O=[N+]([O-])N(COCC(Cl)([N+](=O)[O-])[N+](=O)[O-])COCC(Cl)([N+](=O)[O-])[N+](=O)[O-]	ZINC000103535149	IB	Agent	Bother	
Cc1c(S(=O)(=O)O)cc(NC(=S)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)O	ZINC000012139537	IB	Agent	Anodyne	 
Cc1c(S(=O)(=O)O)cc(NC(=S)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)O	ZINC000012139538	IB	Agent	Anodyne	 
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1	ZINC000012176121	IB	Agent	Reactive	 
Cn1cc(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(=O)n(C)c1=O	ZINC000012988283	IB	Agent	Anodyne	 
COC(OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O	ZINC000014416954	IB	Agent	Anodyne	 
O=C1NC[C@@H](CCC(=O)N2CCOCC2)N2C[C@@H](NC(=S)NCc3ccco3)C[C@@H]12	ZINC000015708265	IB	Agent	Anodyne	 
C/C(CN1C(=O)CCC1=O)=N/NC(=O)CCCCC(=O)N/N=C(\C)CN1C(=O)CCC1=O	ZINC000020157399	IB	Agent	Reactive	
COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OC)S(=O)(=O)[C@@H](CCN(C)C)S1(=O)=O	ZINC000248122987	IB	Agent	Anodyne	 
Cc1cccc(OCCNC(=O)[C@H](C)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)c1	ZINC000252517578	IB	Agent	Anodyne	 
Cc1cccc(OCCNC(=O)[C@H](C)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)c1	ZINC000252517579	IB	Agent	Anodyne	 
O=C(O)[C@@H]1O[C@H](OC(=O)N2C[C@H]3C[C@H](C2)c2cc4nccnc4cc23)[C@@H](O)[C@H](O)[C@H]1O	ZINC000253532732	IB	Agent	Anodyne	 
O=C(O)[C@@H]1O[C@@H](OC(=O)N2C[C@H]3C[C@H](C2)c2cc4nccnc4cc23)[C@@H](O)[C@H](O)[C@H]1O	ZINC000253532733	IB	Agent	Anodyne	 
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253614458	IB	Agent	Bother	 
CN(C)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1	ZINC000254398989	IB	Agent	Reactive	 
CCOC(=O)C=c1sc(=Cc2ccc(C#N)cc2)c(=O)n1CC(=O)N1CCOCC1	ZINC000254771898	IB	Agent	Anodyne	 
CCOC(=O)C=c1sc(=Cc2ccccc2OC)c(=O)n1CC(=O)N1CCOCC1	ZINC000254843806	IB	Agent	Anodyne	 
O=C1CCN(S(=O)(=O)c2ccccc2)CCCN(C(=O)CN2CCOCC2)CCN1	ZINC000257180706	IB	Agent	Anodyne	 
CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)CCC(=O)NCC2)CC1	ZINC000257182821	IB	Agent	Anodyne	 
CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)CCC(=O)NCC2)CC1	ZINC000257182822	IB	Agent	Anodyne	 
COC(=O)[C@@H]1C(c2ccccc2)[C@H](C(=O)OC)S(=O)(=O)C(CCN(C)C)S1(=O)=O	ZINC000003207117	IB	Agent	Anodyne	
COC(=O)[C@H]1C(c2ccccc2)[C@H](C(=O)OC)S(=O)(=O)C(CCN(C)C)S1(=O)=O	ZINC000003207118	IB	Agent	Anodyne	
COC(=O)[C@@H]1C(c2ccccc2)[C@@H](C(=O)OC)S(=O)(=O)C(CCN(C)C)S1(=O)=O	ZINC000003207120	IB	Agent	Anodyne	
Cn1c(N)c(C(=O)COC(=O)C2CCN(/C=C/C(=O)C(F)(F)F)CC2)c(=O)n(C)c1=O	ZINC000003246754	IB	Agent	Mild	 
CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1	ZINC000003426396	IB	Agent	Anodyne	 
CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1	ZINC000003426397	IB	Agent	Anodyne	 
Cc1nnsc1C(=O)N[C@H]1CCN(C(=O)c2cccn2C)[C@H](C(=O)N[C@H](C)C(N)=O)C1	ZINC000004221681	IB	Agent	Anodyne	 
O=C1NCCC[C@@H]1NC(=O)[C@H]1CN(C(=O)N2CCOCC2)CCN1C(=O)C1CCCCC1	ZINC000005414444	IB	Agent	Anodyne	 
CS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1	ZINC000005414576	IB	Agent	Anodyne	 
O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)NCCN1C(=O)CSC1=O	ZINC000009144606	IB	Agent	Anodyne	 
Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000096448508	IB	Agent	Anodyne	 
Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	ZINC000096448509	IB	Agent	Anodyne	 
Cn1cc(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(=O)n(C)c1=O	ZINC000096931296	IB	Agent	Anodyne