013958262	JK	Agent	Anodyne	 
CC1=Nn2c(nnc2C(F)F)S/C1=C\c1ccc(COc2cccc(Cl)c2Cl)o1	ZINC000013958274	JK	Agent	Anodyne	 
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3)s2)CC1	ZINC000014021388	JK	Agent	Anodyne	 
O=C(Nc1ccc2c(c1)OCCO2)/C(=C/c1ccccc1C(F)(F)F)C(=O)c1ccccc1	ZINC000014065886	JK	Agent	Mild	 
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)c1c[nH]c2ccccc12	ZINC000014070304	JK	Agent	Anodyne	 
C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl	ZINC000014091865	JK	Agent	Mild	 
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc2cc(-c3ccccc3)ccc2o1	ZINC000014093523	JK	Agent	Anodyne	 
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc2cc(-c3ccccc3)ccc2o1	ZINC000014093524	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2ccc(Br)cc2)cs1	ZINC000014095486	JK	Agent	Anodyne	 
C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccc(C(C)C)cc1	ZINC000014102531	JK	Agent	Mild	 
CCOc1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc32)cc(Cl)c1O	ZINC000014111230	JK	Agent	Anodyne	 
C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@@]2(C=C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]21C)OC3=O	ZINC000014128418	JK	Agent	Anodyne	 
CCc1oc2ccccc2c1CN(C)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1	ZINC000014129603	JK	Agent	Anodyne	 
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C/c1cccc(Oc2ccccc2)c1	ZINC000014141447	JK	Agent	Anodyne	 
Cc1nn(C)c(C)c1/C=C/C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	ZINC000014157589	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)cc1	ZINC000014166035	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1	ZINC000014166038	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1	ZINC000014166040	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)cc1	ZINC000014166045	JK	Agent	Anodyne	 
COc1cccc(/C=C/C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1OC	ZINC000014166640	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)Cc1cnn(Cc2ccccc2)c1	ZINC000014183361	JK	Agent	Anodyne	 
COc1cccc(N(C(C)=O)c2nc(/C=C3\CCn4c3nc3ccc(Cl)cc3c4=O)cs2)c1	ZINC000014189490	JK	Agent	Anodyne	 
Cc1nn(Cc2cccc3ccccc23)c(C)c1NS(=O)(=O)c1ccc(Br)cc1	ZINC000014226002	JK	Agent	Anodyne	 
Cc1ccc(/C=C/c2nc(=S)n(CN(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)[nH]2)o1	ZINC000014234212	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1)c1cccc(C)c1C	ZINC000014247378	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cs1)c1ccccc1F	ZINC000014247427	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cs1	ZINC000014253065	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cs1)c1ccccc1F	ZINC000014253070	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cs1	ZINC000014255347	JK	Agent	Anodyne	 
O=[N+]([O-])c1ccc(-c2ccc(/C=C/c3nc4ccc([N+](=O)[O-])cc4s3)o2)c(Br)c1	ZINC000014356674	JK	Agent	Bother	 
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)CC2	ZINC000014356817	JK	Agent	Bother	 
COc1ccc2c(-c3ccccc3)cc(SCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)nc2c1	ZINC000014356845	JK	Agent	Mild	 
N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000014356889	JK	Agent	Reactive	 
O=c1[nH]c(/C(Cl)=C/c2cc(Br)ccc2F)nc2scc(-c3cccs3)c12	ZINC000014357011	JK	Agent	Anodyne	 
Cc1cc(C)cc(N/C(S)=C(/C(=O)c2cc(C)n(Cc3cccs3)c2C)[n+]2ccccc2)c1	ZINC000014357067	JK	Agent	Mild	 
Cc1ccccc1OCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000014357986	JK	Agent	Anodyne	 
Cc1ccccc1OCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000014357989	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000014358095	JK	Agent	Clean	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCc1ccc(C(C)(C)C)cc1	ZINC000014358332	JK	Agent	Anodyne	 
C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(=O)NC1CCCC1	ZINC000014358657	JK	Agent	Anodyne	 
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)C(=O)NC1CCCC1	ZINC000014358659	JK	Agent	Anodyne	 
O=C(OCc1csc(-c2ccccc2)n1)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2	ZINC000014358702	JK	Agent	Anodyne	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)OCC(=O)c1c[nH]c2ccccc12	ZINC000014358780	JK	Agent	Anodyne	 
O=C(/C(=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1)c1ccccc1	ZINC000014358819	JK	Agent	Mild	 
Cn1cccc1C(=O)OCC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000014358829	JK	Agent	Anodyne	 
Cn1cccc1C(=O)OCC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000014358833	JK	Agent	Anodyne	 
O=C(O)CC/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2s1	ZINC000014359111	JK	Agent	Bother	 
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1	ZINC000014359115	JK	Agent	Reactive	 
C=CCOc1ccc(/C=C2\CC(C#N)(c3ccccc3)C/C(=C\c3ccc(OCC=C)cc3)C2=O)cc1	ZINC000014359118	JK	Agent	Mild	 
COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000014359122	JK	Agent	Mild	 
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)c1C	ZINC000014359124	JK	Agent	Reactive	 
CCCCOc1ccc(/C=C/c2cc(-c3ccc(Cl)cc3)n3c(nc4ccccc43)c2C#N)cc1	ZINC000014359366	JK	Agent	Mild	 
Cc1nc(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)nc(C)c1C	ZINC000014359463	JK	Agent	Anodyne	 
Cc1nc(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)nc(C)c1C	ZINC000014359467	JK	Agent	Anodyne	 
COc1cc(/C=C/c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)ccc1OCCC(C)C	ZINC000014359547	JK	Agent	Anodyne	 
Cc1ccc(Sc2ccc(/C=C/c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)cc2[N+](=O)[O-])cc1	ZINC000014359645	JK	Agent	Bother	 
COc1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2/N=C/c2ccccc2[N+](=O)[O-])cc1	ZINC000014359830	JK	Agent	Mild	 
CC(C)(C)c1cc[n+](/C(C(=O)c2ccc3c(c2)OCCO3)=C(/S)Nc2ccccc2F)cc1	ZINC000014359965	JK	Agent	Mild	 
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000014360074	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	ZINC000014360219	JK	Agent	Reactive	 
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4cc(Cl)ccc43)o2)cc1	ZINC000014360359	JK	Agent	Anodyne	 
O=[N+]([O-])c1ccc2nc(/C=C/c3sc(N4CCOCC4)nc3-c3ccccc3)sc2c1	ZINC000014360524	JK	Agent	Bother	 
COc1cc(OC)cc(-c2cc(/C=C/c3ccccc3C(F)(F)F)c(C#N)c3nc4ccccc4n23)c1	ZINC000014361419	JK	Agent	Mild	 
O=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)NC1CCCC1	ZINC000014361465	JK	Agent	Anodyne	 
N#Cc1c(/C=C/c2ccc(-c3ccccc3)cc2)cc(-c2cccc(Cl)c2)n2c1nc1ccccc12	ZINC000014361474	JK	Agent	Mild	 
N#Cc1c(/C=C/c2ccc3c(c2)OCCO3)cc(-c2cccc(Cl)c2)n2c1nc1ccccc12	ZINC000014361475	JK	Agent	Mild	 
CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	ZINC000014584577	JK	Agent	Anodyne	in-man endogenous
COc1ccc(-c2nnc([C@@H](C)OC(=O)/C=C/c3c(C)nn(Cc4ccc(C)cc4)c3C)o2)cc1	ZINC000014640663	JK	Agent	Anodyne	 
COc1ccc(-c2nnc([C@H](C)OC(=O)/C=C/c3c(C)nn(Cc4ccc(C)cc4)c3C)o2)cc1	ZINC000014640666	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)COc2ccccc2Cl)sc(C(=O)Nc2ccccc2)c1C	ZINC000014659256	JK	Agent	Anodyne	 
N#CCCn1cc(/C=C/C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c2ccccc21	ZINC000014673281	JK	Agent	Mild	 
CC1(C)C=Cc2c(-c3c4c(c5ccccc5c3O)OC(C)(C)C=C4)c(O)c3ccccc3c2O1	ZINC000014721358	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000014862863	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000014862867	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)Cc2c[nH]c3ccccc23)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000014862870	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000014862875	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)Cc2ccc(F)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000014862877	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(=O)COc2ccccc2OC)sc(C(=O)Nc2ccc(C)cc2C)c1C	ZINC000014862889	JK	Agent	Anodyne	 
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)c1ccccc1	ZINC000014897796	JK	Agent	Anodyne	 
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1)c1ccccc1	ZINC000014897797	JK	Agent	Anodyne	 
C/C1=C\[C@@H](C)C[C@@H](C)[C@@H](Cc2cnco2)OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)[C@@H](Cc2cnco2)OC1=O	ZINC000014930020	JK	Agent	Anodyne	 
N[C@H](Cc1ccccc1)C[C@@H](O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1	ZINC000146664234	JK	Agent	Anodyne	 
O=C(/C=C/[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)CCc1ccccc1	ZINC000146932052	JK	Agent	Mild	 
C=CC[C@](C)(C[C@H](c1cccc(Cl)c1)[C@@H](O)c1ccc(Cl)cc1)C(=O)N[C@H](CO)C(C)C	ZINC000147507338	JK	Agent	Anodyne	 
C=CC[C@](C)(C[C@H](c1cccc(Cl)c1)[C@@H](O)c1ccc(Cl)cc1)C(=O)N[C@@H](CO)C(C)C	ZINC000147507432	JK	Agent	Anodyne	 
COC(=O)c1sc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2	ZINC000148875848	JK	Agent	Anodyne	 
COC(=O)c1sc(C2=NO[C@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2	ZINC000148876002	JK	Agent	Anodyne	 
Brc1ccc2ccc3ccc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc1c2c34	ZINC000149181161	JK	Agent	Anodyne	 
Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C	ZINC000001548961	JK	Agent	Reactive	 
COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c(OC)c1OC	ZINC000001860384	JK	Agent	Reactive	 
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)[nH]c2c(OC)c1OC	ZINC000001860767	JK	Agent	Reactive	 
CCCCCCCCc1ccc(-c2ccc(/N=C3/C(=O)Nc4ccc(OC(F)(F)F)cc43)cc2)cc1	ZINC000001878727	JK	Agent	Mild	 
O=[N+]([O-])C(=C(\SCc1ccccc1)N1CCCCC1)/C(Cl)=C(/Cl)Br	ZINC000001883416	JK	Agent	Anodyne	
COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000001944547	JK	Agent	Anodyne	 
COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000001944548	JK	Agent	Anodyne	 
Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1	ZINC000001947824	JK	Agent	Mild	 
O=C(CSCc1c(Cl)cccc1Cl)NN=C/C(Br)=C/c1ccccc1	ZINC000015022544	JK	Agent	Anodyne	 
O=[N+]([O-])c1cc(Br)cc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1O	ZINC000015134298	JK	Agent	Mild	 
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccccc1	ZINC000015162695	JK	Agent	Reactive	 
CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1ccccc1	ZINC000015162698	JK	Agent	Reactive	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/C(=O)c2ccc(Br)cc2)cs1	ZINC000015187916	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cs1)c1ccc(F)cc1F	ZINC000015187966	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cs1	ZINC000015188143	JK	Agent	Anodyne	 
FC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2)OC(c2ccc(Cl)cc2Cl)=N1	ZINC000015276952	JK	Agent	Anodyne	 
CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@@]21C(=O)c1ccccc1	ZINC000015305843	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)N=C2SCC(=O)c2ccccc2)cc1	ZINC000015481581	JK	Agent	Anodyne	 
CCOc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1OCC(C)C	ZINC000015544547	JK	Agent	Anodyne	 
CCCOc1c(Br)cc(Br)cc1/C=C1\Cc2c(O)cccc2C1=O	ZINC000015553941	JK	Agent	Mild	 
COc1ccc([C@@H](CC(=O)Nc2ccc(Br)cc2F)N2Cc3ccccc3C2=O)cc1	ZINC000015720928	JK	Agent	Anodyne	 
COc1ccc([C@H](CC(=O)Nc2ccc(Br)cc2F)N2Cc3ccccc3C2=O)cc1	ZINC000015720930	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)C3(CCCCC3)[C@@H](N3CCOCC3)/C2=N\c2c(C)cc(C)cc2C)cc1	ZINC000015729260	JK	Agent	Mild	 
Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCOCC3)/C2=N\c2c(C)cc(C)cc2C)cc1	ZINC000015729261	JK	Agent	Mild	 
C[C@@H]1CCCCN1C(=O)Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccc(F)cc3)c12	ZINC000015729632	JK	Agent	Anodyne	 
C[C@H]1CCCCN1C(=O)Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccc(F)cc3)c12	ZINC000015729633	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(=S)sc(-c3ccc(Cl)cc3Cl)c2n1Cc1ccccc1	ZINC000015729635	JK	Agent	Anodyne	 
CC1CCN(C(=O)Cn2c(=O)c3ccccc3n3c(=S)sc(-c4cccc(Cl)c4)c23)CC1	ZINC000015729641	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(=S)sc(-c3cccc(Cl)c3)c2n1CCOc1ccccc1	ZINC000015729644	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(=S)sc(-c3cccc(C(F)(F)F)c3)c2n1Cc1ccccc1	ZINC000015729650	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3C)c3c2C(C)=CC(=O)[C@@H]3CC(=O)NCCC(C)C)cc1	ZINC000015732122	JK	Agent	Mild	 
COc1ccc(-c2nn(-c3ccccc3C)c3c2C(C)=CC(=O)[C@@H]3CC(=O)Nc2ccccc2C)cc1	ZINC000015732124	JK	Agent	Mild	 
O=C(c1ccc(Br)cc1)N(C(=O)c1ccc(Br)cc1)c1ccccn1	ZINC000015776330	JK	Agent	Anodyne	 
COc1ccc(/C(=N\c2ccc(Cl)cc2)NN=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)cc1OC	ZINC000015778093	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)cc1	ZINC000015905891	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(C(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)cc1	ZINC000015905893	JK	Agent	Anodyne	 
O=C(/C(=C/c1ccc(-c2ccc(SC(F)F)cc2)o1)c1nc2ccccc2s1)c1ccccc1	ZINC000015905965	JK	Agent	Mild	 
C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)C(C)(C)C)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	ZINC000015906020	JK	Agent	Anodyne	 
O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	ZINC000015906076	JK	Agent	Clean	 
C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(\C#N)c1nnc2n1CCCCC2	ZINC000015906406	JK	Agent	Reactive	 
N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc(O)c2cc(I)ccc2n1	ZINC000015906501	JK	Agent	Reactive	 
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc3sc4ccccc4c3c2)cs1	ZINC000015906555	JK	Agent	Reactive	 
Brc1ccc(/C=C2\CCCc3c2nc2ncnn2c3-c2ccc(Br)cc2)cc1	ZINC000015906602	JK	Agent	Anodyne	 
O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000015906737	JK	Agent	Anodyne	 
O=C(COc1ccc2ccccc2c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000015906739	JK	Agent	Anodyne	 
Cc1c(C2=CCCCC2)c2ccccn2c1/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000015906776	JK	Agent	Mild	 
Cc1cc2ccccn2c1C(=O)c1ccc(N/N=C/c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	ZINC000015910509	JK	Agent	Mild	 
O=C(O)C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nc2ccccc2s1	ZINC000015910971	JK	Agent	Anodyne	 
CCCC/N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1/N=C(\C)c1ccc(C(C)(C)C)cc1	ZINC000015911313	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(CO)c1)c1ccc(Cl)s1	ZINC000015911621	JK	Agent	Mild	 
CCC(C)(C)[C@@H]1C/C(=C\c2c(Cl)cccc2Cl)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000015911859	JK	Agent	Anodyne	 
CCC(C)(C)[C@H]1C/C(=C\c2c(Cl)cccc2Cl)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000015911861	JK	Agent	Anodyne	 
O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cn(-c3ccccc3)nc1-c1cccnc1)CCC2	ZINC000015912160	JK	Agent	Anodyne	 
COc1cc(/C=C2\N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OCc1ccc(Cl)cc1	ZINC000015912240	JK	Agent	Anodyne	 
Cc1c(CSc2nccn2C)c(C)c(CSc2nccn2C)c(C)c1CSc1nccn1C	ZINC000015931004	JK	Agent	Anodyne	 
CC(C)c1ccc(C=NNC(=O)CSc2nnc([C@@H](C)Nc3cccc(Cl)c3)n2C)cc1	ZINC000015931508	JK	Agent	Anodyne	 
CC(C)c1ccc(C=NNC(=O)CSc2nnc([C@H](C)Nc3cccc(Cl)c3)n2C)cc1	ZINC000015931510	JK	Agent	Anodyne	 
COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)c(Br)cc1O	ZINC000015931962	JK	Agent	Mild	 
CC(C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CCC2	ZINC000015977990	JK	Agent	Anodyne	 
C[C@@H]1C/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000015978014	JK	Agent	Anodyne	 
C[C@H]1C/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000015978016	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1ccc(Br)cc1	ZINC000015978157	JK	Agent	Reactive	 
Cc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)N=C2SCC(=O)N2CCCC2)cc1	ZINC000015978269	JK	Agent	Anodyne	 
Cc1ccc[n+](/C(C(=O)c2ccc(C3CCCCC3)cc2)=C(/S)Nc2cccc(C(F)(F)F)c2)c1	ZINC000015978429	JK	Agent	Mild	 
COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1	ZINC000015978609	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000015978654	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000015978890	JK	Agent	Reactive	 
CC(C)(C)c1ccc(Oc2ccc(/C=C(\CC(=O)O)c3nc4ccccc4s3)cc2[N+](=O)[O-])cc1	ZINC000015978933	JK	Agent	Bother	 
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)[nH]c(=O)c23)C1	ZINC000015979025	JK	Agent	Reactive	 
C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)[nH]c(=O)c23)C1	ZINC000015979028	JK	Agent	Reactive	 
CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)NCc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1	ZINC000015979727	JK	Agent	Reactive	 
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1	ZINC000015980545	JK	Agent	Reactive	 
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1	ZINC000015980547	JK	Agent	Reactive	 
C=CC/N=c1\scc(-c2cccc(Br)c2)n1/N=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000015980586	JK	Agent	Mild	 
CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(OC)cc2)CC3)cc1	ZINC000015980643	JK	Agent	Anodyne	 
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1c(C)cc(C(C)(C)C)cc1C	ZINC000015980698	JK	Agent	Reactive	 
COc1ccc(-c2csc(/C=C/c3c(C)nn(-c4ccc(Cl)cc4)c3Cl)n2)cc1OC	ZINC000015980772	JK	Agent	Anodyne	 
COc1cccc(/C=C(/C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc2)c1	ZINC000015980948	JK	Agent	Anodyne	 
COc1cccc(/C=C(/C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc2)c1	ZINC000015980950	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C/c3cc(Br)c(O)c(Br)c3)n2)cc1	ZINC000015981795	JK	Agent	Anodyne	 
O=C(CN1CCCC1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1	ZINC000015982067	JK	Agent	Anodyne	 
O=C(CN1CCCC1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1	ZINC000015982071	JK	Agent	Anodyne	 
COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1	ZINC000015982211	JK	Agent	Clean	 
Cc1cc2ccccn2c1C(=O)c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000016035394	JK	Agent	Mild	 
Cc1cc2nc(/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)sc2cc1C	ZINC000016035427	JK	Agent	Bother	 
Cc1cc2nc(/C=C/c3ccc(Oc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c3)sc2cc1C	ZINC000016035561	JK	Agent	Bother	 
COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl	ZINC000016035640	JK	Agent	Reactive	 
CCCCCC1=C(/C=C/c2ccc(C(=O)OC)cc2)C/C(=C\c2ccc(C(=O)OC)cc2)C1=O	ZINC000016035721	JK	Agent	Mild	 
C[C@@H](OC(=O)/C(=C/c1cccs1)c1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000016035769	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C(=C/c1cccs1)c1cccs1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000016035770	JK	Agent	Anodyne	 
COc1cc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)ccc1OC(F)F	ZINC000016043640	JK	Agent	Anodyne	 
COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)cc(Br)c1OCC(=O)N(C)C	ZINC000016043692	JK	Agent	Anodyne	 
Cc1c(/C=C(\CCC(=O)O)c2nc3ccccc3s2)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000016043693	JK	Agent	Anodyne	 
CCOc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1OCC(=O)N1CCOCC1	ZINC000016043743	JK	Agent	Anodyne	 
COc1ccc(-c2csc3nc(/C=C/c4ccccc4C(F)(F)F)[nH]c(=O)c23)cc1OC	ZINC000016043788	JK	Agent	Anodyne	 
O=C(CC(c1ccccc1)c1ccccc1)Oc1ccccc1/C=C/C(=O)c1cc2ccccc2o1	ZINC000016044031	JK	Agent	Mild	 
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C(\C#N)c1nnc2n1CCCCC2	ZINC000016044166	JK	Agent	Reactive	 
CCCCOc1ccc(/C=C(\Cl)c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc1	ZINC000016044257	JK	Agent	Anodyne	 
CCOc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)cc(Br)c1OCC(N)=O	ZINC000016044258	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2	ZINC000016044324	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2	ZINC000016044325	JK	Agent	Anodyne	 
Cc1cc2oc(=O)cc(COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)c2cc1Cl	ZINC000016044330	JK	Agent	Reactive	 
CCCOc1c(Br)cc(/C=C2\C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1OC	ZINC000016044921	JK	Agent	Anodyne	 
CCCOc1c(Br)cc(/C=C2\C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1OC	ZINC000016044922	JK	Agent	Anodyne	 
O=c1[nH]c(/C=C/c2cc(Br)c(O)c(Br)c2)nc2sc3c(c12)CCCC3	ZINC000016044925	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)cc(OC)c1OC	ZINC000016050459	JK	Agent	Anodyne	 
CCCOc1ccc(Br)cc1/C=C(/C#N)S(=O)(=O)c1ccc(Br)cc1	ZINC000016050977	JK	Agent	Reactive	 
Cc1sc2nc(/C(C#N)=C/c3cn(Cc4ccccc4)nc3-c3cccnc3)nc(O)c2c1C	ZINC000016051182	JK	Agent	Reactive	 
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)cc1Cl	ZINC000016091161	JK	Agent	Anodyne	 
O=C1/C(=C\c2ccc(F)cc2)N=C(SCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1	ZINC000016091173	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2SCc2ccc(Cl)cc2)c(C)c1	ZINC000016091175	JK	Agent	Anodyne	 
Cc1c(C(=O)O)sc2nc(/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)[nH]c(=O)c12	ZINC000016091329	JK	Agent	Anodyne	 
CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C	ZINC000163827092	JK	Agent	Anodyne	 
CCC(C)(C)c1ccc(OCCCC(=O)O/N=C(\N)c2cccc([N+](=O)[O-])c2)c(C(C)(C)CC)c1	ZINC000017083988	JK	Agent	Mild	
Cc1cc(Oc2ccc(C(F)(F)F)cc2NC(=O)NC(Cl)=C(Cl)Cl)cc(C)c1Cl	ZINC000002143717	JK	Agent	Anodyne	 
O=C(Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F)C(Cl)=C(Cl)Cl	ZINC000002152096	JK	Agent	Anodyne	 
COc1cc(C2SCCS2)cc(Br)c1Oc1nc2cc(Cl)ccc2s1	ZINC000002157998	JK	Agent	Anodyne	 
Clc1nc(Cl)nc(N(c2ccc(C3CCCCC3)cc2)c2nc(Cl)nc(Cl)n2)n1	ZINC000002161623	JK	Agent	Anodyne	 
N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@@H]1c1cccc(F)c1	ZINC000002186625	JK	Agent	Reactive	 
N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@H]1c1cccc(F)c1	ZINC000002186627	JK	Agent	Reactive	 
CCN1/C(=C\C=C2/SC(=S)N(c3ccccc3)C2=O)C(C)(C)c2cc(-c3ccccc3)ccc21	ZINC000002187857	JK	Agent	Clean	 
CC(C)(C)C1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1	ZINC000002190333	JK	Agent	Mild	 
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)CC1	ZINC000002299291	JK	Agent	Clean	 
CCN1C(=O)/C(=C2\C(=O)N3c4c(cc(OC(=O)c5cccs5)cc42)C(C)=CC3(C)C)SC1=S	ZINC000002349444	JK	Agent	Clean	 
O=C(Nc1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(F)ccc([N+](=O)[O-])c1F	ZINC000002380608	JK	Agent	Bother	 
Clc1cccc(Cl)c1C[n+]1ccc(-c2cc[n+](Cc3c(Cl)cccc3Cl)cc2)cc1	ZINC000002387826	JK	Agent	Anodyne	 
N=C1S/C(=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)C(=O)N1c1nccs1	ZINC000020077023	JK	Agent	Anodyne	 
COc1cc(CN/C(C)=C/N=C2/N=C(Nc3cc(Cl)ccc3Cl)S2)cc(OC)c1OC	ZINC000020157323	JK	Agent	Mild	
COc1cc(CN/C(C)=C/N=C2/N=C(Nc3ccc(Cl)cc3Cl)S2)cc(OC)c1OC	ZINC000020157326	JK	Agent	Mild	
CC(/C=C\c1ccccc1F)=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000020158933	JK	Agent	Reactive	
C=CC/N=C(/SCC(=O)c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1ccccc1	ZINC000020160808	JK	Agent	Mild	
CC(=O)C1=NN(c2ccccc2)[C@@](NN(c2ccccc2)c2nc3ccccc3s2)(C(C)=O)S1	ZINC000020161575	JK	Agent	Anodyne	
CC(=O)C1=NN(c2ccccc2)[C@](NN(c2ccccc2)c2nc3ccccc3s2)(C(C)=O)S1	ZINC000020161578	JK	Agent	Anodyne	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nnc(NC(=O)c4ccccc4)s3)o2)cc1	ZINC000020169015	JK	Agent	Reactive	 
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OC(=O)c1cccs1	ZINC000020175884	JK	Agent	Reactive	
CCOc1cc(/C=N/OC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1C	ZINC000020176024	JK	Agent	Mild	
CCOc1cc(/C=N/OC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1C	ZINC000020176026	JK	Agent	Mild	
CCOc1cc(/C=N/OC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OCc1ccccc1C	ZINC000020176028	JK	Agent	Mild	
CCOc1cc(/C=N/OC(=O)c2ccccc2Br)ccc1OCc1ccccc1C	ZINC000020176032	JK	Agent	Mild	
CCOc1ccc(CCNC(=S)N(Cc2cccnc2)C[C@H]2CC=CCC2)c(OCC)c1	ZINC000020176144	JK	Agent	Anodyne	
CCOc1ccc(CCNC(=S)N(Cc2cccnc2)C[C@@H]2CC=CCC2)c(OCC)c1	ZINC000020176146	JK	Agent	Anodyne	
CCOc1ccc(/N=C/c2cc(Br)ccc2NS(=O)(=O)c2ccc(C)cc2)cc1	ZINC000020176296	JK	Agent	Mild	
CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2CCc2ccc(OC)c(OC)c2)cc1	ZINC000020176314	JK	Agent	Anodyne	 
CCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2Cc2ccc(Cl)cc2)cc1	ZINC000020176324	JK	Agent	Anodyne	 
CCOc1ccc(CN(CCc2ccccc2)C(=S)NC2CC(C)(C)NC(C)(C)C2)cc1	ZINC000020176465	JK	Agent	Anodyne	
CCOc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1	ZINC000020176493	JK	Agent	Clean	
CCOc1ccccc1CN(CCCN1CCOCC1)C(=S)Nc1cc(Cl)ccc1Cl	ZINC000020190124	JK	Agent	Anodyne	
CCOc1ccccc1NC(=S)N(Cc1ccccc1)Cc1ccc(Br)cc1	ZINC000020190258	JK	Agent	Anodyne	
CCOc1cnc(C(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)o1	ZINC000020190287	JK	Agent	Reactive	 
CCN1C=Cc2cc(C)ccc2/C1=C\C1=C/C(=C/c2sc3ccccc3[n+]2CC)CC(C)(C)C1	ZINC000020191053	JK	Agent	Anodyne	
CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)N(C)C2=O)c1	ZINC000020191816	JK	Agent	Clean	 
CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C(O)=NC2=S)cc1	ZINC000020192370	JK	Agent	Clean	 
CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(O)=NC2=S)cc1	ZINC000020192379	JK	Agent	Clean	 
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3OC(C)C)c3cccc(Cl)c3n2)cc1	ZINC000020212760	JK	Agent	Reactive	
CC/C(=N\NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C)s1	ZINC000020212787	JK	Agent	Reactive	
CCn1c(-c2ccc(Br)s2)cs/c1=N\c1ccc(Oc2ccccc2)cc1	ZINC000020215456	JK	Agent	Anodyne	 
CN(C)c1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)nc4ccc5ccccc5c34)cc2)cc1	ZINC000020215656	JK	Agent	Mild	
CN(C)c1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(Br)cc2)cc1	ZINC000020215715	JK	Agent	Clean	
COC(=O)COc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc23)cc1	ZINC000020220540	JK	Agent	Anodyne	
COc1cc(OC)cc([C@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)c1	ZINC000020228146	JK	Agent	Mild	
COc1cc(CN(Cc2cccnc2)C(=S)Nc2ccccc2C(F)(F)F)cc(OC)c1OC	ZINC000020228304	JK	Agent	Anodyne	
COc1cc(-c2noc(-c3ccc(CSc4nc5ccccc5o4)cc3)n2)cc(OC)c1OC	ZINC000020228340	JK	Agent	Anodyne	
COc1cc(/C=N/OC(=O)c2ccccc2Br)ccc1OCc1c(F)cccc1Cl	ZINC000020228630	JK	Agent	Mild	
COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21	ZINC000020247799	JK	Agent	Clean	 
COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21	ZINC000020247802	JK	Agent	Clean	 
COc1ccc(CCn2c(-c3ccc(Cl)s3)cs/c2=N\c2cccc3ccccc23)cc1	ZINC000020248512	JK	Agent	Anodyne	 
COc1ccc(CN(Cc2ccccn2)C(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000020248599	JK	Agent	Anodyne	
COc1ccc(CN(Cc2ccccn2)C(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1	ZINC000020248602	JK	Agent	Anodyne	
COc1ccc(CN(Cc2ccccn2)C(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1	ZINC000020248605	JK	Agent	Anodyne	
C=CCn1c(COc2cccc3ccccc23)nnc1SCc1ccc(OC)c(Br)c1	ZINC000020258430	JK	Agent	Mild	
COc1ccc(/C=N/NC(=O)CCCNc2ccc(Cl)cc2)cc1CN1CCCc2ccccc21	ZINC000020258491	JK	Agent	Reactive	 
COc1cccc(CN(Cc2ccccc2)C(=S)Nc2ccc(Br)cc2)c1OC	ZINC000020274596	JK	Agent	Anodyne	
O=C(CCCSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(F)cc2)o1	ZINC000020291504	JK	Agent	Reactive	
C=CCc1c(C)nc(SCC(=O)Nc2cc(Br)ccc2Br)c(C#N)c1C	ZINC000020294583	JK	Agent	Mild	
Cc1c(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c2ccccc2n1CC(N)=O	ZINC000020295224	JK	Agent	Mild	 
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc2ccccc2c1	ZINC000020311301	JK	Agent	Reactive	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1	ZINC000020311307	JK	Agent	Reactive	
Cc1cc(OCC(=O)O/N=C(\N)c2ccc(OCc3ccccc3Cl)cc2)cc(C)c1Cl	ZINC000020352303	JK	Agent	Mild	
Cc1cc(NC(=S)N(Cc2ccccc2)Cc2ccc(Br)cc2)ccc1Cl	ZINC000020352415	JK	Agent	Anodyne	
C/C(=N/NC(=O)[C@@H](C)Nc1ccc(I)c(C)c1)c1ccc2ccccc2c1	ZINC000020352475	JK	Agent	Reactive	
C/C(=N/NC(=O)[C@H](C)Nc1ccc(I)c(C)c1)c1ccc2ccccc2c1	ZINC000020352477	JK	Agent	Reactive	
Cc1cc(NCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1I	ZINC000020352487	JK	Agent	Reactive	 
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)o1	ZINC000020352846	JK	Agent	Mild	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2C2CCCCC2)o1	ZINC000020352849	JK	Agent	Reactive	 
Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)c1	ZINC000020356964	JK	Agent	Anodyne	
COc1c(I)cc(Cl)cc1/C=C1/C=C(c2ccc(C)cc2)OC1=O	ZINC000020366826	JK	Agent	Clean	 
Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1	ZINC000020367477	JK	Agent	Anodyne	
Cc1ccc(N(Cc2c(O)ccc3ccccc23)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000020367479	JK	Agent	Clean	
Cc1ccc(/N=C2\NC(=O)/C(=C/c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)S2)cc1	ZINC000020367777	JK	Agent	Mild	
Cc1ccc(-n2c(CCC(=O)N/N=C/c3ccc(N(C)C)cc3)ccc2-c2ccccc2)cc1	ZINC000020394269	JK	Agent	Reactive	 
COc1cc(CN(Cc2ccco2)C(=S)Nc2ccc(C)c(Cl)c2)cc(OC)c1OC	ZINC000020395408	JK	Agent	Anodyne	
Cc1cccc(CN(CCCN2CCOCC2)C(=S)Nc2ccc(Cl)cc2C(F)(F)F)c1	ZINC000020408070	JK	Agent	Anodyne	
Cc1cccc(COc2ccccc2/C=C(C#N)/C(O)=N/c2nc(-c3ccccc3)cs2)c1	ZINC000020408107	JK	Agent	Reactive	
COc1ccc(/N=C2\NC(=O)/C(=C/c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)S2)cc1	ZINC000020408260	JK	Agent	Mild	
Cc1ccccc1COc1ccccc1[C@@H](CC(=O)c1ccc(Br)cc1)C(C#N)C#N	ZINC000020418654	JK	Agent	Mild	
Cc1ccccc1COc1ccccc1[C@H](CC(=O)c1ccc(Br)cc1)C(C#N)C#N	ZINC000020418655	JK	Agent	Mild	
Cc1ccccc1COc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(S)c1C#N	ZINC000020418656	JK	Agent	Mild	 
CC(=O)C1=C(C)Nc2sc(C(=O)c3cc(Cl)ccc3Cl)c(N)c2[C@@H]1c1sccc1C	ZINC000020426899	JK	Agent	Mild	
CC(=O)C1=C(C)Nc2sc(C(=O)c3cc(Cl)ccc3Cl)c(N)c2[C@H]1c1sccc1C	ZINC000020426903	JK	Agent	Mild	
CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2[C@@H]1c1sccc1C	ZINC000020426907	JK	Agent	Mild	
CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc([N+](=O)[O-])cc3)c(N)c2[C@H]1c1sccc1C	ZINC000020426911	JK	Agent	Mild	
O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@@H]1CC(F)(F)C1(F)F	ZINC000020428734	JK	Agent	Anodyne	
O=C(Nc1cc(Br)c(Br)c(Br)c1)[C@H]1CC(F)(F)C1(F)F	ZINC000020428736	JK	Agent	Anodyne	
Oc1c(C23CC4CC(CC(C4)C2)C3)cc(C23CC4CC(CC(C4)C2)C3)cc1C12CC3CC(CC(C3)C1)C2	ZINC000020428757	JK	Agent	Anodyne	
Fc1cccc(Cl)c1/C=N/n1cnn2c(SCc3ccc(Cl)cc3Cl)nnc12	ZINC000020428896	JK	Agent	Mild	
S=C(Nc1cccc(Cl)c1Cl)N(CCCN1CCOCC1)Cc1ccc(Cl)cc1	ZINC000020429018	JK	Agent	Anodyne	
O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)c(O)c(Br)c2)c(C(F)(F)F)c1	ZINC000020436436	JK	Agent	Mild	 
O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)C(=S)N=C3O)o2)cc1	ZINC000020436916	JK	Agent	Clean	 
O=[N+]([O-])c1ccc(CSc2nc3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3s2)cc1	ZINC000020457215	JK	Agent	Mild	
N#Cc1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2c(c1-c1ccc(Cl)cc1)CCCC2	ZINC000020457246	JK	Agent	Mild	
O=S(=O)(N/N=C/c1cc(OCc2ccc(F)cc2)ccc1Br)c1ccc(Cl)cc1	ZINC000020457915	JK	Agent	Mild	 
O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)cc1	ZINC000020457959	JK	Agent	Mild	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2cccc3ccccc23)C1	ZINC000020467899	JK	Agent	Anodyne	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3)c2C(=O)Nc2cccc3ccccc23)C1	ZINC000020467900	JK	Agent	Anodyne	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2cccc3ccccc23)C1	ZINC000020467901	JK	Agent	Anodyne	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)Nc2cccc3ccccc23)C1	ZINC000020467902	JK	Agent	Anodyne	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2cccc3ccccc23)C1	ZINC000020467903	JK	Agent	Anodyne	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(=O)Nc2cccc3ccccc23)C1	ZINC000020467904	JK	Agent	Anodyne	
CC(C)(C)c1cc(/C=N/NC(=O)CSc2ncc(Cl)cc2Cl)cc(C(C)(C)C)c1O	ZINC000020468010	JK	Agent	Reactive	
N#C/C(=C\c1cccn1Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000020479459	JK	Agent	Reactive	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1I	ZINC000020494653	JK	Agent	Reactive	
O=C(Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-])c1ccccc1Br	ZINC000020494743	JK	Agent	Bother	
Nc1nc(-c2ccc(Br)cc2)c2n1N=C(c1ccccc1O)C[C@@H]2c1ccc(F)cc1	ZINC000020494893	JK	Agent	Clean	
Nc1nc(-c2ccc(Br)cc2)c2n1N=C(c1ccccc1O)C[C@H]2c1ccc(F)cc1	ZINC000020494895	JK	Agent	Clean	
FC(F)(F)c1ccc(NC(=S)N(Cc2ccccc2Cl)C[C@@H]2CCCO2)cc1Cl	ZINC000020494944	JK	Agent	Anodyne	
FC(F)(F)c1ccc(NC(=S)N(Cc2ccccc2Cl)C[C@H]2CCCO2)cc1Cl	ZINC000020494946	JK	Agent	Anodyne	
Clc1ccccc1CSc1nnc(SCc2ccccc2Cl)n1/N=C/c1ccccc1	ZINC000020508812	JK	Agent	Mild	
O=C1C[C@@H](Nc2ccc(/N=N/c3ccccc3)cc2)C=C1Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000020508925	JK	Agent	Mild	
O=C1C[C@H](Nc2ccc(/N=N/c3ccccc3)cc2)C=C1Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000020508928	JK	Agent	Mild	
O=C(C(=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)c1ccccc1)c1ccccc1	ZINC000020508984	JK	Agent	Mild	 
O=C(C(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)c1ccccc1)c1ccccc1	ZINC000020508987	JK	Agent	Mild	
Clc1cccc(C(Sc2nnn(-c3ccccc3)n2)(c2ccccc2)c2ccccc2)c1	ZINC000020509445	JK	Agent	Anodyne	
Clc1ccc(-c2cs/c(=N\c3ccc(Oc4ccccc4)cc3)n2CCc2ccccc2)s1	ZINC000020522301	JK	Agent	Anodyne	 
N#C/C(=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)S(=O)(=O)c1ccccc1	ZINC000020530059	JK	Agent	Reactive	
O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc1	ZINC000020530232	JK	Agent	Bother	 
O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21	ZINC000020533671	JK	Agent	Anodyne	
O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21	ZINC000020533672	JK	Agent	Anodyne	
O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21	ZINC000020533673	JK	Agent	Anodyne	
O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21	ZINC000020533674	JK	Agent	Anodyne	
O=C(c1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1)N1c2ccccc2[C@H]2C=CC=C[C@H]21	ZINC000020533921	JK	Agent	Anodyne	
O=C(c1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1)N1c2ccccc2[C@H]2C=CC=C[C@@H]21	ZINC000020533922	JK	Agent	Anodyne	
O=C(c1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1)N1c2ccccc2[C@@H]2C=CC=C[C@H]21	ZINC000020533923	JK	Agent	Anodyne	
O=C(c1ccc(C(=O)n2c3ccccc3c3ccccc32)cc1)N1c2ccccc2[C@@H]2C=CC=C[C@@H]21	ZINC000020533924	JK	Agent	Anodyne	
Clc1ccc(Cn2c(-c3ccc(Cl)s3)cs/c2=N\c2cccc3ccccc23)cc1	ZINC000020533962	JK	Agent	Anodyne	 
CC(C)c1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)cc1	ZINC000020550310	JK	Agent	Anodyne	
COc1ccc(Cl)c(NC(=S)N(Cc2ccc(F)cc2)C2CC(C)(C)NC(C)(C)C2)c1	ZINC000020568195	JK	Agent	Anodyne	
COc1ccc(Cl)c(NC(=S)N(Cc2ccccc2F)C2CC(C)(C)NC(C)(C)C2)c1	ZINC000020568215	JK	Agent	Anodyne	
CC(=O)C1=C(C)Nc2sc(C(=O)c3cc(Cl)ccc3Cl)c(N)c2[C@@H]1c1ccccc1	ZINC000020568904	JK	Agent	Mild	
CC(=O)C1=C(C)Nc2sc(C(=O)c3cc(Cl)ccc3Cl)c(N)c2[C@H]1c1ccccc1	ZINC000020568906	JK	Agent	Mild	
C[C@@H]1Cc2cc(COc3ccc(NC(=O)c4ccccc4Br)c([N+](=O)[O-])c3)ccc2O1	ZINC000020572558	JK	Agent	Bother	
C[C@H]1Cc2cc(COc3ccc(NC(=O)c4ccccc4Br)c([N+](=O)[O-])c3)ccc2O1	ZINC000020572560	JK	Agent	Bother	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c(C)cc(C)cc1C	ZINC000020572856	JK	Agent	Reactive	
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c(C)cc(C)cc1C	ZINC000020572858	JK	Agent	Reactive	
CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020572879	JK	Agent	Reactive	 
CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020572881	JK	Agent	Reactive	 
CCC1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1	ZINC000020581266	JK	Agent	Mild	
Cc1ccc(N2C[C@@H](c3nnc(NC(=O)c4sc5ccccc5c4Cl)s3)CC2=O)cc1C	ZINC000020582092	JK	Agent	Anodyne	 
Cc1ccc(N2C[C@H](c3nnc(NC(=O)c4sc5ccccc5c4Cl)s3)CC2=O)cc1C	ZINC000020582096	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=N/NC(=O)CCc2ccccc2)c(OCc2c(F)cccc2Cl)c1	ZINC000020608647	JK	Agent	Reactive	 
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12	ZINC000216023225	JK	Agent	Anodyne	 
CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@]1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1	ZINC000226067799	JK	Agent	Anodyne	
CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@]1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1	ZINC000226067810	JK	Agent	Anodyne	
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1	ZINC000229474923	JK	Agent	Anodyne	 
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2	ZINC000239038853	JK	Agent	Reactive	 
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2	ZINC000239038854	JK	Agent	Reactive	 
Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@H]1CCCO1	ZINC000241316985	JK	Agent	Anodyne	 
Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@H]1CCCO1	ZINC000241316986	JK	Agent	Anodyne	 
Clc1cccc(-c2nc(N/N=C/c3cnc4ccccc4n3)nc3ccc(Br)cc23)c1	ZINC000241776779	JK	Agent	Mild	 
Clc1nc2ccccc2cc1/C=N/N=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1	ZINC000245263873	JK	Agent	Mild	 
O=C(NN=C/C(Cl)=C\c1ccccc1)c1ccc(N/N=C/C(Cl)=C\c2ccccc2)cc1	ZINC000245264233	JK	Agent	Reactive	 
O=C(NN=C/C(Cl)=C\c1ccccc1)c1ccc(N/N=C/C(Cl)=C/c2ccccc2)cc1	ZINC000245264235	JK	Agent	Reactive	 
c1ccc(CSc2ns/c(=N/C(=Nc3ccccc3)c3ccccc3)n2Cc2ccccc2)cc1	ZINC000245266117	JK	Agent	Mild	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=c2sc3ccccc3n2C)cc1OC	ZINC000245266140	JK	Agent	Mild	 
O=C(/C=C/c1ccc(Cl)cc1)N=C1N=C2C=CC(I)=CN2Cc2ccccc21	ZINC000245267917	JK	Agent	Mild	 
CC(C)[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H]1CCCO1	ZINC000245279980	JK	Agent	Anodyne	 
CC(C)[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H]1CCCO1	ZINC000245279983	JK	Agent	Anodyne	 
COc1cc(/C=N/N=c2sc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1Cl	ZINC000245284244	JK	Agent	Mild	 
S=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1)Nc1ccccc1	ZINC000245284858	JK	Agent	Mild	 
Cc1ccc(N2C(=O)CS/C2=N\C(=Nc2ccccc2)SCC(=O)c2ccc(Cl)cc2)cc1	ZINC000245285400	JK	Agent	Mild	 
CN1/C(=C/C=NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C(C)(C)c2ccccc21	ZINC000245285438	JK	Agent	Reactive	 
CCn1c2ccccc2c2cc(/C=N/N=CC3=C(N4CCOCC4)/C(=C\c4ccccc4)CC3)ccc21	ZINC000245285977	JK	Agent	Mild	 
COc1ccccc1[C@@H]1CN(Cc2cccnc2)C[C@H]1CN(CC(C)C)C(=O)c1ccccc1	ZINC000245326181	JK	Agent	Anodyne	 
COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@@H](O)Cc1ccccc1	ZINC000248108662	JK	Agent	Anodyne	 
COc1ccccc1[C@@H]1CN(Cc2ccsc2)C[C@H]1CN(Cc1ccccc1)C(=O)C(C)C	ZINC000248162535	JK	Agent	Anodyne	 
CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1	ZINC000002509767	JK	Agent	Anodyne	 
CCOc1ccc2c(c1)/C(=C/C=C/c1cc(C)c3cc(OCC)ccc3[n+]1CC)C=C(C)N2CC	ZINC000002510091	JK	Agent	Anodyne	 
Cc1ccc(O)c(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(C)ccc4O)c3O)c2O)c1	ZINC000002525158	JK	Agent	Anodyne	 
O=C(N[C@@H](C(=O)O)c1ccc(Br)cc1)OCC1c2ccccc2-c2ccccc21	ZINC000002527622	JK	Agent	Anodyne	 
Clc1cc(Cl)c(Cl)c(SSc2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl	ZINC000002555836	JK	Agent	Reactive	 
O=C(Nc1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2)C(Cl)=C(Cl)Cl	ZINC000002556061	JK	Agent	Bother	 
C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000002557585	JK	Agent	Anodyne	 
CSc1ccc(C(F)(F)F)cc1NC(=S)P(=O)(c1ccccc1)c1ccccc1	ZINC000002561308	JK	Agent	Reactive	 
O=P(C(=S)Nc1c(F)cc(Br)cc1F)(c1ccccc1)c1ccccc1	ZINC000002561310	JK	Agent	Reactive	 
Cc1cc(C)c(NC(=O)C(Cl)(Cl)SNc2cccc(Oc3ccc(Cl)cc3)c2)c(C)c1	ZINC000002564961	JK	Agent	Anodyne	 
CSc1nc(Cl)cc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n[nH]2)n1	ZINC000002570663	JK	Agent	Anodyne	 
C=CC(=O)Oc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(=O)C=C)c(Cl)c2)cc1Cl	ZINC000002572018	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(NC(=O)C(Cl)(Cl)Cl)c(NC(=O)C(Cl)(Cl)Cl)c1	ZINC000002576644	JK	Agent	Anodyne	 
N=C(NC(=O)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl)C(Cl)Cl	ZINC000002577749	JK	Agent	Reactive	 
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCC(=O)N2CCCC2)cc1	ZINC000002616136	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C3\SCC(=O)N3CC(=O)Nc3sc(C)c(C)c3C#N)n2)cc1	ZINC000002620806	JK	Agent	Mild	 
Cc1ccc(Nc2nc(COC(=O)/C(=C/c3ccc(Cl)cc3)c3ccc(F)cc3)cs2)cc1	ZINC000002627378	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)c2cc(C)n(C)c2C)cc1Cl	ZINC000002629483	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCC(=O)Nc3ccccc3C#N)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000002632353	JK	Agent	Mild	 
O=[N+]([O-])c1cc(/C=N/n2c(Cc3cccc4ccccc34)n[nH]c2=S)ccc1Sc1ncccn1	ZINC000002632454	JK	Agent	Mild	 
COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(=O)Nc2ccccc2F)cc1Cl	ZINC000002632971	JK	Agent	Anodyne	 
COc1ccc(-c2nc(NC(=O)CCN3C(=O)S/C(=C\c4cccs4)C3=O)sc2C)cc1	ZINC000002633685	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)NC1CCCC1	ZINC000002634614	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccc2c(c1)OCO2	ZINC000002635148	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)n1C[C@H]1COc2ccccc2O1	ZINC000002635498	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)n1C[C@@H]1COc2ccccc2O1	ZINC000002635500	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000002637746	JK	Agent	Anodyne	 
C[C@@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000002637748	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)NCCC1=CCCCC1	ZINC000002637781	JK	Agent	Anodyne	 
C[C@@H](OC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)NCCC1=CCCCC1	ZINC000002637783	JK	Agent	Anodyne	 
CCN(CC)S(=O)(=O)c1ccc(/C=C/c2oc3ccc(Br)cc3c(=O)c2C)cc1	ZINC000002640236	JK	Agent	Anodyne	 
O=C1/C(=C\c2ccco2)N=C(SCc2nnc(-c3ccccc3)o2)N1c1ccc(OC(F)F)cc1	ZINC000002642556	JK	Agent	Anodyne	 
O=C(COC(=O)/C=C/c1cnc2ccccc2n1)Nc1cc(Cl)ccc1Oc1ccccc1	ZINC000002643102	JK	Agent	Anodyne	 
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000002643829	JK	Agent	Reactive	 
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)Nc4cc(Cl)ccc43)o2)cc1	ZINC000002643930	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C3/S[C@H](C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1	ZINC000002645937	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C3\S[C@H](C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1	ZINC000002645938	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C3/S[C@@H](C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1	ZINC000002645939	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C3\S[C@@H](C)C(=O)N3CC(=O)Nc3ccccc3F)n2)cc1	ZINC000002645940	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(/C=C3\SCC(=O)N3CC(=O)Nc3ccccc3Cl)n2)cc1	ZINC000002646200	JK	Agent	Anodyne	 
Cc1cccc(C)c1-n1c(=O)c2ccccc2n2c(SCc3csc(-c4ccccc4)n3)nnc12	ZINC000002648666	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C	ZINC000002650811	JK	Agent	Mild	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1cccc(Cl)c1C	ZINC000002650869	JK	Agent	Anodyne	 
CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4C)nnc23)cc1	ZINC000002652179	JK	Agent	Anodyne	 
CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4C)nnc23)cc1	ZINC000002652180	JK	Agent	Anodyne	 
Brc1cc2c(c(CSC/C=C/c3ccccc3)c1)O[C@@H](c1ccccc1)OC2	ZINC000002655121	JK	Agent	Anodyne	 
Brc1cc2c(c(CSC/C=C/c3ccccc3)c1)O[C@H](c1ccccc1)OC2	ZINC000002655123	JK	Agent	Anodyne	 
O=C(CN1C(=O)CS/C1=C/c1nc(-c2ccc(Cl)cc2)cs1)Nc1cccnc1Cl	ZINC000002656993	JK	Agent	Anodyne	 
COc1ccccc1N(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1	ZINC000002660060	JK	Agent	Anodyne	 
COc1ccc(/C=C2/N=C(SCCCC(=O)c3ccccc3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000002662568	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCCCC(=O)c3ccccc3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000002662569	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000002663722	JK	Agent	Clean	 
N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000002663737	JK	Agent	Reactive	 
COc1ccc(/C=C2/N=C(SCc3c(C)noc3C)N(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000002664618	JK	Agent	Anodyne	 
CCOc1ccc(C(C)=O)cc1COC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1Cl	ZINC000002664771	JK	Agent	Anodyne	 
CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(F)(F)F)C1=O	ZINC000002668794	JK	Agent	Clean	 
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1	ZINC000002673092	JK	Agent	Reactive	 
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)C(c1ccccc1)c1ccccc1	ZINC000002679574	JK	Agent	Clean	 
Cc1ccc(C)c(-n2c(SCC(=O)Nc3cccc(Cl)c3Cl)nnc2-c2ccccc2)c1	ZINC000002684578	JK	Agent	Anodyne	 
Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccc(Cl)cc2Cl)c1	ZINC000002684587	JK	Agent	Anodyne	 
Cc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccc(Cl)cc2Cl)c1	ZINC000002684599	JK	Agent	Anodyne	 
CN1/C(=C/C(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)C(C)(C)c2ccccc21	ZINC000002689883	JK	Agent	Anodyne	 
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	ZINC000002696703	JK	Agent	Clean	 
CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	ZINC000002696707	JK	Agent	Clean	 
Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)c(C(C)C)cc1Cl	ZINC000002725888	JK	Agent	Mild	 
N#CC(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl	ZINC000002727007	JK	Agent	Reactive	 
Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c(Br)c1	ZINC000002736153	JK	Agent	Anodyne	 
COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Br)c1OCc1ccccc1C	ZINC000002741382	JK	Agent	Anodyne	 
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1	ZINC000002743932	JK	Agent	Reactive	 
CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc(Cl)c1OCc1ccccc1C	ZINC000002744484	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)c2cc(C(=O)OC(C)C)c(NC(=O)c3csc(C)c3)s2)c(C)c1	ZINC000002749622	JK	Agent	Anodyne	 
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CNc1cccc(Br)c1	ZINC000002756648	JK	Agent	Clean	 
CC(C)OC(=O)c1c(C2CCCCC2)csc1NC(=O)Cc1ccc(Br)cc1	ZINC000002768451	JK	Agent	Anodyne	 
COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1	ZINC000002769096	JK	Agent	Reactive	 
COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1	ZINC000002769325	JK	Agent	Reactive	 
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3c(C)nn(-c4ccc(Br)cc4)c3Cl)C2=O)c1	ZINC000002773114	JK	Agent	Clean	 
Cc1nnc2n1N=C(c1ccc(F)cc1F)/C(=C/c1ccc(COc3ccc(C#N)cc3)o1)S2	ZINC000002775113	JK	Agent	Mild	 
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1C(=O)O	ZINC000002775484	JK	Agent	Reactive	 
CCCOc1c(Br)cc(/C=C2/Sc3nnc(C)n3N=C2c2ccccc2)cc1OC	ZINC000002776838	JK	Agent	Anodyne	 
Cc1nnc2n1N=C(c1ccccc1)/C(=C/c1ccc(COc3ccc(F)cc3F)o1)S2	ZINC000002777698	JK	Agent	Anodyne	 
Cc1nn(C)cc1/C=C1\N=C(SCC(=O)Nc2ccc3ccccc3c2)N(C2CCCCC2)C1=O	ZINC000002785094	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C\c2cccs2)C(=O)N1C1CCCCC1)Nc1ccc(Cl)cc1Cl	ZINC000002785481	JK	Agent	Anodyne	 
Cc1ccc(/C=C2\N=C(SCC(=O)Nc3ccc(Cl)cc3Cl)N(CC(C)C)C2=O)s1	ZINC000002785674	JK	Agent	Anodyne	 
Cc1ccc(/C=C2\N=C(SCC(=O)Nc3cccc4ccccc34)N(CC(C)C)C2=O)s1	ZINC000002785946	JK	Agent	Anodyne	 
COc1ccc(/C=C2/CC/C(=C\c3ccc(OC)c(Cn4cccn4)c3)C2=O)cc1Cn1cccn1	ZINC000002787374	JK	Agent	Mild	 
CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)c(C(=O)OC(C)C)c1C	ZINC000002793298	JK	Agent	Anodyne	 
N#CC(=C/c1cn(Cc2ccccc2)c2ccccc12)/C(O)=N/c1cc(C(F)(F)F)ccc1Cl	ZINC000002797527	JK	Agent	Reactive	 
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Cl)N(c2ccccc2)C1=S	ZINC000002798841	JK	Agent	Anodyne	 
CC(=O)Oc1ccc(/C=C2\SC(N(C(C)=O)c3ccccc3Cl)=NC2=O)cc1Br	ZINC000002798886	JK	Agent	Clean	 
CCOc1ccc(N2C(=S)N(CC)C(=O)/C2=C/c2cc(Cl)cc(OC)c2OCC)cc1	ZINC000002798902	JK	Agent	Anodyne	 
C=CCN1C(=O)/C(=C/c2cc(OCC)c(OC)cc2Br)N(c2ccc(C)cc2)C1=S	ZINC000002799219	JK	Agent	Mild	 
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)N(c2ccccc2)C1=S	ZINC000002799565	JK	Agent	Mild	 
N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000002800880	JK	Agent	Reactive	 
N#C/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccccc1C(F)(F)F	ZINC000002801041	JK	Agent	Reactive	 
CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)S2)cc1	ZINC000002801122	JK	Agent	Mild	 
N#C/C(=C/c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F	ZINC000002807602	JK	Agent	Reactive	 
Cc1cc(-c2ccc(/N=C/c3ccc4ccccc4c3)c(C)c2)ccc1/N=C/c1ccc2ccccc2c1	ZINC000002811191	JK	Agent	Mild	 
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(O)c(Br)c3)C2=O)cc1Cl	ZINC000002818868	JK	Agent	Clean	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1COc1c(F)c(F)cc(F)c1F	ZINC000002853749	JK	Agent	Reactive	 
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1CSc1nc(C)cc(C(F)F)n1	ZINC000002857182	JK	Agent	Reactive	
COC(=O)c1ccc2c(=O)n(Cc3ccccc3C)c3c(-c4ccccc4)sc(=S)n3c2c1	ZINC000002957516	JK	Agent	Anodyne	 
COC(=O)c1ccc2c(=O)n(Cc3cc(C)ccc3C)c3c(-c4ccccc4)sc(=S)n3c2c1	ZINC000002957527	JK	Agent	Anodyne	 
O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1	ZINC000002960408	JK	Agent	Anodyne	 
N#CN=C1NC2=C(CCC/C2=C/c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1	ZINC000002981197	JK	Agent	Mild	 
CC[C@]1(C(=O)c2ccccc2)[C@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)c1ccccc1	ZINC000251329682	JK	Agent	Anodyne	 
CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3cc(Br)ccc3OC(=O)[C@]21C(=O)c1ccccc1	ZINC000251329694	JK	Agent	Anodyne	 
Cc1ccc(-c2noc(-c3s/c(=N\C(=Nc4ccccc4)c4ccccc4)n(C)c3N)n2)cc1	ZINC000252445387	JK	Agent	Mild	 
C[C@H]1C[C@@H](C)CN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1	ZINC000252445420	JK	Agent	Anodyne	 
O=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1	ZINC000252511559	JK	Agent	Reactive	 
C/C(C=NNC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1)=C/c1ccccc1	ZINC000252511787	JK	Agent	Reactive	 
CCN(CC)c1ccc(/C=C2/CCC(C=NNC(=S)Nc3ccccc3)=C2N2CCOCC2)cc1	ZINC000252512056	JK	Agent	Mild	 
CN1/C(=C/C=Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)C(C)(C)c2ccccc21	ZINC000252512110	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2/CCC(C=NNc3ccccc3C(=O)O)=C2N2CCOCC2)cc1	ZINC000252512301	JK	Agent	Mild	 
CN1/C(=C/C=Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)C(C)(C)c2ccccc21	ZINC000252512507	JK	Agent	Mild	 
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	ZINC000252512535	JK	Agent	Reactive	 
N#Cc1c(N=C/C(Br)=C\c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000252512571	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2/CCC(C=NNc3ccc4ccccc4n3)=C2N2CCOCC2)cc1	ZINC000252513353	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C/C=C3/N(C)c4ccccc4C3(C)C)cc12	ZINC000252513401	JK	Agent	Reactive	 
O=C1[C@H](Cc2cc(Cl)ccc2Cl)SC(=N/N=C/c2ccccc2O)N1Cc1ccco1	ZINC000252585622	JK	Agent	Mild	 
O=C1[C@@H](Cc2cc(Cl)ccc2Cl)SC(=N/N=C/c2ccccc2O)N1Cc1ccco1	ZINC000252585623	JK	Agent	Mild	 
CCOc1cc(-c2nc3ccccn3c2N=Cc2cc(Br)ccc2O)ccc1O	ZINC000252607183	JK	Agent	Mild	 
O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)NCCc1ccccc1	ZINC000252631857	JK	Agent	Anodyne	 
CN(C)c1ccc(NC(=O)N2[C@H](c3nc4ccccc4[nH]3)C[C@@H]3CCCC[C@H]32)c(C(F)(F)F)c1	ZINC000252669106	JK	Agent	Anodyne	 
CN(C)c1ccc(NC(=O)N2[C@H](c3nc4ccccc4[nH]3)C[C@H]3CCCC[C@H]32)c(C(F)(F)F)c1	ZINC000252669107	JK	Agent	Anodyne	 
O=C1N/C(=N\N=Cc2c3ccccc3cc3ccccc23)S[C@@H]1Cc1ccc(SC(F)F)cc1	ZINC000252677860	JK	Agent	Mild	 
O=C1N/C(=N\N=Cc2c3ccccc3cc3ccccc23)S[C@H]1Cc1ccc(SC(F)F)cc1	ZINC000252677861	JK	Agent	Mild	 
CN1/C(=C/C=Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)C(C)(C)c2ccccc21	ZINC000252677919	JK	Agent	Mild	 
O=C1N/C(=N\N=Cc2ccc(-c3ccccc3Cl)o2)S[C@H]1Cc1ccc(SC(F)F)cc1	ZINC000252679733	JK	Agent	Mild	 
O=C1N/C(=N\N=Cc2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(SC(F)F)cc1	ZINC000252679734	JK	Agent	Mild	 
O=C(/C=C/c1ccc(Cl)cc1Cl)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21	ZINC000252679977	JK	Agent	Mild	 
CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@]2(C)O)C1(C)C	ZINC000253390104	JK	Agent	Anodyne	in-man endogenous
CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@]2(C)O)C1(C)C	ZINC000253390105	JK	Agent	Anodyne	in-man endogenous
O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@@H]1C[C@@H]31	ZINC000253390218	JK	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/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	ZINC000253390219	JK	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/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	ZINC000253390220	JK	Agent	Anodyne	 
O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	ZINC000253390222	JK	Agent	Anodyne	 
O=C(CSc1nncn1-c1ccccc1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000253392147	JK	Agent	Anodyne	 
O=C(CSc1ccccc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000253392149	JK	Agent	Anodyne	 
O=C(COc1ncnc2ccccc12)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000253392187	JK	Agent	Anodyne	 
Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000253392189	JK	Agent	Anodyne	 
Cc1cccc(OCC(=O)N2N=C3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@H]2c2ccc(F)cc2)c1	ZINC000253392320	JK	Agent	Anodyne	 
Cn1cnnc1SCC(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000253392378	JK	Agent	Anodyne	 
O=C(CSc1nnc2ccccn12)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000253392646	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccccc2)o1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000253392982	JK	Agent	Anodyne	 
O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000253393811	JK	Agent	Anodyne	 
O/[N+](=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1	ZINC000253394072	JK	Agent	Clean	 
CCCCNc1nnc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)s1	ZINC000253395611	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)nnc1-c1ccccc1	ZINC000253397596	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1Cl	ZINC000253397599	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2cccnc2)o1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000253397655	JK	Agent	Anodyne	 
Cc1nnc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)n1-c1ccccc1	ZINC000253397704	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nnc1C1CC1	ZINC000253397758	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)nnc1C1CC1	ZINC000253397770	JK	Agent	Anodyne	 
CCC1(CC)NC(=O)N(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1=O	ZINC000253398764	JK	Agent	Anodyne	 
CC(=O)Nc1cccc(OCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)c1	ZINC000253400425	JK	Agent	Anodyne	 
Cc1nc(SCC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)nc(C)c1C	ZINC000253400615	JK	Agent	Anodyne	 
C[C@H]1C[C@@H](C)CN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1	ZINC000253415732	JK	Agent	Anodyne	 
CC(=O)O[C@@H]1C=C2C[C@H](SC(C)=O)[C@@H]3[C@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000253495916	JK	Agent	Anodyne	 
CC(=O)O[C@@H]1C=C2C[C@H](SC(C)=O)[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1	ZINC000253537602	JK	Agent	Anodyne	 
CC(=O)O[C@@H]1C=C2C[C@@H](SC(C)=O)[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]43CCC(=O)O3)[C@@]2(C)CC1	ZINC000253537603	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)cc1	ZINC000253630041	JK	Agent	Anodyne	 
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1	ZINC000253947056	JK	Agent	Clean	 
Sc1nnc(-c2cccs2)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000254286959	JK	Agent	Anodyne	 
Brc1ccc(C=Nc2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1	ZINC000254287257	JK	Agent	Anodyne	 
COc1cc2c(cc1OC)CN(C=Nc1oc(-c3ccccc3)c(-c3ccccc3)c1C#N)CC2	ZINC000254287298	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=Nn1cnc2sc(C)c(C)c2c1=O	ZINC000254287350	JK	Agent	Mild	 
O=C(CSc1nc2ccccc2s1)NN=Cc1ccccc1OCc1ccccc1Cl	ZINC000254288740	JK	Agent	Anodyne	 
C(=Nn1c(-c2ccc(C3CCCCC3)cc2)csc1=Nc1ccccc1)c1c[nH]c2ccccc12	ZINC000254288774	JK	Agent	Mild	 
CC(C)Cc1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1	ZINC000254289784	JK	Agent	Mild	 
CCOc1ccc(-c2cc(C(=O)NN=C(C)c3cccnc3)c3ccccc3n2)c(OCC)c1	ZINC000254290052	JK	Agent	Reactive	 
COCCN=c1scc(-c2ccc(C)c(C)c2)n1N=C(C)c1ccc2cc(OC)ccc2c1	ZINC000254290070	JK	Agent	Mild	 
Cc1cccc(C)c1N=c1scc(-c2cc3ccccc3o2)n1N=Cc1cccc(C(F)(F)F)c1	ZINC000254290517	JK	Agent	Mild	 
CC(=NNC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254290533	JK	Agent	Reactive	 
CCOC(=O)[C@H]1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)C(CC)=C1C	ZINC000254290655	JK	Agent	Anodyne	 
CCOC(=O)[C@@H]1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)C(CC)=C1C	ZINC000254290660	JK	Agent	Anodyne	 
COCCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1cccc(Br)c1	ZINC000254290896	JK	Agent	Anodyne	 
CCOC(=O)C1=C(C)N2C(=NC3=C(C[C@H](C)C/C3=C\c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)S1	ZINC000254291560	JK	Agent	Anodyne	 
CC(=NNC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)C2CCCCC2)c1	ZINC000254291970	JK	Agent	Anodyne	 
Cn1ncc(N=Cc2ccc(COc3c(Cl)cccc3Cl)o2)c1C(=O)NCc1ccco1	ZINC000254292061	JK	Agent	Anodyne	 
CCOC(=O)c1c(NN=C(C#N)c2nc3ccccc3[nH]2)sc(SC#N)c1-c1ccccc1	ZINC000254292122	JK	Agent	Reactive	 
CC(=NNC(=O)COc1cc(C)c(Br)cc1C(C)C)c1ccc(Br)cc1	ZINC000254292596	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3ccc(OC)cc3)=C2N2CCOCC2)cc1	ZINC000254292688	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3ccc(OC)cc3)=C2N2CCOCC2)cc1	ZINC000254292695	JK	Agent	Mild	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000254292704	JK	Agent	Anodyne	 
Fc1cccc(F)c1C=Nn1c(-c2cc3ccccc3o2)csc1=NCCc1ccccc1	ZINC000254293110	JK	Agent	Mild	 
O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1cc2c(s1)CCCC2	ZINC000254293621	JK	Agent	Mild	 
Oc1c(Br)cc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)cc1Br	ZINC000254294097	JK	Agent	Anodyne	 
Cc1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(F)cc1	ZINC000254294264	JK	Agent	Reactive	 
Cc1ccc(Nc2nc(NN=Cc3ccccc3O)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1	ZINC000254294308	JK	Agent	Mild	 
Oc1c(Br)cc(Br)cc1C=NN=C(c1ccccc1)c1ccccc1	ZINC000254294657	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=Nc5ccc(C)cc5)(c5ccccc54)[C@H]3C2=O)cc1	ZINC000254295101	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=Nc3ccc(C)cc3)c3ccccc32)cc1	ZINC000254295104	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=Nc5ccc(C)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	ZINC000254295106	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=Nc5ccc(C)cc5)(c5ccccc54)[C@@H]3C2=O)cc1	ZINC000254295108	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1Cl	ZINC000254295586	JK	Agent	Anodyne	 
CCCCN(CCCC)CN1C(=O)C(=Nc2ccc(OC)cc2)c2cc(Br)ccc21	ZINC000254296057	JK	Agent	Anodyne	 
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(OC(F)(F)F)cc1	ZINC000254296418	JK	Agent	Mild	 
O=C(/C=C/c1ccc(Cl)cc1Cl)N=C1N=CC(=NNc2cccc(C(F)(F)F)c2)S1	ZINC000254296464	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc(Cl)cc1Cl)N=C1N=CC(=NNc2cccc(C(F)(F)F)c2)S1	ZINC000254296467	JK	Agent	Anodyne	 
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)o1	ZINC000254296607	JK	Agent	Mild	 
Cc1ccccc1NC(=O)c1c(N=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2	ZINC000254296685	JK	Agent	Mild	 
Cc1ccccc1NC(=O)c1c(N=Cc2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2	ZINC000254296688	JK	Agent	Mild	 
CSc1nncn1N=Cc1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1	ZINC000254297322	JK	Agent	Anodyne	 
O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)C12CC3CC(CC(C3)C1)C2	ZINC000254300318	JK	Agent	Mild	 
O=C(N=C1N=CC(=NNc2cccc(C(F)(F)F)c2)S1)c1ccc(Br)cc1	ZINC000254300615	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=S)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000254300691	JK	Agent	Mild	 
Fc1ccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2CCc2ccccc2)cc1	ZINC000254300841	JK	Agent	Anodyne	 
Cc1ccccc1NCC(=O)NN=Cc1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12	ZINC000254301969	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(F)c(Cl)c1	ZINC000254302105	JK	Agent	Anodyne	 
CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1N=Cc1ccc(Br)cc1	ZINC000254302211	JK	Agent	Anodyne	 
O=C1c2ccccc2C(=O)N1SC(Cl)=NC1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F	ZINC000254302478	JK	Agent	Mild	 
CC(=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc2c(c1)Cc1ccccc1-2	ZINC000254302530	JK	Agent	Anodyne	 
COc1ccc(C)cc1N=C1SCC(C)(C)N1C(=O)CCc1nnc(-c2ccc(C)cc2)o1	ZINC000254302719	JK	Agent	Mild	 
COc1cc(C=Nn2cnc3scc(-c4ccc(C)cc4)c3c2=O)ccc1OC(=O)OC(C)(C)C	ZINC000254302808	JK	Agent	Mild	 
COCCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc(Br)cc1	ZINC000254303153	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(CSc2nc3ccc(N=Cc4cc(Cl)ccc4O)cc3s2)cc1	ZINC000254303392	JK	Agent	Anodyne	 
O=c1c(=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)sc2nc3ccccc3n12	ZINC000254303492	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(C)cc1Cl	ZINC000254303593	JK	Agent	Anodyne	 
Cc1ccc(C)c(N=C2SCCCN2C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1	ZINC000254303734	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccc(Cl)s1	ZINC000254303769	JK	Agent	Anodyne	 
COc1ccc(N=c2scc(-c3ccc(C4CCCCC4)cc3)n2N=Cc2ccc(C)s2)cc1	ZINC000254304006	JK	Agent	Mild	 
COc1ccc([C@@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4ccc(C)cc4C)N32)cc1	ZINC000254304304	JK	Agent	Mild	 
COc1ccc([C@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4ccc(C)cc4C)N32)cc1	ZINC000254304306	JK	Agent	Mild	 
COc1ccccc1N=C1SCCN1C(=O)c1oc2ccccc2c1CSCc1ccccc1	ZINC000254304416	JK	Agent	Mild	 
CCc1ccc(-c2csc(=NCc3ccccc3)n2N=Cc2cc(OC)c(O)c(OC)c2)cc1	ZINC000254304455	JK	Agent	Mild	 
CCCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nc2ccccc2s1	ZINC000254304581	JK	Agent	Anodyne	 
CCCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nc2ccccc2s1	ZINC000254304582	JK	Agent	Anodyne	 
O=C(N=C1c2ccccc2CN1c1ccc(I)cc1)Nc1ccc(Cl)cc1	ZINC000254304797	JK	Agent	Anodyne	 
COc1ccc(N=c2scc(-c3ccc(O)c(C(N)=O)c3)n2CCc2ccc(Cl)cc2)cc1	ZINC000254304902	JK	Agent	Anodyne	 
CCc1cc2c(=O)n(N=Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3Cl)cnc2s1	ZINC000254305010	JK	Agent	Anodyne	 
Cn1c(=NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2cccc(F)c21	ZINC000254305569	JK	Agent	Anodyne	 
Cc1c(C=NNC(=O)c2sc3ccccc3c2Cl)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000254306345	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(N=Cc3c(O)ccc4ccccc34)cc2s1	ZINC000254306810	JK	Agent	Mild	 
C=CCN=c1scc(-c2cccc(Br)c2)n1N=Cc1c(Cl)cccc1Cl	ZINC000254307230	JK	Agent	Anodyne	 
Cc1ccccc1Cn1cc(C=NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21	ZINC000254308226	JK	Agent	Mild	 
COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccc(Cl)cc3Cl)n2)cc1	ZINC000254308293	JK	Agent	Anodyne	 
CCCCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nc2ccccc2s1	ZINC000254308889	JK	Agent	Anodyne	 
CCCCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nc2ccccc2s1	ZINC000254308896	JK	Agent	Anodyne	 
O=C(Nc1sc(=Nc2ccccc2)n(C[C@@H]2CCCO2)c1-c1cccs1)c1ccco1	ZINC000254308904	JK	Agent	Anodyne	 
O=C(Nc1sc(=Nc2ccccc2)n(C[C@H]2CCCO2)c1-c1cccs1)c1ccco1	ZINC000254308912	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1cccc(C(F)(F)F)c1	ZINC000254309363	JK	Agent	Mild	 
CCOc1ccc(-c2nnc(S)n2N=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1	ZINC000254309663	JK	Agent	Mild	 
Cc1cc(C=NNC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cccc(Cl)c1Cl	ZINC000254309678	JK	Agent	Anodyne	 
O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)NCc1ccccc1	ZINC000254310211	JK	Agent	Anodyne	 
Cc1ccc(N=C(c2ccccc2)N(C(=O)c2ccc(Br)cc2)c2ccc(C)cc2)cc1	ZINC000254310583	JK	Agent	Anodyne	 
COc1ccc(N=C2S[C@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(OC)cc2)cc1	ZINC000254310779	JK	Agent	Mild	 
COc1ccc(N=C2S[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(OC)cc2)cc1	ZINC000254310783	JK	Agent	Mild	 
O=C(Nc1ccc(Cl)cc1)c1ccsc1N=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000254311258	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(Cl)c(Cl)c1	ZINC000254311485	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	ZINC000254312375	JK	Agent	Reactive	 
Cc1ccc(Nc2nc(NN=Cc3ccco3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1	ZINC000254312399	JK	Agent	Mild	 
O=C(OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1)c1cc(O)nc2ccccc12	ZINC000254312430	JK	Agent	Reactive	 
C/C(C=NNC(=O)CNc1ccc(I)c(C)c1)=C\c1ccc(C(C)C)cc1	ZINC000254312745	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)cc1	ZINC000254312827	JK	Agent	Anodyne	 
CCCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000254312942	JK	Agent	Anodyne	 
Cc1ccc2cc(C=NNc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(Cl)nc2c1	ZINC000254312954	JK	Agent	Anodyne	 
Cc1cccn(C(=O)c2ccc(Cl)cc2Cl)c1=NC(=O)c1ccc(Cl)cc1Cl	ZINC000254313004	JK	Agent	Anodyne	 
COc1ccc(N=C2S[C@@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1	ZINC000254313302	JK	Agent	Mild	aggregator
COc1ccc(N=C2S[C@H](CC(=O)Nc3cccc(Cl)c3)C(=O)N2Cc2ccco2)cc1	ZINC000254313305	JK	Agent	Mild	aggregator
O=c1c(=Cc2ccccc2Br)sc2nc(-c3ccccc3)c(-c3ccccc3)n12	ZINC000254313388	JK	Agent	Anodyne	 
Cc1ccc2nc(-c3cc(N=Cc4c(C)c(C#N)c5nc6ccccc6n5c4O)ccc3Cl)oc2c1	ZINC000254313602	JK	Agent	Anodyne	 
CCCCN=c1scc(-c2ccc(C3CCCCC3)cc2)n1N=Cc1ccc2c(c1)OCO2	ZINC000254317917	JK	Agent	Mild	 
COc1ccc(Cn2c(-c3ccc4c(c3)OCCO4)csc2=Nc2ccccc2F)cc1OC	ZINC000254318999	JK	Agent	Anodyne	 
Clc1cc(Cl)c(NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)nc1Cl	ZINC000254319731	JK	Agent	Anodyne	 
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\C(=O)N=c1sc2ccccc2n1C	ZINC000254327879	JK	Agent	Anodyne	 
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)N=c1sc2ccccc2n1C	ZINC000254327884	JK	Agent	Anodyne	 
C=CCOc1c(Br)cc(C=NNc2ccc(Br)cc2)cc1OCC	ZINC000254339427	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccccc1Cl	ZINC000254339466	JK	Agent	Anodyne	 
O=C(c1oc2ccccc2c1CSC1CCCCC1)N1CCCSC1=Nc1ccccc1	ZINC000254339540	JK	Agent	Mild	 
Cc1sc2ncnc(NN=Cc3c(C)c(C(=O)c4ccc(F)cc4)n4ccccc34)c2c1C	ZINC000254339648	JK	Agent	Mild	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccccc1Br	ZINC000254340133	JK	Agent	Anodyne	 
Cc1c(C=NNC(=S)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000254340147	JK	Agent	Mild	 
C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN=Cc1ccc(Cl)cc1	ZINC000254341010	JK	Agent	Anodyne	 
COc1cc(C=NNc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	ZINC000254341357	JK	Agent	Mild	 
CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccc(OC(C)C)cc3)c3cccc(Cl)c3n2)cc1	ZINC000254341437	JK	Agent	Anodyne	 
Cc1cc(C=NNc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(I)cc1	ZINC000254341469	JK	Agent	Anodyne	 
CCN(CC)c1ccc(C=NNc2nnc(SCc3cccc(Br)c3)[nH]2)cc1	ZINC000254342008	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nc2ccc(OC(F)(F)C(F)F)c(N=Cc3ccc(C#N)cc3)c2)cc1	ZINC000254342408	JK	Agent	Mild	 
C[C@H](Oc1cccc2cccnc12)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000254344730	JK	Agent	Anodyne	 
C[C@@H](Oc1cccc2cccnc12)C(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000254344733	JK	Agent	Anodyne	 
CC(C)(C)c1cc(C=NNc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(C(C)(C)C)c1	ZINC000254344893	JK	Agent	Anodyne	 
C=C(C)CN=c1scc(-c2cccc(C(F)(F)F)c2)n1N=Cc1c(C)[nH]c2ccccc12	ZINC000254345999	JK	Agent	Mild	 
CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000254346074	JK	Agent	Anodyne	 
O=c1oc2ccc3ccccc3c2cc1-c1nn(-c2ccccc2)cc1C=Nc1ccc(F)cc1	ZINC000254346253	JK	Agent	Mild	 
Cc1cc(OCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c(C(C)C)cc1Br	ZINC000254346406	JK	Agent	Anodyne	 
O=c1c(=Cc2cc(Cl)cc(Cl)c2OCc2ccccc2F)sc2nc3ccccc3n12	ZINC000254346582	JK	Agent	Anodyne	 
CCN(CC)c1ccc(C=N/N=C2\NC(=O)[C@H](Cc3ccc(SC(F)F)cc3)S2)cc1	ZINC000254346591	JK	Agent	Anodyne	 
CCN(CC)c1ccc(C=N/N=C2\NC(=O)[C@@H](Cc3ccc(SC(F)F)cc3)S2)cc1	ZINC000254346595	JK	Agent	Anodyne	 
Cc1cc(I)c(O)c(C=Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1	ZINC000254347274	JK	Agent	Anodyne	 
COc1cc(C=NOCc2nnc(-c3ccc(F)cc3)o2)ccc1OCc1ccc(Cl)cc1	ZINC000254347581	JK	Agent	Anodyne	 
Cc1c(C=Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(O)n2c(nc3ccccc32)c1C#N	ZINC000254347788	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)csc2=NC2CCCCC2)cc1	ZINC000254348059	JK	Agent	Mild	 
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)c1	ZINC000254348397	JK	Agent	Reactive	 
Cc1cc(NN=Cc2ccccc2)nc(-c2cc(Br)cc(Br)c2O)n1	ZINC000254348417	JK	Agent	Anodyne	 
Cc1c(Cl)c(C)c(C=Nc2ccc(-c3nc4ccccc4o3)cc2)c(O)c1Br	ZINC000254348523	JK	Agent	Anodyne	 
COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccc(Br)cc3)n2)cc1	ZINC000254349842	JK	Agent	Anodyne	 
CC(=NNC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(C2CCCCC2)cc1	ZINC000254350159	JK	Agent	Anodyne	 
CCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Br)cc2)o1	ZINC000254350389	JK	Agent	Anodyne	 
O=C(CN1C(=O)C(=NNc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc21)Nc1ccccc1F	ZINC000254351092	JK	Agent	Anodyne	 
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	ZINC000254351794	JK	Agent	Anodyne	 
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1	ZINC000254351800	JK	Agent	Anodyne	 
Fc1ccc(N=c2scc(-c3ccccc3Br)n2N=Cc2ccccn2)cc1	ZINC000254351844	JK	Agent	Anodyne	 
CC[C@H]1CCc2sc(C(=O)NN=Cc3ccc(N4CCC(c5ccccc5)=N4)cc3)cc2C1	ZINC000254351857	JK	Agent	Reactive	 
CC[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(N4CCC(c5ccccc5)=N4)cc3)cc2C1	ZINC000254351866	JK	Agent	Reactive	 
O=c1c(=Cc2ccc(-c3ccc(F)cc3)o2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12	ZINC000254351923	JK	Agent	Anodyne	 
C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(C(F)(F)F)cc1	ZINC000254352266	JK	Agent	Mild	 
Cc1c(C=NNc2ncc(C(F)(F)F)cc2Cl)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000254371792	JK	Agent	Anodyne	 
Cc1ccccc1NC(=O)c1ccsc1N=Cc1cn(Cc2ccccc2F)c2ccccc12	ZINC000254372123	JK	Agent	Mild	 
COc1ccc(Cl)cc1C(=O)OCC(=O)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000254372137	JK	Agent	Anodyne	 
COc1cc(C=NN(c2ccccc2)c2ccccc2)ccc1OS(=O)(=O)c1cc(C)ccc1C	ZINC000254372480	JK	Agent	Mild	 
O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(-c2ccccc2)cc1	ZINC000254372574	JK	Agent	Mild	 
O=C(CSc1nc2ccc(N=Cc3c(O)ccc4ccccc34)cc2s1)Nc1ccccc1F	ZINC000254372724	JK	Agent	Mild	 
Cc1ccc2c(Cl)c(C(=O)NN=Cc3cc4c(cc3Br)OCO4)sc2c1	ZINC000254375898	JK	Agent	Anodyne	 
O=C(c1oc2ccccc2c1CSc1ccc(Cl)cc1)N1CCCSC1=Nc1ccccc1	ZINC000254376161	JK	Agent	Anodyne	 
CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(I)cc2)c1	ZINC000254379466	JK	Agent	Anodyne	 
CCOc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C1CCCC1	ZINC000254379788	JK	Agent	Anodyne	 
CCOc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)C(=O)N1C1CCCC1	ZINC000254379790	JK	Agent	Anodyne	 
COc1cc(Br)cc(C=Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1O	ZINC000254380126	JK	Agent	Anodyne	 
Cc1nn(Cc2ccc(Br)cc2)c(C)c1N=C1SCC(=O)N1CCc1ccccc1	ZINC000254380133	JK	Agent	Anodyne	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2c(F)c(F)cc(F)c2F)o1	ZINC000254380852	JK	Agent	Mild	 
O=C(/C=C\c1ccc(Cl)cc1Cl)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21	ZINC000254381094	JK	Agent	Anodyne	 
Cn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)csc1=Nc1cccc2ccccc12	ZINC000254381245	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Br	ZINC000254381865	JK	Agent	Reactive	aggregator
Cc1ccc(-n2c(C)cc(C=NNC(=O)CNc3ccc(Br)cc3)c2C)c(C)c1	ZINC000254382093	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)C1CC1	ZINC000254382690	JK	Agent	Anodyne	 
CC(=NOCc1nc2c3c4c(sc3ncn2n1)CCCCC4)c1ccc(Br)cc1	ZINC000254383815	JK	Agent	Anodyne	 
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000254384055	JK	Agent	Anodyne	 
CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000254384133	JK	Agent	Anodyne	 
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1N=Cc1ccc(Br)cc1	ZINC000254384161	JK	Agent	Anodyne	 
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1N=Cc1ccc(Br)cc1	ZINC000254384162	JK	Agent	Anodyne	 
O=C(NN=Cc1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccco1	ZINC000254384184	JK	Agent	Reactive	 
O=C(Nc1sc(=Nc2ccccc2)n(Cc2cccnc2)c1-c1ccccc1)c1ccco1	ZINC000254384739	JK	Agent	Anodyne	 
Brc1ccc2nc(NN=Cc3ccc4ncccc4c3)nc(-c3ccccc3)c2c1	ZINC000254385015	JK	Agent	Anodyne	 
Cc1ccccc1OCc1ccc(C=NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)o1	ZINC000254385116	JK	Agent	Anodyne	 
Cc1ccccc1OCc1ccc(C=NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)o1	ZINC000254385119	JK	Agent	Anodyne	 
COc1ccc(N=c2scc(CSc3nc4ccccc4o3)n2Cc2ccccc2)cc1	ZINC000254385186	JK	Agent	Anodyne	 
C[C@H]1CCc2sc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)cc2C1	ZINC000254385575	JK	Agent	Reactive	 
C[C@@H]1CCc2sc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)cc2C1	ZINC000254385581	JK	Agent	Reactive	 
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(C(F)(F)F)cc1	ZINC000254385650	JK	Agent	Mild	 
COc1cc(C=Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1OCc1ccc(Cl)cc1	ZINC000254385798	JK	Agent	Anodyne	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1	ZINC000254385851	JK	Agent	Anodyne	 
Cc1c(N=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000254386123	JK	Agent	Mild	 
COc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3F)C(=Nc3ccc(F)cc3)S2)cc1	ZINC000254386212	JK	Agent	Anodyne	 
COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3F)C(=Nc3ccc(F)cc3)S2)cc1	ZINC000254386213	JK	Agent	Anodyne	 
CNc1ccccc1C(C)(C)c1cc(-c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=NO)no1	ZINC000254386730	JK	Agent	Mild	 
O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(SCC(=O)Nc2ccccc2)o1	ZINC000254387121	JK	Agent	Anodyne	 
CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254387756	JK	Agent	Reactive	 
Cc1cccc(Cn2cc(C=Nc3sccc3C(=O)Nc3ccccc3C)c3ccccc32)c1	ZINC000254387845	JK	Agent	Mild	 
C(=NN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1c(-c2ccccc2)nc2ccccn12	ZINC000254387908	JK	Agent	Mild	 
Clc1cccc(Cl)c1C=Nc1ccc(-c2ccc(N=Cc3c(Cl)cccc3Cl)cc2)cc1	ZINC000254390930	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1OC	ZINC000254391003	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1OC	ZINC000254391004	JK	Agent	Anodyne	 
O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(CCc2ccccc2F)C(=Nc2ccc(F)cc2)S1	ZINC000254391660	JK	Agent	Anodyne	 
O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(CCc2ccccc2F)C(=Nc2ccc(F)cc2)S1	ZINC000254391661	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccc1Cl	ZINC000254391743	JK	Agent	Anodyne	 
CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1F	ZINC000254392595	JK	Agent	Anodyne	 
CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1F	ZINC000254392596	JK	Agent	Anodyne	 
CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1F	ZINC000254392597	JK	Agent	Anodyne	 
CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2OC)SC1=Nc1ccc(F)cc1F	ZINC000254392598	JK	Agent	Anodyne	 
Fc1ccc(-c2nc3ccc(N=Cc4ccc(-c5ccc(Br)cc5)o4)cc3o2)cc1	ZINC000254392616	JK	Agent	Anodyne	 
O=C(CN1C(=O)C(=NNc2ccccc2C(F)(F)F)c2cc(Cl)ccc21)Nc1ccccc1F	ZINC000254393041	JK	Agent	Anodyne	 
CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1cccc(OC(F)F)c1	ZINC000254393442	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1c1ccccc1OC	ZINC000254393546	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2)C(=O)N1c1ccccc1OC	ZINC000254393547	JK	Agent	Anodyne	 
O=C(CSc1nc2ccc(N=Cc3c(F)cccc3Cl)cc2s1)NCCc1ccccc1	ZINC000254393555	JK	Agent	Anodyne	 
COC(=O)CCc1sc(NN=C2CCCc3c2[nH]c2ccccc32)nc1-c1ccc(OC)cc1	ZINC000254393656	JK	Agent	Mild	 
FC(F)c1nnc(S)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000254394118	JK	Agent	Anodyne	 
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1c(Cl)cccc1Cl	ZINC000254394228	JK	Agent	Anodyne	 
CC(=NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(N)cc1	ZINC000254394261	JK	Agent	Anodyne	 
O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)N1CCOCC1	ZINC000254394444	JK	Agent	Anodyne	 
Brc1cccc(N=c2oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1	ZINC000254394789	JK	Agent	Anodyne	 
O=C(C[C@H]1S/C(=N/N=Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O)Nc1ccccc1	ZINC000254394849	JK	Agent	Anodyne	 
O=C(C[C@@H]1S/C(=N/N=Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O)Nc1ccccc1	ZINC000254394850	JK	Agent	Anodyne	 
Cc1ccc(C)c(N=C2SCC(C)(C)N2C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1	ZINC000254395501	JK	Agent	Mild	 
COCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(Cl)cc1	ZINC000254396518	JK	Agent	Anodyne	 
COCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(Cl)cc1	ZINC000254396519	JK	Agent	Anodyne	 
CCOc1ccc(C(CC)=NNC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)cc1	ZINC000254396574	JK	Agent	Anodyne	 
CSc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(SC)cc4)c(C)c3)cc2C)cc1	ZINC000254396695	JK	Agent	Mild	 
O=C(CON=Cc1ccco1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000254396895	JK	Agent	Mild	 
O=C(CON=Cc1ccco1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000254396896	JK	Agent	Mild	 
O=C(CON=Cc1ccco1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000254396897	JK	Agent	Mild	 
O=C(CON=Cc1ccco1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000254396898	JK	Agent	Mild	 
O=C(CSc1nnc(C2CCCCC2)o1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000254397758	JK	Agent	Reactive	 
Cc1ccc(N=C2SCCCN2C(=O)c2oc3ccc(Br)cc3c2C)cc1Cl	ZINC000254398049	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc2c(c1)OCCCO2	ZINC000254398086	JK	Agent	Reactive	 
CC(C)(C)c1ccc(C(=O)N=C2N=C3C=CC(I)=CN3Cc3ccccc32)cc1	ZINC000254398355	JK	Agent	Mild	 
Cc1ccc(N=c2scc(-c3cccc(Cl)c3)n2N=C2C(=O)N(C)c3ccccc32)c(C)c1	ZINC000254398476	JK	Agent	Anodyne	 
COc1ccc(-c2n[nH]cc2C=NNC(=O)c2sc3cccc(Br)c3c2Cl)cc1	ZINC000254398688	JK	Agent	Anodyne	 
Cc1cc(C(=O)NN=Cc2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1	ZINC000254398722	JK	Agent	Reactive	 
Cc1occc1C(=O)NN=CC1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1	ZINC000254398776	JK	Agent	Anodyne	 
Cc1occc1C(=O)NN=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1	ZINC000254398778	JK	Agent	Anodyne	 
CC(=NOCC(=O)N(Cc1ccc(Br)cc1)c1ccccc1C(=O)O)c1cccs1	ZINC000254399095	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1cccc(Cl)c1Cl	ZINC000254399730	JK	Agent	Anodyne	 
O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O)Nc1ccccc1	ZINC000254399759	JK	Agent	Anodyne	 
O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(Cc2ccccn2)C1=O)Nc1ccccc1	ZINC000254399762	JK	Agent	Anodyne	 
COc1ccc(-c2csc(=Nc3cccc4ccccc34)n2CCCCO)cc1Br	ZINC000254400977	JK	Agent	Anodyne	 
S=C(NCc1ccccc1)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	ZINC000254401347	JK	Agent	Mild	 
Clc1ccc(NN=Cc2ccc(C=NNc3ccc(Cl)c(Cl)c3)cc2)cc1Cl	ZINC000254401517	JK	Agent	Anodyne	 
CCCCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Br)cc2)o1	ZINC000254402094	JK	Agent	Anodyne	 
FC(F)(F)c1cccc(C=Nn2c(-c3cc4ccccc4o3)csc2=Nc2ccc(Cl)cc2)c1	ZINC000254402290	JK	Agent	Anodyne	 
CCN(Cc1ccccc1)c1ccc(C=NN2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000254402339	JK	Agent	Mild	 
CCN(Cc1ccccc1)c1ccc(C=NN2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1	ZINC000254402341	JK	Agent	Mild	 
COc1ccc(-n2c(N=CN(C)C)c(C#N)sc2=NC(=Nc2ccccc2)c2ccc(C)cc2)cc1	ZINC000254402442	JK	Agent	Mild	 
CC1(C)Nc2ccccc2-c2c1ssc2=Nc1cc(Cl)ccc1Oc1ccccc1	ZINC000254402512	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nn2c(-c3cc4ccccc4o3)csc2=Nc2ccc(F)cc2F)cc1	ZINC000254402571	JK	Agent	Mild	 
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc(-n2ccnc2)cc1	ZINC000254402574	JK	Agent	Reactive	 
O=C(C[C@H]1S/C(=N/N=Cc2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)c1ccc(F)cc1	ZINC000254402756	JK	Agent	Mild	 
O=C(C[C@@H]1S/C(=N/N=Cc2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)c1ccc(F)cc1	ZINC000254402760	JK	Agent	Mild	 
COc1ccc(C(C)=NNc2c(Cl)cc(Cl)cc2Cl)cc1CSc1ncccn1	ZINC000254403016	JK	Agent	Anodyne	 
Oc1c(Br)cc(C=NNc2cc(C(F)(F)F)ccc2Cl)cc1Br	ZINC000254403122	JK	Agent	Anodyne	 
Cc1c(Cl)cccc1N=C1SCCN1Cc1cccc(OCc2ccccc2Cl)c1	ZINC000254403395	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)cc3C)N(CCCc3ccccc3)C2=O)cc1	ZINC000254403396	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)cc3C)N(CCCc3ccccc3)C2=O)cc1	ZINC000254403399	JK	Agent	Anodyne	 
CSC1=NC(=Nc2cccc(C)c2)C2(CCCCC2)N1c1ccc(I)cc1	ZINC000254403577	JK	Agent	Anodyne	 
CCOC(=O)c1c(N=Cc2ccc(Br)cc2)sc(C(=O)N(CC)CC)c1C	ZINC000254404144	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nc2ccccc2OCCOc2ccccc2N=Cc2ccc(C#N)cc2)cc1	ZINC000254405006	JK	Agent	Mild	 
CC(CCc1ccccc1)=Nn1c(-c2ccc(OC(F)F)cc2)csc1=Nc1ccc(C)c(C)c1	ZINC000254405148	JK	Agent	Mild	 
O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1ccc(-c2ccccc2Br)o1	ZINC000254405647	JK	Agent	Anodyne	 
O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3Cl)cc2s1)NC1CCCCC1	ZINC000254406628	JK	Agent	Anodyne	 
COc1ccc(OC)c(C(C)=Nn2c(-c3ccc(F)cc3)csc2=Nc2ccccc2F)c1	ZINC000254406944	JK	Agent	Mild	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(F)cc1Cl	ZINC000254407217	JK	Agent	Anodyne	 
CCOC(=O)c1c(NC(C)=O)sc(C(C)=NNc2cc(C)c3cc(C)cc(C)c3n2)c1C	ZINC000254407564	JK	Agent	Mild	 
O=C(CSc1nn(Cc2ccccc2)c(=NCc2ccccc2)s1)c1c[nH]c2ccccc12	ZINC000254408331	JK	Agent	Anodyne	 
Cc1ccc(-c2nnc(SCC=NNC(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1	ZINC000254408357	JK	Agent	Reactive	 
O=C(NN=CC1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1	ZINC000254408364	JK	Agent	Anodyne	 
CCOc1ccccc1N=C1S[C@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C(CC)CC	ZINC000254409194	JK	Agent	Anodyne	 
CCOc1ccccc1N=C1S[C@@H](CC(=O)Nc2cc(OC)ccc2OC)C(=O)N1C(CC)CC	ZINC000254409198	JK	Agent	Anodyne	 
CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2cccc(Br)c2)cc1	ZINC000254410004	JK	Agent	Mild	 
COc1cc(-c2csc(=Nc3ccccc3F)n2N=Cc2ccco2)cc(OC)c1OC	ZINC000254410052	JK	Agent	Mild	 
Cc1ccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2N=C2CCC[C@@H](C)C2)cc1	ZINC000254411381	JK	Agent	Mild	 
Cc1ccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2N=C2CCC[C@H](C)C2)cc1	ZINC000254411387	JK	Agent	Mild	 
Cc1ccc(C=c2sc(=CC(=O)c3ccccc3Cl)n(Cc3ccc(Cl)cc3)c2=O)cc1	ZINC000254411616	JK	Agent	Anodyne	 
COC(=O)c1cccc2c(C=NNC(=O)CSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c[nH]c12	ZINC000254411714	JK	Agent	Reactive	 
Sc1nc(-c2ccccc2)cn1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000254412309	JK	Agent	Mild	 
COc1ccc(-c2oc(N=Cc3ccc(N(C)C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000254413807	JK	Agent	Mild	 
COc1ccc2ccccc2c1C=Nn1c(-c2cc(C)c(C)cc2C)csc1=NC[C@H]1CCCO1	ZINC000254415918	JK	Agent	Mild	 
COc1ccc2ccccc2c1C=Nn1c(-c2cc(C)c(C)cc2C)csc1=NC[C@@H]1CCCO1	ZINC000254415920	JK	Agent	Mild	 
COc1ccc(C=Nn2c(-c3ccc(Br)s3)csc2=NC2CC2)c(OC)c1OC	ZINC000254416143	JK	Agent	Anodyne	 
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1cc(-c2cccs2)nc2ccccc12	ZINC000254417877	JK	Agent	Mild	 
Cc1cc(-c2cc(N=CN(C)C)n(-c3ccccc3)n2)c(C)n1-c1ccc(Br)cc1	ZINC000254419769	JK	Agent	Anodyne	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(NC(C)=O)cc2)c(C(C)(C)CC)c1	ZINC000254420292	JK	Agent	Reactive	 
CCOc1ccccc1-c1cc(C(=O)ON=C(C)c2ccc(C(C)(C)C)cc2)c2ccccc2n1	ZINC000254423281	JK	Agent	Mild	 
Cc1ccc2sc(-c3ccc(N=Cc4cc(Br)ccc4OC(F)F)cc3)nc2c1	ZINC000254429684	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(C=NNc3ccccc3C(=O)O)=C2N2CCOCC2)cc1	ZINC000254430124	JK	Agent	Mild	 
Cc1ccc(-c2nc3cc(N=Cc4c(C)c(Cl)c(C)c(Br)c4O)ccc3o2)cc1C	ZINC000254438865	JK	Agent	Anodyne	 
N#Cc1c(SCc2ccccc2)nsc1NN=Cc1cccc(I)c1	ZINC000254438880	JK	Agent	Anodyne	 
O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1C(=O)c1ccccc1	ZINC000254439426	JK	Agent	Mild	 
Cn1ncc(N=Cc2ccc(COc3ccc(Cl)c(Cl)c3)o2)c1C(=O)NCc1ccco1	ZINC000254439800	JK	Agent	Anodyne	 
O=C(COc1cccc(C(F)(F)F)c1)N=c1c2c3c(sc2nc2n1CCCCC2)CCCC3	ZINC000254439971	JK	Agent	Anodyne	 
O=c1c(=Cc2cc(Cl)ccc2OCc2c(F)cccc2Cl)sc2nc3ccccc3n12	ZINC000254440105	JK	Agent	Anodyne	 
CCc1ccc(-c2cc(C(=O)NN=C(C)c3ccccc3OC(C)C)c3cccc(Cl)c3n2)cc1	ZINC000254440310	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1Br	ZINC000254440633	JK	Agent	Anodyne	 
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1cc(Cl)ccc1Cl	ZINC000254441857	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=S)Nc1cccc(Cl)c1C	ZINC000254442253	JK	Agent	Anodyne	 
CCCCCCCCCCCCCCCCn1c(N=Cc2ccccc2O)nc2ccccc21	ZINC000254442368	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2\CCC(C=NNC(=S)Nc3ccccc3)=C2N2CCOCC2)cc1	ZINC000254442544	JK	Agent	Mild	 
CCCCSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000254442663	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1cc(C)c(Cl)c(C)c1	ZINC000254442682	JK	Agent	Anodyne	 
CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1	ZINC000254442806	JK	Agent	Anodyne	 
CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1	ZINC000254442809	JK	Agent	Anodyne	 
CCOc1ccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2OC)cc1	ZINC000254443358	JK	Agent	Anodyne	 
COc1ccc(-c2csc(=Nc3ccccc3C(F)(F)F)n2N=Cc2ccc(O)c(O)c2)cc1	ZINC000254443486	JK	Agent	Mild	 
COc1ccc([C@@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4c(C)cccc4C)N32)cc1	ZINC000254443801	JK	Agent	Mild	 
COc1ccc([C@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4c(C)cccc4C)N32)cc1	ZINC000254443804	JK	Agent	Mild	 
O=C1N[C@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1	ZINC000254446827	JK	Agent	Anodyne	 
O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccc(Cl)cc2)N1c1ccc(Cl)cc1	ZINC000254446829	JK	Agent	Anodyne	 
O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1	ZINC000254447095	JK	Agent	Anodyne	 
O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1	ZINC000254447099	JK	Agent	Anodyne	 
O=C(C[C@@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@H]2CCCO2)C1=O)Nc1ccccc1	ZINC000254447105	JK	Agent	Anodyne	 
O=C(C[C@H]1SC(=Nc2ccc(SC(F)F)cc2)N(C[C@@H]2CCCO2)C1=O)Nc1ccccc1	ZINC000254447108	JK	Agent	Anodyne	 
CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000254447581	JK	Agent	Anodyne	 
C[C@@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000254450307	JK	Agent	Anodyne	 
C[C@H](OC(=O)c1ccccc1N=Nc1ccc(O)cc1)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000254450311	JK	Agent	Anodyne	 
Cc1sc2ncnc(NN=Cc3cn(-c4ccccc4)nc3-c3ccc4c(c3)OCCO4)c2c1C	ZINC000254450695	JK	Agent	Mild	 
CN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C(C)c1ccc(C2CCCCC2)cc1	ZINC000254450863	JK	Agent	Mild	 
O=C(CON=Cc1cccc(Oc2ccccc2)c1)Nc1ccccc1Sc1ccccc1	ZINC000254451904	JK	Agent	Mild	 
O=c1c2c3c(sc2nc(SCC(=NO)c2ccc(Cl)cc2)n1Cc1ccccc1)CCCC3	ZINC000254458201	JK	Agent	Anodyne	 
CC1(C)[C@H](C(=O)Nc2ccccc2N=Cc2ccc(Br)cc2)CC[C@]1(C)C(=O)O	ZINC000254461990	JK	Agent	Anodyne	 
CC1(C)[C@@H](C(=O)Nc2ccccc2N=Cc2ccc(Br)cc2)CC[C@@]1(C)C(=O)O	ZINC000254461995	JK	Agent	Anodyne	 
CC1(C)[C@H](C(=O)Nc2ccccc2N=Cc2ccc(Br)cc2)CC[C@@]1(C)C(=O)O	ZINC000254461998	JK	Agent	Anodyne	 
CC1(C)[C@@H](C(=O)Nc2ccccc2N=Cc2ccc(Br)cc2)CC[C@]1(C)C(=O)O	ZINC000254462002	JK	Agent	Anodyne	 
Fc1ccc(C=Nc2ccccc2OCCOc2ccccc2N=Cc2ccc(F)c(F)c2)cc1F	ZINC000254462163	JK	Agent	Mild	 
C=C(C)CN=c1scc(-c2ccc(C)cc2)n1N=Cc1c[nH]c2ccc(Br)cc12	ZINC000254462680	JK	Agent	Anodyne	 
CC[C@@H]1CSC(=Nc2ccc(Cl)cc2)N1C(=O)COc1cc(C)c(Cl)cc1C(C)C	ZINC000254464202	JK	Agent	Anodyne	 
CC[C@H]1CSC(=Nc2ccc(Cl)cc2)N1C(=O)COc1cc(C)c(Cl)cc1C(C)C	ZINC000254464204	JK	Agent	Anodyne	 
COCCN=c1scc(-c2ccc(Cl)c(Cl)c2)n1N=Cc1ccc(SC)cc1	ZINC000254467466	JK	Agent	Anodyne	 
Cc1ccc(-n2c(C)cc(C=Nn3c(S)nnc3Cc3cccc4ccccc34)c2C)cc1C	ZINC000254467893	JK	Agent	Mild	 
CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000254468440	JK	Agent	Anodyne	 
COc1cc(C=NNc2nc3ccccc3n2Cc2ccccc2)ccc1OCc1ccccc1	ZINC000254472949	JK	Agent	Mild	 
Cc1ccc(N=c2scc(-c3ccc(O)c(C(N)=O)c3)n2CCCc2ccccc2)cc1Cl	ZINC000254475588	JK	Agent	Anodyne	 
Cc1ccc(-c2csc3ncn(N=Cc4cn(-c5ccccc5)nc4-c4cccnc4)c(=O)c23)cc1	ZINC000254477908	JK	Agent	Mild	 
COc1ccc(-c2csc(=Nc3ccccc3C(F)(F)F)n2N=C(C)c2ccco2)cc1	ZINC000254478041	JK	Agent	Mild	 
Cc1cccc(Cn2cc(C=Nc3sccc3C(=O)NCc3ccco3)c3ccccc32)c1	ZINC000254478090	JK	Agent	Mild	 
N#Cc1c(NC(=O)CON=Cc2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1	ZINC000254478212	JK	Agent	Anodyne	 
O=C(CCCCCCC(=O)NN=Cc1ccc(Cl)s1)NN=Cc1ccc(Cl)s1	ZINC000254478439	JK	Agent	Anodyne	 
COc1ccc(CN(N=Nc2nonc2-c2ccccc2)c2nonc2-c2ccccc2)cc1	ZINC000254478867	JK	Agent	Clean	 
COc1ccc(-c2oc(N=Cc3ccccc3C(F)(F)F)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000254479022	JK	Agent	Mild	 
Brc1cccc(-c2csc(=NCc3ccccc3)n2N=C2CCCCCCC2)c1	ZINC000254479105	JK	Agent	Anodyne	 
O=C1c2ccccc2C(=O)c2cc(N=Cc3sc(N4CCOCC4)nc3-c3ccccc3)ccc21	ZINC000254479243	JK	Agent	Mild	 
O=C(CSc1nc2ccc(N=Cc3cc(Br)ccc3O)cc2s1)Nc1ccccc1	ZINC000254479347	JK	Agent	Anodyne	 
CCCCCCCCc1ccc(-c2ccc(-c3cn(N=Cc4ccccc4)c(N)n3)cc2)cc1	ZINC000254479650	JK	Agent	Mild	 
O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[C@H]1COc2ccccc2O1	ZINC000254480009	JK	Agent	Anodyne	 
O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[C@@H]1COc2ccccc2O1	ZINC000254480011	JK	Agent	Anodyne	 
C=C(C)CN=c1scc(-c2ccc(OC(F)F)cc2)n1N=C(C)c1ccc(C(C)(C)C)cc1	ZINC000254480057	JK	Agent	Mild	 
CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000254480134	JK	Agent	Mild	 
CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000254480136	JK	Agent	Mild	 
FC(F)(F)c1cnc(NN=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)c(Cl)c1	ZINC000254480226	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)cc(OC)c1OC	ZINC000254480785	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N=c2sccn2Cc2ccc(Cl)cc2Cl)cc(OC)c1OC	ZINC000254480786	JK	Agent	Anodyne	 
Cc1ccccc1N=C1SCCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	ZINC000254481847	JK	Agent	Anodyne	 
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2	ZINC000254482811	JK	Agent	Reactive	 
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2	ZINC000254482813	JK	Agent	Reactive	 
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1ccc(OC(F)(F)Cl)cc1	ZINC000254483764	JK	Agent	Anodyne	 
CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)SC1=Nc1ccc(OC(F)(F)Cl)cc1	ZINC000254483765	JK	Agent	Anodyne	 
O=C(NN=Cc1sc(Nc2ccccc2)nc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000254484074	JK	Agent	Anodyne	 
Clc1cccc(C=Nc2ccc3oc(-c4cccc(I)c4)nc3c2)c1	ZINC000254484692	JK	Agent	Anodyne	 
O=c1c2c(-c3ccccc3)csc2ncn1N=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1	ZINC000254485168	JK	Agent	Mild	 
O=c1c2c(-c3ccccc3)csc2ncn1N=C1C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1	ZINC000254485169	JK	Agent	Mild	 
Cc1ccc(NC(=O)CSc2nc3ccc(N=Cc4cc(Cl)ccc4O)cc3s2)c(C)c1	ZINC000254485348	JK	Agent	Anodyne	 
Cc1ccc(-c2csc3nc(C)n(N=Cc4ccc(OC(F)F)cc4OC(F)F)c(=O)c23)cc1	ZINC000254485681	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)N=C2c3ccccc3CN2c2ccc(SC(F)F)cc2)cc1	ZINC000254485732	JK	Agent	Mild	 
CCN=c1scc(-c2ccc(F)cc2)n1N=Cc1cc(Br)c(O)c(Br)c1	ZINC000254486236	JK	Agent	Anodyne	 
COCCN=c1scc(-c2ccc(C3CCCCC3)cc2)n1N=C(C)c1ccc2c(c1)OCO2	ZINC000254486247	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=Nn1cnc2scc(-c3ccccc3)c2c1=O	ZINC000254486445	JK	Agent	Mild	 
CCCCCN1C(=O)C(=Nn2c(-c3ccccc3F)csc2=NC2CCCCC2)c2ccccc21	ZINC000254486502	JK	Agent	Mild	 
Cc1ccc(C=Nn2c(-c3ccc(C4CCCCC4)cc3)csc2=Nc2ccc(F)cc2F)s1	ZINC000254487037	JK	Agent	Mild	 
C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1ccccc1C	ZINC000254487345	JK	Agent	Anodyne	 
C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)SC1=Nc1ccccc1C	ZINC000254487346	JK	Agent	Anodyne	 
O=C(N=C1N=C2C=CC(I)=CN2Cc2ccccc21)c1ccc(Cl)s1	ZINC000254487399	JK	Agent	Anodyne	 
Cc1ccc(/C(N=c2sc3ccccc3n2-c2ccccc2)=N/CS(=O)(=O)c2ccccc2)cc1	ZINC000254487492	JK	Agent	Mild	 
O=C1[C@H](Cc2cc(Cl)ccc2Cl)SC(=NN=Cc2ccccc2O)N1Cc1ccco1	ZINC000254487745	JK	Agent	Anodyne	 
O=C1[C@@H](Cc2cc(Cl)ccc2Cl)SC(=NN=Cc2ccccc2O)N1Cc1ccco1	ZINC000254487746	JK	Agent	Anodyne	 
CCN(c1ccccc1)S(=O)(=O)c1cccc(N=Cc2ccccc2OC(F)F)c1Cl	ZINC000254487818	JK	Agent	Anodyne	 
CC(C)COc1ccc(Br)cc1C=Nc1sccc1C(=O)NCc1ccco1	ZINC000254489083	JK	Agent	Anodyne	 
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)c1nn(Cc2ccccc2)c(=O)c2ccccc12	ZINC000254489341	JK	Agent	Reactive	 
CCOc1ccc(Oc2c(C=NNc3nc4ccccc4[nH]3)c(C)nn2-c2ccccc2)cc1	ZINC000254489656	JK	Agent	Mild	 
Cc1cc(C=NNC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1	ZINC000254490072	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254490213	JK	Agent	Reactive	 
CCN(CC)c1nc(NN=Cc2cccc3ccccc23)nc(Nc2ccc(C)c(Cl)c2)n1	ZINC000254490623	JK	Agent	Anodyne	 
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1	ZINC000254490740	JK	Agent	Anodyne	 
Clc1ccc(C=NOCc2ccc(CON=Cc3ccc(Cl)c(Cl)c3)cc2)cc1Cl	ZINC000254491071	JK	Agent	Anodyne	 
Cc1cccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1	ZINC000254492039	JK	Agent	Anodyne	 
Cc1cccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2CC(C)C)c1	ZINC000254492041	JK	Agent	Anodyne	 
Cc1ccccc1N=C1S[C@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@@H]1CCCO1	ZINC000254492379	JK	Agent	Anodyne	 
Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C[C@@H]1CCCO1	ZINC000254492381	JK	Agent	Anodyne	 
O=[N+]([O-])c1ccc(NN=C2/C(=C\c3cccc4ccccc34)CCc3ccccc32)c([N+](=O)[O-])c1	ZINC000254492927	JK	Agent	Mild	 
CC[C@H]1CSC(=Nc2ccc(Cl)cc2)N1C(=O)c1ccccc1SCc1c(C)noc1C	ZINC000254494618	JK	Agent	Anodyne	 
CC[C@@H]1CSC(=Nc2ccc(Cl)cc2)N1C(=O)c1ccccc1SCc1c(C)noc1C	ZINC000254494620	JK	Agent	Anodyne	 
O=c1c(=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)sc2nc3ccccc3n12	ZINC000254495000	JK	Agent	Anodyne	 
O=c1c(=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)sc2nc3ccccc3n12	ZINC000254495001	JK	Agent	Anodyne	 
Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=Cc3ccc4c(c3)OCO4)c2c1	ZINC000254498766	JK	Agent	Reactive	 
CC(=O)c1ccc(NC(=O)C[C@@H]2SC(=Nc3ccc(C)c(Cl)c3)N(C(C)C)C2=O)cc1	ZINC000254498927	JK	Agent	Anodyne	 
CC(=O)c1ccc(NC(=O)C[C@H]2SC(=Nc3ccc(C)c(Cl)c3)N(C(C)C)C2=O)cc1	ZINC000254498932	JK	Agent	Anodyne	 
COc1ccc(C=Nc2sc3c(c2C#N)CCCC3)cc1Cn1cc(Br)cn1	ZINC000254499715	JK	Agent	Anodyne	 
Oc1c(Br)ccc(C=Nn2c(S)nnc2-c2ccccc2Cl)c1Br	ZINC000254499738	JK	Agent	Anodyne	 
Cc1sc2ncn(N=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)c(=O)c2c1C	ZINC000254500348	JK	Agent	Mild	 
Sc1nnc(Cc2cccc3ccccc23)n1N=Cc1sc(Nc2ccccc2)nc1Cl	ZINC000254500522	JK	Agent	Anodyne	 
Clc1cc(Cl)c(NN=CC2=C(Sc3nc4ccccc4o3)CCCC2)c(Cl)c1	ZINC000254500621	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1	ZINC000254501121	JK	Agent	Reactive	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2C(=O)O)c(C(C)(C)CC)c1	ZINC000254501186	JK	Agent	Reactive	 
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)c1ccc(Br)s1	ZINC000254501425	JK	Agent	Anodyne	 
O=C1C(=NNc2ccc(Br)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21	ZINC000254501857	JK	Agent	Anodyne	 
CC(C)CN1C(=O)C(=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)c2ccccc21	ZINC000254503813	JK	Agent	Reactive	 
CCCCN(C=Nc1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CCCC	ZINC000254504707	JK	Agent	Mild	 
Cc1ccc(=NC(=O)c2cccc(C(F)(F)F)c2)n(C(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000254504994	JK	Agent	Anodyne	 
O=C1CSC(=Nc2nn(Cc3c(F)cccc3Cl)cc2Cl)N1CCc1ccccc1	ZINC000254505007	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(C(C)(C)C)cc1	ZINC000254505139	JK	Agent	Mild	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccc(OC(F)F)cc2)c(C(C)(C)CC)c1	ZINC000254505833	JK	Agent	Reactive	 
Fc1cccc(Cl)c1COc1ccc(C=NNc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1	ZINC000254506118	JK	Agent	Anodyne	 
COc1ccc(C=NNC(=S)NC2CCCCC2)cc1CSc1nc(C)cc(C(F)F)n1	ZINC000254506187	JK	Agent	Mild	 
CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=Nc3ccc(F)cc3)oc2c1	ZINC000254507342	JK	Agent	Anodyne	 
FC(F)(F)c1cccc(-c2csc(=Nc3ccccc3Cl)n2N=Cc2ccncc2)c1	ZINC000254507508	JK	Agent	Anodyne	 
Cc1ccc(-c2cc(N=Cc3ccc(OCc4ccc(Cl)cc4)cc3)n(-c3ccccc3)n2)cc1	ZINC000254507959	JK	Agent	Anodyne	 
Oc1ccc(Cl)cc1C=Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000254508124	JK	Agent	Anodyne	 
Fc1cccc(Cl)c1-c1nnc2ccc(NN=Cc3c[nH]c4ccc(Br)cc34)nn12	ZINC000254508391	JK	Agent	Anodyne	 
C=CCN=c1scc(-c2ccc(OC(F)F)cc2)n1N=Cc1ccc(Cl)cc1Cl	ZINC000254508664	JK	Agent	Anodyne	 
C=CCN1C(=O)C(=NN=Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)c2ccccc21	ZINC000254508892	JK	Agent	Mild	 
Cc1cc(C=NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccccc1	ZINC000254508989	JK	Agent	Reactive	 
COc1ccc(-c2nn(-c3ccccc3)cc2C=NN(Cc2ccccc2)c2ccccc2)cc1OC	ZINC000254509318	JK	Agent	Mild	 
C=CCSc1nc2ccc(N=Cc3ccc(Sc4nnnn4-c4ccccc4)o3)cc2s1	ZINC000254509348	JK	Agent	Mild	 
CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1	ZINC000254510062	JK	Agent	Anodyne	 
CCOc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3F)C(=O)N2Cc2ccccc2)cc1	ZINC000254510063	JK	Agent	Anodyne	 
Cc1sc2nc(-c3sc(=NC(=Nc4ccccc4)c4ccccc4)n(C)c3N)nc(O)c2c1C	ZINC000254510730	JK	Agent	Mild	 
FC(F)(F)c1cnc(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(Cl)c1	ZINC000254510937	JK	Agent	Anodyne	 
CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254511942	JK	Agent	Anodyne	 
CC(=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1Br	ZINC000254512749	JK	Agent	Anodyne	 
COc1cc(-c2csc(=Nc3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc(OC)c1OC	ZINC000254513264	JK	Agent	Anodyne	 
COc1cc(-c2csc(=Nc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc(OC)c1OC	ZINC000254513267	JK	Agent	Anodyne	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000254513821	JK	Agent	Anodyne	 
O=C1/C(=C/c2ccc(OC(F)F)cc2)SC(=S)N1N=Cc1ccc(OC(F)F)cc1	ZINC000254513981	JK	Agent	Mild	 
O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1N=Cc1ccc(OC(F)F)cc1	ZINC000254513985	JK	Agent	Mild	 
Clc1ccc(CN2CCN(N=Cc3cn(-c4ccccc4)nc3-c3cccs3)CC2)cc1	ZINC000254514548	JK	Agent	Anodyne	 
Cc1c(Br)cc(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1Br	ZINC000254514954	JK	Agent	Anodyne	 
CC(=NOCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1)c1cccs1	ZINC000254516294	JK	Agent	Mild	 
O=C(N=C1N=C2C=CC=CN2Cc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccs1	ZINC000254516332	JK	Agent	Mild	 
CCn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)csc1=Nc1ccc(C)c(C)c1	ZINC000254516596	JK	Agent	Anodyne	 
Cc1[nH]c2ccccc2c1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	ZINC000254517524	JK	Agent	Reactive	 
CCN(CC)c1nc(NN=Cc2ccc(Br)cc2)nc(Nc2ccc(C)c(Cl)c2)n1	ZINC000254518829	JK	Agent	Anodyne	 
CSc1cccc(N=c2c(C(=O)Nc3cccc(SC)c3)cn3c4c(cccc24)CCC3)c1	ZINC000254518858	JK	Agent	Anodyne	 
O=S(=O)(NN=Cc1cccc(OCc2cccc3ccccc23)c1)c1ccc2ccccc2c1	ZINC000254519058	JK	Agent	Mild	 
Cc1ccc(N=C2SCCCN2C(=O)CCNC(=O)c2ccccc2Cl)cc1Cl	ZINC000254520023	JK	Agent	Anodyne	 
CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1cc(C)ccc1C	ZINC000254520732	JK	Agent	Anodyne	 
FC(F)(F)c1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(Cl)c1	ZINC000254521270	JK	Agent	Anodyne	 
CC(=O)N(N=Cc1ccc(C)cc1)c1nc(COC(=O)Cc2cccc3ccccc23)cs1	ZINC000254521408	JK	Agent	Reactive	 
O=C(NCc1ccco1)c1ccsc1N=Cc1cn(Cc2ccccc2F)c2ccccc12	ZINC000254521959	JK	Agent	Mild	 
Cc1ccc(-n2c(C)cc(C=NNC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2C)cc1	ZINC000254521998	JK	Agent	Reactive	 
CCOc1ccc(C=NOCc2cccc(CON=Cc3ccc(OCC)c(OC)c3)c2)cc1OC	ZINC000254522142	JK	Agent	Mild	 
O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccccc2)S1	ZINC000254522155	JK	Agent	Anodyne	 
O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C(=Nc2ccccc2)S1	ZINC000254522164	JK	Agent	Anodyne	 
Cc1ccc(COc2ccc(C=Nc3cc(-c4ccc(C)cc4)nn3-c3ccccc3)cc2)cc1	ZINC000254523353	JK	Agent	Mild	 
CC(=NOC(=O)N(Cc1ccc(Br)cc1)c1ccccc1C(=O)O)c1cccs1	ZINC000254523620	JK	Agent	Anodyne	 
COc1ccc(C=NOCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1	ZINC000254524367	JK	Agent	Mild	 
OCCCCn1c(-c2ccc(Br)cc2)csc1=Nc1cccc2ccccc12	ZINC000254525285	JK	Agent	Anodyne	 
Oc1ccc(Br)cc1C=Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1	ZINC000254525943	JK	Agent	Anodyne	 
Cc1nc2ccccn2c1C(=O)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	ZINC000254527188	JK	Agent	Reactive	 
CCc1cccc(CC)c1N=c1scc(-c2ccc(Cl)s2)n1CCc1ccc(Cl)cc1	ZINC000254527426	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(-c3cc4ccccc4o3)csc2=Nc2ccccc2OC)cc1O	ZINC000254528018	JK	Agent	Mild	 
COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1CSc1nc(C(F)F)cc(C)c1C#N	ZINC000254530275	JK	Agent	Mild	 
CC(=O)Nc1cccc(C(C)=Nn2c(-c3ccc(F)cc3)csc2=Nc2ccc(C)c(C)c2)c1	ZINC000254530707	JK	Agent	Mild	 
CSc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(SC)cc4)cc3)cc2)cc1	ZINC000254532120	JK	Agent	Mild	 
Cc1nn(C)c(C)c1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2	ZINC000254532545	JK	Agent	Mild	 
Cc1nn(C)c(C)c1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2	ZINC000254532550	JK	Agent	Mild	 
Clc1ccc(N=C2SCC(c3cc4ccccc4o3)=NN2Cc2ccccc2)cc1Cl	ZINC000254533679	JK	Agent	Anodyne	 
COc1ccc(C=NN=c2scc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)c(OC)c1	ZINC000254545942	JK	Agent	Mild	 
COc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)csc2=Nc2ccccc2)cc1	ZINC000254548146	JK	Agent	Anodyne	 
CC(=O)c1cccc(NC(=O)C[C@@H]2SC(=Nc3ccc(Cl)cc3)N(Cc3ccccn3)C2=O)c1	ZINC000254555083	JK	Agent	Anodyne	 
COc1ccc2c(Cl)c(C(=O)NN=C(C)c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1	ZINC000254555531	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254555634	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254555635	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254555636	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254555637	JK	Agent	Reactive	 
C=CCN=c1scc(-c2ccc(Br)s2)n1N=Cc1ccccc1OC(F)F	ZINC000254555690	JK	Agent	Anodyne	 
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N=C5N=C6C=CC=CN6Cc6ccccc65)(C4)C2)C3)cc1	ZINC000254555849	JK	Agent	Mild	 
Oc1c(Br)cc(C=NN=C(c2ccccc2)c2ccccc2)cc1Br	ZINC000254556174	JK	Agent	Anodyne	 
Clc1ccc(NN=Cc2cccc(C=NNc3ccc(Cl)c(Cl)c3)c2)cc1Cl	ZINC000254556447	JK	Agent	Anodyne	 
COc1ccc2c(Cl)c(C(=O)NN=Cc3cc(C)n(-c4ccc(C)cc4)c3C)sc2c1	ZINC000254556463	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)C[C@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cccnc3)C2=O)cc1	ZINC000254556497	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)C[C@@H]2SC(=Nc3cc(C)ccc3C)N(Cc3cccnc3)C2=O)cc1	ZINC000254556498	JK	Agent	Anodyne	 
COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OC(=O)c1ccccc1F	ZINC000254556804	JK	Agent	Reactive	 
COc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OC(=O)c1ccccc1F	ZINC000254556805	JK	Agent	Reactive	 
CCCCN(CCCC)CN1C(=O)C(=NNC(=O)c2ccc(C)cc2)c2cc(Br)ccc21	ZINC000254557031	JK	Agent	Anodyne	 
COCCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccc(SC)cc1	ZINC000254557255	JK	Agent	Anodyne	 
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	ZINC000254559185	JK	Agent	Mild	 
COc1cc(C=Nc2sc3c(c2C#N)CCCC3)c(Br)c(Br)c1O	ZINC000254559238	JK	Agent	Anodyne	 
COc1ccc(OC)c(-c2csc(=Nc3cccc(C)c3C)n2N=Cc2ccc(C#N)cc2)c1	ZINC000254559261	JK	Agent	Mild	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(C#N)cc2)c(C(C)(C)CC)c1	ZINC000254559853	JK	Agent	Reactive	 
Cc1c(N=Cc2cn(-c3ccccc3)nc2-c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000254560459	JK	Agent	Mild	 
Fc1ccccc1NC(=S)NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000254565612	JK	Agent	Mild	 
FC(F)Oc1ccc(-c2csc(=Nc3cccnc3)n2N=Cc2ccc3c(c2)OCO3)cc1	ZINC000254565802	JK	Agent	Mild	 
COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1cccc(Cl)c1Cl	ZINC000254566055	JK	Agent	Anodyne	 
CC(=NN=C(c1ccccc1)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000254566274	JK	Agent	Mild	 
Cc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc(Br)cc(Br)c1O	ZINC000254566700	JK	Agent	Anodyne	 
COc1ccc(-c2csc(=Nc3ccc(C)cc3C)n2N=C2CCCCc3ccccc32)cc1	ZINC000254567205	JK	Agent	Mild	 
Cc1ccc2c(c1)-c1c(ssc1=Nc1ccc(C(C)C)cc1)C(C)(C)N2C(=O)c1ccco1	ZINC000254567385	JK	Agent	Anodyne	 
C[C@@H]1CCCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C1	ZINC000254567495	JK	Agent	Anodyne	 
C[C@H]1CCCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C1	ZINC000254567498	JK	Agent	Anodyne	 
O=C(COc1ccc2ccccc2c1)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21	ZINC000254568037	JK	Agent	Mild	 
C[C@H](NC(=O)CSc1nc2ccc(N=Cc3cc(Cl)ccc3O)cc2s1)c1ccccc1	ZINC000254568145	JK	Agent	Anodyne	 
C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3cc(Cl)ccc3O)cc2s1)c1ccccc1	ZINC000254568147	JK	Agent	Anodyne	 
C(=Nc1ccc(Cc2ccncc2)cc1)c1ccc(C=Nc2ccc(Cc3ccncc3)cc2)cc1	ZINC000254568641	JK	Agent	Mild	 
O=C(Nc1ccccc1F)[C@H]1CC(=O)N(CCc2ccccc2F)C(=Nc2ccc(F)cc2)S1	ZINC000254568784	JK	Agent	Anodyne	 
O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CCc2ccccc2F)C(=Nc2ccc(F)cc2)S1	ZINC000254568785	JK	Agent	Anodyne	 
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=C3CCSc4ccc(F)cc43)cc2)c1	ZINC000254570529	JK	Agent	Reactive	 
COc1cc(-c2ccc(N=Cc3ccc(C#N)cc3)c(OC)c2)ccc1N=Cc1ccc(C#N)cc1	ZINC000254571872	JK	Agent	Mild	 
COc1ccc([C@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4ccccc4C)N32)cc1	ZINC000254572797	JK	Agent	Mild	 
COc1ccc([C@@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4ccccc4C)N32)cc1	ZINC000254572800	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254573539	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254573540	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254573541	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C	ZINC000254573542	JK	Agent	Anodyne	 
Oc1ccc(N(C(=Nc2ccc(Br)cc2)c2ccccc2)c2ccc(O)cc2)cc1	ZINC000254577218	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	ZINC000254577519	JK	Agent	Anodyne	 
O=C(C[C@@H]1SC(=Nc2cccnc2)N(C2CCCCC2)C1=O)Nc1ccc(Br)cc1	ZINC000254578149	JK	Agent	Anodyne	 
O=C(C[C@H]1SC(=Nc2cccnc2)N(C2CCCCC2)C1=O)Nc1ccc(Br)cc1	ZINC000254578150	JK	Agent	Anodyne	 
COc1ccccc1C=NNc1cc(C)nc(-c2cc(Br)cc(Br)c2O)n1	ZINC000254578285	JK	Agent	Anodyne	 
CCOc1ccc(OCc2ccc(C(=O)NN=C(C)c3ccc(C4CCCCC4)cc3)cc2)cc1	ZINC000254578293	JK	Agent	Reactive	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(Cl)s2)c(C(C)(C)CC)c1	ZINC000254578997	JK	Agent	Anodyne	 
O=C(c1ccc(F)cc1)c1cccc(N=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)c1	ZINC000254582969	JK	Agent	Mild	 
COc1ccc(-c2nn(-c3ccccc3)cc2C=Nn2cnc3sc4c(c3c2=O)CCCC4)cc1	ZINC000254592088	JK	Agent	Mild	 
CCOc1cc(C=Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1Cl	ZINC000254592512	JK	Agent	Anodyne	 
CCOc1cc(C=NNS(=O)(=O)c2ccccc2)ccc1OCc1cccc2ccccc12	ZINC000254592685	JK	Agent	Mild	 
O=C(Cc1cn2ccsc2n1)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	ZINC000254595722	JK	Agent	Reactive	 
Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccc(I)cc1	ZINC000254596435	JK	Agent	Anodyne	 
O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccc(Br)cc1	ZINC000254596784	JK	Agent	Anodyne	 
Cc1ccc(C=c2sc(=CC(=O)c3cc(C)cc(C)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1	ZINC000254597823	JK	Agent	Anodyne	 
COc1ccc(Cn2c(-c3cc4ccccc4o3)csc2=Nc2ccccc2F)cc1OC	ZINC000254600767	JK	Agent	Anodyne	 
O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000254600852	JK	Agent	Reactive	aggregator
O=C(NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1c[nH]c2ccccc12	ZINC000254601663	JK	Agent	Reactive	 
Cn1ncc(N=Cc2ccc(COc3cccc(Cl)c3Cl)o2)c1C(=O)NCc1ccco1	ZINC000254601704	JK	Agent	Anodyne	 
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N=c2sc3ccccc3n2C)ccc1Cl	ZINC000254605586	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=S)Nc3ccccc3C(F)(F)F)c2C)cc1	ZINC000254605986	JK	Agent	Mild	 
Cc1cc(C=NNC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl	ZINC000254607899	JK	Agent	Anodyne	 
CN1C(=O)C(=Nn2c(-c3ccc(Cl)c(Cl)c3)csc2=Nc2ccc(F)cc2)c2ccccc21	ZINC000254611617	JK	Agent	Anodyne	 
Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N=C2CCCN2c2c(Cl)cccc2Cl)c1	ZINC000254611913	JK	Agent	Anodyne	 
Cc1ccc(C)n1-c1cccc(C(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)c1	ZINC000254612260	JK	Agent	Anodyne	 
CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc2ncccc2c1	ZINC000254612636	JK	Agent	Anodyne	 
CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc2ncccc2c1	ZINC000254612637	JK	Agent	Anodyne	 
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=NNC(=O)c1ccccc1Br	ZINC000254614592	JK	Agent	Anodyne	 
CCOc1cc(C=NN(c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)N(C)C	ZINC000254614801	JK	Agent	Anodyne	 
Cc1ccc2oc(-c3cc(N=Cc4cccc(I)c4O)ccc3O)nc2c1	ZINC000254614880	JK	Agent	Anodyne	 
CCOc1ccc2cc(C=NNc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(Cl)nc2c1	ZINC000254615770	JK	Agent	Anodyne	 
COc1ccc(N=c2scc(-c3ccc4c(c3)NC(=O)CO4)n2CCC2=CCCCC2)cc1	ZINC000254616818	JK	Agent	Anodyne	 
Brc1ccc(N=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1	ZINC000254616839	JK	Agent	Anodyne	 
CN1CCc2c(sc(N=Cc3cc(Br)cc(Cl)c3O)c2C(=O)OC(C)(C)C)C1	ZINC000254616963	JK	Agent	Anodyne	 
COc1ccc(CN=c2scc(-c3c(C)cc(C)cc3C)n2N=Cc2c[nH]c3ccccc23)cc1	ZINC000254617191	JK	Agent	Mild	 
O=C(NN=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc2ccccc12	ZINC000254617266	JK	Agent	Reactive	 
Cc1ccc(NC(=S)NN=CC2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)c(C)c1	ZINC000254617621	JK	Agent	Anodyne	 
Cc1ccc(NC(=S)NN=CC2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)c(C)c1	ZINC000254617622	JK	Agent	Anodyne	 
CC(=Nn1c(-c2ccc(Cl)cc2Cl)csc1=NCc1ccccc1)c1ccccc1	ZINC000254617980	JK	Agent	Anodyne	 
CCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]nc1-c1ccc(OC)cc1	ZINC000254618047	JK	Agent	Reactive	 
COc1cc(C=NOCc2ccc(-c3ccc(Br)cc3)o2)ccc1OC(F)F	ZINC000254618886	JK	Agent	Anodyne	 
C=CCN=c1scc(-c2cc3ccccc3o2)n1N=Cc1ccccc1I	ZINC000254619273	JK	Agent	Anodyne	 
O=C(NN=Cc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1Br	ZINC000254619982	JK	Agent	Anodyne	 
Cc1nc2sc3c(c2c(=O)n1N=C1C=C(c2ccccc2)[C@](O)(c2ccccc2)C1)CCCC3	ZINC000254620551	JK	Agent	Mild	 
Cc1nc2sc3c(c2c(=O)n1N=C1C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1)CCCC3	ZINC000254620552	JK	Agent	Mild	 
COCCN=c1scc(-c2ccc(-c3ccccc3)cc2)n1N=Cc1ccc(C(C)C)cc1	ZINC000254622071	JK	Agent	Mild	 
COCCN=c1scc(-c2ccc(C3CCCCC3)cc2)n1N=Cc1c[nH]c2ccccc12	ZINC000254623144	JK	Agent	Mild	 
O=C(N=C1S[C@@H]2c3cccc4cccc(c34)[C@@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000254623475	JK	Agent	Mild	 
O=C(N=C1S[C@@H]2c3cccc4cccc(c34)[C@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000254623479	JK	Agent	Mild	 
O=C(N=C1S[C@H]2c3cccc4cccc(c34)[C@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000254623483	JK	Agent	Mild	 
O=C(N=C1S[C@H]2c3cccc4cccc(c34)[C@@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000254623487	JK	Agent	Mild	 
Cc1ccc(=NC(=O)c2cc3c(s2)CCCCC3)n(C(=O)c2cc3c(s2)CCCCC3)c1	ZINC000254624955	JK	Agent	Anodyne	 
O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F	ZINC000254625643	JK	Agent	Mild	aggregator
O=C(C[C@H]1SC(=Nc2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F	ZINC000254625646	JK	Agent	Mild	aggregator
COc1ccc2c(c1)-c1c(ssc1=Nc1ccc(I)cc1)C(C)(C)N2	ZINC000254625979	JK	Agent	Anodyne	 
CC(=NNC(=S)Nc1ccc(F)cc1F)c1cccc(NC(=O)c2ccc(Cl)s2)c1	ZINC000254626358	JK	Agent	Anodyne	 
CCOc1ccc(Oc2c(C=NNc3ncnc4sc(C)c(C)c34)c(C)nn2-c2ccccc2)cc1	ZINC000254626392	JK	Agent	Mild	 
Cc1ccc(N=C2SCCCN2C(=O)CCCSc2nc3ccccc3s2)cc1Cl	ZINC000254627120	JK	Agent	Anodyne	 
COc1cccc(-c2nc3cc(N=Cc4cc(Br)cc(Cl)c4O)ccc3o2)c1	ZINC000254627870	JK	Agent	Anodyne	 
CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1N=Cc1ccc(OCC)cc1	ZINC000254628137	JK	Agent	Mild	 
CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000254628457	JK	Agent	Anodyne	 
CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(Cl)c(C(F)(F)F)c1	ZINC000254628462	JK	Agent	Anodyne	 
C(=Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1)c1ccc(-c2ncc(-c3ccccc3)o2)cc1	ZINC000254629802	JK	Agent	Mild	 
Fc1cccc(Cl)c1C=Nc1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1	ZINC000254631139	JK	Agent	Anodyne	 
CC(=NNC(=O)CSCc1ccc(F)cc1Cl)c1cccc(NC(=O)c2sccc2C)c1	ZINC000254631180	JK	Agent	Anodyne	 
C(=Nn1c(-c2ccc(-c3ccccc3)cc2)csc1=NCCc1ccccc1)c1ccccn1	ZINC000254631211	JK	Agent	Mild	 
O=C(/C=C\c1ccc(Br)o1)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21	ZINC000254631690	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(Br)o1)N=C1N=C2C=CC(Br)=CN2Cc2ccccc21	ZINC000254631694	JK	Agent	Anodyne	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000254632141	JK	Agent	Anodyne	 
COc1cc(C=NNc2sc3cc(C)ccc3c2Cl)ccc1OCCN1CCOCC1	ZINC000254632745	JK	Agent	Anodyne	 
CCOc1ccccc1N=c1scc(-c2cc3ccccc3o2)n1Cc1ccccc1OC	ZINC000254644410	JK	Agent	Anodyne	 
C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C(C)=NNc2ccccc2)cc1	ZINC000254645149	JK	Agent	Anodyne	 
Cc1ccc(-c2cc(N=Cc3ccccc3OCc3ccccc3Cl)n(-c3ccccc3)n2)cc1	ZINC000254645316	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=S)Nc1ccccc1C(F)(F)F	ZINC000254645547	JK	Agent	Mild	aggregator
O=c1oc2c(Cl)cc(Cl)cc2cc1-c1cnc(NN=Cc2ccc(Br)cc2)s1	ZINC000254646505	JK	Agent	Anodyne	 
Cc1cc(C)c(NC(=O)CON=C2CCCOc3ccc(Br)cc32)c(Cl)c1	ZINC000254647222	JK	Agent	Anodyne	 
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)SC1=Nc1ccc(C)c(Cl)c1	ZINC000254659367	JK	Agent	Anodyne	 
CCN1C(=O)C[C@H](C(=O)Nc2ccc(Br)cc2)SC1=Nc1ccc(C)c(Cl)c1	ZINC000254659370	JK	Agent	Anodyne	 
COc1ccc(-c2csc(=Nc3ccccc3)n2CCc2ccccc2)cc1Br	ZINC000254668846	JK	Agent	Anodyne	 
Cc1ccc(N=C2SCCCN2C(=O)c2ccccc2SCc2c(C)noc2C)cc1Cl	ZINC000254672475	JK	Agent	Anodyne	 
CCn1nc(C)c(C=NNC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1C	ZINC000254678119	JK	Agent	Anodyne	 
CC(=NOCC(=O)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)c1ccc(Cl)c(Cl)c1	ZINC000254679878	JK	Agent	Anodyne	 
O=c1oc2ccc3ccccc3c2cc1-c1csc(NN=Cc2ccc(Br)cc2)n1	ZINC000254679916	JK	Agent	Anodyne	 
CCOc1cc(C=NNc2ccc(C)cc2)c(Br)c(Br)c1OC(C)C	ZINC000254682192	JK	Agent	Anodyne	 
CSc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(SC)cc4)cc3)cc2)cc1	ZINC000254682237	JK	Agent	Mild	 
Cc1ccccc1C[C@@H](C(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1	ZINC000254683131	JK	Agent	Anodyne	 
Cc1ccccc1C[C@H](C(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1	ZINC000254683134	JK	Agent	Anodyne	 
Cc1cc(C=NNc2ccc(Cl)c(C(=O)O)c2)c(C)n1-c1ccc(I)cc1	ZINC000254692771	JK	Agent	Anodyne	 
CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1	ZINC000254696391	JK	Agent	Anodyne	 
Fc1ccc(C=Nn2c(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n[nH]c2=S)cc1	ZINC000254696523	JK	Agent	Anodyne	 
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000254697200	JK	Agent	Clean	 
CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@@H](C)CC)cc1	ZINC000254697956	JK	Agent	Anodyne	 
CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@H](C)CC)cc1	ZINC000254697957	JK	Agent	Anodyne	 
Cc1cc(C(F)(F)F)nn1CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000254698579	JK	Agent	Anodyne	 
C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)c3ccncc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	ZINC000254699400	JK	Agent	Anodyne	 
CC(=NOCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1cc2ccccc2o1	ZINC000254699451	JK	Agent	Anodyne	 
O=C(Nc1cc(C(=O)N2CCCSC2=Nc2ccccc2)ccc1Cl)c1cccs1	ZINC000254699611	JK	Agent	Anodyne	 
O=C(NN=Cc1c(-c2ccccc2)nc2sc3c(n12)CCCC3)c1ccc(Br)cc1	ZINC000254699777	JK	Agent	Anodyne	 
N#CC1=CN(Cc2ccccc2)C=C(C=Nn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)C1	ZINC000254699814	JK	Agent	Anodyne	 
CCOc1ccc(C=Nc2ccc(Cc3ccc(N=Cc4ccc(OCC)cc4)cc3)cc2)cc1	ZINC000254700512	JK	Agent	Mild	 
CN(C)S(=O)(=O)c1ccc(Cl)c(N=Cc2cn(-c3ccccc3)nc2-c2cccs2)c1	ZINC000254700804	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(-c3cc4ccccc4o3)csc2=Nc2cc(C)ccc2C)cc1	ZINC000254700897	JK	Agent	Mild	 
O=C(CSc1nc2ccc(N=Cc3ccc(Br)cc3)cc2s1)NC1CCCCC1	ZINC000254701305	JK	Agent	Anodyne	 
CC(=NNC(=S)Nc1ccc(F)cc1F)c1cccc(NC(=O)c2ccc(Br)o2)c1	ZINC000254701439	JK	Agent	Anodyne	 
Cc1cccc(C)c1N=C1SCC(C)(C)N1C(=O)c1ccccc1OCc1c(C)noc1C	ZINC000254701523	JK	Agent	Mild	 
Cc1sc2ncnc(Sc3ccccc3C(=O)N=c3sc4ccccc4n3C)c2c1C	ZINC000254701561	JK	Agent	Anodyne	 
Clc1cc(Cl)c(NN=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c(Cl)c1	ZINC000254701886	JK	Agent	Anodyne	 
CC(=NNC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)c2ccnn2C)c1	ZINC000254702057	JK	Agent	Anodyne	 
CCOc1ccc(S(=O)(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	ZINC000254702804	JK	Agent	Anodyne	 
Cc1c(N=c2scc(-c3cccs3)n2N=C2CCc3ccccc32)c(=O)n(-c2ccccc2)n1C	ZINC000254702916	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCSC3=Nc3ccccc3C(C)C)cc12	ZINC000254702940	JK	Agent	Mild	 
CC(C)(C)[C@H]1CCc2c(sc(N=Cc3cc(Br)c(Br)s3)c2C#N)C1	ZINC000254702948	JK	Agent	Anodyne	 
CC(C)(C)[C@@H]1CCc2c(sc(N=Cc3cc(Br)c(Br)s3)c2C#N)C1	ZINC000254702949	JK	Agent	Anodyne	 
Clc1ccc(-c2nc3ccc(N=Cc4cccc(Oc5ccccc5)c4)cc3[nH]2)c(Cl)c1	ZINC000254703206	JK	Agent	Anodyne	 
COc1ccccc1C(=O)Nc1c(C(=O)NN=Cc2ccc(C)cc2)sc2nc(C)cc(C)c12	ZINC000254703560	JK	Agent	Reactive	 
CC[C@H]1CSC(=Nc2cccc(C)c2)N1C(=O)c1ccccc1SCc1c(C)noc1C	ZINC000254703844	JK	Agent	Mild	 
CSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000254704088	JK	Agent	Anodyne	 
Clc1ccc(Oc2sc(=Nc3ccccn3)n(-c3ccccc3)c2-c2ccccc2)cc1	ZINC000254704182	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1c(Cl)cccc1Cl	ZINC000254704183	JK	Agent	Anodyne	 
Cc1cc(C)n(-c2nc(NN=Cc3c(O)ccc4ccccc34)nc(Nc3ccc(Cl)cc3)n2)n1	ZINC000254704771	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1c(Cl)cccc1Cl	ZINC000254705059	JK	Agent	Anodyne	 
CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000254705548	JK	Agent	Anodyne	 
CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	ZINC000254705549	JK	Agent	Anodyne	 
CC(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	ZINC000254706097	JK	Agent	Reactive	 
COC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C	ZINC000254706367	JK	Agent	Anodyne	 
COC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C	ZINC000254706368	JK	Agent	Anodyne	 
COC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C	ZINC000254706369	JK	Agent	Anodyne	 
COC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc23)SC1=Nc1ccccc1C	ZINC000254706370	JK	Agent	Anodyne	 
Oc1ccc(N=Nc2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)c(F)c1	ZINC000254708331	JK	Agent	Mild	 
Cc1nc2ccc(I)cn2c1C=NNc1c(Cl)cc(Cl)cc1Cl	ZINC000254711425	JK	Agent	Anodyne	 
Cc1ccccc1-c1nnc(S)n1N=Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2	ZINC000254711490	JK	Agent	Mild	 
CCc1ccc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2c(OC)ccc3ccccc23)cc1	ZINC000254712119	JK	Agent	Mild	 
CCc1ccc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2c(OC)ccc3ccccc23)cc1	ZINC000254712122	JK	Agent	Mild	 
Oc1c(Br)cc(Br)cc1C=Nn1c(-c2ccccc2Cl)n[nH]c1=S	ZINC000254712794	JK	Agent	Anodyne	 
C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000254714315	JK	Agent	Anodyne	 
CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc(C)s1	ZINC000254714389	JK	Agent	Anodyne	 
Clc1ccc(-c2nnc3ccc(NN=Cc4c[nH]c5ccc(Br)cc45)nn23)cc1	ZINC000254714451	JK	Agent	Anodyne	 
O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C(=Nc2ccccc2)S1	ZINC000254714914	JK	Agent	Anodyne	 
O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C(=Nc2ccccc2)S1	ZINC000254714918	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(C=NOCc2ccc(CON=Cc3ccc(C(C)(C)C)cc3)cc2)cc1	ZINC000254732842	JK	Agent	Mild	 
COc1ccc(O)c(C=Nn2c(-c3cccc(C(F)(F)F)c3)csc2=NCCc2ccccc2)c1	ZINC000254733729	JK	Agent	Mild	 
Fc1ccc(N=c2scc(-c3ccc(Cl)cc3)n2N=C2CCCc3ccccc32)c(F)c1	ZINC000254734222	JK	Agent	Anodyne	 
O=C(NN=Cc1cc2c(cc1Cl)OCO2)c1cc(C2CC2)nc2ccc(Br)cc12	ZINC000254734746	JK	Agent	Anodyne	 
COc1ccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2N=C(C)c2ccc(O)cc2)cc1	ZINC000254734770	JK	Agent	Mild	 
O=C(Cc1cccc2ccccc12)NN=Cc1cccc(OC(=O)c2ccccc2Br)c1	ZINC000254734984	JK	Agent	Anodyne	 
CC(C)CCN1C(=O)C(=NNC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21	ZINC000254735021	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c2sc(C(=O)N=C3N=C4C=CC(Cl)=CN4Cc4ccccc43)cc12	ZINC000254735162	JK	Agent	Mild	 
CCOc1ccc(N=C2S[C@H](CC(=O)c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000254736118	JK	Agent	Anodyne	 
CCOc1ccc(N=C2S[C@@H](CC(=O)c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000254736119	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000254736306	JK	Agent	Reactive	 
Cc1cccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2CCc2ccc(Cl)cc2)c1	ZINC000254737414	JK	Agent	Anodyne	 
CCOc1ccc(Br)cc1C=NNC(=O)[C@@H](C)Sc1nc2ccccc2s1	ZINC000254737438	JK	Agent	Anodyne	 
CCOc1ccc(Br)cc1C=NNC(=O)[C@H](C)Sc1nc2ccccc2s1	ZINC000254737440	JK	Agent	Anodyne	 
Brc1ccc(C=Nc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1	ZINC000254738573	JK	Agent	Anodyne	 
Clc1ccc(-c2nn(-c3ccccc3)cc2C=NN(Cc2ccccc2)c2ccccc2)c(Cl)c1	ZINC000254738821	JK	Agent	Anodyne	 
CC(CCc1ccc2c(c1)OCO2)=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	ZINC000254739131	JK	Agent	Reactive	 
O=S(=O)(c1ccc(N=Cc2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1)N1CCCCC1	ZINC000254739248	JK	Agent	Mild	 
CCOCCCN1C(=O)[C@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1	ZINC000254739543	JK	Agent	Anodyne	 
CCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc3ccccc3c2)SC1=Nc1ccc(OC)cc1	ZINC000254739544	JK	Agent	Anodyne	 
O=C(COc1ccc(Cl)cc1Cl)NN=Cc1cn(-c2ccccc2)nc1-c1cccs1	ZINC000254739572	JK	Agent	Anodyne	 
CC(C)CCOc1ccc(Cl)cc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1	ZINC000254739814	JK	Agent	Anodyne	 
COc1ccc(N(C(=O)c2ccccc2)C(=Nc2ccc(Br)cc2)c2ccccc2)cc1	ZINC000254740137	JK	Agent	Anodyne	 
O=C(N=C1c2ccccc2CN1c1ccc(SC(F)F)cc1)c1ccc(Cl)c(Cl)c1	ZINC000254740291	JK	Agent	Anodyne	 
O=C1Nc2ccccc2/C1=N\n1c(-c2ccc(C3CCCCC3)cc2)csc1=NCc1ccccc1	ZINC000254740987	JK	Agent	Mild	 
Clc1cc(Cl)c2oc(=Nc3ccc(-c4ccccc4)cc3)c(-c3nc4ccccc4[nH]3)cc2c1	ZINC000254741562	JK	Agent	Anodyne	 
CCOc1ccc(Oc2c(C=NNC(=S)Nc3cccc(C)c3C)c(C)nn2-c2ccccc2)cc1	ZINC000254742378	JK	Agent	Mild	 
O=C1C(=NNc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2N1Cc1ccccc1Cl	ZINC000254742557	JK	Agent	Anodyne	 
COCCN=c1scc(-c2ccccc2F)n1N=C(C)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254742726	JK	Agent	Mild	 
CCCCN=c1scc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(N2CCOCC2)cc1	ZINC000254742817	JK	Agent	Mild	 
CCCNC(=O)c1c(N=Cc2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)cnn1C	ZINC000254743152	JK	Agent	Anodyne	 
N#Cc1ccc(C=NNC(=O)c2cc(-c3cccs3)nn2-c2cccc(C(F)(F)F)c2)cc1	ZINC000254743421	JK	Agent	Reactive	 
COc1cccc(N=C2SCC(C)(C)N2C(=O)c2ccccc2OCc2ccccc2C)c1	ZINC000254743735	JK	Agent	Mild	 
COCCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(OC(F)F)cc1	ZINC000254744202	JK	Agent	Anodyne	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000254744704	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)c1ccsc1N=Cc1cn(Cc2ccccc2F)c2ccccc12	ZINC000254744892	JK	Agent	Anodyne	 
COc1cc(C=NNc2ncc(Cl)cc2Cl)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	ZINC000254744976	JK	Agent	Anodyne	 
COc1cc(C=NNc2ncc(Cl)cc2Cl)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000254744977	JK	Agent	Anodyne	 
COc1cc(C=NNc2ncc(Cl)cc2Cl)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C	ZINC000254744978	JK	Agent	Anodyne	 
CCCCCCCCCCCCCCCC(=O)NN=Cc1c[nH]nc1-c1ccc(OC)c(OC)c1	ZINC000254744986	JK	Agent	Reactive	 
Oc1ccccc1C=Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1	ZINC000254746260	JK	Agent	Anodyne	 
Cc1cc2nc3sc(=Cc4cn(Cc5ccccc5F)c5ccccc45)c(=O)n3c2cc1C	ZINC000254746281	JK	Agent	Anodyne	 
O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1sc2cccc(Br)c2c1Cl	ZINC000254746332	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccccc1OC	ZINC000254746336	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1c1ccccc1OC	ZINC000254746338	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3ccccc3Cl)=C2N2CCOCC2)cc1	ZINC000254746567	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3ccccc3Cl)=C2N2CCOCC2)cc1	ZINC000254746568	JK	Agent	Anodyne	 
C[C@@H]1CCc2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2C1	ZINC000254746998	JK	Agent	Reactive	 
C[C@H]1CCc2sc(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2C1	ZINC000254747001	JK	Agent	Reactive	 
COc1ccc2oc(=O)c(-c3cnc(NN=Cc4ccc(Br)cc4)s3)cc2c1	ZINC000254748646	JK	Agent	Anodyne	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=Cc2ccccc2C(F)(F)F)c(C(C)(C)CC)c1	ZINC000254749313	JK	Agent	Reactive	 
Clc1ccc(C=NOCc2cccc(CON=Cc3ccc(Cl)c(Cl)c3)c2)cc1Cl	ZINC000254749754	JK	Agent	Anodyne	 
CCCCSc1nnc(C(F)F)n1N=Cc1ccc(COc2c(F)c(F)cc(F)c2F)o1	ZINC000254751797	JK	Agent	Mild	 
CCn1c(C)nc2cc(C(=O)NN=Cc3sc(N4CCCCC4)nc3-c3cccs3)ccc21	ZINC000254752221	JK	Agent	Reactive	 
O=C(COC(=O)C1(c2ccccc2)CC1)N(N=Cc1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000254752314	JK	Agent	Reactive	 
CCOc1ccc2nc(Sc3ccc(C=Nc4c(C)n(C)n(-c5ccccc5)c4=O)o3)sc2c1	ZINC000254752735	JK	Agent	Mild	 
COCCCn1c(-c2cc(OC)ccc2OC)csc1=Nc1ccc(OC(F)F)cc1	ZINC000254753032	JK	Agent	Anodyne	 
CC(C)COc1ccc(Br)cc1C=Nc1sccc1C(=O)Nc1ccc(Cl)cc1	ZINC000254753473	JK	Agent	Anodyne	 
Cc1[nH]c2ccccc2c1C(=O)CSc1nn(Cc2ccccc2)c(=NCc2ccccc2)s1	ZINC000254754131	JK	Agent	Anodyne	 
Cc1cccn2c(=O)c(C=NNc3nc4ccccc4s3)c(SCc3ccccc3)nc12	ZINC000254754419	JK	Agent	Mild	 
C[C@@H](C=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1	ZINC000254754899	JK	Agent	Reactive	 
C[C@H](C=NNC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1	ZINC000254754900	JK	Agent	Reactive	 
O=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000254756893	JK	Agent	Reactive	 
CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	ZINC000254757438	JK	Agent	Mild	 
CCn1c2ccccc2c2cc(N=Cc3cc4c(C)nn(-c5ccccc5)c4nc3Cl)ccc21	ZINC000254757448	JK	Agent	Anodyne	 
Cc1cccc(C)c1N=c1scc(-c2ccc(Cl)s2)n1Cc1ccc2c(c1)OCO2	ZINC000254757457	JK	Agent	Anodyne	 
N#Cc1c(N=C2C(=O)N(CN3CCCCCC3)c3ccc(Br)cc32)sc2c1CCCC2	ZINC000254757538	JK	Agent	Anodyne	 
Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NNc1ncnc2sc(C)c(C)c12	ZINC000254757718	JK	Agent	Anodyne	 
COc1ccc(C=NNc2ncc(-c3cc4cc(Br)ccc4oc3=O)s2)cc1	ZINC000254757935	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccccc1Cc1ccccc1	ZINC000254758402	JK	Agent	Mild	 
CCOC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@@](C)(O)C[C@@H]1c1ccccc1	ZINC000254759956	JK	Agent	Anodyne	 
CCOC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@@H]1c1ccccc1	ZINC000254759960	JK	Agent	Anodyne	 
CCOC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@@](C)(O)C[C@H]1c1ccccc1	ZINC000254759963	JK	Agent	Anodyne	 
CCOC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@H]1c1ccccc1	ZINC000254759968	JK	Agent	Anodyne	 
CCOc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1	ZINC000254760022	JK	Agent	Anodyne	 
COc1cc(-c2csc(=Nc3ccc(Cl)cc3Cl)n2C[C@@H]2CCCO2)cc(OC)c1OC	ZINC000254760226	JK	Agent	Anodyne	 
COc1cc(-c2csc(=Nc3ccc(Cl)cc3Cl)n2C[C@H]2CCCO2)cc(OC)c1OC	ZINC000254760228	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1cc2ccccc2o1	ZINC000254760492	JK	Agent	Reactive	 
FC(F)Oc1ccc(-c2csc(=Nc3ccc(SC(F)F)cc3)n2C[C@@H]2CCCO2)cc1	ZINC000254761077	JK	Agent	Anodyne	 
FC(F)Oc1ccc(-c2csc(=Nc3ccc(SC(F)F)cc3)n2C[C@H]2CCCO2)cc1	ZINC000254761079	JK	Agent	Anodyne	 
COc1ccccc1-c1nn(-c2ccccc2)cc1C=NNc1c(Cl)cc(Cl)cc1Cl	ZINC000254761316	JK	Agent	Anodyne	 
Cc1cc(-c2ccc(N=Cc3ccc(N(C)C)cc3)c(C)c2)ccc1N=Cc1ccc(N(C)C)cc1	ZINC000254761336	JK	Agent	Mild	 
O=S(=O)(NN=Cc1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccc(Cl)cc1	ZINC000254761359	JK	Agent	Anodyne	 
Cc1ccccc1-c1nc2cc(N=Cc3cc(I)ccc3O)ccc2o1	ZINC000254761384	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cc2c(s1)CCCC2	ZINC000254761446	JK	Agent	Reactive	 
O=C(CSc1nc2ccc(N=Cc3c(Cl)cccc3Cl)cc2s1)N1CCOCC1	ZINC000254761456	JK	Agent	Anodyne	 
CC(=O)Oc1ccc(-c2cccc(C(=O)N3C(=Nc4ccccc4Cl)SCC3(C)C)c2)cc1	ZINC000254761511	JK	Agent	Anodyne	 
Cc1ccc(NS(=O)(=O)c2ccc(C)c(NN=C3SC(=N)N=C3c3ccc(F)cc3)c2)c(C)c1	ZINC000254761871	JK	Agent	Mild	 
COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1COc1ccccc1Cc1ccccc1	ZINC000254761910	JK	Agent	Mild	 
O=C(c1ccc(O)cc1)N(C=Nc1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000254761922	JK	Agent	Anodyne	 
CCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1	ZINC000254761974	JK	Agent	Anodyne	 
CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)SC1=Nc1ccc(SC(F)F)cc1	ZINC000254761975	JK	Agent	Anodyne	 
CCCN(CC1CC1)C(=O)CON=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000254762077	JK	Agent	Mild	 
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)sc2n1	ZINC000254762132	JK	Agent	Reactive	 
Fc1cccc(Cl)c1-c1nnc2ccc(NN=Cc3cccc(OCc4ccccc4)c3)nn12	ZINC000254762953	JK	Agent	Anodyne	 
COc1ccc(N=C2S[C@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)cc1	ZINC000254763543	JK	Agent	Anodyne	 
COc1ccc(N=C2S[C@@H](CC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C(=O)N2C2CC2)cc1	ZINC000254763549	JK	Agent	Anodyne	 
Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000254764209	JK	Agent	Anodyne	 
Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000254764217	JK	Agent	Anodyne	 
CC(C)CCOc1ccc(Br)cc1C=Nc1sccc1C(=O)NCc1ccco1	ZINC000254764234	JK	Agent	Anodyne	 
CCOc1ccc(COc2ccc(C=Nn3c(SC)nnc3C(F)F)cc2)cc1OCC	ZINC000254764509	JK	Agent	Mild	 
C[C@@H]1C/C(=C/c2ccc(Cl)cc2)C2=NN(C(=O)/C=C\c3ccco3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	ZINC000254764690	JK	Agent	Anodyne	 
C[C@@H]1C/C(=C\c2ccc(Cl)cc2)C2=NN(C(=O)/C=C\c3ccco3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	ZINC000254764693	JK	Agent	Anodyne	 
COc1ccc(Cn2c(-c3ccc4c(c3)OCCO4)csc2=Nc2ccc(F)cc2)cc1OC	ZINC000254764805	JK	Agent	Anodyne	 
COC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1	ZINC000254764811	JK	Agent	Anodyne	 
CC[C@@H]1CCc2c(sc(N=Cc3cc(Br)ccc3OC)c2C(=O)NC2CC2)C1	ZINC000254764840	JK	Agent	Anodyne	 
Cc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)NN=Cc3ccc(O)c(O)c3)c2c1	ZINC000254764842	JK	Agent	Reactive	 
CC[C@H]1CCc2c(sc(N=Cc3cc(Br)ccc3OC)c2C(=O)NC2CC2)C1	ZINC000254764843	JK	Agent	Anodyne	 
CCOC(=O)c1c(N=C/C(Br)=C/c2ccccc2)sc2c1CC(C)(C)NC2(C)C	ZINC000254764894	JK	Agent	Mild	 
CCOC(=O)c1c(N=C/C(Br)=C\c2ccccc2)sc2c1CC(C)(C)NC2(C)C	ZINC000254764898	JK	Agent	Mild	 
O=C(Nc1ccccc1C(F)(F)F)c1ccsc1N=Cc1ccc(Br)s1	ZINC000254765003	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3ccc(Cl)cc3)=C2N2CCOCC2)cc1	ZINC000254765104	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3ccc(Cl)cc3)=C2N2CCOCC2)cc1	ZINC000254765109	JK	Agent	Anodyne	 
Fc1ccc(C=Nc2ccc(OC(F)(F)C(F)F)c(N=Cc3ccc(F)c(F)c3)c2)cc1F	ZINC000254765255	JK	Agent	Mild	 
O=S(=O)(c1ccc(Cl)c(N=Cc2ccccc2Br)c1)N1CCCCCC1	ZINC000254765288	JK	Agent	Anodyne	 
C=C(C)CN=c1scc(-c2ccc(C)c(C)c2)n1N=C(C)c1ccc(C2CCCCC2)cc1	ZINC000254766343	JK	Agent	Mild	 
CN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1cc(Br)c(O)c(OC)c1	ZINC000254770431	JK	Agent	Anodyne	 
Oc1ccc(N=Cc2ccccc2Br)cc1N=Cc1ccccc1Br	ZINC000254770519	JK	Agent	Anodyne	 
CC(=O)C(=NNc1ccc(Cl)cc1)N(C(=NNc1ccc(Cl)cc1)C(C)=O)C(C)(C)C	ZINC000254770959	JK	Agent	Anodyne	 
Cc1cc(-c2ccc(N=Cc3ccccc3Cl)c(C)c2)ccc1N=Cc1ccccc1Cl	ZINC000254770961	JK	Agent	Anodyne	 
Cc1cccc(Cn2cc(C=Nc3sccc3C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1	ZINC000254771244	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000254771450	JK	Agent	Mild	 
CC(=NOCc1ccc(CON=C(C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1	ZINC000254771534	JK	Agent	Mild	 
O=C(Oc1ccc(C=NNC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1	ZINC000254790098	JK	Agent	Anodyne	 
O=C(Oc1ccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1	ZINC000254790099	JK	Agent	Anodyne	 
Cc1nc(NN=Cc2c(C)nn(-c3cccc(Cl)c3)c2Cl)c2c3c(sc2n1)CCCC3	ZINC000254790662	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2c(Cl)cccc2Cl)cc1OC	ZINC000254790928	JK	Agent	Anodyne	 
Cc1cc(C=Nn2c(S)nnc2-c2ccc(OC(F)F)cc2)c(C)n1-c1ccc(Cl)cc1	ZINC000254791260	JK	Agent	Anodyne	 
O=c1c(=Cc2ccc(OCc3ccccc3)cc2)sc2nc(-c3ccc(Cl)cc3Cl)nn12	ZINC000254791719	JK	Agent	Anodyne	 
Cc1cc(C=NNc2nc(C(Cl)(Cl)Cl)nc3ccccc23)c(C)n1-c1ccccc1	ZINC000254792116	JK	Agent	Mild	 
Cc1ccc(-c2nc3cc(N=Cc4c(C)c(C#N)c5nc6ccccc6n5c4O)ccc3o2)cc1	ZINC000254792229	JK	Agent	Mild	 
COc1ccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)cc1	ZINC000254792378	JK	Agent	Anodyne	 
Cn1ncc(N=Cc2ccc(COc3ccc(Cl)cc3Cl)o2)c1C(=O)NCc1ccco1	ZINC000254792466	JK	Agent	Anodyne	 
O=C(O)c1cc(NN=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)ccc1Cl	ZINC000254792593	JK	Agent	Anodyne	 
Clc1ccc(-c2nnc3ccc(NN=Cc4cccc(OCc5ccccc5)c4)nn23)cc1	ZINC000254793031	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCCCC1=Nc1ccc(Br)cc1	ZINC000254793059	JK	Agent	Anodyne	 
CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000254793176	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1COc1ccc(-c2ccccc2)cc1	ZINC000254794479	JK	Agent	Mild	 
O=S1(=O)c2cc(N=Cc3ccc(Cl)cc3)ccc2-c2ccc(N=Cc3ccc(Cl)cc3)cc21	ZINC000254795123	JK	Agent	Anodyne	 
Cc1ccc(-c2nnc(NN=Cc3c(C)nn(-c4ccccc4)c3Cl)c3ccccc23)cc1C	ZINC000254795457	JK	Agent	Anodyne	 
CC1(C)Nc2ccccc2-c2c1ssc2=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	ZINC000254796124	JK	Agent	Anodyne	 
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)ON=C(C)c3ccccc3)n2)cc1	ZINC000254796916	JK	Agent	Mild	 
Cc1cc(C=NNc2ncc(Cl)cc2Cl)c(C)n1-c1ccc(I)cc1	ZINC000254797523	JK	Agent	Anodyne	 
Cc1cc(C)n(-c2nc(NN=Cc3c4ccccc4cc4ccccc34)nc(Nc3ccccc3)n2)n1	ZINC000254797607	JK	Agent	Mild	 
CCOC(=O)c1ccc(-n2c(C)cc(C=Nn3c(S)nnc3-c3ccccc3Cl)c2C)cc1	ZINC000254798202	JK	Agent	Anodyne	 
CCCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000254798420	JK	Agent	Anodyne	 
CC(=NOCc1nc2ccccc2c(=O)n1N=Cc1c(O)ccc2ccccc12)c1ccccc1	ZINC000254798681	JK	Agent	Mild	 
Cc1nc(C)c(C(=O)OCC(=O)N(N=Cc2ccccc2)c2cccc(C(F)(F)F)c2)s1	ZINC000254798805	JK	Agent	Reactive	 
CCCN1C(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)SC1=Nc1ccc(C(C)=O)cc1	ZINC000254798880	JK	Agent	Anodyne	 
CCCN1C(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)SC1=Nc1ccc(C(C)=O)cc1	ZINC000254798882	JK	Agent	Anodyne	 
Cc1cccc(C)c1N=C1SCCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	ZINC000254799098	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1	ZINC000254799251	JK	Agent	Reactive	 
Cc1ccc(C=NNC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)o1	ZINC000254799733	JK	Agent	Reactive	 
CCCC(CC)=NNC(=O)CNc1c(Br)cc(Br)cc1Br	ZINC000254799831	JK	Agent	Anodyne	 
CCN1C(=O)C[C@@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)SC1=Nc1ccc(Cl)cc1	ZINC000254800557	JK	Agent	Anodyne	 
CCN1C(=O)C[C@H](C(=O)Nc2ccc(OC(F)(F)Cl)cc2)SC1=Nc1ccc(Cl)cc1	ZINC000254800559	JK	Agent	Anodyne	 
CC(=Nn1c(-c2ccc(Cl)c(Cl)c2)csc1=Nc1ccccc1F)c1cccs1	ZINC000254800820	JK	Agent	Anodyne	 
CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2cc(C)c(Cl)c(C)c2)o1	ZINC000254800858	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	ZINC000254804370	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	ZINC000254804373	JK	Agent	Reactive	 
CCOC(=O)c1sc2nc(C)n(N=Cc3ccc4c(c3)c3ccccc3n4CC)c(=O)c2c1C	ZINC000254806196	JK	Agent	Mild	 
CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2csc3c2CCCC3)c1	ZINC000254806244	JK	Agent	Anodyne	 
COCCN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccc(SC)cc1	ZINC000254806313	JK	Agent	Anodyne	 
CCc1ccc(-c2n[nH]cc2C=NNC(=O)c2sc3cccc(Br)c3c2Cl)cc1	ZINC000254806418	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(Cl)cc1C	ZINC000254806545	JK	Agent	Anodyne	 
O=S(=O)(c1ccc(-c2csc(=Nc3ccccc3)n2CCc2ccccc2)cc1)N1CCCC1	ZINC000254807752	JK	Agent	Anodyne	 
Cc1cc2nc3sc(=Cc4ccc(-c5ccc(OC(F)(F)F)cc5)o4)c(=O)n3c2cc1C	ZINC000254808795	JK	Agent	Anodyne	 
COc1ccccc1N=c1scc(-c2cccc(Br)c2)n1N=C(C)c1ccncc1	ZINC000254812943	JK	Agent	Anodyne	 
CC[C@H]1CCc2c(sc(N=Cc3ccc(OCc4ccc(C)cc4)cc3)c2C(=O)NC2CC2)C1	ZINC000254813091	JK	Agent	Mild	 
CC[C@@H]1CCc2c(sc(N=Cc3ccc(OCc4ccc(C)cc4)cc3)c2C(=O)NC2CC2)C1	ZINC000254813092	JK	Agent	Mild	 
CC(=O)c1c(C(C)=O)c(C)n(-c2ccccc2N=Cc2cc(Br)ccc2O)c1C	ZINC000254813401	JK	Agent	Anodyne	 
CCOc1cc(C=Nn2cnc3ccccc3c2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000254813666	JK	Agent	Anodyne	 
Cc1ccc(Nc2nc3nonc3nc2NN=Cc2ccc(-c3ccc(Br)cc3)o2)cc1	ZINC000254814251	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=NNc1cc(-c2ccccc2)c2ccccc2n1	ZINC000254814270	JK	Agent	Mild	 
O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc2ccccc12	ZINC000254814306	JK	Agent	Anodyne	 
O=S(=O)(c1ccc(N=Cc2ccccc2F)cc1)c1ccc(N=Cc2ccccc2F)cc1	ZINC000254814682	JK	Agent	Mild	 
CCn1c2ccccc2c2cc(C=NNc3nc(C(Cl)(Cl)Cl)nc4ccccc34)ccc21	ZINC000254815009	JK	Agent	Mild	 
Cc1ccc(NS(=O)(=O)c2ccc(C)c(NN=C3SC(=N)N=C3c3ccccc3)c2)c(C)c1	ZINC000254815100	JK	Agent	Mild	 
CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)SC1=Nc1ccc(OC(F)(F)Cl)cc1	ZINC000254815538	JK	Agent	Anodyne	 
CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)SC1=Nc1ccc(OC(F)(F)Cl)cc1	ZINC000254815539	JK	Agent	Anodyne	 
O=C(CSc1nc(-c2ccccc2)cn1N=Cc1ccc(Br)cc1)c1ccccc1	ZINC000254815747	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(-c3cc4ccccc4o3)csc2=NCc2ccccc2)c(OC)c1	ZINC000254815927	JK	Agent	Mild	 
CCN(Cc1ccccc1)c1ccc(C=Nn2cnc3scc(-c4ccccc4)c3c2=O)cc1	ZINC000254816327	JK	Agent	Mild	 
S=C(NN=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1)Nc1cccc2ccccc12	ZINC000254816412	JK	Agent	Mild	 
S=C(NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)Nc1cccc2ccccc12	ZINC000254816413	JK	Agent	Mild	 
CCCC(=NNC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(Cl)s1	ZINC000254816526	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(S)nnc2C(F)(F)F)cc1COc1ccc(C(C)(C)C)cc1	ZINC000254816909	JK	Agent	Mild	 
O=C(CNc1c(Br)cc(Cl)cc1Br)NN=Cc1ccccc1Cl	ZINC000254816978	JK	Agent	Anodyne	 
CCCCCCCCCCCCCC(=O)NN=Cc1c[nH]nc1-c1ccc(OC)c(OC)c1	ZINC000254817391	JK	Agent	Reactive	 
N#Cc1ccc(C=Nn2c(-c3ccc(Br)s3)csc2=NC2CCCCC2)cc1	ZINC000254817496	JK	Agent	Anodyne	 
Cc1ccc2nc(C(Cl)(Cl)Cl)nc(NN=Cc3c(Cl)nc4sccn34)c2c1	ZINC000254817588	JK	Agent	Anodyne	 
COC(=O)c1c(N=Cc2cc(N=Nc3ccc(C)c(C)c3)ccc2O)sc2c1CC[C@H](C)C2	ZINC000254818084	JK	Agent	Mild	 
COC(=O)c1c(N=Cc2cc(N=Nc3ccc(C)c(C)c3)ccc2O)sc2c1CC[C@@H](C)C2	ZINC000254818086	JK	Agent	Mild	 
Sc1nnc(-c2ccco2)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000254818153	JK	Agent	Anodyne	 
CCN(CC)c1ccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)cc1	ZINC000254818170	JK	Agent	Anodyne	 
COc1ccc(Br)cc1C=Nn1c(-c2cccs2)csc1=NCc1ccccc1	ZINC000254818496	JK	Agent	Anodyne	 
Cc1ccc(N=C2S[C@@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1	ZINC000254818713	JK	Agent	Anodyne	 
Cc1ccc(N=C2S[C@H](CC(=O)Nc3ccccc3Br)C(=O)N2C2CC2)c(C)c1	ZINC000254818715	JK	Agent	Anodyne	 
O=C(NN=Cc1c[nH]nc1-c1ccc(Cl)cc1)c1sc2cccc(Br)c2c1Cl	ZINC000254819001	JK	Agent	Anodyne	 
COc1cccc(N=c2scc(-c3cccc(Br)c3)n2N=Cc2ccncc2)c1	ZINC000254819494	JK	Agent	Anodyne	 
Cc1ccc(-c2csc(=NCCc3ccccc3)n2N=Cc2ccc(-c3ccc(F)cc3)o2)cc1	ZINC000254820218	JK	Agent	Mild	 
Sc1nncn1N=Cc1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1	ZINC000254820772	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(CSc2nc3ccc(N=Cc4c(O)ccc5ccccc45)cc3s2)cc1	ZINC000254821176	JK	Agent	Mild	 
Cc1cc(C(=O)NN=Cc2sc(N3CCCCC3)nc2-c2cccs2)c(C)n1-c1ccccc1	ZINC000254821518	JK	Agent	Reactive	 
N#Cc1c(N=Cc2cccc(I)c2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000254821623	JK	Agent	Anodyne	 
CC(=Nn1c(-c2ccc(-c3ccccc3)cc2)csc1=NCc1ccccc1)c1ccncc1	ZINC000254822315	JK	Agent	Mild	 
CN=c1scc(-c2ccc(Cl)cc2)n1N=Cc1c(C)nn(-c2ccc(F)cc2)c1Cl	ZINC000254822439	JK	Agent	Anodyne	 
COc1cccc(C=Nn2c(-c3ccc(Cl)cc3Cl)csc2=Nc2ccccc2)c1O	ZINC000254822542	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(OC(F)F)cc1	ZINC000254822730	JK	Agent	Reactive	 
CCOc1cc(-c2nc3ccccn3c2N=Cc2cn(Cc3ccccc3)c3ccccc23)ccc1O	ZINC000254822779	JK	Agent	Mild	 
FC(F)(F)c1ccc(Cl)c(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c1	ZINC000254823329	JK	Agent	Anodyne	 
CC(C)COC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@H]1c1ccccc1	ZINC000254823471	JK	Agent	Anodyne	 
CC(C)COC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@](C)(O)C[C@@H]1c1ccccc1	ZINC000254823472	JK	Agent	Anodyne	 
CC(C)COC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@@](C)(O)C[C@@H]1c1ccccc1	ZINC000254823473	JK	Agent	Anodyne	 
CC(C)COC(=O)[C@@H]1C(=NN=C(c2ccccc2)c2ccccc2)C[C@@](C)(O)C[C@H]1c1ccccc1	ZINC000254823474	JK	Agent	Anodyne	 
CC(=NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1OC(F)F	ZINC000254823492	JK	Agent	Reactive	 
Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4ccc(C)cc4C)N32)cc1	ZINC000254823570	JK	Agent	Mild	 
Cc1ccc([C@]2(C(F)(F)F)NC(=O)N=C3c4ccccc4C(=Nc4ccc(C)cc4C)N32)cc1	ZINC000254823572	JK	Agent	Mild	 
CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4c(s3)CC[C@H](C)C4)c2C)cc1	ZINC000254823844	JK	Agent	Reactive	 
CCOC(=O)c1ccc(-n2c(C)cc(C=NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2C)cc1	ZINC000254823846	JK	Agent	Reactive	 
O=C1/C(=C/c2ccc(N3CCOCC3)o2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12	ZINC000254823958	JK	Agent	Mild	 
O=C1/C(=C\c2ccc(N3CCOCC3)o2)SC(=Nc2ccccc2)N1CCc1c[nH]c2ccccc12	ZINC000254823959	JK	Agent	Mild	 
O=C(Cc1cccc2ccccc12)NN=Cc1cn(-c2cccc3ccccc23)nc1-c1ccccc1	ZINC000254824158	JK	Agent	Reactive	 
CNc1nc(NN=Cc2ccc(Cl)cc2Cl)nc(Nc2cccc(C(F)(F)F)c2)n1	ZINC000254824305	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nn2c(-c3ccc(Br)s3)csc2=Nc2ccccc2F)cc1	ZINC000254824737	JK	Agent	Anodyne	 
CCOc1ccccc1C=Nn1c(-c2ccc(CC)cc2)csc1=Nc1cccc(OC)c1	ZINC000254825304	JK	Agent	Mild	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccccc2O)c(C(C)(C)CC)c1	ZINC000254825452	JK	Agent	Reactive	 
CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)NN=Cc1ccc(Br)cc1	ZINC000254825525	JK	Agent	Anodyne	 
CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)NN=Cc1ccc(Br)cc1	ZINC000254825526	JK	Agent	Anodyne	 
CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)NN=Cc1ccc(Br)cc1	ZINC000254825527	JK	Agent	Anodyne	 
CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)NN=Cc1ccc(Br)cc1	ZINC000254825528	JK	Agent	Anodyne	 
COCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)c(Cl)c1	ZINC000254825545	JK	Agent	Anodyne	 
COCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(C)c(Cl)c1	ZINC000254825546	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nn2c(-c3cc4ccccc4o3)csc2=Nc2ccccc2C(F)(F)F)cc1	ZINC000254825681	JK	Agent	Mild	 
COc1ccc(OC)c(-c2csc(=Nc3c(C)cccc3C)n2N=Cc2ccccc2F)c1	ZINC000254825718	JK	Agent	Mild	 
CSc1nnc(C(F)F)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000254825980	JK	Agent	Anodyne	 
N#Cc1ccc(N2Cc3ccccc3C2=NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1	ZINC000254826170	JK	Agent	Anodyne	 
Cc1cc(C=NNC(=O)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)c(C)n1-c1cc(Cl)ccc1Cl	ZINC000254826689	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3c[nH]c4ccccc34)=C2N2CCOCC2)cc1	ZINC000254827076	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3c[nH]c4ccccc34)=C2N2CCOCC2)cc1	ZINC000254827077	JK	Agent	Mild	 
CC[C@H]1CCc2sc(C(=O)NN=C(C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1	ZINC000254827279	JK	Agent	Reactive	 
CC[C@@H]1CCc2sc(C(=O)NN=C(C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1	ZINC000254827280	JK	Agent	Reactive	 
Cc1ccc(-c2nnc(NN=Cc3c(-c4ccccc4)nc4ccccn34)c3ccccc23)cc1C	ZINC000254827332	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2\CCC(C=NN=Cc3c(C)[nH]c4ccccc34)=C2N2CCOCC2)cc1	ZINC000254827451	JK	Agent	Mild	 
CCN(CC)c1ccc(/C=C2/CCC(C=NN=Cc3c(C)[nH]c4ccccc34)=C2N2CCOCC2)cc1	ZINC000254827452	JK	Agent	Mild	 
O=C(NN=Cc1ccc(N2CCOCC2)s1)c1ccc(CSc2nc3ccccc3s2)cc1	ZINC000254827464	JK	Agent	Reactive	 
O=C(NN=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1Br	ZINC000254827975	JK	Agent	Anodyne	 
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000254828253	JK	Agent	Anodyne	 
Cc1ccc(N=C2S[C@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000254828382	JK	Agent	Mild	 
Cc1ccc(N=C2S[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000254828383	JK	Agent	Mild	 
O=C(CSc1nc2ccc(N=Cc3c4ccccc4cc4ccccc34)cc2s1)N1CCOCC1	ZINC000254828844	JK	Agent	Mild	 
CN(C)c1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Br)c4O)ccc3o2)cc1	ZINC000254832751	JK	Agent	Anodyne	 
COCCN=c1scc(-c2ccc(Br)cc2)n1N=Cc1ccc(SC)cc1	ZINC000254832896	JK	Agent	Anodyne	 
COc1ccc(C)cc1N=C1SCC(C)(C)N1C(=O)COc1ccc(Br)cc1	ZINC000254834309	JK	Agent	Anodyne	 
CCOc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3cccs3)C(=Nc3ccc(OC)cc3)S2)c1	ZINC000254834981	JK	Agent	Anodyne	 
CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccs3)C(=Nc3ccc(OC)cc3)S2)c1	ZINC000254834983	JK	Agent	Anodyne	 
Cc1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)csc2=Nc2ccc(F)cc2F)o1	ZINC000254835045	JK	Agent	Mild	 
O=C(COc1ccc(I)cc1)NN=Cc1c2ccccc2cc2ccccc12	ZINC000254835698	JK	Agent	Anodyne	 
CC(=Nn1c(-c2ccc(OC(F)F)cc2)csc1=NC(C)C)c1ccc(-n2ccnc2)cc1	ZINC000254835846	JK	Agent	Mild	 
COc1ccc(C=Nn2c(-c3ccc(OC(F)F)cc3)csc2=Nc2ccc(F)cc2F)cc1	ZINC000254836048	JK	Agent	Mild	 
CC(=NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1	ZINC000254836210	JK	Agent	Anodyne	 
CC(=NNC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1	ZINC000254836212	JK	Agent	Anodyne	 
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=Nc2ccccc2)N1C1CCCCC1	ZINC000254836746	JK	Agent	Anodyne	 
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=Nc2ccccc2)N1C1CCCCC1	ZINC000254836747	JK	Agent	Anodyne	 
O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1C=NNc1ccc(OC(F)F)cc1	ZINC000254837067	JK	Agent	Mild	 
CC(=NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1ccc(OC(F)F)cc1	ZINC000254837268	JK	Agent	Anodyne	 
Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NN=c2sc3ccccc3n2C)cc1	ZINC000254837895	JK	Agent	Reactive	 
Clc1ccc(-c2nc(NN=Cc3ccc4ncccc4c3)nc3ccc(Br)cc23)cc1	ZINC000254837900	JK	Agent	Anodyne	 
CCCN(C=Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1)CCC	ZINC000254837918	JK	Agent	Mild	 
Fc1ccc(Nc2nc3nonc3nc2NN=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	ZINC000254838506	JK	Agent	Anodyne	 
O=c1c2c(-c3cccs3)csc2ncn1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000254838729	JK	Agent	Mild	 
COc1ccc(CCn2c(C)c(-c3ccccc3)sc2=NC(=O)c2ccccc2)cc1OC	ZINC000254838750	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(F)cc2)S1	ZINC000254838755	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(F)cc2)S1	ZINC000254838757	JK	Agent	Anodyne	 
O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1ccccc1Br	ZINC000254838917	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000254838953	JK	Agent	Anodyne	 
C(=NN(c1ccccc1)c1ccccc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000254839089	JK	Agent	Mild	 
Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccccc1F	ZINC000254839206	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(S)nnc2C(F)(F)Cl)cc1COc1ccc(C(C)C)cc1	ZINC000254839345	JK	Agent	Mild	 
CC(=NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1c(C)nc(-c2ccco2)nc1O	ZINC000254839877	JK	Agent	Anodyne	 
Cc1ccc2nc(Cl)c(C=NNc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2c1	ZINC000254840076	JK	Agent	Anodyne	 
Cc1c(Cl)cccc1N=C1SCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21	ZINC000254840121	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(C=NNc3ccc4ccccc4n3)=C2N2CCOCC2)cc1	ZINC000254840234	JK	Agent	Mild	 
CCCCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1N=Cc1ccc(Cl)c(Cl)c1	ZINC000254840566	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(Br)cc1	ZINC000254841076	JK	Agent	Anodyne	 
Cc1c(C(=O)N2CCCSC2=Nc2ccccc2C(C)C)oc2ccc(Br)cc12	ZINC000254841901	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000254841956	JK	Agent	Reactive	 
COc1ccc2ccccc2c1C=Nn1c(-c2ccc(OC(F)F)cc2)csc1=NC1CC1	ZINC000254842414	JK	Agent	Mild	 
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1C=NNC(=O)c1c[nH]c2ccccc12	ZINC000254842420	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1	ZINC000254842421	JK	Agent	Anodyne	 
O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccc2ccccc2c1	ZINC000254842579	JK	Agent	Anodyne	 
O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccco2)C1=O)Nc1ccc2ccccc2c1	ZINC000254842580	JK	Agent	Anodyne	 
Cc1cc(C(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Sc2nc3ccccc3s2)c(C)o1	ZINC000254843121	JK	Agent	Reactive	 
COc1ccc(-c2csc(=Nc3ccc(C)cc3C)n2N=C2C(=O)N(C)c3ccccc32)cc1	ZINC000254843668	JK	Agent	Mild	 
CSc1nnc(C(F)F)n1N=Cc1ccc(COc2ccc(Br)cc2Cl)o1	ZINC000254843762	JK	Agent	Anodyne	 
Clc1ccc(/C=C/C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c(Cl)c1	ZINC000254844262	JK	Agent	Anodyne	 
Clc1ccc(/C=C\C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c(Cl)c1	ZINC000254844265	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(S)nnc2C(F)F)cc1COc1ccc(Cl)cc1Cl	ZINC000254844466	JK	Agent	Anodyne	 
O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)NN=Cc1ccc(Cl)cc1	ZINC000254844545	JK	Agent	Anodyne	 
O=c1[nH]ncc(NN=Cc2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1Cl	ZINC000254845572	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(C=NNC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1	ZINC000254845653	JK	Agent	Reactive	 
COc1ccc(C(C)=NOCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1	ZINC000254845977	JK	Agent	Mild	 
COc1ccc(C=NOCc2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)cc1	ZINC000254846028	JK	Agent	Mild	 
CCc1ccc2c(Cl)c(C(=O)NN=C(C)c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1	ZINC000254846116	JK	Agent	Anodyne	 
CC(C)c1ccccc1N=C1SCCCN1C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1	ZINC000254846309	JK	Agent	Anodyne	 
CCC(C)(C)c1ccc(OCCCC(=O)NN=C(C)c2ccc(OC)cc2)c(C(C)(C)CC)c1	ZINC000254846346	JK	Agent	Reactive	 
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2cccs2)cn1N=Cc1ccccc1	ZINC000254846581	JK	Agent	Anodyne	 
FC(F)Sc1ccc(N=c2scc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1	ZINC000254846829	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c(Nc2ccc(Cl)cc2)c1N=Nc1cccc(Cl)c1Cl	ZINC000254847056	JK	Agent	Anodyne	 
Cc1ccc(C)c(N=C2SCC(C)(C)N2C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c1	ZINC000254847982	JK	Agent	Mild	 
O=C(N=C1c2ccccc2CN1c1cc(Cl)cc(Cl)c1)Nc1ccc(Cl)c(Cl)c1	ZINC000254848089	JK	Agent	Anodyne	 
N=C1S/C(=C/c2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000254848678	JK	Agent	Clean	 
N=C1S/C(=C\c2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(N=Nc2ccccc2)cc1	ZINC000254848679	JK	Agent	Clean	 
O=C(NN=Cc1ccc(-c2cccc(Br)c2)o1)C1c2ccccc2Oc2ccccc21	ZINC000254848844	JK	Agent	Anodyne	 
Cc1ccc(N=C2SCCCN2C(=O)CCN2c3ccccc3Sc3ccccc32)cc1Cl	ZINC000254849840	JK	Agent	Anodyne	 
N#Cc1c(N=Cc2ccc(I)cc2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000254849929	JK	Agent	Anodyne	 
O=C1C(=NNc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc2N1Cc1ccc(F)cc1	ZINC000254851690	JK	Agent	Anodyne	 
Clc1ccc(-c2nnc(Nc3ccccc3)sc2=Nc2c(Cl)cc(Cl)cc2Cl)cc1	ZINC000254851729	JK	Agent	Anodyne	 
Cc1cc(C=NNc2ccccc2C(F)(F)F)c(C)n1-c1ccc(I)cc1	ZINC000254851874	JK	Agent	Anodyne	 
COc1cc(C=Nc2cc(C)nn2-c2cccc(Cl)c2)ccc1OCc1ccccc1Cl	ZINC000254852042	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3Cl)c3ccccc23)cc1	ZINC000254853212	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1ccc(Cl)cc1Cl	ZINC000254854040	JK	Agent	Anodyne	 
COc1ccc(C=Nn2c(SC)nnc2C(F)F)cc1COc1cccc(Br)c1	ZINC000254854749	JK	Agent	Anodyne	 
CCOc1ccc(OC)cc1C=NNC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br	ZINC000254855424	JK	Agent	Anodyne	 
CCOc1ccc(OC)cc1C=NNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br	ZINC000254855427	JK	Agent	Anodyne	 
CCCCN=c1scc(-c2ccc(OC)cc2OC)n1N=C(C)c1ccc(OC(F)F)cc1	ZINC000254855972	JK	Agent	Mild	 
COc1ccc(CC(C)=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1	ZINC000254856602	JK	Agent	Reactive	 
Cc1ccc(C)c(N=C2SCC(C)(C)N2C(=O)c2ccccc2OCc2c(C)noc2C)c1	ZINC000254856609	JK	Agent	Mild	 
Cc1ccc(CSc2nc3ccc(N=Cc4ccc(Br)cc4)cc3s2)c(C)c1	ZINC000254857897	JK	Agent	Anodyne	 
O=C(NN=Cc1c(O)c(Br)cc2oc3c(c12)CCCC3)c1sc2ccccc2c1O	ZINC000254858924	JK	Agent	Anodyne	 
CC(C)c1ccc(N=c2scc(-c3ccc(OC(F)F)cc3)n2Cc2ccc3c(c2)OCO3)cc1	ZINC000254861665	JK	Agent	Anodyne	 
O=C(Nc1ccccc1C(F)(F)F)c1c(N=Cc2ccccc2Cl)sc2c1CCCC2	ZINC000254862397	JK	Agent	Anodyne	 
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)c2ccc(Br)cc2)cc1	ZINC000254862459	JK	Agent	Anodyne	 
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1N=Cc1ccccc1	ZINC000254863203	JK	Agent	Anodyne	 
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1N=Cc1ccccc1	ZINC000254863204	JK	Agent	Anodyne	 
CCSc1nnc(-c2cccs2)n1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000254865349	JK	Agent	Anodyne	 
CCN(CC)c1ccc(C=Nc2ccccc2N=Cc2ccc(N(CC)CC)cc2O)c(O)c1	ZINC000254865352	JK	Agent	Mild	 
O=C(CSc1nc2ccccc2[nH]1)Nn1c(-c2ccccc2)csc1=Nc1ccccc1	ZINC000254865373	JK	Agent	Anodyne	 
NC(=O)c1cc(-c2csc(=Nc3ccc(Cl)cc3Cl)n2CCc2ccccc2)ccc1O	ZINC000254865425	JK	Agent	Anodyne	 
C[C@H]1CC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1	ZINC000254865430	JK	Agent	Anodyne	 
C[C@@H]1CC(=NNC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1	ZINC000254865432	JK	Agent	Anodyne	 
Fc1c(F)c(F)c(N=Cc2ccc(C=Nc3c(F)c(F)c(F)c(F)c3F)cc2)c(F)c1F	ZINC000254865530	JK	Agent	Mild	 
Clc1ccc(C=Nc2cccc3c(N=Cc4ccc(Cl)cc4Cl)cccc23)c(Cl)c1	ZINC000254866811	JK	Agent	Anodyne	 
Oc1cccc2cccc(C=NNc3nc(-c4ccccc4)c4cc(Br)ccc4n3)c12	ZINC000254867119	JK	Agent	Anodyne	 
C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)csc1=Nc1ccc(C)cc1Br	ZINC000254867215	JK	Agent	Anodyne	 
O=C(N=C1c2ccccc2CN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Cl	ZINC000254867652	JK	Agent	Anodyne	 
Cc1ccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2Cc2ccc(Cl)cc2Cl)cc1	ZINC000254868200	JK	Agent	Anodyne	 
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)F)cc1	ZINC000254868687	JK	Agent	Anodyne	 
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccc(OC(F)F)cc1	ZINC000254868691	JK	Agent	Anodyne	 
COc1ccccc1C(=O)Nc1c(C(=O)NN=CC2CCCCC2)sc2nc(C)cc(C)c12	ZINC000254868772	JK	Agent	Reactive	 
Cc1c(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000254869287	JK	Agent	Reactive	 
Fc1ccc(N=c2scc(-c3cc4ccccc4o3)n2N=Cc2ccc3c(c2)OCO3)c(F)c1	ZINC000254869290	JK	Agent	Mild	 
CN=c1scc(-c2ccc(Br)cc2)n1N=Cc1cc(Br)ccc1OC	ZINC000254869405	JK	Agent	Anodyne	 
COc1cc(-c2csc(=Nc3ccc(C)cc3C)n2C[C@@H]2CCCO2)cc(OC)c1OC	ZINC000254870066	JK	Agent	Anodyne	 
COc1cc(-c2csc(=Nc3ccc(C)cc3C)n2C[C@H]2CCCO2)cc(OC)c1OC	ZINC000254870067	JK	Agent	Anodyne	 
Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)NN=Cc2ccco2)n1-c1ccccc1	ZINC000254870238	JK	Agent	Anodyne	 
Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)NN=Cc2ccco2)n1-c1ccccc1	ZINC000254870240	JK	Agent	Anodyne	 
CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1	ZINC000254870449	JK	Agent	Anodyne	 
COc1ccccc1NC(=O)CSc1nc2ccc(N=Cc3c(F)cccc3Cl)cc2s1	ZINC000254870656	JK	Agent	Anodyne	 
CCn1nc(C)c(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C(C)(C)C)C3)c1C	ZINC000254870822	JK	Agent	Mild	 
CCn1nc(C)c(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C(C)(C)C)C3)c1C	ZINC000254870823	JK	Agent	Mild	 
CCN(CC)S(=O)(=O)c1ccc(N=Cc2ccc(N3CCC(c4ccccc4)=N3)cc2)cc1	ZINC000254871335	JK	Agent	Mild	 
Clc1ccccc1C=NOCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1	ZINC000254871471	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(S(=O)(=O)NN=Cc2cn(Cc3ccccc3F)c3ccccc23)cc1	ZINC000254872084	JK	Agent	Mild	 
Cc1cc(I)c(O)c(C=Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1	ZINC000254872149	JK	Agent	Anodyne	 
CCN(CC)CCC[C@H](C)n1c(-c2cc(OC)ccc2OC)csc1=Nc1cccnc1	ZINC000254872222	JK	Agent	Anodyne	 
CCN(CC)CCC[C@@H](C)n1c(-c2cc(OC)ccc2OC)csc1=Nc1cccnc1	ZINC000254872223	JK	Agent	Anodyne	 
COc1cccc(C=Nc2ccc(Oc3ccc(N=Cc4cccc(OC)c4O)cc3)cc2)c1O	ZINC000254872284	JK	Agent	Mild	 
CCSc1nnc(C(F)(F)F)n1N=Cc1ccc(COc2cc(C)c(Cl)c(C)c2)o1	ZINC000254872940	JK	Agent	Anodyne	 
O=S(=O)(c1ccc(N2CCCCC2)c(N=Cc2ccc(OC(F)F)cc2)c1)N1CCCCC1	ZINC000254873097	JK	Agent	Mild	 
CCSc1nnc(-c2ccco2)n1N=Cc1ccc(COc2ccc(Br)cc2)o1	ZINC000254873276	JK	Agent	Anodyne	 
O=C(C[C@@H]1S/C(=N/N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=O)Nc1ccccc1	ZINC000254873856	JK	Agent	Anodyne	 
O=C(C[C@H]1S/C(=N/N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=O)Nc1ccccc1	ZINC000254873859	JK	Agent	Anodyne	 
C=C(C)CN=c1scc(-c2ccco2)n1N=Cc1cc(Br)cc(Br)c1O	ZINC000254874819	JK	Agent	Anodyne	 
CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)nn1-c1ccccc1	ZINC000254874993	JK	Agent	Clean	 
COCCN=c1scc(-c2ccc(C3CCCCC3)cc2)n1N=Cc1ccc(O)c(OC)c1	ZINC000254875268	JK	Agent	Mild	 
O=C1CSC(=Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)N1CCc1ccccc1	ZINC000254875801	JK	Agent	Anodyne	 
CN1CCN(C=Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)CC1	ZINC000254876129	JK	Agent	Mild	 
Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)NN=C[C@H](C)Cc3ccc4c(c3)OCO4)c2c1	ZINC000254876302	JK	Agent	Reactive	 
CCCCOCCCn1c(-c2ccc3c(c2)OCCO3)csc1=Nc1ccc(OC)cc1	ZINC000254876703	JK	Agent	Anodyne	 
CCCCN=c1scc(-c2ccc(C)cc2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000254876879	JK	Agent	Mild	 
COc1ccc(O)c(C=Nc2cc(C(F)(F)F)ccc2Oc2cc(Cl)ccc2Cl)c1	ZINC000254876986	JK	Agent	Anodyne	 
C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)csc1=Nc1ccc(Cl)cc1Cl	ZINC000254877170	JK	Agent	Anodyne	 
Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccc(Cl)cc2Cl)csc1=NC[C@@H]1CCCO1	ZINC000254877336	JK	Agent	Anodyne	 
Cc1[nH]c2ccccc2c1C=Nn1c(-c2ccc(Cl)cc2Cl)csc1=NC[C@H]1CCCO1	ZINC000254877337	JK	Agent	Anodyne	 
CCN=c1scc(-c2ccc(C)c(C)c2)n1N=Cc1ccccc1I	ZINC000254877406	JK	Agent	Anodyne	 
CC(=NNC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254877584	JK	Agent	Reactive	 
CCOCCCn1c(-c2ccc3c(c2)NC(=O)CO3)csc1=Nc1ccc(SC(F)F)cc1	ZINC000254879365	JK	Agent	Anodyne	 
COc1cccc(C=Nc2ccc(-c3ccc(N=Cc4cccc(OC)c4O)cc3)cc2)c1O	ZINC000254883500	JK	Agent	Mild	 
CC(=O)Oc1ccc2ccccc2c1C=Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000254893686	JK	Agent	Mild	 
CC(=NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc2c(c1)Nc1ccccc1S2	ZINC000254894518	JK	Agent	Reactive	 
CC(CCC(C)C)=NNC(=O)CNc1c(Br)cc(Br)cc1Br	ZINC000254897761	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(-c2ccc(C=Nn3cnc4scc(-c5cccs5)c4c3=O)o2)cc1	ZINC000254897838	JK	Agent	Mild	 
Cc1ccc2sc(-c3ccc(N=Cc4c(C)c(Cl)c(C)c(Br)c4O)cc3)nc2c1	ZINC000254902491	JK	Agent	Anodyne	 
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(N=Cc2cccc(OCc3ccccc3)c2)c1	ZINC000254903823	JK	Agent	Mild	 
Cn1ncc(N=Cc2ccc(COc3cc(Cl)ccc3Cl)o2)c1C(=O)NCc1ccco1	ZINC000254904205	JK	Agent	Anodyne	 
Cc1cc(C)cc(OCc2ccc(C=NNC(=O)CCn3nc(C(F)(F)F)cc3C3CC3)o2)c1	ZINC000254904852	JK	Agent	Reactive	 
Cc1cc(C=NNC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccccc1Cl	ZINC000254906204	JK	Agent	Anodyne	 
O=C(NN=Cc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(Br)s1	ZINC000254907341	JK	Agent	Anodyne	 
CCc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1	ZINC000254908875	JK	Agent	Anodyne	 
CCc1ccc(N=C2S[C@@H](CC(=O)Nc3ccc(C(C)=O)cc3)C(=O)N2Cc2ccco2)cc1	ZINC000254908878	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@H](CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccccc1OC	ZINC000254909229	JK	Agent	Anodyne	 
COc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccccc2Cl)C(=O)N1c1ccccc1OC	ZINC000254909231	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=Nc5ccccc5C)(c5ccccc54)[C@H]3C2=O)cc1	ZINC000254913868	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C=Nc3ccccc3C)c3ccccc32)cc1	ZINC000254913871	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C=Nc5ccccc5C)(c5ccccc54)[C@@H]3C2=O)cc1	ZINC000254913873	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C=Nc5ccccc5C)(c5ccccc54)[C@@H]3C2=O)cc1	ZINC000254913876	JK	Agent	Anodyne	 
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12	ZINC000025540566	JK	Agent	Anodyne	 
C[C@@H]1[C@H]2[C@]3(CC[C@H]1C)CC[C@]1(C)[C@@]2(C=C[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@]21C)OC3=O	ZINC000255272231	JK	Agent	Anodyne	 
Cc1ccc(C)c(N=C2S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1	ZINC000255881558	JK	Agent	Mild	 
Cc1ccc(C)c(N=C2S[C@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2Cc2ccccn2)c1	ZINC000255881559	JK	Agent	Mild	 
CC(C)(C)c1ccc(COc2ccc(Br)cc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1	ZINC000256046540	JK	Agent	Reactive	 
COC(=O)c1ccc2nc(-c3cc(Br)c(OCc4ccccc4F)c(OC)c3)[nH]c2c1	ZINC000256048202	JK	Agent	Anodyne	 
COC(=O)c1ccc2nc(-c3cc(Br)ccc3OCc3ccccc3Cl)[nH]c2c1	ZINC000256048209	JK	Agent	Anodyne	 
Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Nn3c4ccccc4c4ccccc43)cc2)cc1	ZINC000257136720	JK	Agent	Mild	 
CC(C)c1noc([C@H]2CCCN(Cc3cn(C(C)C)c4ccccc34)CCC(=O)NCC2)n1	ZINC000257179746	JK	Agent	Anodyne	 
CC(C)c1noc([C@@H]2CCCN(Cc3cn(C(C)C)c4ccccc34)CCC(=O)NCC2)n1	ZINC000257179748	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)N2CCC3(CC2)C[C@H](Cc2nc(-c4ccccc4)no2)CCO3)cc1C	ZINC000257180869	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)N2CCC3(CC2)C[C@@H](Cc2nc(-c4ccccc4)no2)CCO3)cc1C	ZINC000257180870	JK	Agent	Anodyne	 
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23)Nc1ccc(F)cc1F	ZINC000257181057	JK	Agent	Anodyne	 
COc1ccc(CN2CCCCCNC(=O)C[C@@H]2c2ccccc2)cc1Cc1c(C)noc1C	ZINC000257181551	JK	Agent	Anodyne	 
COc1ccc(CN2CCCCCNC(=O)C[C@H]2c2ccccc2)cc1Cc1c(C)noc1C	ZINC000257181552	JK	Agent	Anodyne	 
Cc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)Nc2ccccc2)cc1	ZINC000257181676	JK	Agent	Anodyne	 
COc1ccc2c(c1)c(CN1CCC[C@H](c3nc(C(C)C)no3)CCNC(=O)CC1)cn2C(C)C	ZINC000257181962	JK	Agent	Anodyne	 
COc1ccc2c(c1)c(CN1CCC[C@@H](c3nc(C(C)C)no3)CCNC(=O)CC1)cn2C(C)C	ZINC000257181963	JK	Agent	Anodyne	 
COc1ccccc1NC(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)Nc1ccccc1	ZINC000257183190	JK	Agent	Anodyne	 
COCCN1CCCCC[C@@H](O)c2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc21	ZINC000257185048	JK	Agent	Clean	 
COCCN1CCCCC[C@H](O)c2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)ccc21	ZINC000257185049	JK	Agent	Clean	 
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccccc1F)[C@@H]23)Nc1ccccc1	ZINC000257185937	JK	Agent	Anodyne	 
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cc(F)cc(F)c1)[C@@H]23)Nc1ccccc1	ZINC000257187091	JK	Agent	Anodyne	 
Cc1ccsc1C(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCC(=O)Nc1ccccc1	ZINC000257189160	JK	Agent	Anodyne	 
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)Nc1ccccc1)[C@@H]23)Nc1ccccc1	ZINC000257189783	JK	Agent	Anodyne	 
COc1ccc(C)cc1NC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23	ZINC000257192089	JK	Agent	Anodyne	 
Cc1nc2c(C(=O)N3CC[C@@H](CCOc4ccccc4)C3)cnn2c(C)c1Cc1ccccc1Cl	ZINC000257192808	JK	Agent	Anodyne	 
Cc1nc2c(C(=O)N3CC[C@H](CCOc4ccccc4)C3)cnn2c(C)c1Cc1ccccc1Cl	ZINC000257192809	JK	Agent	Anodyne	 
Cc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)Nc2ccccc2)s1	ZINC000257194637	JK	Agent	Anodyne	 
CCN(Cc1ccccc1)C(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23	ZINC000257195442	JK	Agent	Anodyne	 
O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cc(F)ccc1F)[C@@H]23)Nc1ccccc1	ZINC000257196632	JK	Agent	Anodyne	 
O=C(C[C@H]1S/C(=N\CCc2ccccc2)N(N=Cc2cccs2)C1=O)Nc1ccc(Cl)cc1	ZINC000261119715	JK	Agent	Anodyne	 
O=C(C[C@@H]1S/C(=N\CCc2ccccc2)N(N=Cc2cccs2)C1=O)Nc1ccc(Cl)cc1	ZINC000261119717	JK	Agent	Anodyne	 
CCCc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1C[C@H](C)NC[C@H]1C	ZINC000261506967	JK	Agent	Anodyne	 
Brc1c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)c2ccccc12	ZINC000261507125	JK	Agent	Bother	 
Cc1cc(Nc2nc(CC3(C#N)CCN(C(=O)OC(C)(C)C)CC3)ccc2F)n(C(C)(C)C)n1	ZINC000261507188	JK	Agent	Mild	 
C[C@H](/C=C\C(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/[C@H]1CCCC2(C1)OCCO2	ZINC000261507278	JK	Agent	Anodyne	 
C[C@H](/C=C\C(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/[C@@H]1CCCC2(C1)OCCO2	ZINC000261507279	JK	Agent	Anodyne	 
Brc1ccc2c3c4ccccc4c4ccccc4c3n(-c3ccc(-c4ccccc4)cc3)c2c1	ZINC000261507487	JK	Agent	Bother	 
Brc1cc(-c2ccc(-c3ccccc3)c3[nH]c4ccccc4c23)c2[nH]c3ccccc3c2c1	ZINC000261508476	JK	Agent	Anodyne	 
C(=C/c1ccc2c(c1)c1ccccc1n2-c1ccccc1)\c1ccc(-c2ccc(-c3ccccc3)cc2)cc1	ZINC000261508755	JK	Agent	Anodyne	 
Cc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1	ZINC000263590616	JK	Agent	Mild	aggregator
Cc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1	ZINC000263590617	JK	Agent	Mild	aggregator
COc1ccc(N[P@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)c2ccccc12	ZINC000263621423	JK	Agent	Anodyne	 
COc1ccc(N[P@@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)c2ccccc12	ZINC000263621424	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(N[P@@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1	ZINC000263621425	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(N[P@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1	ZINC000263621426	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1cc(Cl)ccc1Cl	ZINC000263621600	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1cc(Cl)ccc1Cl	ZINC000263621601	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(F)cc1F	ZINC000263621602	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(F)cc1F	ZINC000263621603	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(SC(F)F)cc1	ZINC000263621606	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(SC(F)F)cc1	ZINC000263621607	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc2ccccc2c1	ZINC000263621611	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc2ccccc2c1	ZINC000263621612	JK	Agent	Anodyne	 
Cc1ccc(N[P@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1Cl	ZINC000263621623	JK	Agent	Anodyne	 
Cc1ccc(N[P@@](=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)cc1Cl	ZINC000263621624	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1	ZINC000263621627	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(Cl)c(Cl)c1	ZINC000263621628	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1cc(Cl)cc(Cl)c1	ZINC000263621631	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1cc(Cl)cc(Cl)c1	ZINC000263621632	JK	Agent	Anodyne	 
CCCCN(CCCC)[P@@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1	ZINC000263621633	JK	Agent	Anodyne	 
CCCCN(CCCC)[P@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1	ZINC000263621634	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccccc1Br	ZINC000263621635	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccccc1Br	ZINC000263621636	JK	Agent	Anodyne	 
C[C@H](NP(=O)(/C=C(/Cl)c1ccccc1)/C=C(/Cl)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2	ZINC000263621643	JK	Agent	Anodyne	 
C[C@H](N[P@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2	ZINC000263621644	JK	Agent	Anodyne	 
C[C@H](N[P@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC000263621645	JK	Agent	Anodyne	 
CC1(C)C[C@H]2C[C@@](C)(C1)N2[P@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1	ZINC000263621648	JK	Agent	Anodyne	 
CC1(C)C[C@H]2C[C@@](C)(C1)N2[P@@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1	ZINC000263621649	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1c(Cl)cccc1Cl	ZINC000263621652	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1c(Cl)cccc1Cl	ZINC000263621653	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(F)c(F)c1F	ZINC000263621663	JK	Agent	Anodyne	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(F)c(F)c1F	ZINC000263621664	JK	Agent	Anodyne	 
Cc1cc(Cl)ccc1N[P@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1	ZINC000263621665	JK	Agent	Anodyne	 
Cc1cc(Cl)ccc1N[P@@](=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1	ZINC000263621666	JK	Agent	Anodyne	 
O=[P@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)N/N=C/c1ccc(Cl)cc1	ZINC000263621667	JK	Agent	Mild	 
O=[P@@](/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)N/N=C/c1ccc(Cl)cc1	ZINC000263621668	JK	Agent	Mild	 
Cc1ccc(N=C2SCCCN2C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1Cl	ZINC000263622174	JK	Agent	Anodyne	 
FC(F)(F)c1nnc(S)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000263622325	JK	Agent	Anodyne	 
COCc1cc(C)nc2sc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)c(-n3cccc3)c12	ZINC000263622422	JK	Agent	Reactive	 
COC(=O)c1ccc(C=Nn2c(-c3ccc(Cl)cc3Cl)csc2=NC[C@H]2CCCO2)cc1	ZINC000263625756	JK	Agent	Anodyne	 
COC(=O)c1ccc(C=Nn2c(-c3ccc(Cl)cc3Cl)csc2=NC[C@@H]2CCCO2)cc1	ZINC000263625757	JK	Agent	Anodyne	 
Cc1cc(C)c(C=Nc2ccc(-c3ccc(N=Cc4c(C)cc(C)cc4C)c(C)c3)cc2C)c(C)c1	ZINC000263626803	JK	Agent	Mild	 
CCCCN=c1scc(-c2ccc(Br)s2)n1N=Cc1c[nH]c2ccccc12	ZINC000263626950	JK	Agent	Anodyne	 
N#Cc1ccc(C=Nc2ccc(C3(c4ccc(N=Cc5ccc(C#N)cc5)cc4)CCCCC3)cc2)cc1	ZINC000263626997	JK	Agent	Mild	 
Cc1ccccc1C[C@@H](C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1	ZINC000263627132	JK	Agent	Anodyne	 
Cc1ccccc1C[C@H](C(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1	ZINC000263627133	JK	Agent	Anodyne	 
Cc1cc(C=NNC(=O)CSc2nc3ccccc3o2)c(C)n1-c1cc(Cl)cc(Cl)c1	ZINC000263627692	JK	Agent	Anodyne	 
Cc1cc(OCc2ccc(C=Nc3cnn(C)c3C(=O)NCc3ccco3)o2)cc(C)c1Cl	ZINC000263627741	JK	Agent	Anodyne	 
CCn1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C(C)(C)C)C3)c(C)n1	ZINC000263627912	JK	Agent	Mild	 
CCn1cc(C=Nc2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C(C)(C)C)C3)c(C)n1	ZINC000263627913	JK	Agent	Mild	 
CCCOc1cccc(C(C)=NNC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)c1	ZINC000263627918	JK	Agent	Anodyne	 
Cc1cc(C=NNc2nncc3ccccc23)c(C)n1-c1ccc(I)cc1	ZINC000263628076	JK	Agent	Anodyne	 
c1ccc(N=Nc2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1	ZINC000263628154	JK	Agent	Reactive	 
Cc1ccc(N=C2SCCCN2C(=O)c2cc(-c3cccs3)nc3ccccc23)cc1Cl	ZINC000263628370	JK	Agent	Anodyne	 
Cc1ccccc1N=C1SCC(C)(C)N1C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1	ZINC000263628467	JK	Agent	Mild	 
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000263628731	JK	Agent	Anodyne	 
Cc1cc(I)c(O)c(C=Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1	ZINC000263628835	JK	Agent	Anodyne	 
Cc1cc(C=Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000263628902	JK	Agent	Mild	 
Cc1c(N=Cc2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C	ZINC000263628976	JK	Agent	Mild	 
O=C1COc2ccc(-c3csc(=Nc4ccc(OC(F)F)cc4)n3Cc3ccco3)cc2N1	ZINC000263629171	JK	Agent	Anodyne	 
O=C(Oc1ccc2ccccc2c1C=Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	ZINC000263629172	JK	Agent	Anodyne	 
CC(=NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(C2CCCCC2)cc1	ZINC000263629272	JK	Agent	Reactive	 
Clc1ccc(N=c2scc(-c3ccc(Br)s3)n2Cc2ccccc2)cc1	ZINC000263629546	JK	Agent	Anodyne	 
CC(C)(C)c1cc(Br)c(O)c(N=Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	ZINC000263629620	JK	Agent	Anodyne	 
CCOc1cc(C=NN=Cc2cc(Cl)c(OC(C)C)c(OCC)c2)cc(Cl)c1OC(C)C	ZINC000263630055	JK	Agent	Anodyne	 
CC[C@H]1CCc2sc(C(=O)NN=C(C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1	ZINC000263630616	JK	Agent	Reactive	 
CC[C@@H]1CCc2sc(C(=O)NN=C(C)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2C1	ZINC000263630617	JK	Agent	Reactive	 
Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1SCc1nc(-c2ccc(Cl)cc2)no1	ZINC000263630623	JK	Agent	Mild	
CN=c1scc(-c2ccc(Cl)cc2Cl)n1N=Cc1ccccc1I	ZINC000263630767	JK	Agent	Anodyne	 
O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccccc1OCCOc1ccccc1	ZINC000263630845	JK	Agent	Reactive	 
FC(F)Oc1ccc(-c2csc(=NCCc3ccccc3)n2N=Cc2ccccn2)cc1	ZINC000263630986	JK	Agent	Mild	 
O=C(C[C@@H]1S/C(=N/CCc2ccccc2)N(N=Cc2cccs2)C1=O)Nc1ccc(Cl)cc1	ZINC000263631169	JK	Agent	Anodyne	 
O=C(C[C@H]1S/C(=N/CCc2ccccc2)N(N=Cc2cccs2)C1=O)Nc1ccc(Cl)cc1	ZINC000263631170	JK	Agent	Anodyne	 
Cc1nn(C)c(Cl)c1C=NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	ZINC000263631680	JK	Agent	Anodyne	 
CCN(CC)c1ccc(C=NN2C(=O)c3ccccc3N[C@H]2c2ccc(N(CC)CC)cc2)cc1	ZINC000263631787	JK	Agent	Mild	 
CCN(CC)c1ccc(C=NN2C(=O)c3ccccc3N[C@@H]2c2ccc(N(CC)CC)cc2)cc1	ZINC000263631788	JK	Agent	Mild	 
O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1cn(-c2ccccc2)nc1-c1cccs1	ZINC000263631799	JK	Agent	Mild	 
Cc1ccc(OP(=O)(NN=C(C(=O)c2ccccc2)c2ccccc2)Oc2ccc(C)cc2)cc1	ZINC000263631853	JK	Agent	Mild	 
Cc1ccc2nc(C(Cl)(Cl)Cl)nc(NN=Cc3c4ccccc4cc4ccccc34)c2c1	ZINC000263632071	JK	Agent	Mild	 
O=C(N(N=Cc1ccccc1)c1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000263632239	JK	Agent	Anodyne	 
CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C/c2ccc(Cl)cc2Cl)C1=O	ZINC000003005152	JK	Agent	Mild	 
Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccccc45)cc3N2)cc1	ZINC000003011859	JK	Agent	Anodyne	 
Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccccc45)cc3N2)cc1	ZINC000003011861	JK	Agent	Anodyne	 
Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccccc45)cc3N2)cc1	ZINC000003011863	JK	Agent	Anodyne	 
Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccccc45)cc3N2)cc1	ZINC000003011864	JK	Agent	Anodyne	 
Cc1sc2nc(-c3ccccc3Cl)n(Cc3csc(-c4ccc(Cl)cc4)n3)c(=O)c2c1C	ZINC000003017703	JK	Agent	Anodyne	 
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000003034374	JK	Agent	Reactive	 
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)o2)cc1Cl	ZINC000003035319	JK	Agent	Reactive	 
COc1ccc(-c2ccc(/C=N/c3cc(-c4nc5cc(Cl)ccc5o4)ccc3C)o2)cc1Cl	ZINC000003042646	JK	Agent	Mild	 
Cc1cccc(OCC(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1	ZINC000003073327	JK	Agent	Reactive	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1	ZINC000003073329	JK	Agent	Reactive	
O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000003096129	JK	Agent	Reactive	
CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1	ZINC000003097161	JK	Agent	Mild	
CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1	ZINC000003097173	JK	Agent	Mild	
CC1(C)OCC(Cc2cccc(Br)c2)(Cc2cccc(Br)c2)CO1	ZINC000003097727	JK	Agent	Anodyne	
O=C(O)c1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(C(=O)O)cc4)cc3)cc2)cc1	ZINC000003099678	JK	Agent	Mild	
Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1	ZINC000003114227	JK	Agent	Mild	 
C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000003125963	JK	Agent	Anodyne	 
Cc1cc(Br)c(NCC(=O)NN=Cc2ccc(Cl)cc2Cl)c(Br)c1	ZINC000003131177	JK	Agent	Anodyne	 
Cc1ccc(P(=O)(CP(=O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1	ZINC000003146829	JK	Agent	Reactive	
CSc1nc(Cl)c(Cc2ccc(OC(C)C)cc2)c(NS(=O)(=O)c2ccc(C)cc2)n1	ZINC000003147044	JK	Agent	Anodyne	
COc1ccc(S(=O)(=O)Nc2nc(SC)nc(Cl)c2Cc2ccc(OC(C)C)cc2)cc1	ZINC000003147045	JK	Agent	Anodyne	
O=C1/C(=C/Nc2ccccc2C(F)(F)F)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F	ZINC000003166994	JK	Agent	Anodyne	 
CCN1C(=O)/C(=C/c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)SC1=S	ZINC000003167385	JK	Agent	Clean	 
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)Nc1cccc(F)c1	ZINC000003168580	JK	Agent	Clean	 
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(SC(F)F)cc1	ZINC000003168621	JK	Agent	Clean	 
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(SC(F)F)cc1	ZINC000003168624	JK	Agent	Clean	 
O=C(Nc1ccc(Cl)cc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1	ZINC000003169796	JK	Agent	Anodyne	 
O=[N+]([O-])C(=C(NCc1ccccc1)NCc1ccccc1)/C(Cl)=C(\Cl)Br	ZINC000003171313	JK	Agent	Anodyne	
Cc1nc2ccccc2c(=O)n1-c1ccc(-c2ccc(NC=C3C(=O)c4ccccc4C3=O)cc2)cc1	ZINC000003172053	JK	Agent	Mild	
O=[N+]([O-])c1ccc(C#Cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)c2ccccc12	ZINC000003172281	JK	Agent	Mild	
Cc1nn(-c2ccccc2)c2c1P(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2	ZINC000003174830	JK	Agent	Reactive	 
COc1ccc(/N=C2/S[C@](c3ccccc3)(C(F)(F)F)N=C(O)N2c2ccc(OC)cc2)cc1	ZINC000003177373	JK	Agent	Mild	 
C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(/C#N)c1nnc2n1CCCCC2	ZINC000003180220	JK	Agent	Reactive	 
CCOc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2Cc2ccccc2)cc1	ZINC000003180679	JK	Agent	Reactive	 
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)o1	ZINC000003181316	JK	Agent	Clean	 
CN1/C(=C/C(=O)c2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)C(C)(C)c2ccccc21	ZINC000003183469	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c2c1[P@@](=O)(N1CCCC1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2	ZINC000003185139	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c2c1[P@](=O)(N1CCCC1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2	ZINC000003185141	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1	ZINC000003185327	JK	Agent	Reactive	 
CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1	ZINC000003185331	JK	Agent	Reactive	 
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)c(C)c1	ZINC000003186232	JK	Agent	Reactive	 
O=C1/C(=C/Nc2ccc(F)c(F)c2F)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F	ZINC000003188172	JK	Agent	Anodyne	 
O=C1/C(=C/Nc2nnc(-c3cccnc3)s2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F	ZINC000003190727	JK	Agent	Anodyne	 
O=C1/C(=C/Nc2cccc([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000003191275	JK	Agent	Bother	 
O=C1/C(=C/Nc2nc(-c3ccccc3)cs2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000003191341	JK	Agent	Anodyne	 
Cc1cc(C(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000003191917	JK	Agent	Reactive	 
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1	ZINC000003191930	JK	Agent	Bother	 
Cc1cc(C(=O)/C(C#N)=C2/C(=O)Nc3ccc(Br)cc32)c(C)n1-c1ccccc1F	ZINC000003192898	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1Sc1ccccc1[N+](=O)[O-]	ZINC000003193367	JK	Agent	Bother	 
O=C(/N=C1/S[C@H]2c3cccc4cccc(c34)[C@H]2N1S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000003195749	JK	Agent	Mild	 
O=C1/C(=C/Nc2cccc3ccccc23)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000003197922	JK	Agent	Anodyne	 
COc1ccccc1N/C(=N/C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(F)(F)F	ZINC000003198133	JK	Agent	Mild	 
FC(F)(F)/C(=N/C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)Oc1ccc2ccccc2c1	ZINC000003198333	JK	Agent	Mild	 
COc1ccc(/C=C/C2=Nc3c(c(C)nn3-c3ccccc3)C(C(F)(F)F)(C(F)(F)F)O2)cc1	ZINC000003199349	JK	Agent	Anodyne	 
Cc1nn(-c2ccccc2)c2c1[P@@](=O)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2	ZINC000003201591	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c2c1[P@](=O)(c1ccccc1)/C(=C1\N(C)c3ccccc3C1(C)C)C=N2	ZINC000003201595	JK	Agent	Reactive	 
CCN(CC)c1ccc(/C=C2\CCC(Sc3ccc([N+](=O)[O-])cc3)=C2N2CCOCC2)cc1	ZINC000003202583	JK	Agent	Clean	 
O=C1/C(=C\c2ccc(Br)cc2)S[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1	ZINC000003202716	JK	Agent	Anodyne	 
O=C1/C(=C\c2ccc(Br)cc2)S[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1	ZINC000003202720	JK	Agent	Anodyne	 
O=C(Nc1cc(C(F)(F)F)ccc1Cl)/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1	ZINC000003206000	JK	Agent	Anodyne	 
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1	ZINC000003206201	JK	Agent	Reactive	 
COc1cc(/C=C/C(=O)Nc2cc(C)nn2-c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC	ZINC000003206225	JK	Agent	Anodyne	 
Cc1ccc(NC(=S)C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3Cl)CC2)cc1C	ZINC000003206445	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)c(Cl)c1)C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000003206828	JK	Agent	Bother	 
CC(C)(C)[C@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1	ZINC000003207591	JK	Agent	Reactive	 
CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1	ZINC000003207593	JK	Agent	Reactive	 
O=C1OC(c2cccs2)=N/C1=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1	ZINC000003208737	JK	Agent	Anodyne	 
COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)Nc2ccc(F)cc2)cc1	ZINC000003210552	JK	Agent	Anodyne	 
FC(F)(F)/C(=N\C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)N1CCN(c2ccccc2)CC1	ZINC000003216776	JK	Agent	Mild	 
CC(=O)c1ccc(O/C(=N/C2(C(Cl)(Cl)Cl)Oc3ccccc3O2)C(F)(F)F)cc1	ZINC000003216786	JK	Agent	Mild	 
FC(F)(F)/C(=N\c1ccc2c(c1)OCO2)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1	ZINC000003216788	JK	Agent	Mild	 
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br	ZINC000003217510	JK	Agent	Reactive	 
C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br	ZINC000003217511	JK	Agent	Reactive	 
O=c1c2c(-c3ccccc3)c(Sc3ccccc3[N+](=O)[O-])sc2ncn1/N=C/c1cccs1	ZINC000003218801	JK	Agent	Mild	 
O=C(N[C@@H](C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1	ZINC000003219626	JK	Agent	Anodyne	 
O=C(N[C@H](C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(Cl)(Cl)Cl)c1ccccc1	ZINC000003219628	JK	Agent	Anodyne	 
N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F	ZINC000003219648	JK	Agent	Reactive	 
CCN(CC)c1ccc(/C=C2\CCC(/C=C3/N=C(c4cccs4)OC3=O)=C2N2CCOCC2)cc1	ZINC000003219722	JK	Agent	Clean	 
O=C1/C(=C\Nc2cccc(C(F)(F)F)c2)c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2	ZINC000003220672	JK	Agent	Anodyne	 
COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1	ZINC000003221061	JK	Agent	Anodyne	 
Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)nc3ccccc3c2=O)cc1	ZINC000003222448	JK	Agent	Reactive	 
CCc1ccc(-n2c(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)nnc2-c2ccncc2)cc1	ZINC000003222450	JK	Agent	Mild	 
Cc1c(Cl)cccc1N/C(SCC(=O)N1CCCCCC1)=C(/C#N)c1nc2ccccc2s1	ZINC000003223105	JK	Agent	Reactive	 
Cc1ccc(N/C(SCC(=O)NC2CCCCCCC2)=C(/C#N)c2nc3ccccc3s2)cc1	ZINC000003223113	JK	Agent	Reactive	 
O=C(COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)Nc1cc(Cl)ccc1Cl	ZINC000003229739	JK	Agent	Anodyne	 
N#C/C(=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000003232177	JK	Agent	Reactive	 
O=C(NN=Cc1c2ccccc2cc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1	ZINC000003238117	JK	Agent	Anodyne	 
Cc1c(N(/C=C2/Sc3ccccc3C2=O)C(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C	ZINC000003238230	JK	Agent	Mild	 
N#Cc1c(/N=C2/C(=O)Nc3ccc(Br)cc32)oc(-c2ccccc2)c1-c1ccccc1	ZINC000003238413	JK	Agent	Mild	 
CCOC(=O)Cc1csc(NC(=O)/C(=C/c2cccs2)c2ccc(-c3ccccc3)cc2)n1	ZINC000003238901	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000003239880	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000003239881	JK	Agent	Anodyne	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(=C/c3cccs3)c3cccs3)cc2)nc(C)n1	ZINC000003241504	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCC(=O)c3ccc(C#N)cc3)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000003242384	JK	Agent	Mild	 
O=c1oc2ccc(Br)cc2cc1-c1nn(-c2ccccc2)cc1/C=N/Cc1ccccc1	ZINC000003243294	JK	Agent	Mild	 
CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)cc1	ZINC000003246914	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N/C(S)=C(/C(=O)c1ccccc1Br)[n+]1ccccc1	ZINC000003248859	JK	Agent	Mild	 
O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NC(c1ccccc1)c1ccccc1	ZINC000003250045	JK	Agent	Anodyne	aggregator
CCOc1ccccc1N/C(S)=C(/C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(C(C)(C)C)cc1	ZINC000003251294	JK	Agent	Mild	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)OCC(=O)c1ccc(Br)s1	ZINC000003252353	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1I	ZINC000003255442	JK	Agent	Reactive	 
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(Br)cc1	ZINC000003255544	JK	Agent	Reactive	 
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000003256603	JK	Agent	Reactive	 
Cc1c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000003256605	JK	Agent	Reactive	 
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000003256608	JK	Agent	Reactive	 
Cc1c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1	ZINC000003256610	JK	Agent	Reactive	 
Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)N=C2SCC(=O)c2ccccc2)cc1	ZINC000003258743	JK	Agent	Anodyne	 
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1	ZINC000003261495	JK	Agent	Reactive	 
Cc1noc(C)c1COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000003261989	JK	Agent	Anodyne	 
COc1ccc(-n2c(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)nc3ccccc32)cc1	ZINC000003262352	JK	Agent	Mild	 
O=C(COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1)Nc1ncc(Cl)cc1Cl	ZINC000003264520	JK	Agent	Anodyne	 
O=C(O)/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000003265452	JK	Agent	Anodyne	 
O=C(O)/C(=C\c1ccc(-c2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000003265455	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\N(Cc3ccccc3)Cc3ccccc3)c3ccccc3C2=O)cc1C	ZINC000003266568	JK	Agent	Anodyne	 
CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1	ZINC000003268140	JK	Agent	Reactive	 
CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1	ZINC000003268149	JK	Agent	Reactive	 
COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c2ccccc2)c1	ZINC000003271629	JK	Agent	Anodyne	 
O=C1/C(=C/Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2C(=O)N1c1ccccc1Cl	ZINC000003273768	JK	Agent	Bother	 
N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C1\Nc2ccccc2S1	ZINC000003274626	JK	Agent	Reactive	 
O=C1/C(=C/Nc2ccc(Br)cc2F)c2ccccc2C(=O)N1c1ccccc1Cl	ZINC000003278936	JK	Agent	Anodyne	 
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)/C=C/c2c(C)nn(Cc3ccccc3)c2Cl)c1	ZINC000003278958	JK	Agent	Mild	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC(=O)c1c[nH]c2ccccc12	ZINC000003278970	JK	Agent	Anodyne	 
S=C(Nc1ccccc1)C1=C(N2CCCCC2)/C(=C/c2ccc(Br)cc2)CC1	ZINC000003281410	JK	Agent	Anodyne	 
O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000003283371	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2ccc(Br)o2)c2ccccc2)cc1Cl	ZINC000003284370	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccc(Br)o2)c2ccccc2)cc1Cl	ZINC000003284374	JK	Agent	Anodyne	 
Cc1c(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)oc2ccc(Br)cc12	ZINC000003284594	JK	Agent	Mild	 
Cl/C=C/CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1	ZINC000003285274	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(SCc3csc(-c4ccccc4)n3)nnc2n1-c1ccccc1	ZINC000003286081	JK	Agent	Anodyne	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N1CCCCCC1	ZINC000003286545	JK	Agent	Anodyne	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N1CCc2ccccc21	ZINC000003286547	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)O[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)ccc1OCC#N	ZINC000003287033	JK	Agent	Mild	 
COc1cc(/C=C/C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)ccc1OCC#N	ZINC000003287036	JK	Agent	Mild	 
Cc1cc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003288405	JK	Agent	Clean	 
C/C(=C/c1c(C)nn(-c2ccccc2)c1Nc1nc2ccccc2n1Cc1ccccc1)c1ccccc1	ZINC000003290053	JK	Agent	Anodyne	 
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)Nc3cc(C)cc(C)c3)c3ccccc3)nnc12	ZINC000003290474	JK	Agent	Mild	 
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)Nc3cc(C)cc(C)c3)c3ccccc3)nnc12	ZINC000003290475	JK	Agent	Mild	 
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)Nc1ccc(Cl)cc1Cl	ZINC000003290854	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(SCc3c(Cl)cccc3Cl)nnc2n1-c1ccccc1	ZINC000003290880	JK	Agent	Anodyne	 
Cc1ccccc1-n1c(SCC(=O)/C(C#N)=C2\Nc3ccccc3S2)nnc1-c1cccnc1	ZINC000003291344	JK	Agent	Reactive	 
Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	ZINC000003292073	JK	Agent	Clean	 
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)Nc1cc(Cl)ccc1Cl	ZINC000003292323	JK	Agent	Anodyne	 
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)nnc12	ZINC000003292382	JK	Agent	Mild	 
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)nnc12	ZINC000003292383	JK	Agent	Mild	 
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccccc3Sc3ccccc3)nnc12	ZINC000003293581	JK	Agent	Mild	 
COc1cccc(/C=C(/C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc2)c1	ZINC000003295569	JK	Agent	Mild	 
O=C(C[C@@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003295830	JK	Agent	Mild	 
O=C(C[C@H]1S/C(=N/c2ccc(SC(F)F)cc2)N(C2CC2)C1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000003295835	JK	Agent	Mild	 
COc1cccc(/C=C(/C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c2ccccc2)c1	ZINC000003295928	JK	Agent	Anodyne	 
CCC[C@@H](CNC(=O)COC(=O)/C=C/c1nc2ccccc2s1)c1ccc(Cl)cc1Cl	ZINC000003297423	JK	Agent	Anodyne	 
CCC[C@H](CNC(=O)COC(=O)/C=C/c1nc2ccccc2s1)c1ccc(Cl)cc1Cl	ZINC000003297427	JK	Agent	Anodyne	 
Cc1ccc(N/C(SCC(=O)N(C)C2CCCCC2)=C(\C#N)c2nc3ccccc3s2)c(C)c1	ZINC000003298111	JK	Agent	Reactive	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000003298265	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	ZINC000003298270	JK	Agent	Anodyne	 
O=C(N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12	ZINC000003298688	JK	Agent	Reactive	 
O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)/C(=C/c1cccs1)c1cccs1	ZINC000003300157	JK	Agent	Anodyne	 
O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)/C(=C\c1cccs1)c1cccs1	ZINC000003300160	JK	Agent	Anodyne	 
C[C@H]1CCc2c(sc3nc(COC(=O)/C(=C/c4cccs4)c4cccs4)[nH]c(=O)c23)C1	ZINC000003300163	JK	Agent	Anodyne	 
C[C@@H]1CCc2c(sc3nc(COC(=O)/C(=C/c4cccs4)c4cccs4)[nH]c(=O)c23)C1	ZINC000003300168	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c(C)n1Cc1cccs1	ZINC000003301294	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)n1Cc1ccccc1Cl	ZINC000003302285	JK	Agent	Anodyne	 
COc1ccccc1N/C(S)=C(/C(=O)c1cc(C)n(-c2ccccc2F)c1C)[n+]1ccccc1	ZINC000003302834	JK	Agent	Mild	 
Cc1cc(C(=O)/C(=C(/S)NCc2ccccc2)[n+]2ccccc2)c(C)n1CCc1ccc(F)cc1	ZINC000003303328	JK	Agent	Mild	 
COc1ccc(CN/C(S)=C(/C(=O)c2cc(C)n(Cc3cccs3)c2C)[n+]2ccccc2)cc1	ZINC000003305181	JK	Agent	Mild	 
Cc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCn2nnc3ccccc3c2=O)cc1	ZINC000003305250	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1nc2c(ccc3ccccc32)s1	ZINC000003305738	JK	Agent	Anodyne	 
N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F	ZINC000003306649	JK	Agent	Reactive	 
N#C/C(=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F	ZINC000003306652	JK	Agent	Reactive	 
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccc(C)cc2)cc1Cl	ZINC000003308297	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Br)ccc1Br	ZINC000003308734	JK	Agent	Reactive	 
CCn1c(-c2ccccc2)c(C(=O)COC(=O)/C=C/c2cccc(Br)c2)c2ccccc21	ZINC000003308967	JK	Agent	Anodyne	 
CSCCCN1C(=O)/C(=C/c2ccc(C)c([N+](=O)[O-])c2)S/C1=N/c1ccc(C(C)(C)C)cc1	ZINC000003309602	JK	Agent	Mild	 
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)c3ccc(C)cc3)c3ccc(C)cc3)nnc12	ZINC000003311315	JK	Agent	Mild	 
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)c3ccc(C)cc3)c3ccc(C)cc3)nnc12	ZINC000003311317	JK	Agent	Mild	 
O=C(/C=C/c1ccccc1[N+](=O)[O-])N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1	ZINC000003311486	JK	Agent	Bother	 
COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	ZINC000003312158	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)N1CCCC1	ZINC000003313329	JK	Agent	Anodyne	 
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)C(O)=N2	ZINC000003317308	JK	Agent	Reactive	 
C[C@H](c1ccccc1)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)/C=C/c1ccccc1	ZINC000003318212	JK	Agent	Anodyne	 
Cc1cccc(N/C(S)=C(/C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccc3ccccc3c2)c1C	ZINC000003321384	JK	Agent	Mild	 
Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)N=C2SCC(=O)N2CCCC2)cc1	ZINC000003321404	JK	Agent	Anodyne	 
COc1ccc(C(=O)/C(=C(/S)Nc2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)cc1OC	ZINC000003322089	JK	Agent	Mild	 
O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc(SC(F)F)cc1	ZINC000003322571	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1ccc(SC(F)F)cc1	ZINC000003322572	JK	Agent	Anodyne	 
COc1ccc2c(-c3ccccc3)cc(SCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)nc2c1	ZINC000003323903	JK	Agent	Mild	 
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1ccccc1	ZINC000003324138	JK	Agent	Reactive	 
COc1ccc2c(c1)CCc1cc(C(=O)Nc3c4ccccc4n4c(C)nc5ccccc5c34)sc1-2	ZINC000003324254	JK	Agent	Bother	 
COc1ccc(CN/C(S)=C(/C(=O)c2ccc(Cl)cc2Cl)[n+]2ccc(N(C)C)cc2)cc1	ZINC000003325433	JK	Agent	Mild	 
CC(C)(C)c1cc[n+](/C(C(=S)NCc2ccco2)=C(/O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000003326119	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	ZINC000003326126	JK	Agent	Mild	 
O=c1c2ccccc2n2c(SCc3cccc(Oc4ccccc4)c3)nnc2n1-c1ccccc1	ZINC000003327166	JK	Agent	Anodyne	 
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000003329093	JK	Agent	Reactive	 
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000003329095	JK	Agent	Reactive	 
COc1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1	ZINC000003329147	JK	Agent	Reactive	 
O=C(O)c1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccnc3)SC2=S)cc1	ZINC000003329583	JK	Agent	Clean	 
O=C(O)c1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccnc3)SC2=S)cc1	ZINC000003329586	JK	Agent	Clean	 
COc1cc(/C=C/C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1OC	ZINC000003331616	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1OC	ZINC000003331620	JK	Agent	Anodyne	 
CCOc1ccc(NC(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1	ZINC000003331729	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)NC(c1ccccc1)c1ccccc1	ZINC000003332031	JK	Agent	Anodyne	 
CC(=O)c1ccc(N(C(=O)/C(=C/c2ccccc2)c2ccccc2)c2nc3ccccc3s2)cc1	ZINC000003333395	JK	Agent	Anodyne	 
C[C@@H]1S/C(=C\c2nc3ccccc3s2)N(CC(=O)c2ccc(Br)cc2)C1=O	ZINC000003335085	JK	Agent	Anodyne	 
C[C@H]1S/C(=C\c2nc3ccccc3s2)N(CC(=O)c2ccc(Br)cc2)C1=O	ZINC000003335089	JK	Agent	Anodyne	 
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)c4cc(Cl)ccc4Cl)nnc23)cc1	ZINC000003336541	JK	Agent	Anodyne	 
CCOc1cccc(-c2nnc(S)n2N=Cc2ccc(-c3ccccc3Br)o2)c1	ZINC000003337184	JK	Agent	Anodyne	 
Cc1cccc(-n2c(=O)c3ccccc3n3c(SCc4ccc(Cl)c(Cl)c4)nnc23)c1	ZINC000003339021	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(OC(F)F)cc1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1	ZINC000003340996	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(OC(F)F)cc1)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1	ZINC000003341000	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C/Nc3ncnc4sc(C)c(C)c34)c3ccccc3C2=O)c(C)c1	ZINC000003342922	JK	Agent	Anodyne	 
O=C1/C(=C\Nc2ccnn2Cc2ccco2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000003342937	JK	Agent	Anodyne	 
C=CCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nnc12	ZINC000003343326	JK	Agent	Mild	 
C=CCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nnc12	ZINC000003343328	JK	Agent	Mild	 
O=C(/C=C/c1ccco1)Oc1ccc(Sc2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1	ZINC000003344078	JK	Agent	Anodyne	 
Cc1c(Cl)cccc1N/C(SCc1ccc(C#N)cc1)=C(/C#N)c1nc2ccccc2s1	ZINC000003344935	JK	Agent	Reactive	 
Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003347808	JK	Agent	Clean	 
Cc1cc(C(=O)[C@H](C)OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003347811	JK	Agent	Clean	 
Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000003351429	JK	Agent	Clean	 
Cc1ccc(N2C(c3ccc(Cl)cc3)=CS/C2=C(\C#N)c2nc3ccccc3s2)cc1	ZINC000003353111	JK	Agent	Reactive	 
CCCCCC1=C(/C=C/c2ccc(C(=O)OC)cc2)C/C(=C/c2ccc(C(=O)OC)cc2)C1=O	ZINC000003353183	JK	Agent	Mild	 
COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC#N	ZINC000003353779	JK	Agent	Mild	 
COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC#N	ZINC000003353782	JK	Agent	Mild	 
COc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1C	ZINC000003354991	JK	Agent	Clean	 
CCN(C(=O)CN(Cc1ccccc1)S(=O)(=O)/C=C/c1ccccc1)c1cccc2ccccc12	ZINC000003355687	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000003357591	JK	Agent	Clean	 
Cc1ccc(C2=CS/C(=C(\C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1	ZINC000003358768	JK	Agent	Reactive	 
CCSc1nnc(NC(=O)/C=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)s1	ZINC000003362673	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc2ccccc12	ZINC000003363700	JK	Agent	Reactive	 
COc1ccccc1/C=C(/C(=O)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccccc1	ZINC000003363740	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C(=C/c1cccs1)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000003363786	JK	Agent	Anodyne	 
C[C@@H](OC(=O)/C(=C/c1cccs1)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000003363795	JK	Agent	Anodyne	 
Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(C(C)(C)C)cc3)nnc12	ZINC000003364833	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21	ZINC000003365542	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21	ZINC000003365547	JK	Agent	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccnn3C3CCCCC3)c3ccccc3C2=O)cc1	ZINC000003371453	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\Nc3ncnc4sc5c(c34)CCCC5)c3ccccc3C2=O)c(C)c1	ZINC000003371634	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\Nc3nc4ccccc4nc3N3CCCC3)c3ccccc3C2=O)c(C)c1	ZINC000003371640	JK	Agent	Anodyne	 
O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003373010	JK	Agent	Mild	 
Sc1nnc(-c2ccc(Cl)cc2Cl)n1N=C/C(Br)=C\c1ccccc1	ZINC000003373932	JK	Agent	Anodyne	 
CCCn1c(=O)c2ccccc2n2c(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nnc12	ZINC000003375295	JK	Agent	Anodyne	 
CCCn1c(=O)c2ccccc2n2c(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nnc12	ZINC000003375297	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21	ZINC000003375644	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)O[C@H](C)C(=O)N1CCCc2ccccc21	ZINC000003375650	JK	Agent	Anodyne	 
O=S(=O)(/N=C(\Sc1nc2ccccc2s1)c1ccccc1)c1ccc(Br)cc1	ZINC000003377142	JK	Agent	Mild	 
COc1ccc(/C=C2/N=C(SCC(=O)c3ccc(Cl)s3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000003378682	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCC(=O)c3ccc(Cl)s3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000003378684	JK	Agent	Anodyne	 
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C	ZINC000003380894	JK	Agent	Reactive	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)cs1	ZINC000003383291	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C/Nc3cc(Cl)ccc3N(C)C)c3ccccc3C2=O)cc1OC	ZINC000003384180	JK	Agent	Anodyne	 
Cc1cccc(N2C(=O)/C(=C\c3cn(CCC#N)nc3-c3ccccc3)c3ccccc3C2=O)c1	ZINC000003398344	JK	Agent	Mild	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1	ZINC000003405061	JK	Agent	Anodyne	 
COc1ccccc1N(C(=O)/C=C/c1ccco1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	ZINC000003405940	JK	Agent	Anodyne	 
COc1ccc(-c2nc(COC(=O)/C=C/c3c(C)nn(-c4ccccc4)c3C)cs2)cc1OC	ZINC000003407669	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCc1nc2ccccc2s1	ZINC000003409436	JK	Agent	Anodyne	 
O=C(CN(Cc1ccccc1Cl)S(=O)(=O)/C=C/c1ccccc1)Nc1ccc(F)cc1Cl	ZINC000003409870	JK	Agent	Anodyne	 
O=C1/C(=C/Nc2ccc(Nc3ccccc3)cc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1	ZINC000003410676	JK	Agent	Clean	 
CN1/C(=C/C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)C(C)(C)c2ccccc21	ZINC000003410962	JK	Agent	Mild	 
Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C/c2c(C)nn(-c3ccccc3)c2C)cs1	ZINC000003414364	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\Nc3nc4c(s3)COc3ccccc3-4)c3ccccc3C2=O)cc1	ZINC000003414658	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\Nc3nc4c(s3)COc3ccccc3-4)c3ccccc3C2=O)c(C)c1	ZINC000003416603	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)c(C)n1CC(F)(F)F	ZINC000003416951	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C/Nc3nc(-c4ccc(Cl)cc4)cs3)c3ccccc3C2=O)cc1C	ZINC000003419231	JK	Agent	Anodyne	 
O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)N(Cc1ccco1)Cc1cccs1	ZINC000003420822	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(c2cc(C)cc(C)c2)c2nc3ccccc3s2)cc(OC)c1OC	ZINC000003423154	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\N3CCC(c4nc5ccccc5s4)CC3)c3ccccc3C2=O)cc1	ZINC000003425146	JK	Agent	Anodyne	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N(CCc1ccccc1)Cc1ccccc1	ZINC000003430492	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)ccc1OCC#N	ZINC000003431124	JK	Agent	Mild	 
CC(C)(C)c1cc(C=NNC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc(C(C)(C)C)c1O	ZINC000003433041	JK	Agent	Anodyne	 
CCCn1c(=O)c2ccccc2n2c(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nnc12	ZINC000003439821	JK	Agent	Anodyne	 
CCCn1c(=O)c2ccccc2n2c(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)nnc12	ZINC000003439824	JK	Agent	Anodyne	 
Cc1cc(C(C)(C)C)ccc1OC(=O)/C=C/c1c(C)nn(Cc2ccc(Cl)cc2)c1Cl	ZINC000003448105	JK	Agent	Anodyne	 
Cc1cc(C(C)(C)C)cc(C)c1COC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C	ZINC000003449383	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(CC(F)(F)F)c1C	ZINC000003450322	JK	Agent	Anodyne	 
O=C(/C=C/c1cc(Br)ccc1OC(F)F)Nc1nc(-c2ccc(Cl)s2)cs1	ZINC000003454361	JK	Agent	Anodyne	 
COc1ccccc1-c1nc(COC(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)cs1	ZINC000003458192	JK	Agent	Anodyne	 
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4s3)nnc12	ZINC000003473341	JK	Agent	Anodyne	 
COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)c(C)cc3C)nnc12	ZINC000003473345	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)N2CCCC[C@@H]2C)cc1Cl	ZINC000003490455	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)N2CCCC[C@H]2C)cc1Cl	ZINC000003490460	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)N(C(C)C)C(C)C)cc1Cl	ZINC000003490646	JK	Agent	Anodyne	 
COc1ccc(/C=C2/N=C(SCc3nnc(-c4ccccc4)o3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000003550175	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCc3nnc(-c4ccccc4)o3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000003550178	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCC(=O)N2CCCCCC2)cc1Cl	ZINC000003563684	JK	Agent	Anodyne	 
CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(C(C)C)C(C)C)nnc23)cc1	ZINC000003565238	JK	Agent	Anodyne	 
CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)N(C(C)C)C(C)C)nnc23)cc1	ZINC000003565241	JK	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(Sc4ncnc5sc(C)c(C)c45)nnc23)cc1	ZINC000003568115	JK	Agent	Anodyne	 
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	ZINC000003582579	JK	Agent	Reactive	aggregator
FC(F)(F)c1ccc(-c2noc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)n2)cc1	ZINC000003583595	JK	Agent	Anodyne	 
N#C/C(=C\c1cccc2ccccc12)S(=O)(=O)c1cc(Br)ccc1Br	ZINC000003588756	JK	Agent	Reactive	 
CSc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1	ZINC000003588783	JK	Agent	Reactive	 
CCc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1	ZINC000003588786	JK	Agent	Reactive	 
N=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(OC(F)(F)F)cc1	ZINC000003619478	JK	Agent	Anodyne	 
N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1	ZINC000003663040	JK	Agent	Reactive	 
N#CC1=C(N)OC2=C(CCC/C2=C/c2cccc(Br)c2)[C@H]1c1cccc(Br)c1	ZINC000003663042	JK	Agent	Reactive	 
CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3OS(=O)(=O)c3ccccc3)C(=O)O2)cc1	ZINC000003663858	JK	Agent	Anodyne	 
CN(C)c1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)SC2=O)cc1	ZINC000003664656	JK	Agent	Mild	 
O=C1SC(c2cc(I)ccc2Cl)=N/C1=C\c1cccc(Cl)c1	ZINC000003666712	JK	Agent	Mild	 
CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1	ZINC000003961851	JK	Agent	Anodyne	 
CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccc(Br)o4)n(C)n3)n2)cc1	ZINC000035683037	JK	Agent	Anodyne	 
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN21	ZINC000036019109	JK	Agent	Mild	 
CC(=NNC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1	ZINC000004156064	JK	Agent	Anodyne	 
[N-]=[N+]=NC[C@H]1O[C@H](OC(=O)c2ccc(Cl)cc2)C[C@H](N=[N+]=[N-])[C@@H]1OC(=O)c1ccc(Cl)cc1	ZINC000004277015	JK	Agent	Clean	 
[N-]=[N+]=NC[C@H]1O[C@@H](OC(=O)c2ccc(Cl)cc2)C[C@H](N=[N+]=[N-])[C@@H]1OC(=O)c1ccc(Cl)cc1	ZINC000004277016	JK	Agent	Clean	 
NC(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=N/OC(=O)NC(Cl)=C(Cl)Cl	ZINC000004277455	JK	Agent	Mild	 
FC(F)(F)c1cc(Cl)c(/C=N\Cc2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1	ZINC000004289170	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21	ZINC000004461915	JK	Agent	Anodyne	 
Cc1cc(C(=O)COC(=O)/C(=C\c2cccs2)c2cccs2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000004468155	JK	Agent	Clean	 
Cl/C=C\CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1	ZINC000004468300	JK	Agent	Anodyne	 
O=P(/C=C(/Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(F)cc1F	ZINC000004481538	JK	Agent	Anodyne	 
O=P(/C=C(/Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc2ccccc2c1	ZINC000004482236	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)NC(c1ccccc1)c1ccccc1	ZINC000004486283	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)c1ccc(C(C)(C)C)cc1	ZINC000004507347	JK	Agent	Anodyne	 
Cc1cc2oc(=O)cc(COC(=O)/C(C#N)=C\c3cc(C)n(CC(C)C)c3C)c2cc1Cl	ZINC000004507841	JK	Agent	Reactive	 
Brc1cc2c(c(CSC/C=C\c3ccccc3)c1)O[C@@H](c1ccccc1)OC2	ZINC000004507903	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(C(=O)N(Cc2ccco2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1	ZINC000000709053	JK	Agent	Anodyne	 
COc1ccc(C(=O)C[C@H](Sc2ccccc2NC(C)=O)c2cccc(Br)c2)cc1	ZINC000000947102	JK	Agent	Anodyne	 
COc1ccc(C(=O)C[C@@H](Sc2ccccc2NC(C)=O)c2cccc(Br)c2)cc1	ZINC000000947103	JK	Agent	Anodyne	 
Cn1c(/N=C/c2c(O)ccc3cc(Br)ccc23)nc2ccc(Br)cc21	ZINC000000972458	JK	Agent	Mild	 
Cc1ccc(Sc2cc(Oc3ccc(C(=O)NCc4ccco4)cc3)cc([N+](=O)[O-])c2)cc1	ZINC000000993665	JK	Agent	Bother	 
COc1cc(CN/C(C)=C/c2nsc(Nc3ccc(Cl)cc3Cl)n2)cc(OC)c1OC	ZINC000005909394	JK	Agent	Anodyne	
COc1ccc(Cl)c(NC(=S)N(Cc2ccc(N(C)C)cc2)C2CC(C)(C)NC(C)(C)C2)c1	ZINC000005945262	JK	Agent	Clean	
CC1(C)CC(N(Cc2cccnc2)C(=S)Nc2ccc(Cl)cc2Cl)CC(C)(C)N1	ZINC000005945369	JK	Agent	Anodyne	
CC1(C)CC(N(Cc2ccncc2)C(=S)Nc2cc(C(F)(F)F)ccc2Cl)CC(C)(C)N1	ZINC000005945400	JK	Agent	Anodyne	
CCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](F)CC(F)(F)F	ZINC000575444410	JK	Agent	Reactive	 
CCC[Si](OC)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](F)CC(F)(F)F	ZINC000575444411	JK	Agent	Reactive	 
O=Cc1ccc(OCc2ccccc2Br)cc1OCc1ccccc1Br	ZINC000058961103	JK	Agent	Anodyne	
CCOc1ccc(OCC)c(CCN/C(C)=C/N=C2/N=C(Nc3cc(Cl)ccc3Cl)S2)c1	ZINC000058976247	JK	Agent	Mild	
CCOc1ccc(CCN/C(C)=C/N=C2/N=C(Nc3ccc(Cl)cc3Cl)S2)c(OCC)c1	ZINC000058976290	JK	Agent	Mild	
CCOc1ccc(CCN/C(C)=C\N=C2\N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1OCC	ZINC000058976312	JK	Agent	Mild	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000058978578	JK	Agent	Reactive	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(OC)cc3)o2)s1	ZINC000058978652	JK	Agent	Reactive	
CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(COc3cccc(Cl)c3)o2)s1	ZINC000058978655	JK	Agent	Reactive	
CCOc1ccc(CCN/C(C)=C/N=C2/N=C(Nc3cc(Cl)ccc3Cl)S2)cc1OCC	ZINC000058978849	JK	Agent	Mild	
O=c1c2ccccc2nc(S)n1N=Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1	ZINC000585657620	JK	Agent	Mild	
O=S(=O)(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1	ZINC000006144556	JK	Agent	Anodyne	 
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C=C(/C)CCC=C(C)C)cc2)cc1	ZINC000006146231	JK	Agent	Reactive	 
Brc1cccc(/N=c2/oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)c1	ZINC000006147405	JK	Agent	Bother	 
CCN=c1scc(-c2cccc(Br)c2)n1N=Cc1ccccc1C(F)(F)F	ZINC000006171766	JK	Agent	Anodyne	 
CCN1C(=O)/C(=C\c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)SC1=S	ZINC000006178530	JK	Agent	Clean	 
CCn1c2ccccc2c2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=N)NC3=O)ccc21	ZINC000006180310	JK	Agent	Anodyne	 
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)/C=C3/N(C)c4ccccc4C3(C)C)c2)c(C)c1	ZINC000006183753	JK	Agent	Mild	 
O=S(=O)(/N=C(/Nc1ccc(SC(F)F)cc1)c1ccccc1Cl)c1cccs1	ZINC000006189794	JK	Agent	Mild	 
Cc1ccc(C)c(S(=O)(=O)NN=Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2)c1	ZINC000006192416	JK	Agent	Anodyne	 
COC(=O)[C@@]1(C#N)[C@H](c2ccc(C)cc2C)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21	ZINC000006195528	JK	Agent	Mild	 
COC(=O)[C@@]1(C#N)[C@H](c2ccc(C)cc2C)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21	ZINC000006195529	JK	Agent	Mild	 
CCOC(=O)Cc1csc(NC(=O)/C(=C\c2cccs2)c2ccc(-c3ccccc3)cc2)n1	ZINC000006228012	JK	Agent	Anodyne	 
CCOc1ccc(N2C(=O)/C(=C/Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3C2=O)cc1	ZINC000006270311	JK	Agent	Mild	 
CCOc1ccc(N2C(=O)/C(=C/Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3C2=O)cc1	ZINC000006270312	JK	Agent	Mild	 
CCc1ccc(-c2cc(C(=O)Nc3ccn(Cc4ccccc4F)n3)c3cc(Cl)ccc3n2)s1	ZINC000006284320	JK	Agent	Anodyne	 
C[C@@H]1C/C(=N\Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])CC(C)(C)C1	ZINC000006298886	JK	Agent	Mild	 
N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12	ZINC000006457499	JK	Agent	Clean	 
O=[N+]([O-])c1ccc(-n2cccc2/C=N/Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	ZINC000008384859	JK	Agent	Mild	 
COc1ccc(Br)cc1/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000008384863	JK	Agent	Mild	 
CN(C)c1ccc(-c2cc(-c3ccc(/N=C/c4ccccc4)cc3)c3c(ccc4ccccc43)n2)cc1	ZINC000008386246	JK	Agent	Mild	 
CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(Br)cc(C)cc1Br	ZINC000008386818	JK	Agent	Reactive	 
C/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1c(F)c(F)c(F)c(F)c1F	ZINC000008398834	JK	Agent	Mild	 
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1NN=Cc1cc2c(cc1Br)OCO2	ZINC000008404479	JK	Agent	Anodyne	 
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	ZINC000008406839	JK	Agent	Clean	 
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	ZINC000008406846	JK	Agent	Clean	 
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	ZINC000008406850	JK	Agent	Clean	 
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	ZINC000008406855	JK	Agent	Clean	 
CCCCCCCCCCCCOc1nc(Cl)nc(OCCCCCCCCCCCC)n1	ZINC000082124029	JK	Agent	Mild	
O=[N+]([O-])c1ccc(NN=C2/C(=C/c3cccc4ccccc34)CCc3ccccc32)c([N+](=O)[O-])c1	ZINC000008642220	JK	Agent	Anodyne	 
CC(C)(C)c1ccc(Nc2nc(SCc3ccccc3)nc(-c3cccnc3)c2C#N)cc1	ZINC000008649510	JK	Agent	Mild	 
FC(F)(F)/C(=N/C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)Oc1cccc2cccnc12	ZINC000008655042	JK	Agent	Mild	 
Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C(C)(C)C1	ZINC000008670525	JK	Agent	Mild	aggregator
NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)cc1	ZINC000008685224	JK	Agent	Anodyne	aggregator
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(SC(F)F)cc3)o2)n(-c2ccccc2)n1	ZINC000008692044	JK	Agent	Reactive	 
COc1cc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)ccc1OCc1csc(C)n1	ZINC000008704687	JK	Agent	Anodyne	 
CCOc1cc(/C=C/c2nc3ccccc3s2)cc(Br)c1OCC(=O)N(C)C	ZINC000008704688	JK	Agent	Anodyne	 
COc1cc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2C2CCCCC2)cc(OC)c1OC	ZINC000008704703	JK	Agent	Bother	 
Cn1c(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)nnc1C1CC1	ZINC000008705429	JK	Agent	Anodyne	 
Cn1c(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)nnc1C1CC1	ZINC000008705430	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)cs1	ZINC000008726811	JK	Agent	Anodyne	 
O=C(CSC1=NN/C(=C2\C=Nc3ccccc32)N1C1CC1)N(Cc1ccco1)C1=CCCCC1	ZINC000008745915	JK	Agent	Anodyne	 
C[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl	ZINC000008752140	JK	Agent	Clean	 
C[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl	ZINC000008752147	JK	Agent	Clean	 
Cc1cccc(-n2c(S)nnc2CCCCc2nnc(S)n2-c2cccc(C)c2C)c1C	ZINC000008767160	JK	Agent	Anodyne	 
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1	ZINC000008773814	JK	Agent	Anodyne	 
COC(=O)[C@@]1(C#N)[C@@H](c2ccc(C)cc2C)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]21	ZINC000008781180	JK	Agent	Mild	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)N2CCc3ccccc32)cc1Cl	ZINC000008824180	JK	Agent	Anodyne	 
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	ZINC000008824797	JK	Agent	Reactive	 
CCc1ccc(/C=C/c2sc3cc(OC)c4ccsc4c3[n+]2CCCS(=O)(=O)O)cc1	ZINC000008825481	JK	Agent	Anodyne	 
Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-]	ZINC000008826049	JK	Agent	Reactive	 
COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)cc12	ZINC000008859968	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/C(=O)N(C)Cc2ccccc2N2CCCCC2)cs1)c1ccccc1F	ZINC000008862059	JK	Agent	Anodyne	 
COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C/C(=O)N(C)Cc1ccc2c(c1)OCO2	ZINC000008862402	JK	Agent	Anodyne	 
O=S(=O)(Nc1cc(SCc2ccco2)c(O)c2ccccc12)c1cccc2ccccc12	ZINC000008870788	JK	Agent	Clean	 
COc1cc2c(cc1/C=C/C(=O)N(Cc1ccc(OC)c(OC)c1)Cc1cccs1)O[C@H](C)C2	ZINC000008880166	JK	Agent	Anodyne	 
COc1cc2c(cc1/C=C/C(=O)N(Cc1ccc(OC)c(OC)c1)Cc1cccs1)O[C@@H](C)C2	ZINC000008880170	JK	Agent	Anodyne	 
O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)/C(=C/c1cccs1)c1cccs1	ZINC000008880598	JK	Agent	Anodyne	 
Cn1cnnc1SCC(=O)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000008896546	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C	ZINC000008898063	JK	Agent	Anodyne	 
Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4nncs4)c3C#N)C(C)(C)C2)o1	ZINC000008898499	JK	Agent	Mild	 
Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C(C)(C)C1	ZINC000008899051	JK	Agent	Mild	 
CC1=NN2C(=N)/C(=C/c3cn(CCCOc4cccc(C)c4C)c4ccccc34)C(=O)N=C2S1	ZINC000008916746	JK	Agent	Clean	 
CCOc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1CCCCC1	ZINC000008941638	JK	Agent	Anodyne	 
Cc1cc(C)c(S(=O)(=O)Nc2cc(Br)c3oc4c(c3c2)C(=O)CCC4)cc1C	ZINC000008974132	JK	Agent	Anodyne	 
COc1cccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)c1	ZINC000008984321	JK	Agent	Clean	 
COc1cc(Br)cc(/C=N/c2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1O	ZINC000008984348	JK	Agent	Mild	 
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	ZINC000008984514	JK	Agent	Clean	 
COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1COc1c(Cl)cc(Cl)cc1Cl	ZINC000008984749	JK	Agent	Mild	 
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccccc1Cl	ZINC000008984798	JK	Agent	Reactive	 
Cc1ccc(OCCOc2ccc(Cl)c(C)c2)c(/C=c2\sc3nc4ccccc4n3c2=O)c1	ZINC000008985316	JK	Agent	Anodyne	 
CCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	ZINC000008986066	JK	Agent	Clean	 
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008986534	JK	Agent	Mild	 
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000008986535	JK	Agent	Mild	 
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008986538	JK	Agent	Mild	 
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000008986539	JK	Agent	Mild	 
Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Sc3nc4ccccc4s3)=C2)cc1C	ZINC000009030589	JK	Agent	Mild	 
O=C1C(Sc2nc3ccccc3s2)=C/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21	ZINC000009030597	JK	Agent	Mild	 
CC[C@H](C1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1)c1ccccc1	ZINC000009057237	JK	Agent	Clean	 
CC[C@@H](C1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1)c1ccccc1	ZINC000009057238	JK	Agent	Clean	 
CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1	ZINC000009057241	JK	Agent	Clean	 
CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1	ZINC000009057242	JK	Agent	Clean	 
COc1ccc(/C=C(/C(=O)c2ccc(Br)cc2)N2C=CC=CC2=C(C#N)C#N)cc1	ZINC000009086649	JK	Agent	Reactive	 
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Br)s1	ZINC000009086861	JK	Agent	Reactive	 
CCn1c2ccccc2c2cc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)ccc21	ZINC000009090366	JK	Agent	Reactive	 
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	ZINC000009090403	JK	Agent	Reactive	 
N#C/C(=C\c1ccc(OC(=O)c2cc3ccccc3nc2Cl)cc1)c1nc2ccccc2[nH]1	ZINC000009090423	JK	Agent	Reactive	 
Cc1cc(C)c2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1	ZINC000009090432	JK	Agent	Reactive	 
COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1	ZINC000009090434	JK	Agent	Reactive	 
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1cccc2ccccc12	ZINC000009090506	JK	Agent	Reactive	 
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	ZINC000009090512	JK	Agent	Reactive	 
CSc1nc(C)c(-c2csc(/C(C#N)=C/c3ccc(Br)cc3)n2)cc1C#N	ZINC000009090720	JK	Agent	Reactive	 
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1	ZINC000009090866	JK	Agent	Reactive	 
O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)N1CCN(c2ccccn2)CC1	ZINC000009116028	JK	Agent	Anodyne	 
COc1cc2c(cc1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1)oc1ccccc12	ZINC000009120340	JK	Agent	Anodyne	 
O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000009125421	JK	Agent	Anodyne	 
O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000009125423	JK	Agent	Anodyne	 
CC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)cc1	ZINC000009126009	JK	Agent	Anodyne	 
O=C(OCc1cc(=O)n2ccsc2n1)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2	ZINC000009126268	JK	Agent	Anodyne	 
Cc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)c4c[nH]c5ccccc45)nnc23)c(C)c1	ZINC000009127096	JK	Agent	Anodyne	 
CC(C)c1ccccc1-n1c(=O)c2ccccc2n2c(SCC(=O)c3c[nH]c4ccccc34)nnc12	ZINC000009127142	JK	Agent	Anodyne	 
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(NC2=NCCCS2)cc1	ZINC000009127194	JK	Agent	Mild	 
CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)cc1	ZINC000009128720	JK	Agent	Mild	 
O=C(/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1nc2ccccc2[nH]1)N1CCOCC1	ZINC000009129785	JK	Agent	Anodyne	 
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1	ZINC000009137598	JK	Agent	Reactive	 
COc1ccc(/C=C2\N=C(SCc3cn4ccsc4n3)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000009141619	JK	Agent	Anodyne	 
CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(/C=C/c2ccc(OC)cc2)noc1C	ZINC000009157167	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)NCc1ccc(Cl)cc1	ZINC000009169879	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2ccccc2N2CCCCC2)cs1	ZINC000009207604	JK	Agent	Anodyne	 
N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc(Br)cc2)c(-c2cccc(Cl)c2)n1	ZINC000009217207	JK	Agent	Reactive	 
CS/C(=C\c1cc(Cl)c2c(c1)OCO2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1	ZINC000009218952	JK	Agent	Anodyne	 
COc1ccc(/C=C/c2noc(C)c2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000009220084	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCC(=O)c3ccc(Cl)cc3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000009223357	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N2CCCSc3ccccc32)ccc1OCc1c(C)noc1C	ZINC000009223971	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccs2)CC3)cc1	ZINC000009244575	JK	Agent	Anodyne	 
CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	ZINC000009245496	JK	Agent	Anodyne	 
Cc1cc(C)n2c(CNc3nc(/C=C/c4ccccc4)nc4sc5c(c34)CCCC5)nnc2n1	ZINC000009253330	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cs1	ZINC000009253838	JK	Agent	Anodyne	 
CCOc1cc(/C=C/c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000009254781	JK	Agent	Mild	 
O=C(/C=C/c1ccc(-c2ccccc2F)o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000009255048	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)N2CCCCCC2)cc1Cl	ZINC000009283319	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC(=O)Nc2ccccc2C)cc1Cl	ZINC000009283521	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccco2)o1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000009284180	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccco2)o1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000009284182	JK	Agent	Anodyne	 
O=C(CSc1nncn1-c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000009285770	JK	Agent	Anodyne	 
O=C(CSc1nncn1-c1ccccc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000009285771	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cs1	ZINC000009313657	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cs1	ZINC000009313658	JK	Agent	Anodyne	 
N#C/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nnc2n1CCCCC2	ZINC000009335181	JK	Agent	Reactive	 
COc1ccc(-c2oc(/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000009335241	JK	Agent	Mild	 
CCCCN(C(=O)CSc1nnc2n(-c3cc(C)cc(C)c3)c(=O)c3ccccc3n12)[C@@H](C)CC	ZINC000009336241	JK	Agent	Anodyne	 
CCCCN(C(=O)CSc1nnc2n(-c3cc(C)cc(C)c3)c(=O)c3ccccc3n12)[C@H](C)CC	ZINC000009336242	JK	Agent	Anodyne	 
N#CC(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)=C1Nc2ccccc2N1	ZINC000009349138	JK	Agent	Reactive	 
O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1ccc(-c2ccccc2)cc1	ZINC000009371514	JK	Agent	Anodyne	 
O=C(COc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1	ZINC000009371515	JK	Agent	Anodyne	 
O=[N+]([O-])c1ccc(N/N=C/c2c(Cl)cccc2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000009373160	JK	Agent	Mild	 
O=[N+]([O-])c1ccc(N/N=C/c2c(F)cccc2Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1	ZINC000009373193	JK	Agent	Mild	 
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	ZINC000009373358	JK	Agent	Reactive	 
Cc1cc(N/C(S)=C(/C(=O)c2ccc(Cl)cc2)[n+]2ccc(C(C)(C)C)cc2)ccc1Cl	ZINC000009373449	JK	Agent	Mild	 
CCS(=O)(=O)c1ccc2oc(/C=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)nc2c1	ZINC000009376247	JK	Agent	Bother	 
CN(Cc1nc2ccccc2s1)C(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000009376760	JK	Agent	Anodyne	 
Cc1cc(/C=C(\C#N)C(=O)OCc2nccn2C(F)F)c(C)n1-c1ccc(Br)cc1	ZINC000009378086	JK	Agent	Reactive	 
O=C(/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ncc[nH]1)c1ccccc1	ZINC000009378399	JK	Agent	Mild	 
Cc1sc2nc(/C(=C\c3ccc(-c4ccccc4)s3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000009386076	JK	Agent	Anodyne	 
COc1cc(-c2nnc(S/C(=C\C#N)c3ccc(F)cc3)n2C2CCCCC2)cc(OC)c1OC	ZINC000009387461	JK	Agent	Reactive	 
COc1cc(/C=C2\CS(=O)(=O)c3ccc(F)cc3C2=O)ccc1OCc1ccccc1Cl	ZINC000009392835	JK	Agent	Mild	 
Cc1c(Cl)cccc1N/C(S)=C(/C(=O)c1cc(Cl)ccc1Cl)[n+]1ccccc1	ZINC000009403310	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc2c(c1)OCCO2	ZINC000009403321	JK	Agent	Mild	 
Cc1cc(C)c(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)cc1C	ZINC000009403328	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1cc(Cl)ccc1Cl	ZINC000009403912	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1	ZINC000009403913	JK	Agent	Mild	 
O=C1NN(C(=O)COc2ccc(Cl)cc2Cl)C(c2ccc(Br)cc2)=CS1	ZINC000009404787	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)c1	ZINC000009417416	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)c1	ZINC000009417419	JK	Agent	Anodyne	 
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1	ZINC000009425352	JK	Agent	Anodyne	 
CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1cccc(OC(=O)c3ccccc3Cl)c1)CO2	ZINC000009434896	JK	Agent	Reactive	 
C[C@H](/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S1)c1ccccc1	ZINC000009438793	JK	Agent	Mild	 
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1N1CCCC1	ZINC000009438812	JK	Agent	Reactive	 
CCOc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(Br)c1O	ZINC000009441395	JK	Agent	Reactive	 
CCOc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(Br)c1O	ZINC000009441397	JK	Agent	Reactive	 
COc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	ZINC000009441896	JK	Agent	Anodyne	 
CCCCCn1c(=O)c2ccccc2n2c(COc3ncnc4scc(-c5ccccc5)c34)nnc12	ZINC000009441952	JK	Agent	Anodyne	 
COc1ccc(C(C)=O)cc1CSc1nnc2n(-c3c(C)cccc3C)c(=O)c3ccccc3n12	ZINC000009442145	JK	Agent	Anodyne	 
CC(C)c1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	ZINC000009442844	JK	Agent	Reactive	 
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1	ZINC000009443476	JK	Agent	Reactive	 
O=C(N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccc(CSc2ccc(Cl)cc2)cc1	ZINC000009444000	JK	Agent	Reactive	 
CCOc1ccc(N/C(S)=C(/C(=O)c2ccc(Cl)s2)[n+]2ccc(C(C)(C)C)cc2)cc1	ZINC000009444887	JK	Agent	Mild	 
O=C(OCc1nc(-c2cccnc2)no1)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2	ZINC000009456653	JK	Agent	Anodyne	 
COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(Cl)s3)nnc12	ZINC000009467394	JK	Agent	Anodyne	 
CC[C@H]1CS/C(=N/c2ccc(Cl)c(Cl)c2)N1C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C	ZINC000009487250	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1cccc(C(F)(F)F)c1)[n+]1cccc(CO)c1)c1ccc(OC(F)F)cc1	ZINC000009491673	JK	Agent	Mild	 
CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000009492070	JK	Agent	Mild	 
COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1F	ZINC000009492071	JK	Agent	Anodyne	 
Cc1[nH]c(SCc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)nc1Cc1ccccc1	ZINC000009492545	JK	Agent	Anodyne	 
COc1ccc(-c2csc3nc(/C=C/c4cccc(C(F)(F)F)c4)[nH]c(=O)c23)cc1OC	ZINC000009492881	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cs1	ZINC000009493270	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cs1	ZINC000009493271	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)N3CCCCC3)c3ccccc3C2=O)cc1	ZINC000009493354	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)N3CCCCC3)c3ccccc3C2=O)c(C)c1	ZINC000009493364	JK	Agent	Anodyne	 
COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OCC(=O)Nc1ccccc1F	ZINC000009493706	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)c4cc(C)c(C)c(C)c4C)nnc23)c1	ZINC000009495016	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4cccc(Cl)c4)nnc23)c1	ZINC000009495033	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)c4cccc(Cl)c4)nnc23)c1	ZINC000009495035	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc23)c1	ZINC000009495245	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4ccc(C)c(C)c4)nnc23)c1	ZINC000009495248	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)c4cc(C)c(C)cc4C)nnc23)c1	ZINC000009495303	JK	Agent	Anodyne	 
COc1cccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4cc(C)c(C)cc4C)nnc23)c1	ZINC000009495306	JK	Agent	Anodyne	 
COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)c4ccc(C)c(C)c4)nnc23)cc1	ZINC000009496173	JK	Agent	Anodyne	 
COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4ccc(C)c(C)c4)nnc23)cc1	ZINC000009496176	JK	Agent	Anodyne	 
COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C(=O)c4cc(C)c(C)cc4C)nnc23)cc1	ZINC000009496225	JK	Agent	Anodyne	 
COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4cc(C)c(C)cc4C)nnc23)cc1	ZINC000009496227	JK	Agent	Anodyne	 
Cc1ccc(C(=O)[C@@H](C)Sc2nnc3n(-c4ccc(C)cc4)c(=O)c4ccccc4n23)cc1	ZINC000009499147	JK	Agent	Anodyne	 
Cc1ccc(C(=O)[C@H](C)Sc2nnc3n(-c4ccc(C)cc4)c(=O)c4ccccc4n23)cc1	ZINC000009499152	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OCc1c(C)noc1C	ZINC000009499771	JK	Agent	Anodyne	 
COc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OCc1c(C)noc1C	ZINC000009499776	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1)c1ccccc1F	ZINC000009503736	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1)c1ccccc1F	ZINC000009503740	JK	Agent	Anodyne	 
CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000009506894	JK	Agent	Bother	 
COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)Nc1ccccc1Cl	ZINC000009507306	JK	Agent	Bother	 
Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)C45CC6CC(CC(C6)C4)C5)nnc23)c1	ZINC000009512106	JK	Agent	Anodyne	 
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(/N=C4\NCCCS4)cc3)cc2[N+](=O)[O-])cc1	ZINC000009512362	JK	Agent	Mild	 
COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3F)n2)c1	ZINC000009513422	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3F)n2)c1	ZINC000009513423	JK	Agent	Anodyne	 
C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2)C(=O)Nc1ncccn1	ZINC000009515844	JK	Agent	Anodyne	 
C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(F)cc1)CCC2)C(=O)Nc1ncccn1	ZINC000009515847	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1c(Cl)cccc1Cl	ZINC000009536342	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)Nc1c(Cl)cccc1Cl	ZINC000009536347	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1OC	ZINC000009539667	JK	Agent	Reactive	 
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	ZINC000009540367	JK	Agent	Reactive	 
Cc1ccc(-n2c(C)cc(C(=O)/C(=C(/S)Nc3ccc(F)c(Cl)c3)[n+]3ccccc3)c2C)cc1	ZINC000009540663	JK	Agent	Mild	 
COc1cccc(N(C(=O)/C=C/c2ccc(OCC#N)c(OC)c2)c2nc3ccccc3s2)c1	ZINC000009544663	JK	Agent	Mild	 
COc1cc(/C=C(\SC)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc2c1OCO2	ZINC000009544850	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000009544851	JK	Agent	Anodyne	 
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)n1-c1ccccc1	ZINC000009545362	JK	Agent	Anodyne	 
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)n1-c1ccccc1	ZINC000009545364	JK	Agent	Anodyne	 
CCc1ccc(NC(=O)[C@@H](C)Sc2nnc3n(-c4cc(C)ccc4C)c(=O)c4ccccc4n23)cc1	ZINC000009558606	JK	Agent	Anodyne	 
CCc1ccc(NC(=O)[C@H](C)Sc2nnc3n(-c4cc(C)ccc4C)c(=O)c4ccccc4n23)cc1	ZINC000009558607	JK	Agent	Anodyne	 
CCC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1[N+](=O)[O-]	ZINC000009561890	JK	Agent	Mild	 
CCC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1[N+](=O)[O-]	ZINC000009561891	JK	Agent	Mild	 
CCC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1[N+](=O)[O-]	ZINC000009561892	JK	Agent	Mild	 
CCC[C@H](C)N1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1[N+](=O)[O-]	ZINC000009561893	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(OC(F)F)cc2)[n+]2ccccc2)cc1	ZINC000009561904	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)/C(=C(/S)Nc2ccc(SC(F)F)cc2)[n+]2ccccc2)cc1	ZINC000009561905	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1cccc2ccccc12)[n+]1ccccc1)c1ccc(Cl)cc1Cl	ZINC000009561948	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1ccc(OC(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)c(Cl)c1	ZINC000009561951	JK	Agent	Mild	 
O=C(O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nnc(-c2ccccc2Cl)o1	ZINC000009562217	JK	Agent	Bother	 
COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(NC3=NCCCS3)cc2)cc1	ZINC000009562769	JK	Agent	Mild	 
O=C(/C(=C(\S)Nc1ccc(SC(F)F)cc1)[n+]1ccccc1)c1ccc(Cl)cc1Cl	ZINC000009562906	JK	Agent	Mild	 
CCC1(CC)NC(=O)N(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1=O	ZINC000009578505	JK	Agent	Anodyne	 
CCC1(CC)NC(=O)N(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1=O	ZINC000009578506	JK	Agent	Anodyne	 
Cc1cc(/C=C(/C(=O)N2CCCC2)c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc(C)c1O	ZINC000009578631	JK	Agent	Anodyne	 
N#C/C(C(=O)N1CCCC1)=C(/Nc1ccc(Cl)cc1)SCC(=O)Nc1ccc2ccccc2c1	ZINC000009579727	JK	Agent	Reactive	 
Nc1nnc(SCC(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)s1	ZINC000009580739	JK	Agent	Anodyne	 
CCc1oc2ccccc2c1CN(C)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1	ZINC000009582333	JK	Agent	Anodyne	 
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)OCc1nnc(-c2cccs2)o1	ZINC000009584215	JK	Agent	Anodyne	 
CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000009585745	JK	Agent	Mild	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1	ZINC000009587423	JK	Agent	Anodyne	 
CCOc1cc(/C=C/C(=O)OCc2nnc(-c3ccccc3Br)o2)cc(Cl)c1OC	ZINC000009587855	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCc3nc4ccccc4s3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000009589085	JK	Agent	Anodyne	 
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)Nc1cc(Cl)cc(Cl)c1	ZINC000009597069	JK	Agent	Anodyne	 
O=C(O)CC/C(=C\c1cc(Br)c(O)c(Br)c1)c1nc2ccccc2s1	ZINC000009612969	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1Cl	ZINC000009613205	JK	Agent	Anodyne	 
Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)nc2ccccc21	ZINC000009613428	JK	Agent	Reactive	 
Cn1ccnc1Sc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1[N+](=O)[O-]	ZINC000009613461	JK	Agent	Bother	 
CCc1cccc(CC)c1N/C(S)=C(/C(=O)c1ccc(Br)cc1)[n+]1ccccc1	ZINC000009630593	JK	Agent	Mild	 
Cc1cc(C(=O)/C(=C(/S)Nc2ccc(F)cc2)[n+]2ccccc2)c(C)n1Cc1ccccc1Cl	ZINC000009630625	JK	Agent	Mild	 
O=C(CSC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F)N1CCCC1	ZINC000009631033	JK	Agent	Anodyne	 
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)N=C2SCC(=O)N2CCCC2)cc1	ZINC000009631092	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)Nc2ccccc2F)cc1Cl	ZINC000009631438	JK	Agent	Anodyne	 
Cn1ccnc1Sc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000009631511	JK	Agent	Bother	 
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1cc(F)ccc1F	ZINC000009632232	JK	Agent	Anodyne	 
COc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccco2)CC3)c1	ZINC000009632502	JK	Agent	Anodyne	 
COc1ccc(C)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	ZINC000009632503	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)Nc1cc(F)ccc1F	ZINC000009632586	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	ZINC000009632587	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2)Nc1ccccc1Cl	ZINC000009632588	JK	Agent	Anodyne	 
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	ZINC000009632590	JK	Agent	Mild	 
COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)cc1	ZINC000009632592	JK	Agent	Anodyne	 
COc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	ZINC000009632593	JK	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)Nc4c(C)cc(C)cc4C)nnc23)cc1	ZINC000009632600	JK	Agent	Anodyne	 
Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2	ZINC000009632970	JK	Agent	Anodyne	 
N#Cc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1	ZINC000009632972	JK	Agent	Mild	 
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1ccccc1Cl	ZINC000009633018	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1ccc(F)cc1F	ZINC000009633021	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2	ZINC000009633236	JK	Agent	Anodyne	 
O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCN(C(=O)/C=C/c2ccccc2)CC1	ZINC000009633687	JK	Agent	Anodyne	 
COc1cccc(-c2nc(CC(=O)Nc3cccc(/C=C/c4ccccn4)c3)cs2)c1OC	ZINC000009633764	JK	Agent	Anodyne	 
CC(=O)c1ccc(-c2ccc(/C=C(\c3nc4ccccc4[nH]3)S(=O)(=O)c3ccccc3)o2)cc1	ZINC000009634356	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccccc2)o1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000009634971	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccccc2)o1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000009634972	JK	Agent	Anodyne	 
CN1/C(=C\C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)C(C)(C)c2ccccc21	ZINC000009635395	JK	Agent	Mild	 
CCOc1ccccc1N(C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1	ZINC000009637971	JK	Agent	Anodyne	 
COc1ccc(/C=C2\N=C(SCC(=O)c3ccc(F)cc3)N(c3cccc(OC)c3)C2=O)cc1	ZINC000009640613	JK	Agent	Anodyne	 
Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C	ZINC000009642078	JK	Agent	Anodyne	 
O=C(COc1ncnc2sccc12)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000009643301	JK	Agent	Anodyne	 
O=C(O)C/C(=C\c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1	ZINC000009661953	JK	Agent	Anodyne	 
COc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1ccco1	ZINC000009662267	JK	Agent	Reactive	 
COc1ccc(/C=C2\N=C(SCCOc3ccccc3F)N(c3cccc(OC)c3)C2=O)cc1	ZINC000009662451	JK	Agent	Anodyne	 
COc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccc(O)cc2)CC3)cc1	ZINC000009663403	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCc2nc3ccccc3s2)cc1Cl	ZINC000009664292	JK	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4C(C)C)nnc23)cc1	ZINC000009664852	JK	Agent	Anodyne	 
CCc1ccc(-n2c(=O)c3ccccc3n3c(SCC(=O)c4cc(C)ccc4C)nnc23)cc1	ZINC000009665886	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2	ZINC000009666408	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1	ZINC000009669717	JK	Agent	Anodyne	 
O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)CC1	ZINC000009670488	JK	Agent	Anodyne	 
CC[C@@H](c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1Cc1ccccc1)N(C)C	ZINC000009672623	JK	Agent	Mild	 
CC[C@H](c1nnc(SCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)n1Cc1ccccc1)N(C)C	ZINC000009672624	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4)n3)c12	ZINC000009672694	JK	Agent	Mild	 
CCOc1ccc(/N=C2/S[C@@H](CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000009705029	JK	Agent	Mild	 
CCOc1ccc(/N=C2/S[C@H](CC(=O)c3ccc(F)cc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000009705034	JK	Agent	Mild	 
C=CCN(C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1)c1nc2c(s1)CCCC2	ZINC000009711792	JK	Agent	Mild	 
O=C(OCc1nnc(-c2cccs2)o1)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2	ZINC000009711900	JK	Agent	Anodyne	 
COc1cc(/C=C(/C(=O)c2cccs2)c2nc3ccccc3n2C(F)F)c([N+](=O)[O-])cc1OC	ZINC000009713040	JK	Agent	Mild	 
O=C(CSc1nnc2ccccn12)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000009715653	JK	Agent	Anodyne	 
O=C(CSc1nnc2ccccn12)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000009715655	JK	Agent	Anodyne	 
CCOc1ccc(C(C)=O)cc1CSc1nnc2n(Cc3ccc(C)cc3)c(=O)c3ccccc3n12	ZINC000009715989	JK	Agent	Anodyne	 
O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)Nc1nnc(C2CC2)s1	ZINC000009716187	JK	Agent	Bother	 
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccc2ccccc2n1	ZINC000009716921	JK	Agent	Anodyne	 
Cc1ccc(N/C(SCC(=O)Nc2ccc3ccccc3c2)=C(/C#N)C(=O)N2CCCC2)cc1C	ZINC000009717032	JK	Agent	Reactive	 
Cc1sc2nc(/C(=C\c3csc(-c4ccc(Cl)cc4)n3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000009730146	JK	Agent	Anodyne	 
COc1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1OC(F)F	ZINC000009730214	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2cccnc2)o1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000009730424	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2cccnc2)o1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1	ZINC000009730425	JK	Agent	Anodyne	 
N#CC(C(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1)=C1Nc2ccccc2N1	ZINC000009730465	JK	Agent	Reactive	 
CC(=O)N(c1nc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cs1)c1ccccc1F	ZINC000009741487	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cs1)c1ccccc1F	ZINC000009741493	JK	Agent	Anodyne	 
CCOc1cc(/C=N\n2c(-c3ccco3)nc3ccccc3c2=O)ccc1OC(=O)c1cccc(C)c1	ZINC000009763291	JK	Agent	Mild	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cs1	ZINC000009765011	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1	ZINC000009765016	JK	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(SCC(=O)c4c(C)[nH]c5ccccc45)nnc23)cc1	ZINC000009767553	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)c1	ZINC000009789305	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)c1	ZINC000009789306	JK	Agent	Anodyne	 
CCCCOc1cc(/C=C(\Cl)c2nnc(C(=O)NCc3ccccc3)s2)ccc1OC	ZINC000009813893	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cs1	ZINC000009817627	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cs1	ZINC000009817632	JK	Agent	Anodyne	 
O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccccc1SCc1ccco1	ZINC000009836376	JK	Agent	Anodyne	 
Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4nncn4C)c3C#N)C(C)(C)C2)o1	ZINC000009846789	JK	Agent	Mild	 
Cc1sc2nc(/C(=C\c3ccc(-c4ccccc4F)o3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000009864594	JK	Agent	Anodyne	 
Cc1ccc(C(=O)CSc2nnc3n(-c4ccc(C)cc4C)c(=O)c4ccccc4n23)c(C)c1	ZINC000009869684	JK	Agent	Anodyne	 
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2nccn2C(F)F)cc1OC	ZINC000009882903	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N1CCC(c2nc3ccccc3o2)CC1	ZINC000009883093	JK	Agent	Anodyne	 
Cn1ccnc1SCC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1	ZINC000009883685	JK	Agent	Anodyne	 
Cn1ccnc1SCC(=O)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1	ZINC000009883686	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)cs1	ZINC000009884024	JK	Agent	Anodyne	 
Cc1cc(-n2c(C)cc(/C=C/C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1	ZINC000009884544	JK	Agent	Anodyne	 
CCCOc1ccccc1NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1	ZINC000009910797	JK	Agent	Reactive	 
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C/C(=O)OCc1nccn1C(F)F	ZINC000009914230	JK	Agent	Anodyne	 
O=c1c2ccccc2n2c(SCc3ccc(F)cc3Cl)nnc2n1Cc1ccccc1	ZINC000009947054	JK	Agent	Anodyne	 
Cc1cc(C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(Br)c1	ZINC000009948575	JK	Agent	Reactive	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(Sc4ncnc5c4oc4ccccc45)nnc23)cc1	ZINC000009958416	JK	Agent	Anodyne	 
Cc1ccc(Cn2c(=O)c3ccccc3n3c(Sc4ncnc5sc6c(c45)CCC6)nnc23)cc1	ZINC000009958420	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl	ZINC000009958560	JK	Agent	Anodyne	 
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1	ZINC000009960356	JK	Agent	Mild	 
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C	ZINC000009969727	JK	Agent	Clean	 
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCCOc2ccccc2)cc1Cl	ZINC000009983915	JK	Agent	Anodyne	 
C[C@H]1CN(C(=O)c2c(NC(=O)c3cccc(Cl)c3)sc3c2CC[C@@H](C(C)(C)C)C3)C[C@H](C)O1	ZINC000009994698	JK	Agent	Anodyne	 
O=C1c2ccccc2O[C@@]1(Cc1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000095676836	JK	Agent	Reactive	 
O=C1c2ccccc2O[C@]1(Cc1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000095676838	JK	Agent	Reactive	 
CCOC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl	ZINC000096437772	JK	Agent	Reactive	 
COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl	ZINC000096437777	JK	Agent	Reactive	 
Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C\c2cccn2Cc2ccc(Cl)cc2Cl)c1	ZINC000096437823	JK	Agent	Reactive	 
Cc1ccc(C)c([C@H](C)NC(=O)/C(C#N)=C\c2cccn2Cc2ccc(Cl)cc2Cl)c1	ZINC000096437824	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000096438289	JK	Agent	Reactive	 
COc1ccc(-c2nn(Cc3ccc(F)cc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	ZINC000096438304	JK	Agent	Reactive	 
N#C/C(=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)Nc1sccc1C#N	ZINC000096438438	JK	Agent	Reactive	 
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000096438445	JK	Agent	Reactive	 
N#C/C(=C/c1ccccc1OCc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000096438446	JK	Agent	Reactive	 
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1	ZINC000096438537	JK	Agent	Reactive	 
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1cccc(OC(=O)c2ccc(C)cc2)c1	ZINC000096438538	JK	Agent	Reactive	 
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1	ZINC000096438540	JK	Agent	Reactive	 
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1	ZINC000096438546	JK	Agent	Reactive	 
COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1ccc(COc2ccccc2C)o1	ZINC000096438547	JK	Agent	Reactive	 
CCOc1cc(/C=C(/C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OC)cc(Br)c1O	ZINC000096438548	JK	Agent	Reactive	 
CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)cc1	ZINC000096438549	JK	Agent	Reactive	 
N#C/C(=C/c1ccccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1sccc1C#N	ZINC000096438550	JK	Agent	Reactive	 
N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)C(=O)Nc1sccc1C#N	ZINC000096438551	JK	Agent	Reactive	
N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1sccc1C#N	ZINC000096438552	JK	Agent	Reactive	 
CCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1sccc1C(=O)OC(C)C	ZINC000096438568	JK	Agent	Reactive	 
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c(Br)cc1OC(C)C	ZINC000096438575	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1cccc2ccccc12	ZINC000096438582	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(COc2ccc(Br)cc2)o1)C(=O)Nc1sccc1C#N	ZINC000096438602	JK	Agent	Reactive	 
N#C/C(=C/c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2	ZINC000096438625	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000096438638	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)Nc1nccs1	ZINC000096438656	JK	Agent	Reactive	 
COc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl	ZINC000096438658	JK	Agent	Reactive	 
COc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1OCc1c(F)cccc1Cl	ZINC000096438659	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)Nc1nc(-c2ccccc2)cs1	ZINC000096438681	JK	Agent	Reactive	 
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1cccnc1	ZINC000096438682	JK	Agent	Reactive	 
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(COc3ccc(Cl)c(Cl)c3)o2)cc1	ZINC000096438700	JK	Agent	Reactive	 
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sccc3C(=O)OC(C)C)o2)cc1	ZINC000096438741	JK	Agent	Reactive	 
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000096438742	JK	Agent	Reactive	
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(Br)cc1	ZINC000096438743	JK	Agent	Reactive	 
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)Nc3sccc3C(=O)OC(C)C)ccc21	ZINC000096438744	JK	Agent	Reactive	 
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccccc1OC/C=C\c1ccccc1	ZINC000096438749	JK	Agent	Reactive	 
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccccc1OC/C=C\c1ccccc1	ZINC000096438750	JK	Agent	Reactive	 
CC(C)OC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1ccccc1OC/C=C/c1ccccc1	ZINC000096438751	JK	Agent	Reactive	 
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1OC	ZINC000096438758	JK	Agent	Reactive	 
CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1	ZINC000096438789	JK	Agent	Reactive	 
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C\c1cnn(CC)c1	ZINC000096438797	JK	Agent	Reactive	 
COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1	ZINC000096438799	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000096438813	JK	Agent	Reactive	 
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccc(F)cc1	ZINC000096438816	JK	Agent	Reactive	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000096438817	JK	Agent	Reactive	 
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(C(C)=O)c2)cc1	ZINC000096438839	JK	Agent	Reactive	 
N#C/C(=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000096438842	JK	Agent	Reactive	 
CCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(C)ccc1OC	ZINC000096438851	JK	Agent	Reactive	 
COc1ccccc1/C=C\C(=O)Nc1scc(-c2ccccc2)c1C(=O)NCc1ccco1	ZINC000096438927	JK	Agent	Anodyne	 
O=C(c1cc(-c2cccc(Cl)c2)nc2ccccc12)N1CCN(C/C=C\c2ccccc2)CC1	ZINC000096438928	JK	Agent	Anodyne	 
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3csc(-c4ccccc4)n3)c2C)cc1	ZINC000096445777	JK	Agent	Reactive	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1	ZINC000096446629	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(C(C)C)c1C	ZINC000096446632	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C	ZINC000096446634	JK	Agent	Mild	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	ZINC000096446635	JK	Agent	Mild	 
Cc1noc(C)c1COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C	ZINC000096447462	JK	Agent	Reactive	 
C[C@@H](c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)N(C)C	ZINC000096447662	JK	Agent	Mild	 
C[C@H](c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1-c1ccc(F)cc1)N(C)C	ZINC000096447665	JK	Agent	Mild	 
CCOc1cc(/C=C\C(=O)OCc2nnc(-c3ccccc3Br)o2)cc(Cl)c1OC	ZINC000096447794	JK	Agent	Anodyne	 
N#CCCn1cc(/C=C(/C#N)C(=O)OCc2ccc(Br)cc2)c(-c2cccc(Cl)c2)n1	ZINC000096449018	JK	Agent	Reactive	 
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1	ZINC000096450115	JK	Agent	Reactive	 
O=C(COC(=O)/C=C\c1cc(Br)ccc1F)Nc1c(Cl)cccc1C(F)(F)F	ZINC000096450297	JK	Agent	Anodyne	 
Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)s4)c3C#N)C(C)(C)C2)o1	ZINC000096458276	JK	Agent	Mild	 
COc1cc(/C=C\C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1OC	ZINC000096464432	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc(OC)c1OC	ZINC000096464434	JK	Agent	Anodyne	 
CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C	ZINC000096465705	JK	Agent	Anodyne	 
C[C@H](OC(=O)/C=C\c1cccc(Br)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000096465788	JK	Agent	Anodyne	 
C[C@@H](OC(=O)/C=C\c1cccc(Br)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1	ZINC000096465789	JK	Agent	Anodyne	 
O=C(CSc1nnc(-c2ccco2)o1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000096465801	JK	Agent	Anodyne	 
O=C(COC(=O)/C(=C\c1cccs1)c1cccs1)Nc1ncc(C(F)(F)F)cc1Cl	ZINC000096481518	JK	Agent	Anodyne	 
N#CCSc1ccccc1NC(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1	ZINC000096481591	JK	Agent	Mild	 
COCCCn1c(C)cc(C(=O)COC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1C	ZINC000096481594	JK	Agent	Anodyne	 
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCc1nnc(-c2ccccc2)o1	ZINC000096481663	JK	Agent	Anodyne	 
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)OCc1nnc(-c2cccs2)o1	ZINC000096481672	JK	Agent	Anodyne	 
C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000096481694	JK	Agent	Anodyne	 
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)N1CCCCCC1	ZINC000096481699	JK	Agent	Anodyne	 
Cc1noc(C)c1COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O	ZINC000096481700	JK	Agent	Anodyne	 
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)OCc1nnc(-c2ccccc2)o1	ZINC000096481704	JK	Agent	Anodyne	 
COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	ZINC000096481869	JK	Agent	Anodyne	 
COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)c1ccccc1	ZINC000096481873	JK	Agent	Anodyne	 
COc1ccccc1/C=C(\C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1	ZINC000096481883	JK	Agent	Mild	 
COc1ccccc1/C=C(\C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccccc1	ZINC000096481884	JK	Agent	Mild	 
COc1ccccc1/C=C(\C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F)c1ccccc1	ZINC000096481902	JK	Agent	Anodyne	 
COc1cccc(/C=C(\C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)c2ccccc2)c1	ZINC000096481954	JK	Agent	Mild	 
COc1cccc(/C=C(\C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc2)c1	ZINC000096481970	JK	Agent	Anodyne	 
COc1cccc(/C=C(\C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc2)c1	ZINC000096481971	JK	Agent	Anodyne	 
Cc1ccsc1/C=C\C1=Cc2c(sc(NC(=O)CSc3nncn3C)c2C#N)C(C)(C)C1	ZINC000096488327	JK	Agent	Mild	 
Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nncn4C)c3C#N)C(C)(C)C2)o1	ZINC000096488328	JK	Agent	Mild	 
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1C	ZINC000096491592	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c(C)n1CCC(C)C	ZINC000096491728	JK	Agent	Reactive	 
O=C(COC(=O)/C=C\c1ccc(OC(F)F)cc1)Nc1cc(Cl)c(Cl)cc1Cl	ZINC000096499329	JK	Agent	Anodyne	 
C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	ZINC000096499383	JK	Agent	Mild	 
C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	ZINC000096499384	JK	Agent	Mild	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1	ZINC000096504073	JK	Agent	Anodyne	 
CC(=O)Nc1ccc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)cc1	ZINC000096504074	JK	Agent	Anodyne	 
Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)c1C#N	ZINC000096504280	JK	Agent	Reactive	 
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2	ZINC000096504282	JK	Agent	Reactive	 
Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)CSc4nncs4)c3C#N)C(C)(C)C2)o1	ZINC000096504293	JK	Agent	Anodyne	 
N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1	ZINC000096504294	JK	Agent	Reactive	 
CCc1c(C)sc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(C(F)(F)F)c2)c1C#N	ZINC000096504311	JK	Agent	Reactive	 
CCn1c2ccccc2c2cc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21	ZINC000096504354	JK	Agent	Reactive	 
C[C@H](NC(=O)/C(C#N)=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1	ZINC000096504365	JK	Agent	Reactive	 
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1	ZINC000096504367	JK	Agent	Reactive	 
COc1ccc(CCNC(=O)/C(C#N)=C\c2cccn2Cc2ccc(Cl)cc2Cl)cc1OC	ZINC000096504373	JK	Agent	Reactive	 
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1	ZINC000096504384	JK	Agent	Reactive	
COC(=O)c1ccsc1NC(=O)/C(C#N)=C\c1cccn1Cc1ccc(Cl)cc1Cl	ZINC000096504426	JK	Agent	Reactive	 
CCOc1cc(/C=C(/C#N)C(=O)Nc2sccc2C#N)c(Br)cc1OC(C)C	ZINC000096504433	JK	Agent	Reactive	 
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C	ZINC000096504440	JK	Agent	Reactive	 
Cc1cc(C(=O)COC(=O)/C=C\c2nc3ccccc3s2)c(C)n1Cc1ccccc1Cl	ZINC000096506512	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)c1c[nH]c2ccccc12	ZINC000096506530	JK	Agent	Anodyne	 
O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)NCc1ccc(Cl)cc1	ZINC000096506621	JK	Agent	Anodyne	 
O=C(COc1ccc(-c2nnco2)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000096506645	JK	Agent	Anodyne	 
CCOc1ccc(C(C)=O)cc1COC(=O)/C=C\c1c(C)nn(Cc2ccccc2Cl)c1Cl	ZINC000096506739	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)O[C@@H](C)C(=O)N1CCCc2ccccc21	ZINC000096506745	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)O[C@H](C)C(=O)N1CCCc2ccccc21	ZINC000096506746	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C	ZINC000096506752	JK	Agent	Anodyne	 
COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	ZINC000096507888	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)n1CC(C)C	ZINC000096508111	JK	Agent	Reactive	 
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C	ZINC000096508183	JK	Agent	Mild	 
Cc1nn(-c2ccccc2)c(Cl)c1/C=C\C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C	ZINC000096508186	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)/C=C2/SCC(=O)N2CC(=O)Nc2ccccc2C(C)(C)C)cc1	ZINC000096515379	JK	Agent	Mild	 
CC(C)(C)c1ccc(C(=O)/C=C2/SCC(=O)N2Cc2nnc(-c3ccc(Cl)cc3)o2)cc1	ZINC000096515380	JK	Agent	Mild	 
CCSc1nnc(NC(=O)/C=C\c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)s1	ZINC000096523208	JK	Agent	Anodyne	 
O=C(NCc1ccc(Cl)cc1Cl)/C(=C\c1cccs1)n1nnnc1-c1ccccc1	ZINC000096523367	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cs1)c1ccccc1F	ZINC000096533379	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cs1)c1ccccc1F	ZINC000096533380	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N(C)Cc2ccc(Br)cc2)cs1	ZINC000096533526	JK	Agent	Anodyne	 
Cc1cc(-c2csc(NC(=O)/C=C\c3ccco3)n2)c(C)n1-c1cccc(C(F)(F)F)c1	ZINC000096533543	JK	Agent	Clean	 
COc1cc(/C=C\C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc(Cl)c1OC(C)C	ZINC000096536741	JK	Agent	Anodyne	 
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N(CCc1ccccc1)Cc1ccccc1	ZINC000096536814	JK	Agent	Anodyne	 
COc1cccc(CN(C)C(=O)/C=C\c2cn(Cc3ccccc3)nc2-c2cccs2)c1OC	ZINC000096536925	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1c(C)noc1C	ZINC000096536958	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)ccc1OCc1c(C)noc1C	ZINC000096536959	JK	Agent	Anodyne	 
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C\c1ccc(Br)s1	ZINC000096536969	JK	Agent	Anodyne	 
C=CCN(C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2F)n1)c1nc2c(s1)CCCC2	ZINC000096537000	JK	Agent	Mild	 
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C\C(=O)N1CCC(c2nc3ccccc3o2)CC1	ZINC000096543619	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC(c3nc4ccccc4o3)CC2)cs1	ZINC000096543623	JK	Agent	Anodyne	 
O=C(/C=C\c1ccco1)Oc1ccc(Sc2ccc(OC(=O)/C=C\c3ccco3)cc2)cc1	ZINC000096543672	JK	Agent	Anodyne	 
O=C(/C=C\c1ccco1)Oc1ccc(Sc2ccc(OC(=O)/C=C/c3ccco3)cc2)cc1	ZINC000096543673	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1OCC(C)C	ZINC000096544342	JK	Agent	Anodyne	 
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(Cc2ccccc2)c2nc3ccc(OC)cc3s2)c1C	ZINC000096544685	JK	Agent	Reactive	 
Cc1nn(CC(C)C)c(Cl)c1/C=C\C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C	ZINC000096545204	JK	Agent	Anodyne	 
O=C(/C=C\c1cccc(Br)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1	ZINC000096545284	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)ccc1OCC#N	ZINC000096557100	JK	Agent	Mild	 
CCc1ccc(N=C2SC[C@@H](CC)N2C(=O)c2ccccc2NC(=O)c2ccccc2)cc1	ZINC000096557124	JK	Agent	Anodyne	 
CCc1ccc(N=C2SC[C@H](CC)N2C(=O)c2ccccc2NC(=O)c2ccccc2)cc1	ZINC000096557125	JK	Agent	Anodyne	 
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C\c2nc3ccccc3s2)c1	ZINC000096557580	JK	Agent	Anodyne	 
CCOc1ccccc1N(C(=O)/C=C\c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1	ZINC000096557679	JK	Agent	Anodyne	 
CCOc1cc(/C=C\C(=O)N(c2nc3ccccc3s2)c2ccccc2OC)cc(Cl)c1OC	ZINC000096557752	JK	Agent	Anodyne	 
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc(/C=C\c4ccccn4)c3)cc12	ZINC000096565103	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1	ZINC000096565425	JK	Agent	Anodyne	 
COc1ccc(-c2nc(NC(=O)/C=C\c3ccc(OCC(C)C)c(OC)c3)sc2C)cc1	ZINC000096576436	JK	Agent	Anodyne	 
COc1ccc(-c2nc(NC(=O)CCN3C(=O)S/C(=C/c4cccs4)C3=O)sc2C)cc1	ZINC000096576437	JK	Agent	Anodyne	 
O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C1CCN(C(=O)/C=C\c2ccccc2)CC1	ZINC000096576447	JK	Agent	Anodyne	 
CC[C@@H]1CSC(=Nc2cccc(C)c2)N1C(=O)c1ccccc1SCc1c(C)noc1C	ZINC000096576456	JK	Agent	Anodyne	 
Cc1ccc(C)c(N=C2SCC(C)(C)N2C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1	ZINC000096576469	JK	Agent	Anodyne	 
Cc1ccc(N=C2SCC(C)(C)N2C(=O)c2ccccc2OCc2c(C)noc2C)c(C)c1	ZINC000096578158	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cs1	ZINC000096578776	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1	ZINC000096578779	JK	Agent	Anodyne	 
CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1	ZINC000096579150	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1)c1ccccc1F	ZINC000096585541	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1)c1ccccc1F	ZINC000096585542	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)ccc1OCc1c(C)noc1C	ZINC000096585575	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)ccc1OCc1c(C)noc1C	ZINC000096585576	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cs1	ZINC000096586129	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cs1	ZINC000096586130	JK	Agent	Anodyne	 
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C)c1	ZINC000096600691	JK	Agent	Reactive	 
CCOc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(F)cc1	ZINC000096602795	JK	Agent	Reactive	 
COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl	ZINC000096602796	JK	Agent	Reactive	 
COc1cccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cc2)c1OC	ZINC000096619754	JK	Agent	Anodyne	 
COc1cccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)Nc2ccc(C#N)cc2)c1OC	ZINC000096619755	JK	Agent	Anodyne	 
Cc1ccc(Nc2nc(/C=C\c3ccc(Br)cc3)nc3sc4c(c23)CCCC4)cc1C	ZINC000096630468	JK	Agent	Anodyne	 
CN1CCCN(c2nc(/C=C\c3ccc(Br)cc3)nc3sc4c(c23)CCCC4)CC1	ZINC000096634877	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cs1	ZINC000096634996	JK	Agent	Anodyne	 
COc1ccc(N(C(C)=O)c2nc(/C=C3/N=C(c4ccc(Cl)cc4Cl)OC3=O)cs2)cc1	ZINC000096634997	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cs1)c1cccc(C)c1C	ZINC000096635002	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cs1	ZINC000096635003	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cs1)c1ccc(F)cc1F	ZINC000096635004	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cs1)c1ccc(F)cc1F	ZINC000096635082	JK	Agent	Anodyne	 
CCOc1ccc(C2=N/C(=C/c3csc(N(C(C)=O)c4c(C)cccc4C)n3)C(=O)O2)cc1	ZINC000096635135	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1	ZINC000096635139	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccccc3Br)OC2=O)cs1)c1c(C)cccc1C	ZINC000096635170	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc(Br)o1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	ZINC000096640028	JK	Agent	Anodyne	 
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1sc(N2CCOCC2)nc1-c1ccccc1	ZINC000096663199	JK	Agent	Reactive	 
COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1Cl	ZINC000096663224	JK	Agent	Reactive	 
CC(=O)N(c1nc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cs1)c1ccc(F)cc1F	ZINC000096663266	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cs1)c1ccccc1F	ZINC000096663297	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cs1)c1c(C)cccc1C	ZINC000096663299	JK	Agent	Clean	 
Cc1ccc(NC2=NC(=O)/C(=C/c3cn(CCC#N)nc3-c3ccc(Br)cc3)S2)cc1	ZINC000096663320	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1ccccc1F	ZINC000096663338	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1cccc(C)c1C	ZINC000096663342	JK	Agent	Clean	 
Cc1ccc(NC2=NC(=O)/C(=C/c3cn(Cc4ccccc4)nc3-c3ccccc3)S2)cc1	ZINC000096663344	JK	Agent	Clean	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/S/C(=N\c3c(C)cccc3C)NC2=O)cs1	ZINC000096663350	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2/S/C(=N\c3c(C)cccc3C)NC2=O)cs1)c1ccc(F)cc1F	ZINC000096663351	JK	Agent	Mild	 
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000096663383	JK	Agent	Reactive	 
N#CCCn1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)c(-c2ccc(Br)cc2)n1	ZINC000096663413	JK	Agent	Mild	 
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(Nc3ccccc3)=NC2=O)c1	ZINC000096663415	JK	Agent	Clean	 
O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S	ZINC000096663452	JK	Agent	Clean	 
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C	ZINC000096669482	JK	Agent	Reactive	 
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	ZINC000096669546	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(Cl)c1	ZINC000096669547	JK	Agent	Reactive	 
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)cc1C	ZINC000096669549	JK	Agent	Reactive	 
Cc1sc2nc(/C(C#N)=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)nc(O)c2c1C	ZINC000096669609	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1-c1ccccc1	ZINC000096669632	JK	Agent	Reactive	 
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccccc1C(=O)O	ZINC000096669644	JK	Agent	Reactive	 
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3nc(-c4ccc(C)cc4)no3)cc2OC)cc1OC	ZINC000096669756	JK	Agent	Reactive	 
Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)c1	ZINC000096759091	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)cs1)c1ccccc1F	ZINC000096759095	JK	Agent	Anodyne	 
O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1csc(-c2cccc(Br)c2)n1	ZINC000096759162	JK	Agent	Anodyne	 
O=c1c2cc(Cl)cc(Cl)c2nc2n1CC/C2=C\c1cc2ccccc2nc1N1CCOCC1	ZINC000096759170	JK	Agent	Clean	 
CC(=O)N(c1nc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)cs1)c1ccccc1F	ZINC000096759182	JK	Agent	Anodyne	 
COc1cc(/C=C\c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc(Br)c1O	ZINC000096759375	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000096765486	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000096765495	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C/c3csc(-c4ccc(Cl)cc4)n3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000096765499	JK	Agent	Anodyne	 
CCN1CCN(c2ccc(C(=O)/C=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)cc2F)CC1	ZINC000096765555	JK	Agent	Mild	 
Cc1cc(/C=C(\C(=O)N2CCCC2)c2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc(C)c1O	ZINC000096765801	JK	Agent	Anodyne	 
O=C(/C(=C\c1ccc(Cl)c(Cl)c1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCCC1	ZINC000096765803	JK	Agent	Anodyne	 
CCCCOc1ccc(/C=C(\C(=O)N2CCCC2)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1	ZINC000096765804	JK	Agent	Anodyne	 
Cc1c(C(=O)O)sc2nc(/C=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)[nH]c(=O)c12	ZINC000096765817	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cs1	ZINC000096766300	JK	Agent	Anodyne	 
CCOc1cc(/C=C\c2ccc3c(Cl)cc(Cl)c(O)c3n2)ccc1OCC(=O)N(C)C	ZINC000096766415	JK	Agent	Anodyne	 
COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000096766565	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cs1)c1ccccc1F	ZINC000096766971	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cs1)c1ccccc1F	ZINC000096766972	JK	Agent	Mild	 
N#CCCn1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(-c2ccccc2)n1	ZINC000096767053	JK	Agent	Mild	 
COc1cc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Br)c1OC	ZINC000096767054	JK	Agent	Mild	 
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\c1nc2cc(-c3ccccc3)ccc2o1	ZINC000096767133	JK	Agent	Anodyne	 
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C\c1nc2cc(-c3ccccc3)ccc2o1	ZINC000096767134	JK	Agent	Anodyne	 
C(=C\c1nc2c(ccc3ccccc32)s1)\c1cccc(/C=C\c2nc3c(ccc4ccccc43)s2)c1	ZINC000096767138	JK	Agent	Anodyne	 
C(=C\c1nc2c(ccc3ccccc32)s1)\c1cccc(/C=C/c2nc3c(ccc4ccccc43)s2)c1	ZINC000096767139	JK	Agent	Anodyne	 
C(=C\c1nc2c(ccc3ccccc32)s1)\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000096767146	JK	Agent	Anodyne	 
CCOc1cc(/C=C\c2nc3ccccc3s2)cc(Br)c1OCC(=O)N(C)C	ZINC000096767195	JK	Agent	Anodyne	 
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1ccccc1	ZINC000096767439	JK	Agent	Reactive	 
O=C(O)C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1	ZINC000096767471	JK	Agent	Anodyne	 
CCOc1cc(/C=C(/CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1	ZINC000096767477	JK	Agent	Anodyne	 
CCOc1cc(/C=C(/CC(=O)O)c2nc3ccccc3s2)ccc1OCC(=O)N1CCCCC1	ZINC000096767480	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cs1	ZINC000096767518	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(/N=C2\NCCCS2)cc1	ZINC000096767540	JK	Agent	Mild	 
COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	ZINC000096767552	JK	Agent	Reactive	 
CCC(C)(C)[C@H]1C/C(=C/c2ccc(N3CCOCC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000096767554	JK	Agent	Clean	 
CCC(C)(C)[C@@H]1C/C(=C/c2ccc(N3CCOCC3)cc2)c2nc3ccccc3c(C(=O)O)c2C1	ZINC000096767555	JK	Agent	Clean	 
Cc1ccc(-c2csc(/C=C\c3cc(Br)c(O)c(Br)c3)n2)cc1	ZINC000096767561	JK	Agent	Anodyne	 
Oc1c(Br)cc(/C=C\c2nc(-c3ccc(F)cc3)cs2)cc1Br	ZINC000096767576	JK	Agent	Anodyne	 
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc(Br)cc3F)cc2)cc1	ZINC000096767594	JK	Agent	Mild	 
O=C(O)CC/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc2ccccc2s1	ZINC000096767633	JK	Agent	Anodyne	 
O=C(O)CC/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1)c1nc2ccccc2s1	ZINC000096767643	JK	Agent	Anodyne	 
Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C(/CCC(=O)O)c1nc2ccccc2s1	ZINC000096767659	JK	Agent	Anodyne	 
Cc1ccc(Cn2nc(C)c(/C=C(/CCC(=O)O)c3nc4ccccc4s3)c2Cl)cc1	ZINC000096767661	JK	Agent	Anodyne	 
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1C	ZINC000096767664	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cs1	ZINC000096767675	JK	Agent	Anodyne	 
CCc1ccc(N(C(C)=O)c2nc(CN3CCN(C/C=C\c4ccccc4)CC3)cs2)cc1	ZINC000096781174	JK	Agent	Anodyne	 
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	ZINC000096791972	JK	Agent	Reactive	 
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)c1	ZINC000096791973	JK	Agent	Reactive	 
O=c1[nH]c(/C=C\c2cc(Br)c(O)c(Br)c2)nc2sc3c(c12)CCCC3	ZINC000096791979	JK	Agent	Anodyne	 
COc1cc(/C=C\c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc(Cl)cc1	ZINC000096791982	JK	Agent	Anodyne	 
Cc1nn(Cc2cccc3ccccc23)c(Cl)c1/C=C\c1cc(C(=O)O)c2ccccc2n1	ZINC000096792015	JK	Agent	Anodyne	 
CCS(=O)(=O)c1ccc2oc(/C=C\c3cn(-c4ccccc4)nc3-c3cccs3)nc2c1	ZINC000096792086	JK	Agent	Anodyne	 
CCOc1cc(/C=C\c2nc3cc(Cl)ccc3o2)cc(Br)c1OCC(=O)N(C)C	ZINC000096792101	JK	Agent	Anodyne	 
CCOC(=O)c1sc2[nH]c(/C=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)nc(=O)c2c1C	ZINC000096792141	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)cs1)c1ccccc1F	ZINC000096792183	JK	Agent	Anodyne	 
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccccc2c(=O)n1-c1ccccc1	ZINC000096792216	JK	Agent	Anodyne	 
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000096792378	JK	Agent	Mild	 
N#C/C(=C/c1cccc2ccccc12)S(=O)(=O)c1cc(Br)ccc1Br	ZINC000096792474	JK	Agent	Reactive	 
CSc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1	ZINC000096792479	JK	Agent	Reactive	 
CCc1ccc(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1	ZINC000096792481	JK	Agent	Reactive	 
Cc1cc(C)c(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)c(C)c1	ZINC000096792482	JK	Agent	Reactive	 
Cc1ccc(C)c(/C=C(/C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1	ZINC000096792512	JK	Agent	Reactive	 
Cc1cccc(/C=C\c2cc(-c3ccc(Br)cc3)n3c(nc4ccccc43)c2C#N)c1	ZINC000096792517	JK	Agent	Mild	 
O=C(Nc1ccc2c(c1)OCCO2)/C(=C\c1ccccc1C(F)(F)F)C(=O)c1ccccc1	ZINC000096792853	JK	Agent	Mild	 
C1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C1=C(c1ccccc1)c1ccccc1	ZINC000096794556	JK	Agent	Anodyne	 
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccs1	ZINC000096795006	JK	Agent	Anodyne	 
O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)/C(=C\c1cccs1)c1cccs1	ZINC000096797706	JK	Agent	Anodyne	 
Cc1ccc(NC(=O)c2sc3nc(COC(=O)/C=C\c4cccc(F)c4)[nH]c(=O)c3c2C)c(C)c1	ZINC000096797999	JK	Agent	Anodyne	 
Oc1nc(/C(Cl)=C\c2cc(Br)ccc2F)nc2scc(-c3cccs3)c12	ZINC000096801563	JK	Agent	Anodyne	 
Cc1cc(/C=C(/C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1	ZINC000096809721	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1	ZINC000096809722	JK	Agent	Reactive	 
O=C(Cn1cnc2ccc(Cl)cc2c1=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1	ZINC000096812221	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C/c3ccc(-c4ccccc4)s3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000096814672	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@H]1c1nc2ccccc2s1	ZINC000096814950	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@@H]1c1nc2ccccc2s1	ZINC000096814953	JK	Agent	Anodyne	 
Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1	ZINC000096815049	JK	Agent	Anodyne	 
COc1cc2c(cc1/C=C\C(=O)N(Cc1ccc(OC)c(OC)c1)Cc1cccs1)O[C@H](C)C2	ZINC000096817196	JK	Agent	Anodyne	 
COc1cc2c(cc1/C=C\C(=O)N(Cc1ccc(OC)c(OC)c1)Cc1cccs1)O[C@@H](C)C2	ZINC000096817197	JK	Agent	Anodyne	 
CC(C)(C)C1C/C(=C/c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1	ZINC000096822474	JK	Agent	Mild	 
COc1cc(/C=C\C(=O)N2CCCSc3ccccc32)ccc1OCc1c(C)noc1C	ZINC000096822545	JK	Agent	Anodyne	 
COc1ccc(N(Cc2cccs2)C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)cc1	ZINC000096826385	JK	Agent	Anodyne	 
O=C(/C=C\c1cccc(Br)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000096826451	JK	Agent	Anodyne	 
C/C=C\c1ccc(OCC(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)c(OC)c1	ZINC000096826463	JK	Agent	Anodyne	 
C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2)n1	ZINC000096828906	JK	Agent	Mild	 
Cc1ccc(-c2csc(/C=C3/SCC(=O)N3CC(=O)Nc3ccccc3Cl)n2)cc1	ZINC000096833429	JK	Agent	Anodyne	 
Cc1cc(/C=C(/C#N)c2nc3c(s2)C[C@H](C)CC3)c(C)n1-c1ccc(Br)cc1	ZINC000096835585	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)c2nc3c(s2)C[C@@H](C)CC3)c(C)n1-c1ccc(Br)cc1	ZINC000096835586	JK	Agent	Reactive	 
Cc1c(C2=CCCCC2)c2ccccn2c1/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1	ZINC000096835598	JK	Agent	Mild	 
Cc1cc(C(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)n1C1CCCC1	ZINC000096835761	JK	Agent	Reactive	 
CSc1nc(C)c(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)cc1C#N	ZINC000096836143	JK	Agent	Reactive	 
COCCN(CCOC)C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1	ZINC000096836662	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc2ncccc2c1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O	ZINC000096836900	JK	Agent	Mild	 
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C(=C\c3cccs3)c3cccs3)cc2)nc(C)n1	ZINC000096837209	JK	Agent	Anodyne	 
N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1	ZINC000096838195	JK	Agent	Reactive	 
O=C(/C=C\c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1nc2c(ccc3ccccc32)s1	ZINC000096838232	JK	Agent	Anodyne	 
N#Cc1c(N(C(=O)/C=C\c2ccco2)C(=O)/C=C\c2ccco2)oc(-c2ccco2)c1-c1ccco1	ZINC000096838233	JK	Agent	Mild	 
N#Cc1c(N(C(=O)/C=C\c2ccco2)C(=O)/C=C/c2ccco2)oc(-c2ccco2)c1-c1ccco1	ZINC000096838234	JK	Agent	Mild	 
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C(=C\c2ccc(F)cc2)c2cccs2)c1	ZINC000096838236	JK	Agent	Anodyne	 
Cc1ccc(N2C(c3ccc(Cl)cc3)=CS/C2=C(/C#N)c2nc3ccccc3s2)cc1	ZINC000096838571	JK	Agent	Reactive	 
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1	ZINC000096840160	JK	Agent	Anodyne	 
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1	ZINC000096840161	JK	Agent	Anodyne	 
Cc1nn(C)c(C)c1/C=C\C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1	ZINC000096842711	JK	Agent	Anodyne	 
COc1cccc(/C=C\C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1OC	ZINC000096842721	JK	Agent	Anodyne	 
Cc1sc2nc(/C(=C/c3ccc(-c4ccccc4F)o3)C(=O)N3CCCC3)[nH]c(=O)c2c1C	ZINC000096843774	JK	Agent	Anodyne	 
CC[C@@H](c1nnc(Sc2nc(/C=C\c3ccccc3)nc3sc4c(c23)CCCC4)o1)N(C)C	ZINC000096843954	JK	Agent	Anodyne	 
CC[C@H](c1nnc(Sc2nc(/C=C\c3ccccc3)nc3sc4c(c23)CCCC4)o1)N(C)C	ZINC000096843955	JK	Agent	Anodyne	 
COc1cccc(-c2nc(CC(=O)Nc3cccc(/C=C\c4ccccn4)c3)cs2)c1OC	ZINC000096851372	JK	Agent	Anodyne	 
Cc1cc(-n2c(C)cc(/C=C\C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2C)no1	ZINC000096851375	JK	Agent	Anodyne	 
O=C(/C=C\c1ccc(-c2ccccc2F)o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000096851376	JK	Agent	Anodyne	 
COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C\C(=O)N(C)Cc1sccc1C	ZINC000096856700	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cs1	ZINC000096856766	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cs1	ZINC000096856767	JK	Agent	Anodyne	 
C=CCN(C(=O)/C=C\c1nc2ccccc2s1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1	ZINC000096858882	JK	Agent	Mild	 
CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)N(c2ccccc2)c2nc3ccccc3s2)cc1	ZINC000096861350	JK	Agent	Anodyne	 
C=CCOc1ccc(/C=C\C(=O)N(c2ccc(C)c(F)c2)c2nc3ccccc3s2)cc1OC	ZINC000096861595	JK	Agent	Mild	 
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C\c1ccc2ccccc2n1	ZINC000096861638	JK	Agent	Anodyne	 
COc1ccccc1-c1nn(Cc2ccccc2)cc1/C=C\C(=O)N(C)Cc1ccc2c(c1)OCO2	ZINC000096861669	JK	Agent	Anodyne	 
O=C(O)C/C(=C/c1cccc(/C=C(\CC(=O)O)c2nc3ccccc3o2)c1)c1nc2ccccc2o1	ZINC000096867693	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C	ZINC000096875848	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1OCc1c(C)noc1C	ZINC000096875849	JK	Agent	Anodyne	 
COc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2ccc3ccccc3n2)cc(OC)c1OC	ZINC000096878858	JK	Agent	Mild	 
Cc1nc(-c2cccs2)sc1C(=O)Oc1ccccc1/C=C\C(=O)c1cc2ccccc2o1	ZINC000096879040	JK	Agent	Mild	 
O=C(/C=C\c1cc(Cl)c2c(c1)OCCCO2)Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1	ZINC000096879047	JK	Agent	Anodyne	 
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)/C=C\c1cccc(Oc2ccccc2)c1	ZINC000096879066	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)c1	ZINC000096879371	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)c1	ZINC000096879372	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)c1	ZINC000096879377	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)c1	ZINC000096879378	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)c1	ZINC000096879379	JK	Agent	Anodyne	 
COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)c1	ZINC000096879380	JK	Agent	Anodyne	 
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1	ZINC000096888134	JK	Agent	Reactive	 
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1	ZINC000096888135	JK	Agent	Reactive	 
O=C(/C=C\c1c(F)cccc1Cl)OCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000096888485	JK	Agent	Anodyne	 
O=C(/C=C\c1c(F)cccc1Cl)OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1	ZINC000096888486	JK	Agent	Anodyne	 
Cc1ccccc1NC(=O)Cc1nc(COC(=O)/C=C\c2cc(Cl)c3c(c2)OCCCO3)cs1	ZINC000096888508	JK	Agent	Anodyne	 
COc1cc(/C=C(/SC)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc2c1OCO2	ZINC000096891414	JK	Agent	Anodyne	 
CS/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1	ZINC000096891415	JK	Agent	Anodyne	 
COc1cc(/C=C(/Cl)c2nc(O)c3c(-c4ccc(C)cc4)c(C)sc3n2)ccc1OCC(=O)O	ZINC000096891468	JK	Agent	Anodyne	 
COc1cc(/C=C(/c2nc(C)cs2)c2nc3ccccc3n2C)cc(Br)c1O	ZINC000096891594	JK	Agent	Anodyne	 
CCOc1cc(/C=C(/c2nc(C)cs2)c2nc3ccccc3n2C)cc(Br)c1O	ZINC000096891606	JK	Agent	Anodyne	 
COc1ccc([C@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)c(OC)c1	ZINC000096891837	JK	Agent	Anodyne	 
COc1ccc([C@@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3)n2)c(OC)c1	ZINC000096891838	JK	Agent	Anodyne	 
CCOc1ccc([C@@H]2CCCN2C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1	ZINC000096891915	JK	Agent	Anodyne	 
CCOc1ccc([C@H]2CCCN2C(=O)/C=C\c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1	ZINC000096891916	JK	Agent	Anodyne	 
CCOc1ccc([C@@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)cc1	ZINC000096891917	JK	Agent	Anodyne	 
CCOc1ccc([C@H]2CCCN2C(=O)/C=C\c2csc(N(C(C)=O)c3ccccc3F)n2)cc1	ZINC000096891921	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cs1)c1cccc(C)c1C	ZINC000096892174	JK	Agent	Anodyne	 
O=C(CSc1nnc(C2CC2)o1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000096892616	JK	Agent	Anodyne	 
Cc1cc(/C=C(/C#N)C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c(C)n1CC(C)C	ZINC000096892673	JK	Agent	Reactive	 
COc1ccc(-c2nnc([C@H](C)OC(=O)/C=C\c3c(C)nn(Cc4ccc(C)cc4)c3C)o2)cc1	ZINC000096892692	JK	Agent	Anodyne	 
COc1ccc(-c2nnc([C@@H](C)OC(=O)/C=C\c3c(C)nn(Cc4ccc(C)cc4)c3C)o2)cc1	ZINC000096892693	JK	Agent	Anodyne	 
Cc1nn2c(nc(N3CCCC3)c3ccccc32)c1/C=C(/CC(=O)O)c1nc2ccccc2s1	ZINC000096893555	JK	Agent	Anodyne	 
CCOc1cc(/C=C\c2cc(C)[nH]c(=O)c2C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000096893594	JK	Agent	Mild	 
O=C(CSc1nnc(-c2ccc[nH]2)o1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	ZINC000096893609	JK	Agent	Anodyne	 
CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1	ZINC000096904792	JK	Agent	Anodyne	 
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C\c2ccc(-c3ccccc3)s2)CC1	ZINC000096904915	JK	Agent	Anodyne	 
Cc1ccc(/C=C2/N=C(SCc3ccc(F)cc3)N(c3ccc(OC(F)(F)F)cc3)C2=O)cc1	ZINC000096905133	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N(Cc2ccccc2)c2nnc(SC(F)F)s2)cc(OC)c1	ZINC000096911847	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cs1	ZINC000096912768	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cs1	ZINC000096912769	JK	Agent	Anodyne	 
CC(=O)N(c1ccccc1)c1nc(/C=C\C(=O)N(C)Cc2ccccc2N2CCCCC2)cs1	ZINC000096912993	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)N(C)Cc2ccccc2N2CCCCC2)cs1)c1ccccc1F	ZINC000096912994	JK	Agent	Anodyne	 
CCc1oc2ccccc2c1CN(C)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2)n1	ZINC000096920371	JK	Agent	Anodyne	 
CCc1oc2ccccc2c1CN(C)C(=O)/C=C\c1csc(N(C(C)=O)c2ccccc2F)n1	ZINC000096920372	JK	Agent	Anodyne	 
COc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)N=C2SCc2ccc(Cl)cc2)c1	ZINC000096920771	JK	Agent	Anodyne	 
O=C(CSc1nc(/C=C\c2ccccc2)nc2ccccc12)c1cc(Cl)ccc1Cl	ZINC000096920797	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1)c1cccc(C)c1C	ZINC000096924456	JK	Agent	Mild	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1	ZINC000096924457	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(Br)cc2)cs1)c1ccc(F)cc1F	ZINC000096924458	JK	Agent	Mild	 
COc1ccc(N(C(C)=O)c2nc(/C=C\C(=O)c3ccc(Br)cc3)cs2)cc1	ZINC000096924459	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1)c1cccc(C)c1C	ZINC000096924460	JK	Agent	Mild	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1	ZINC000096924461	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1)c1ccc(F)cc1F	ZINC000096924462	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(Br)c2)cs1)c1c(C)cccc1C	ZINC000096924463	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\c2ccc3c(Cl)cc(Cl)c(O)c3n2)cs1)c1ccc(F)cc1F	ZINC000096924467	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cs1	ZINC000096924499	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cs1)c1cccc(C)c1C	ZINC000096924510	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cs1	ZINC000096924511	JK	Agent	Anodyne	 
COc1ccc(N(C(C)=O)c2nc(/C=C(/CC(=O)O)c3nc4ccccc4s3)cs2)cc1	ZINC000096924512	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cs1)c1c(C)cccc1C	ZINC000096924513	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cs1)c1cccc(C)c1C	ZINC000096924520	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cs1	ZINC000096924521	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cs1)c1ccc(F)cc1F	ZINC000096924522	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cs1)c1c(C)cccc1C	ZINC000096924523	JK	Agent	Anodyne	 
COc1cccc(N(C(C)=O)c2nc(/C=C3/CCn4c3nc3ccc(Cl)cc3c4=O)cs2)c1	ZINC000096924527	JK	Agent	Anodyne	 
O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(OCc2cn3ccccc3n2)cc1	ZINC000096924528	JK	Agent	Anodyne	 
COc1ccc(C(=O)/C=C\c2csc(N(C(C)=O)c3c(C)cccc3C)n2)cc1Br	ZINC000096924543	JK	Agent	Mild	 
CCOc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc12	ZINC000096924544	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cs1)c1c(C)cccc1C	ZINC000096924552	JK	Agent	Mild	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cs1	ZINC000096924563	JK	Agent	Anodyne	 
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/N=C(c3ccccc3C)OC2=O)cs1	ZINC000096924564	JK	Agent	Anodyne	 
CCOc1ccc(OCC)c(NC(=O)/C=C\c2ccc(OCc3cn4ccccc4n3)cc2)c1	ZINC000096924650	JK	Agent	Anodyne	 
N#CCCn1cc(/C=C\C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)c2ccccc21	ZINC000096924715	JK	Agent	Mild	 
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)N(C)Cc1cnn(Cc2ccccc2)c1	ZINC000096924786	JK	Agent	Anodyne	 
O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccccc1SCc1cccs1	ZINC000096924959	JK	Agent	Anodyne	 
COc1cc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCCCCC#N)cc(OC)c1OC	ZINC000096925400	JK	Agent	Mild	 
COc1cc(-c2nnc(S/C(=C/C#N)c3ccc(F)cc3)n2C2CCCCC2)cc(OC)c1OC	ZINC000096925403	JK	Agent	Reactive	 
Cc1cc(/C=C\C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)n1-c1ccccc1	ZINC000096925509	JK	Agent	Clean	 
O=C(/C=C\c1csc(-c2ccc(F)cc2)n1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	ZINC000096925672	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCC[C@@H]2c2cccnc2)cc1OC	ZINC000096925726	JK	Agent	Anodyne	 
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)N2CCC[C@H]2c2cccnc2)cc1OC	ZINC000096925727	JK	Agent	Anodyne	 
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1	ZINC000096925783	JK	Agent	Reactive	 
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1nc(O)c2ccccc2n1	ZINC000096925784	JK	Agent	Reactive	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3c(C)nn(-c4ccc(F)cc4)c3Cl)c12	ZINC000096925850	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3csc(-c4ccc(Cl)cc4)n3)c12	ZINC000096925861	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(OC)c(OC(F)F)c(OC)c3)c12	ZINC000096925862	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3c(C)nn(Cc4ccccc4)c3Cl)c12	ZINC000096925875	JK	Agent	Mild	 
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3csc(N(C(C)=O)c4ccccc4)n3)c12	ZINC000096925876	JK	Agent	Mild	 
O=C(CSc1nc(/C=C\c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1Cl	ZINC000096925881	JK	Agent	Anodyne	 
O=C(NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)c1ccccc1SCc1ccco1	ZINC000096925887	JK	Agent	Anodyne	 
CCOC(=O)/C=C\c1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1	ZINC000096926203	JK	Agent	Anodyne	 
CCCCOc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)ccc1OC	ZINC000096926337	JK	Agent	Anodyne	 
CCN(C(C)=O)c1nc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)cs1	ZINC000096930339	JK	Agent	Anodyne	 
O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C\c2ccc(-c3ccc(F)cc3)o2)s1	ZINC000096930506	JK	Agent	Anodyne	 
Cc1cc(C)n2c(CNc3nc(/C=C\c4ccccc4)nc4sc5c(c34)CCCC5)nnc2n1	ZINC000096930517	JK	Agent	Anodyne	 
CCCOc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCC#N)nc1-c1ccc(Cl)cc1	ZINC000096930524	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)OCc2nccn2C(F)F)c(C)n1-c1ccc(Br)cc1	ZINC000096930529	JK	Agent	Reactive	 
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C\C(=O)OCc1nccn1C(F)F	ZINC000096930532	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)ccc1OCC(C)C	ZINC000096930693	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)ccc1OCC(C)C	ZINC000096930694	JK	Agent	Anodyne	 
Cc1cc(/C=C\C(=O)N(C)[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(C)n1-c1ccnn1C(C)C	ZINC000096930695	JK	Agent	Anodyne	 
Cc1cc(/C=C\C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C)n1-c1ccnn1C(C)C	ZINC000096930696	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)OCC(=O)N[C@@H](c2cccs2)C(C)C)ccc1OCc1c(C)noc1C	ZINC000096930987	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)OCC(=O)N[C@H](c2cccs2)C(C)C)ccc1OCc1c(C)noc1C	ZINC000096930988	JK	Agent	Anodyne	 
C=CCOc1c(Br)cc(/C=C(/Cl)c2nc(-c3ccsc3)no2)cc1OC	ZINC000096931743	JK	Agent	Mild	 
CCOc1cc(/C=C\C(=O)c2ccc(F)c(Br)c2)cc(Cl)c1OCC(=O)N(C)C	ZINC000096931903	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C\C(=O)c2ccc(F)c(Br)c2)cs1)c1ccc(F)cc1F	ZINC000096931904	JK	Agent	Mild	 
CC(=O)OC1=C2C(C)(C)CCC[C@]2(C)c2c(cc(C(C)C)c(OC(C)=O)c2OC(C)=O)C1=O	ZINC000096932986	JK	Agent	Mild	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cs1)c1ccccc1F	ZINC000096935589	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cs1)c1ccccc1F	ZINC000096935618	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/N=C(c3ccc(Cl)cc3Cl)OC2=O)cs1	ZINC000096935623	JK	Agent	Anodyne	 
CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cs1	ZINC000096935624	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C2/N=C(c3ccccc3Br)OC2=O)cs1)c1ccccc1F	ZINC000096935660	JK	Agent	Anodyne	 
CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(/C=C\c2ccc(OC)cc2)noc1C	ZINC000096935796	JK	Agent	Anodyne	 
COc1ccc(/C=C\c2noc(C)c2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000096935798	JK	Agent	Anodyne	 
C[C@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl	ZINC000096936037	JK	Agent	Clean	 
C[C@@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl	ZINC000096936038	JK	Agent	Clean	 
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S/C=C/c2ccc([N+](=O)[O-])o2)cc1Cl	ZINC000096936391	JK	Agent	Bother	 
COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccccc1OCc1csc(C)n1	ZINC000096936571	JK	Agent	Anodyne	 
COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C\c1ccc(OCc2csc(C)n2)cc1	ZINC000096936572	JK	Agent	Anodyne	 
O=C(/C=C\c1ccccc1OC(F)F)N(Cc1ccccc1)c1nnc(SC(F)F)s1	ZINC000096936677	JK	Agent	Anodyne	 
COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C\c1ccc(N3CCCC3=O)cc1)CC2	ZINC000096936725	JK	Agent	Anodyne	 
COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C\c1ccc(N3CCCC3=O)cc1)CC2	ZINC000096936726	JK	Agent	Anodyne	 
O=C(/C=C\c1cc(Br)ccc1F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1	ZINC000096936957	JK	Agent	Anodyne	 
COc1cc(Cl)c(NC(=O)/C=C\c2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC	ZINC000096936992	JK	Agent	Anodyne	 
Cc1ccc(Cn2nc(C)c(/C=C\C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)c2C)cc1	ZINC000096936996	JK	Agent	Anodyne	 
C/C=C\c1ccc(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)c(OC)c1	ZINC000096937035	JK	Agent	Anodyne	 
Cc1ccccc1/C=C\c1nc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n[nH]1	ZINC000096937189	JK	Agent	Anodyne	 
Cc1ccccc1/C=C\c1nc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n[nH]1	ZINC000096937190	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)OCc2nc3ccccc3n2C(F)F)ccc1OCc1c(C)noc1C	ZINC000096937257	JK	Agent	Anodyne	 
O=C(c1ccc(Cn2cccn2)cc1)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2	ZINC000096939958	JK	Agent	Anodyne	 
Cc1c(C#N)c(NC(=O)COC(=O)/C=C\c2cccc3cccnc23)n(C2CCCCC2)c1C	ZINC000096941202	JK	Agent	Mild	 
O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(/C=C\c2ccc(F)cc2)[nH]1)c1ccccc1	ZINC000096942186	JK	Agent	Anodyne	 
O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(/C=C\c2ccc(F)cc2)[nH]1)c1ccccc1	ZINC000096942187	JK	Agent	Anodyne	 
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)/C=C\c2cccc3cccnc23)cs1	ZINC000096973069	JK	Agent	Anodyne	 
Cc1ccc(/C=C\c2nn(CN(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c(=S)[nH]2)o1	ZINC000096973181	JK	Agent	Anodyne	 
N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F	ZINC000096973280	JK	Agent	Reactive	 
COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCc2nc(C(C)C)no2)c1	ZINC000096983446	JK	Agent	Anodyne	 
COc1cc(/C=C\C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)ccc1OCC(C)C	ZINC000096983473	JK	Agent	Anodyne	 
O=C(/C=C\c1cccnc1)OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	ZINC000096988912	JK	Agent	Anodyne	 
CCCc1nc(CSC2=N/C(=C/c3cccs3)C(=O)N2c2ccc(OC)c(Cl)c2)cs1	ZINC000096988913	JK	Agent	Anodyne	 
CCOc1ccc2c(=O)c(-c3cscn3)c(/C=C\c3cc(OC)c(OC)c(OC)c3)oc2c1	ZINC000096991157	JK	Agent	Anodyne	 
O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)/C(=C\c1ccc(F)cc1)c1cccs1	ZINC000096991184	JK	Agent	Anodyne	 
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4cscn4)cc3)c3ccccc3C2=O)c1	ZINC000096991224	JK	Agent	Anodyne	 
COc1cc2nc(/C(Cl)=C\c3ccc(OCc4cscn4)cc3)nc(O)c2cc1OC	ZINC000096991233	JK	Agent	Anodyne	 
COc1ccc(/C=C2/N=C(SCc3noc(CC(C)C)n3)N(c3cc(C)cc(C)c3)C2=O)cc1	ZINC000096991435	JK	Agent	Anodyne	 
COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2noc(CC(C)C)n2)cc1Cl	ZINC000096991437	JK	Agent	Anodyne	 
Cc1ccc(Cn2nc(C)c(/C=C\C(=O)Nc3ccc(-c4cn5c(n4)CCC5)cc3)c2C)cc1	ZINC000096991508	JK	Agent	Anodyne	 
FC(F)(F)c1cccc(-c2noc(CCCN3CCN(C/C=C\c4ccccc4)CC3)n2)c1	ZINC000096993911	JK	Agent	Anodyne	 
CNC(=O)c1ccc(CN(C(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)C2CC2)cc1	ZINC000096997737	JK	Agent	Anodyne	 
COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)ccc1OCc1ccncc1	ZINC000096998158	JK	Agent	Anodyne	 
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)/C=C\c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000096998204	JK	Agent	Anodyne	 
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)/C=C\c2cc(C)n(-c3ccccc3)c2C)cc1	ZINC000096998207	JK	Agent	Clean	 
O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C\c2cccc(Br)c2)s1	ZINC000097003022	JK	Agent	Anodyne	 
COc1ccc2cc(/C=C(/Cl)c3nnc(C(=O)NCc4ccc(F)cc4)s3)ccc2c1	ZINC000097003029	JK	Agent	Anodyne	 
O=C(/C=C\c1ccccc1)OCC(=O)c1ccc(-n2nncc2-c2cccc(C(F)(F)F)c2)cc1	ZINC000097015725	JK	Agent	Anodyne	 
Cc1ccc(/C=C\C2=Cc3c(sc(NC(=O)Cn4ncc(=O)c5ccccc54)c3C#N)C(C)(C)C2)o1	ZINC000097040446	JK	Agent	Mild	 
CCCCn1nc(C)c(/C=C\C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1Cl	ZINC000097112531	JK	Agent	Anodyne	 
CC(=O)N(c1nc(/C=C\C(=O)Nc2ccc(Oc3ncccn3)cc2)cs1)c1ccccc1F	ZINC000097173607	JK	Agent	Anodyne	 
O=S(=O)(/N=C(O)/C=C\c1ccc(OCc2ccccn2)cc1)c1cc(Cl)ccc1Cl	ZINC000097173628	JK	Agent	Mild	 
CN(C(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(=Nc1ccc2ccccc2c1)c1ccccc1	ZINC000097220248	JK	Agent	Anodyne	 
COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2nc(C(C)C)no2)cc1OC	ZINC000097574857	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)Nc1cc(F)ccc1F	ZINC000097642538	JK	Agent	Anodyne	 
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CC2)Nc1ccc(F)cc1F	ZINC000097642674	JK	Agent	Anodyne	 
Brc1cc(Br)c(OC2CC(Br)C2)c(Br)c1	ZINC000097646556	JK	Agent	Reactive	 
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1	ZINC000097654703	JK	Agent	Reactive	 
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1	ZINC000097654704	JK	Agent	Reactive	 
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)c1C	ZINC000097657751	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1CCC(C)C	ZINC000097657943	JK	Agent	Reactive	 
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCCS/C1=N/c1ccccc1C(C)C	ZINC000097676151	JK	Agent	Mild	 
Cc1ccc(C2=CS/C(=C(/C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1	ZINC000097819734	JK	Agent	Reactive	 
N[C@@H](C[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F	ZINC000097939377	JK	Agent	Mild	 
N[C@@H](C[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000097939389	JK	Agent	Mild	 
N[C@H](C[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)c(F)c(F)c(F)c1F	ZINC000097939409	JK	Agent	Mild	 
CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000097945777	JK	Agent	Reactive	 
CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000097945779	JK	Agent	Reactive	 
Brc1ccc2c(c1)[C@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC2	ZINC000097947773	JK	Agent	Reactive	 
Brc1ccc2c(c1)[C@@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCC2	ZINC000097947774	JK	Agent	Reactive	 
O=C(O)c1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F	ZINC000097949880	JK	Agent	Mild	 
Fc1c(F)c(SC(F)(F)C(F)(F)F)c(F)c(F)c1SC(F)(F)C(F)(F)F	ZINC000097949921	JK	Agent	Mild	 
CCCCCCCCCCCCSc1nc([N+](=O)[O-])nn1C(c1ccccc1)c1ccccc1	ZINC000097965962	JK	Agent	Mild	 
C[C@]12CCCc3cc(OS(=O)(=O)C(F)(F)F)ccc3[C@]1(Cc1ccccc1)CCC(=O)C2	ZINC000097973137	JK	Agent	Unstable	 
C[C@@]12CCCc3cc(OS(=O)(=O)C(F)(F)F)ccc3[C@]1(Cc1ccccc1)CCC(=O)C2	ZINC000097973138	JK	Agent	Unstable	 
C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1	ZINC000097974579	JK	Agent	Anodyne	 
CCS[C@@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1	ZINC000097974625	JK	Agent	Anodyne	 
CCCCCCCCCCC[C@H](C[C@H](O)[C@@H](CCCCCC)C(=O)OC)O[C@@H]1CCCCO1	ZINC000097978728	JK	Agent	Mild	 
CCCCCCCCCCC[C@H](CC(=O)[C@@H](CCCCCC)C(=O)OC)O[C@@H]1CCCCO1	ZINC000097978738	JK	Agent	Mild	 
CCCCCCCCCCC[C@H](CC(=O)[C@H](CCCCCC)C(=O)OC)O[C@@H]1CCCCO1	ZINC000097978740	JK	Agent	Mild	 
O=C(O/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	ZINC000097980954	JK	Agent	Reactive	 
CCCn1c(C)cc(/C=C(C#N)\C(O)=N\c2cc(C(F)(F)F)ccc2Oc2cccc(OC)c2)c1C	ZINC000097985825	JK	Agent	Reactive	 
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c2C)c1	ZINC000097990528	JK	Agent	Reactive	 
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1	ZINC000097990546	JK	Agent	Reactive	 
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl	ZINC000097990588	JK	Agent	Reactive	 
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)C[C@H](C)CC5)o2)cc1	ZINC000097990710	JK	Agent	Reactive	 
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)C[C@@H](C)CC5)o2)cc1	ZINC000097990711	JK	Agent	Reactive	 
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1Cc1ccco1	ZINC000097990717	JK	Agent	Clean	 
CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1	ZINC000097990749	JK	Agent	Reactive	 
C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C)c([N+](=O)[O-])c1	ZINC000097991673	JK	Agent	Reactive	 
CCOC(=O)c1ccc(-c2ccc(/C=C(/Cl)c3nc(O)c4ccc(C(=O)O)cc4n3)o2)cc1	ZINC000097992418	JK	Agent	Anodyne	 
Oc1nc(/C(Cl)=C\c2cccc(/C=C(/Cl)c3nc(O)c4ccccc4n3)c2)nc2ccccc12	ZINC000097993226	JK	Agent	Anodyne	 
COc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2ccc(O)cc2O)cc1	ZINC000097994019	JK	Agent	Anodyne	 
COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1OCc1ccccc1	ZINC000097998107	JK	Agent	Reactive	 
COc1cccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1OC(C)C	ZINC000097999110	JK	Agent	Clean	 
CCOc1cccc(/C=C2/SC(=S)N(c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1OC	ZINC000097999119	JK	Agent	Clean	 
COc1cc(/C=C(/Cl)c2nnc(C(=O)NCc3ccccc3)s2)cc(Cl)c1OC(C)C	ZINC000098001828	JK	Agent	Anodyne	 
C=CCOc1c(Br)cc(/C=C(/Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)cc1OC	ZINC000098002279	JK	Agent	Mild	 
C=C(C)CN1C(=O)/C(=C/c2csc(N(C(C)=O)c3cccc(Cl)c3)n2)SC1=S	ZINC000098002434	JK	Agent	Mild	 
O=c1[nH]c(/C(Cl)=C\c2cc([N+](=O)[O-])c(F)cc2F)nc2scc(-c3cccs3)c12	ZINC000098007812	JK	Agent	Bother	 
Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(/C=C3\N(C)c4ccccc4C3(C)C)o2)cc1	ZINC000098037863	JK	Agent	Anodyne	 
Cc1ccc(/C=C\c2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)[nH]2)o1	ZINC000098042531	JK	Agent	Anodyne	 
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc3c(c1)OCCO3)CN(Cc1ccccc1)C2	ZINC000098053776	JK	Agent	Anodyne	 
O=C(COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccccc1C(F)(F)F	ZINC000098053835	JK	Agent	Anodyne	 
Cc1cccc(Oc2ccccc2NC(=O)/C=C\c2ccc(OCc3cn4ccccc4n3)cc2)c1	ZINC000098054045	JK	Agent	Anodyne	 
O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)/C(Cl)=C(/Cl)c1ccccc1	ZINC000098059580	JK	Agent	Anodyne