O=S1(=O)CC[C@@H](NC(=S)NCCCCCCNC(=S)N[C@@H]2CCS(=O)(=O)C2)C1	ZINC000012174741	JB	Agent	Anodyne	 
O=S1(=O)CC[C@H](NC(=S)NCCCCCCNC(=S)N[C@H]2CCS(=O)(=O)C2)C1	ZINC000012174761	JB	Agent	Anodyne	 
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=S)N[C@H]1C=CS(=O)(=O)C1)C(Cl)(Cl)Cl	ZINC000012175717	JB	Agent	Anodyne	 
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NC(=S)N[C@H]1C=CS(=O)(=O)C1)C(Cl)(Cl)Cl	ZINC000012175722	JB	Agent	Anodyne	 
N[C@@H](CCOc1ccc(C(=O)C(=O)N[C@@H]2CN([C@@H](C(=O)O)c3ccc(O)cc3)C2=O)cc1)C(=O)O	ZINC000014614218	JB	Agent	Anodyne	 
CC(=O)NC/C(C)=N\NC(=O)CSc1nnc(SCC(=O)N/N=C(\C)CNC(C)=O)s1	ZINC000020158257	JB	Agent	Reactive	
O=S1(=O)C[C@H]2NC(=S)N(CCCCCCN3C(=S)N[C@H]4CS(=O)(=O)C[C@@H]43)[C@H]2C1	ZINC000247321997	JB	Agent	Anodyne	 
CCOC(=O)C(C(=O)OCC)=C(N)NN=C(C)CC(C)=NNC(N)=C(C(=O)OCC)C(=O)OCC	ZINC000254475447	JB	Agent	Mild	 
CCOC(=O)C=c1sc(=Cc2ccc(C(=O)OC)cc2)c(=O)n1CC(=O)N1CCOCC1	ZINC000254702872	JB	Agent	Anodyne	 
COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)c1OC	ZINC000254739329	JB	Agent	Reactive	 
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)OCCNC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1	ZINC000256036492	JB	Agent	Reactive	 
O=S1(=O)C[C@H](NC(=S)OCCNC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)[C@@H](Cl)C1	ZINC000256036493	JB	Agent	Reactive	 
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)OCCNC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1	ZINC000256036494	JB	Agent	Reactive	 
COC(=O)C1=C[C@H](NC(C)=O)[C@H](OC(C)=O)[C@H]([C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1	ZINC000256068291	JB	Agent	Anodyne	 
CC1(C)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](OC[C@@H](N)CO[C@H]3[C@@H]4OC(C)(C)O[C@H]4[C@H]4OC[C@H]3O4)[C@@H]2O1	ZINC000256434109	JB	Agent	Anodyne	 
CC1(C)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](OC[C@@H](N)CO[C@@H]3[C@H]4CO[C@@H](O4)[C@@H]4OC(C)(C)O[C@@H]43)[C@H]2O1	ZINC000256434116	JB	Agent	Anodyne	 
CC1(C)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](OC[C@@H](N)CO[C@@H]3[C@H]4CO[C@@H](O4)[C@@H]4OC(C)(C)O[C@@H]43)[C@@H]2O1	ZINC000256434121	JB	Agent	Anodyne	 
CC1(C)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](OC[C@@H](N)CO[C@H]3[C@@H]4OC(C)(C)O[C@H]4[C@H]4OC[C@H]3O4)[C@H]2O1	ZINC000256434126	JB	Agent	Anodyne	 
CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)CCC(=O)NCC2)CC1	ZINC000257186357	JB	Agent	Anodyne	 
CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)CCC(=O)NCC2)CC1	ZINC000257186359	JB	Agent	Anodyne	 
Cn1c(N)c(C(=O)COC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(C)c1=O	ZINC000003272601	JB	Agent	Anodyne	 
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1=C[C@@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)C1	ZINC000004221810	JB	Agent	Anodyne	 
N#Cc1ccc(C(=O)N2CCN(C(=O)c3cnccn3)[C@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1	ZINC000005414603	JB	Agent	Mild	 
O=C1NCCC[C@@H]1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)CCN1C(=O)c1cnccn1	ZINC000005434147	JB	Agent	Anodyne	 
CC(=O)Nc1ccc(S(=O)(=O)N2C(=N)N(c3nc(N(C)C)nc(N(C)C)n3)CC2=O)cc1	ZINC000006321594	JB	Agent	Anodyne	 
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)n(C)c1=O	ZINC000009318631	JB	Agent	Anodyne	 
Cn1c(=O)c2c(ncn2CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)n(C)c1=O	ZINC000096596288	JB	Agent	Anodyne	 
O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000096831553	JB	Agent	Anodyne	 
O=C(CN1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000096831557	JB	Agent	Anodyne	 
Cn1cc(/C=C\C(=O)OCC(=O)N(c2ccccc2)[C@@H]2CCS(=O)(=O)C2)c(=O)n(C)c1=O	ZINC000096931237	JB	Agent	Anodyne	 
Cn1cc(/C=C\C(=O)OCC(=O)N(c2ccccc2)[C@H]2CCS(=O)(=O)C2)c(=O)n(C)c1=O	ZINC000096931238	JB	Agent	Anodyne	 
CCN(CC)C(=O)/C(C#N)=C/c1cc(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c([N+](=O)[O-])c1	ZINC000097974565	JB	Agent	Reactive	 
CCN(CC)C(=O)/C(C#N)=C/c1cc(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)c(O)c([N+](=O)[O-])c1	ZINC000097974567	JB	Agent	Reactive