CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1	ZINC000000001961	EG	Annotated	Reactive	in-vitro
CN(C)C(=O)Cn1c(-c2ccc(C(F)(F)F)cc2)nc2cccnc21	ZINC000000002336	EG	Annotated	Anodyne	
Cc1ccc(-n2c(COc3ccc(Cl)c(C)c3)n[nH]c2=O)cc1	ZINC000000004641	EG	Annotated	Anodyne	
CCO[C@@H](C)n1c([S@](=O)Cc2ccccn2)nc2ccccc21	ZINC000000004900	EG	Annotated	Anodyne	
O=[S@](Cc1cc(OCC2CC2)ccn1)c1nc2cc(F)ccc2[nH]1	ZINC000000004925	EG	Annotated	Anodyne	
COc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)s1	ZINC000000005283	EG	Annotated	Mild	
CC(C)CCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000000006269	EG	Annotated	Anodyne	
CCCN(C)C(=O)Oc1no[n+]([O-])c1-c1c(Cl)cccc1Cl	ZINC000000006751	EG	Annotated	Anodyne	
Cc1c(N2CCCCC2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12	ZINC000000006771	EG	Annotated	Anodyne	
CCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N	ZINC000000008628	EG	Annotated	Anodyne	
COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(O)c(C)c1)C2	ZINC000000008694	EG	Annotated	Mild	
Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2)c1	ZINC000000008863	EG	Annotated	Anodyne	
C[C@@H]1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C	ZINC000000009032	EG	Annotated	Anodyne	
N=C(N)c1ccc2oc(CCc3cc4ccc(C(=N)N)cc4[nH]3)cc2c1	ZINC000000009107	EG	Annotated	Anodyne	
S=C(Nc1cccc(CN2CCSCC2)c1)c1ccccn1	ZINC000000011414	EG	Annotated	Anodyne	
Cc1[nH]cnc1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O	ZINC000000018503	EG	Annotated	Anodyne	
CN(C)c1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F	ZINC000000019629	EG	Annotated	Anodyne	
O=C1Nc2c(C(F)(F)F)cccc2[C@]1(O)c1cc(Cl)ccc1O	ZINC000000021695	EG	Annotated	Anodyne	
CCc1c(Oc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O	ZINC000000022558	EG	Annotated	Anodyne	
O=C(NCc1ccccc1Br)c1ccc2cnccc2n1	ZINC000000022717	EG	Annotated	Anodyne	
C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccccn1)c1ccccc1	ZINC000000023547	EG	Annotated	Anodyne	
O=C1CO[C@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1	ZINC000000023592	EG	Annotated	Mild	
CCOc1ccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)cc1	ZINC000000023595	EG	Annotated	Mild	
NC(=O)Nc1cccc2c1C(=O)c1c(-c3csc(Cl)c3)n[nH]c1-2	ZINC000000023905	EG	Annotated	Anodyne	
O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1	ZINC000000036953	EG	Annotated	Anodyne	 
O=[N+]([O-])c1ccc2oc(SCc3cn4cccnc4n3)nc2c1	ZINC000000067819	EG	Annotated	Anodyne	 
CCOc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000000074676	EG	Annotated	Mild	
CCOc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000000074686	EG	Annotated	Mild	
Cc1ccc2nsnc2c1NC(=O)c1cncc(Br)c1	ZINC000000087694	EG	Annotated	Anodyne	 
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccnc1	ZINC000000088482	EG	Annotated	Reactive	 
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccnc1	ZINC000000088494	EG	Annotated	Reactive	 
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccncc1	ZINC000000088499	EG	Annotated	Reactive	 
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccncc1	ZINC000000088507	EG	Annotated	Reactive	 
COc1ccc(OC)c2c(N3CCOCC3)cc(C(F)(F)F)nc12	ZINC000000092782	EG	Annotated	Anodyne	 
CCc1c(C)nc(N)nc1-n1nc(C(F)(F)F)cc1C(F)(F)F	ZINC000000092788	EG	Annotated	Anodyne	 
c1cc2n(c1)-c1c(ccc3c1OCO3)CN[C@H]2c1ccc2c(c1)OCO2	ZINC000000109696	EG	Annotated	Anodyne	 
c1cc2n(c1)-c1c(ccc3c1OCO3)CN[C@@H]2c1ccc2c(c1)OCO2	ZINC000000109700	EG	Annotated	Anodyne	 
COc1ccccc1[C@H]1NCc2ccc3c(c2-n2cccc21)OCO3	ZINC000000111582	EG	Annotated	Anodyne	 
Cc1nc([C@@H]2C(=O)c3ccc(O)c(O)c3O[C@@H]2C(F)(F)F)cs1	ZINC000000121995	EG	Annotated	Clean	
Cc1nc([C@H]2C(=O)c3ccc(O)c(O)c3O[C@@H]2C(F)(F)F)cs1	ZINC000000121998	EG	Annotated	Clean	
Cc1nc([C@@H]2C(=O)c3ccc(O)c(O)c3O[C@H]2C(F)(F)F)cs1	ZINC000000122001	EG	Annotated	Clean	
Cc1nc([C@H]2C(=O)c3ccc(O)c(O)c3O[C@H]2C(F)(F)F)cs1	ZINC000000122007	EG	Annotated	Clean	
Cc1nnsc1C(=O)NC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000000139644	EG	Annotated	Anodyne	
NC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccccc2)c1N	ZINC000000143663	EG	Annotated	Anodyne	 
CCN1C(=O)/C(=C/C=C2\CCCN2C)N(c2ccccc2)C1=S	ZINC000000179482	EG	Annotated	Anodyne	 
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1	ZINC000000180275	EG	Annotated	Anodyne	 
O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1	ZINC000000180276	EG	Annotated	Anodyne	 
O=C(Nc1ccccc1)n1c(=O)oc2cc(Br)ccc21	ZINC000000188872	EG	Annotated	Anodyne	 
Cc1cc(C)c(OC[C@H](O)CNC2CC(C)(C)NC(C)(C)C2)c(C)c1	ZINC000000189882	EG	Annotated	Anodyne	 
Cc1cc(C)c(OC[C@@H](O)CNC2CC(C)(C)NC(C)(C)C2)c(C)c1	ZINC000000189887	EG	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)NC(=O)N1	ZINC000000196840	EG	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)NC(=O)N1	ZINC000000196843	EG	Annotated	Anodyne	 
COc1ccccc1/N=C(\O)CSc1nnc(C(F)(F)F)o1	ZINC000000199296	EG	Annotated	Mild	 
COc1cc(OC)c(CN2CCSCC2)cc1Br	ZINC000000200390	EG	Annotated	Anodyne	 
Cc1cccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c1C	ZINC000000201416	EG	Annotated	Anodyne	 
Cc1ccc(NC(=O)CS(=O)(=O)c2c[nH]c3ccccc23)c(C)c1	ZINC000000201419	EG	Annotated	Anodyne	 
O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCC1=CCCCC1	ZINC000000201487	EG	Annotated	Anodyne	 
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1Br	ZINC000000207397	EG	Annotated	Reactive	 
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1Br	ZINC000000207401	EG	Annotated	Reactive	 
CC(C)CCCN1C(=O)NC(=O)/C(=C\c2ccccc2Cl)C1=O	ZINC000000208863	EG	Annotated	Clean	 
CN(C)/C=C/C(=O)c1nnn(-c2ccccc2)c1Nc1ccccc1	ZINC000000210979	EG	Annotated	Mild	 
CCOc1ccc(S(=O)(=O)NCc2ccccc2)c2cccnc12	ZINC000000211236	EG	Annotated	Anodyne	 
CCc1ccc(NC(=O)CCN2C(=S)NC(C)(C)C[C@@H]2C)cc1	ZINC000000211950	EG	Annotated	Anodyne	 
CCc1ccc(NC(=O)CCN2C(=S)NC(C)(C)C[C@H]2C)cc1	ZINC000000211951	EG	Annotated	Anodyne	 
CCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1	ZINC000000212140	EG	Annotated	Anodyne	 
CCC(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccc(F)cc1	ZINC000000212142	EG	Annotated	Anodyne	 
CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1	ZINC000000212153	EG	Annotated	Anodyne	 
CC(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1	ZINC000000212156	EG	Annotated	Anodyne	 
CCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1	ZINC000000212165	EG	Annotated	Anodyne	 
CCC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1	ZINC000000212168	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1	ZINC000000212171	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1	ZINC000000212173	EG	Annotated	Anodyne	 
O=C1CN(C(=O)C2CC2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1	ZINC000000212179	EG	Annotated	Anodyne	 
O=C1CN(C(=O)C2CC2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1	ZINC000000212180	EG	Annotated	Anodyne	 
CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)C[S@](=O)C2	ZINC000000212241	EG	Annotated	Anodyne	 
CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@@](=O)C2	ZINC000000212309	EG	Annotated	Anodyne	 
Cc1ccc(/N=C(\O)CCN2C(=O)c3ccncc3C2=O)c(Cl)c1	ZINC000000212596	EG	Annotated	Mild	 
CCc1ccc(N(CC)S(=O)(=O)c2cccc3nonc23)cc1	ZINC000000212919	EG	Annotated	Clean	 
COc1ccccc1C/N=C(\O)CCS(=O)(=O)c1cccs1	ZINC000000213713	EG	Annotated	Mild	 
CC[C@H]1CCCCN1[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O	ZINC000000216631	EG	Annotated	Anodyne	 
Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1	ZINC000000217236	EG	Annotated	Anodyne	 
Cc1ccc([C@@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1	ZINC000000217239	EG	Annotated	Anodyne	 
Cc1ccc(CCN2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1	ZINC000000220834	EG	Annotated	Anodyne	 
Cc1ccc(CCN2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)cc1	ZINC000000220835	EG	Annotated	Anodyne	 
C[C@H]1CCCC[C@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O	ZINC000000221164	EG	Annotated	Anodyne	 
C[C@@H]1CCCC[C@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O	ZINC000000221165	EG	Annotated	Anodyne	 
C[C@H]1CCCC[C@@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O	ZINC000000221167	EG	Annotated	Anodyne	 
C[C@@H]1CCCC[C@@H]1NC(=O)CCN1N=C(c2ccccc2)CCC1=O	ZINC000000221170	EG	Annotated	Anodyne	 
CCc1ccc([C@H]2C[C@@H](c3cccc(OC)c3)n3nnnc3N2)cc1	ZINC000000222442	EG	Annotated	Anodyne	 
CCc1ccc([C@@H]2C[C@@H](c3cccc(OC)c3)n3nnnc3N2)cc1	ZINC000000222443	EG	Annotated	Anodyne	 
CCc1ccc([C@@H]2C[C@H](c3cccc(OC)c3)n3nnnc3N2)cc1	ZINC000000222446	EG	Annotated	Anodyne	 
CC(=O)OC[C@@]12CO[C@H](CN3CCCCC3)[C@@H](C(C)=C[C@@H]1C)[C@H]2C	ZINC000000228815	EG	Annotated	Anodyne	 
C[C@H]1CCCN1c1ccc2[nH]c(=O)c(Cc3ccc(F)cc3)nc2n1	ZINC000000232977	EG	Annotated	Anodyne	
Cc1cccc(N2CCN(c3ccc4nc(O)c(C)nc4n3)C[C@H]2C)c1	ZINC000000233121	EG	Annotated	Anodyne	 
CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C	ZINC000000234396	EG	Annotated	Anodyne	
CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N(C)C	ZINC000000234400	EG	Annotated	Anodyne	
CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1	ZINC000000234420	EG	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1)C1=C(N2CCOCC2)CCCCCC1	ZINC000000259050	EG	Annotated	Anodyne	 
O=C1OCC(=O)N(Cc2ccccc2Cl)[C@H]1c1ccc(F)cc1	ZINC000000261089	EG	Annotated	Anodyne	 
O=C1OCC(=O)N(Cc2ccccc2Cl)[C@@H]1c1ccc(F)cc1	ZINC000000261091	EG	Annotated	Anodyne	 
O=C(CC[C@@H]1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1	ZINC000000261127	EG	Annotated	Anodyne	 
CC(=O)N1CCC(N(C(=O)Nc2c(F)cccc2F)C(C)C)CC1	ZINC000000261766	EG	Annotated	Anodyne	 
COc1cccc(OC)c1C(=O)Oc1ccc2sc(=O)oc2c1	ZINC000000264906	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)CC[C@H](C(=O)O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000000269723	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)CC[C@@H](C(=O)O)[C@@H]2c2ccc(F)cc2)cc1	ZINC000000269725	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)CC[C@H](C(=O)O)[C@H]2c2ccc(F)cc2)cc1	ZINC000000269726	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)CC[C@@H](C(=O)O)[C@H]2c2ccc(F)cc2)cc1	ZINC000000269728	EG	Annotated	Anodyne	 
O=C1/C(=C/c2ccccc2O)C(O)=NC(=S)N1c1ccc(F)cc1	ZINC000000270401	EG	Annotated	Clean	 
CCOc1cc(Br)cc(/C=N/c2ncccc2O)c1O	ZINC000000291230	EG	Annotated	Mild	 
Cc1ccc/c(=N/S(=O)(=O)c2ccc(Oc3ccccc3)cc2)[nH]1	ZINC000000308374	EG	Annotated	Anodyne	 
COc1cc(-c2nc(C(F)(F)F)c(OC)o2)cc(OC)c1OC	ZINC000000340585	EG	Annotated	Anodyne	 
Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3)c(=O)c2C#N)cc1	ZINC000000343709	EG	Annotated	Mild	 
Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(C)cc3)c(=O)c2C#N)cc1	ZINC000000343713	EG	Annotated	Mild	aggregator
CC/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1	ZINC000000369488	EG	Annotated	Mild	 
CSc1nn(-c2cc(Cl)nc(-c3ccccc3)n2)c(N)c1C#N	ZINC000000384919	EG	Annotated	Mild	
CCN(CC)P(=S)(c1c(C)nc2ccccn12)N(CC)CC	ZINC000000392353	EG	Annotated	Reactive	 
COc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1	ZINC000000411044	EG	Annotated	Anodyne	 
CC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2n2nnnc12	ZINC000000412357	EG	Annotated	Anodyne	
CCOC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC	ZINC000000415588	EG	Annotated	Anodyne	 
CCOC(=O)[C@@H](C)Sc1nnc2n1C(C)(C)Cc1ccccc1-2	ZINC000000420434	EG	Annotated	Anodyne	 
CCOC(=O)[C@H](C)Sc1nnc2n1C(C)(C)Cc1ccccc1-2	ZINC000000420435	EG	Annotated	Anodyne	 
Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCCC1	ZINC000000420682	EG	Annotated	Clean	 
CCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccncc1	ZINC000000422457	EG	Annotated	Anodyne	 
CC(C)NC(=O)COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2	ZINC000000423308	EG	Annotated	Anodyne	
Cn1cc(/C(O)=N/Cc2ccco2)c2c3ccccc3n(C)c2c1=O	ZINC000000423570	EG	Annotated	Mild	 
COc1cccc2cc(C(N)=O)/c(=N/Cc3cccc(Cl)c3)oc12	ZINC000000424133	EG	Annotated	Anodyne	 
S=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1cccnc1	ZINC000000425957	EG	Annotated	Anodyne	 
S=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1cccnc1	ZINC000000425958	EG	Annotated	Anodyne	 
CCOc1ccccc1-n1cc(-c2cc3ccccc3oc2=O)[nH]c1=O	ZINC000000426757	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12	ZINC000000426806	EG	Annotated	Anodyne	 
CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12	ZINC000000426815	EG	Annotated	Anodyne	 
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12	ZINC000000426816	EG	Annotated	Anodyne	 
CCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12	ZINC000000426817	EG	Annotated	Anodyne	 
CCN(CC)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12	ZINC000000426818	EG	Annotated	Anodyne	 
CCc1ccc(CN2C(=O)CC[C@]2(C)C(=O)NC2CCCC2)cc1	ZINC000000427017	EG	Annotated	Anodyne	 
CCc1ccc(CN2C(=O)CC[C@@]2(C)C(=O)NC2CCCC2)cc1	ZINC000000427018	EG	Annotated	Anodyne	 
CC[C@H]1CCCCN1C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000000427123	EG	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C1(S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000000427124	EG	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)C2(C(=O)N(C)C3CCCCC3)CC2)cc1	ZINC000000427137	EG	Annotated	Anodyne	 
CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cccs1	ZINC000000427217	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1Cc1cccs1	ZINC000000427218	EG	Annotated	Anodyne	 
CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cccs1	ZINC000000427219	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1cccs1	ZINC000000427220	EG	Annotated	Anodyne	 
Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21	ZINC000000427316	EG	Annotated	Anodyne	 
COc1ccc2nc3sc(C(=O)NC[C@H]4CCCO4)cc3cc2c1	ZINC000000428362	EG	Annotated	Anodyne	 
COc1ccc2nc3sc(C(=O)NC[C@@H]4CCCO4)cc3cc2c1	ZINC000000428363	EG	Annotated	Anodyne	 
COc1cccc(-c2nn(C)c3sc(C(=O)NC(C)C)cc23)c1	ZINC000000429609	EG	Annotated	Anodyne	 
CN(C(=O)c1cc2c(=O)[nH]c3ccccc3c2n1C)C1CCCCC1	ZINC000000429719	EG	Annotated	Anodyne	 
Cc1cc(N2CCOCC2)c2c(N)c(Br)cc(C)c2n1	ZINC000000441885	EG	Annotated	Anodyne	 
NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1	ZINC000000442124	EG	Annotated	Anodyne	 
Fc1ccccc1COc1cccc(C(=S)N2CCOCC2)c1	ZINC000000470013	EG	Annotated	Anodyne	 
O=c1[nH]nc2c3cc([N+](=O)[O-])c(Cl)cc3n3c(c1-2)CCCCC3	ZINC000000478645	EG	Annotated	Bother	 
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)o1	ZINC000000484807	EG	Annotated	Reactive	 
Cc1ccccc1N1CC2=C(C1=O)[C@@H](c1ccccc1)N=C(O)N2C	ZINC000000494076	EG	Annotated	Anodyne	 
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3F)c2n1	ZINC000001003222	EG	Annotated	Anodyne	 
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2c1	ZINC000001008012	EG	Annotated	Reactive	 
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	ZINC000001008035	EG	Annotated	Reactive	 
N#CC1=C2S[C@H]3CCCC[C@]3(O)N2C(=O)[C@H](C#N)C12CCCCC2	ZINC000001087508	EG	Annotated	Reactive	 
Fc1cccc(Cl)c1/C=N\n1c(S)nnc1-c1cccnc1	ZINC000001296321	EG	Annotated	Mild	 
Cc1cc(C)c2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1	ZINC000001342946	EG	Annotated	Anodyne	 
CCNC(=O)NC1(C(=O)Nc2ccc3c(c2)CCC3)CCCCC1	ZINC000001344810	EG	Annotated	Anodyne	 
CC(C)[C@@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O	ZINC000001361991	EG	Annotated	Anodyne	 
CC(C)[C@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O	ZINC000001361994	EG	Annotated	Anodyne	 
O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1	ZINC000001364989	EG	Annotated	Anodyne	 
COc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O	ZINC000001364996	EG	Annotated	Anodyne	 
CC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1	ZINC000001367379	EG	Annotated	Anodyne	
CC(C)CNC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccco1	ZINC000001377711	EG	Annotated	Anodyne	
Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1ccc(F)c(Cl)c1	ZINC000001430267	EG	Annotated	Anodyne	 
COC(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S	ZINC000001440440	EG	Annotated	Anodyne	 
[O-][n+]1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2c1	ZINC000001492405	EG	Annotated	Anodyne	
[O-][n+]1ccc2c(c1)ncn2CCOc1ccc(Cc2ccccc2)cc1	ZINC000001492406	EG	Annotated	Anodyne	
O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1	ZINC000001492407	EG	Annotated	Anodyne	
CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@]1(C)c1cccnc1	ZINC000100016132	EG	Annotated	Anodyne	
O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cccc(O)c12	ZINC000100018328	EG	Annotated	Anodyne	
O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1c(O)cccc12	ZINC000100018371	EG	Annotated	Anodyne	
COc1ccccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12	ZINC000100025083	EG	Annotated	Anodyne	
CN(C)c1ccccc1NC(=O)C1=C(O)CCn2c1nc1ccccc12	ZINC000100040022	EG	Annotated	Anodyne	
CN(C)c1ccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)cc1	ZINC000100040042	EG	Annotated	Anodyne	
CN(C)c1cccc(NC(=O)C2=C(O)CCn3c2nc2ccccc23)c1	ZINC000100040131	EG	Annotated	Anodyne	
O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1	ZINC000100041490	EG	Annotated	Anodyne	
O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1	ZINC000100041493	EG	Annotated	Anodyne	
[123I]c1ccc(COCCCc2cnc[nH]2)cc1	ZINC000100057996	EG	Annotated	Anodyne	in-vitro
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@H]2OC3=O	ZINC000100065236	EG	Annotated	Clean	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@H]2OC3=O	ZINC000100065237	EG	Annotated	Clean	in-man endogenous
CC(C)=CCc1cccc2[nH]cc(C[C@@H]3NC(=O)/C(=C(/C)O)C3=O)c12	ZINC000100066666	EG	Annotated	Mild	in-vitro
O=c1cc(CBr)c2cc3c4c(c2o1)CCCN4CCC3	ZINC000100080075	EG	Annotated	Reactive	in-vitro
FC(F)(F)CN1C[C@@H]2[C@@H](c3ccccc3)[C@H](C1)N2CC(F)(F)F	ZINC000100083040	EG	Annotated	Anodyne	
CN1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccc(Br)cc1	ZINC000100084302	EG	Annotated	Anodyne	
CN1[C@H]2CN(CC(F)(F)F)C[C@H]1C2c1ccc(Br)cc1	ZINC000100085015	EG	Annotated	Anodyne	
CN1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccc(Br)cc1	ZINC000100085017	EG	Annotated	Anodyne	
CN1[C@@H]2CN(CC(F)(F)F)C[C@@H]1C2c1ccc(Br)cc1	ZINC000100085018	EG	Annotated	Anodyne	
C[C@@H](CC(=O)Oc1cn(Cc2ccccc2)c2occ(O)c12)C(=O)O	ZINC000100087383	EG	Annotated	Anodyne	 
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@H]3C[C@H]12	ZINC000100089887	EG	Annotated	Mild	in-vitro
CC(C)NC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000100092758	EG	Annotated	Anodyne	
CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000100096208	EG	Annotated	Anodyne	
CC(C)NC(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000100096658	EG	Annotated	Anodyne	
Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CC4)C[C@@H]2N3)cc1	ZINC000100101612	EG	Annotated	Anodyne	
O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1	ZINC000100101709	EG	Annotated	Anodyne	
O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1	ZINC000100101739	EG	Annotated	Anodyne	
c1cncc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cccnc3)cc2)c1	ZINC000100101817	EG	Annotated	Anodyne	
Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CC4)C[C@@H]2N3)cc1	ZINC000100104881	EG	Annotated	Anodyne	
CCCNC(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000100106035	EG	Annotated	Anodyne	
c1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)nc1	ZINC000100106540	EG	Annotated	Anodyne	
O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1	ZINC000100106614	EG	Annotated	Anodyne	
O=C(C1CCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccncc2)cc1	ZINC000100106615	EG	Annotated	Anodyne	
C/C=C/c1ccc([C@@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1	ZINC000100106839	EG	Annotated	Anodyne	
C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1	ZINC000100106844	EG	Annotated	Anodyne	
c1cncc(-c2ccc([C@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1	ZINC000100107028	EG	Annotated	Anodyne	
c1cncc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1	ZINC000100107030	EG	Annotated	Anodyne	
C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1	ZINC000100107492	EG	Annotated	Anodyne	
C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1	ZINC000100107496	EG	Annotated	Anodyne	
c1ccc(CN2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3cccnc3)cc2)nc1	ZINC000100107918	EG	Annotated	Anodyne	
O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1	ZINC000100108227	EG	Annotated	Anodyne	
O=C(C1CC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1	ZINC000100108231	EG	Annotated	Anodyne	
c1cc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)ccn1	ZINC000100109148	EG	Annotated	Anodyne	
c1cc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)ccn1	ZINC000100114367	EG	Annotated	Anodyne	
c1cc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)ccn1	ZINC000100114553	EG	Annotated	Anodyne	
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC	ZINC000100191639	EG	Annotated	Mild	in-vitro
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O	ZINC000100198725	EG	Annotated	Mild	in-vitro
CCOC(=O)c1c(/C(C#N)=C/N)c2ccc(Cl)c(Cl)c2n1C	ZINC000100207789	EG	Annotated	Reactive	 
Cc1cc(O)c2c(O)c(O)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@@H](C)O1	ZINC000100236467	EG	Annotated	Mild	in-vitro
CCOC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(OC)cc1	ZINC000100249970	EG	Annotated	Clean	 
COc1ccc([C@H]2C[C@H]3C(Br)=C[C@H]2C(=O)[C@]32CO2)cc1	ZINC000100264566	EG	Annotated	Anodyne	
C/C(=C/C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(N)cc1	ZINC000100291671	EG	Annotated	Mild	 
CN(c1ccc(C(=O)O)cc1)c1cccc2nc3c(=O)cccc-3[nH]c12	ZINC000100302723	EG	Annotated	Bother	in-vitro
NC(=O)N1C(=O)/C(=C(/O)c2cccs2)c2cc(F)c(Cl)cc21	ZINC000100377826	EG	Annotated	Anodyne	in-man
CCOC(=O)/C(C(=O)c1ccccc1)=C(\N)C(Cl)(Cl)Cl	ZINC000100394226	EG	Annotated	Mild	 
Cc1nc(C2=C(C(F)(F)F)ON/C2=C2/C=CC(=O)C=C2O)cs1	ZINC000100429601	EG	Annotated	Mild	 
CC1=CC(=O)C=C(O)/C1=C1/ONC(C(F)(F)F)=C1c1cscn1	ZINC000100429782	EG	Annotated	Mild	 
C/N=C(\c1ccco1)n1c(=S)nc(-c2ccco2)n(C)c1=S	ZINC000100436563	EG	Annotated	Mild	 
CC(C)/N=c1\scc(-c2ccco2)n1N/C=C1/C=CC(=O)C(O)=C1	ZINC000100453099	EG	Annotated	Mild	
O=C1C=CC(/C=N\N/C(=C(\O)c2ccccc2)c2ccccc2)=CC1=O	ZINC000100476879	EG	Annotated	Mild	
O=C1C=CC(/C=N/N/C(=C(\O)c2ccccc2)c2ccccc2)=CC1=O	ZINC000100476883	EG	Annotated	Mild	 
C/C(NN1C(=O)c2ccccc2N[C@H]1c1ccco1)=C1/C=CC=CC1=O	ZINC000100483182	EG	Annotated	Mild	 
C/C(NN1C(=O)c2ccccc2N[C@@H]1c1ccco1)=C1/C=CC=CC1=O	ZINC000100483187	EG	Annotated	Mild	 
O=C1C=CC=C/C1=C\NC1=NN(c2cccc(C(F)(F)F)c2)CC1	ZINC000100486152	EG	Annotated	Mild	 
O=C1C=CC(Cl)=C/C1=C1\C=C(c2cccc(Br)c2)NN1	ZINC000100490185	EG	Annotated	Mild	 
COC1=CC=C/C(=C2\N=C(NC3CCCC3)c3ccccc3N2)C1=O	ZINC000100493438	EG	Annotated	Mild	 
Cc1cc(=O)c(C(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)c(O)o1	ZINC000100496699	EG	Annotated	Mild	
COC1=C/C(=C/c2c(-c3ccc(Cl)cc3)[nH]oc2=O)C=CC1=O	ZINC000100509955	EG	Annotated	Mild	 
COC1=C/C(=C/c2c(-c3ccccc3)[nH]oc2=O)C=C(Cl)C1=O	ZINC000100510586	EG	Annotated	Mild	 
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(C)cc1	ZINC000100515714	EG	Annotated	Clean	 
NC(=O)N1C(=O)/C(=C(\O)c2cccs2)c2cc(F)c(Cl)cc21	ZINC000100522111	EG	Annotated	Anodyne	in-man
CC1=C/C(=C2/C=C(c3cccc(Br)c3)NN2)C(=O)C=C1	ZINC000100527517	EG	Annotated	Mild	 
Cc1cccc(NC2=C(Cl)C(=O)O[C@@H]2OC(=O)c2ccco2)c1	ZINC000100548121	EG	Annotated	Anodyne	 
CC1=C(c2ccc(Br)cc2)/C(=C2\C=CC(=O)C=C2O)NN1	ZINC000100560216	EG	Annotated	Mild	
CCC1=C/C(=C2\NNC(C)=C2c2nc3ccccc3n2C)C(=O)C=C1O	ZINC000100567430	EG	Annotated	Mild	 
CCN(CC)c1ccc(/C=C/C2=N/C(=C3/C=CC=CC3=O)ON2)cc1	ZINC000100573835	EG	Annotated	Mild	
Cc1nc(C2=C(C(F)(F)F)NO/C2=C2/C=CC(=O)C=C2O)cs1	ZINC000100590892	EG	Annotated	Mild	 
Cc1[nH]n(-c2cccc(Cl)c2)c2nc(C(F)(F)F)nc(=O)c1-2	ZINC000100592050	EG	Annotated	Anodyne	 
Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2	ZINC000100621244	EG	Annotated	Anodyne	
O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(CO)ccc3C[C@@H]21	ZINC000100621261	EG	Annotated	Anodyne	
Nc1cc2c(cc1O)[C@H]1CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@H]1C2	ZINC000100621315	EG	Annotated	Anodyne	
O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1cc(F)cc(F)c1F	ZINC000100625824	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1	ZINC000100654040	EG	Annotated	Anodyne	
COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1	ZINC000100654044	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1	ZINC000100654048	EG	Annotated	Anodyne	
COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]1[C@@H]1CC[C@@H]2C1	ZINC000100654054	EG	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2CCCc3cc(F)cc1c32	ZINC000100658331	EG	Annotated	Anodyne	
Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Cc4cccc2c43)no1	ZINC000100658638	EG	Annotated	Anodyne	
CCOC(=O)C(=O)/C=C/C(SCc1ccccc1)=C(\O)OCC	ZINC000100661384	EG	Annotated	Mild	
Clc1cc(/N=N/N2CCCC2)cc(Cl)c1NC1=NCCN1	ZINC000100688216	EG	Annotated	Clean	
COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc1	ZINC000100703044	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(O)nc(O)c32)cc1	ZINC000100703046	EG	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccccc1Cl	ZINC000100704144	EG	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccccc1Cl	ZINC000100704145	EG	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1ccc(Cl)cc1	ZINC000100704149	EG	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1ccc(Cl)cc1	ZINC000100704151	EG	Annotated	Anodyne	 
C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1cccs1	ZINC000100707992	EG	Annotated	Mild	 
C=CCO/C(O)=C1/C(C)=Nc2nc(O)nc(O)c2[C@H]1c1cccs1	ZINC000100707994	EG	Annotated	Mild	 
O=C1CC(=O)C([N+]2=CCc3ccccc32)=C1n1ccc2ccccc21	ZINC000100724567	EG	Annotated	Mild	 
O=S(=O)(OC1=C(c2cccc3c2NCC3)CCC1)C(F)(F)F	ZINC000100724797	EG	Annotated	Unstable	 
O=S(=O)(OC1=CCC[C@H]1c1cccc2c1NCC2)C(F)(F)F	ZINC000100724804	EG	Annotated	Unstable	 
O=S(=O)(OC1=CCC[C@@H]1c1cccc2c1NCC2)C(F)(F)F	ZINC000100724806	EG	Annotated	Unstable	 
Cn1nc[n+]2c1[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1	ZINC000100726780	EG	Annotated	Anodyne	
Cn1nc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1	ZINC000100726789	EG	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccn(C)c32)C1(C)C	ZINC000100726805	EG	Annotated	Anodyne	
CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccn(C)c32)C1(C)C	ZINC000100726806	EG	Annotated	Anodyne	
c1ccc2c(c1)[C@@H]1CC(c3cocn3)(c3cocn3)[C@@H]2c2cccc[n+]21	ZINC000100729170	EG	Annotated	Anodyne	
c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1cocn1)c1cocn1	ZINC000100729180	EG	Annotated	Anodyne	
C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC[C@H]3C(=O)O)[C@@H]2CC/C(C)=C/CC1	ZINC000100734922	EG	Annotated	Anodyne	in-vitro biogenic
CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\[C@@H]1CCc2ccccc2C1	ZINC000100756582	EG	Annotated	Mild	
CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\[C@H]1CCc2ccccc2C1	ZINC000100756584	EG	Annotated	Mild	
CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1ccnc2ccccc12	ZINC000100756723	EG	Annotated	Mild	
CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1c(O)ccc2ccccc12	ZINC000100756909	EG	Annotated	Mild	
C[C@@H]1CC[C@@](C)(/N=N\c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000100761410	EG	Annotated	Clean	
C[C@H]1CC[C@@](C)(/N=N\c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000100761412	EG	Annotated	Clean	
CN(C)/C=N/c1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1	ZINC000100768761	EG	Annotated	Mild	
CN1CC[C@@]23c4ccccc4N[C@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21	ZINC000100771932	EG	Annotated	Anodyne	in-man endogenous
CN1CC[C@@]23c4ccccc4N[C@H]1[C@@]21CCN(C)[C@H]3Nc2ccccc21	ZINC000100771937	EG	Annotated	Anodyne	in-man endogenous
C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13	ZINC000100773285	EG	Annotated	Anodyne	in-man endogenous
C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@H]13	ZINC000100773286	EG	Annotated	Anodyne	in-man endogenous
C/C=C1/[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@@]21CC3	ZINC000100773288	EG	Annotated	Anodyne	in-man endogenous
C/C=C1/[C@@H]2N3CC[C@@H]1C[C@@H]1N(C(C)=O)c4c(OC)cccc4[C@@]21CC3	ZINC000100773290	EG	Annotated	Anodyne	in-man endogenous
CC[C@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13	ZINC000100773291	EG	Annotated	Anodyne	in-man endogenous
CC[C@@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13	ZINC000100773293	EG	Annotated	Anodyne	in-man endogenous
CC[C@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000100773294	EG	Annotated	Anodyne	in-man endogenous
CC[C@@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000100773296	EG	Annotated	Anodyne	in-man endogenous
COc1ccc([C@@H]2Nc3cc(OC)c(OC)cc3C(C)=[N+]2[O-])cc1	ZINC000100773829	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C	ZINC000100776782	EG	Annotated	Anodyne	in-man endogenous
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C	ZINC000100776783	EG	Annotated	Anodyne	in-man endogenous
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C	ZINC000100776789	EG	Annotated	Anodyne	in-man endogenous
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@]21C	ZINC000100776791	EG	Annotated	Anodyne	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC3=O	ZINC000100780315	EG	Annotated	Clean	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@H]2OC3=O	ZINC000100780317	EG	Annotated	Clean	in-man endogenous
C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780429	EG	Annotated	Mild	in-man endogenous
C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780431	EG	Annotated	Mild	in-man endogenous
C=C1C(=O)O[C@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000100780433	EG	Annotated	Mild	in-man endogenous
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	ZINC000100781433	EG	Annotated	Mild	in-man endogenous
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	ZINC000100781435	EG	Annotated	Mild	in-man endogenous
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1	ZINC000100783621	EG	Annotated	Mild	in-man endogenous
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@@]23C(=O)O1	ZINC000100783622	EG	Annotated	Mild	in-man endogenous
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1	ZINC000100783623	EG	Annotated	Mild	in-man endogenous
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@@]23C(=O)O1	ZINC000100783624	EG	Annotated	Mild	in-man endogenous
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N	ZINC000100784160	EG	Annotated	Clean	in-man
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N	ZINC000100784162	EG	Annotated	Clean	in-man
O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cnccc12	ZINC000100790441	EG	Annotated	Anodyne	
CN(C)/C(CC(C)(C)C)=N/C(=N/c1ccccc1)N1CCOCC1	ZINC000100792750	EG	Annotated	Mild	
CN(C)/C(=N/C(=N/c1ccccc1)N1CCOCC1)c1ccccc1	ZINC000100794378	EG	Annotated	Mild	
CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c-2c1CC	ZINC000100806155	EG	Annotated	Anodyne	
CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1O	ZINC000100807897	EG	Annotated	Clean	
CN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1	ZINC000100817496	EG	Annotated	Anodyne	
CCN(C(=O)c1c(O)c2c(F)cccc2n(C)c1=O)c1ccccc1	ZINC000100819327	EG	Annotated	Anodyne	
CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000100827238	EG	Annotated	Anodyne	 
CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@H](C)[C@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000100827239	EG	Annotated	Anodyne	 
O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1ncccc12	ZINC000100830430	EG	Annotated	Anodyne	
CCCCCC1=C(N2CC2)C(=O)C(CCCCC)=C(N2CC2)C1=O	ZINC000100836279	EG	Annotated	Mild	
CC1(C)CC(=O)C(C2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)C1	ZINC000100836884	EG	Annotated	Mild	
CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@@H]2CC[C@H]3CCCC[C@@]13OO2	ZINC000100860125	EG	Annotated	Reactive	
CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@H]2CC[C@H]3CCCC[C@]13OO2	ZINC000100860126	EG	Annotated	Reactive	
CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@@H]1O4	ZINC000100863907	EG	Annotated	Reactive	
CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4	ZINC000100863909	EG	Annotated	Reactive	
Cc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@@H](C3)N4C)c1)OC(C)(C)C2	ZINC000100868743	EG	Annotated	Anodyne	
Cc1cc2c(c(C(=O)NC3C[C@H]4CC[C@H](C3)N4C)c1)OC(C)(C)C2	ZINC000100868744	EG	Annotated	Anodyne	
COc1cccc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCO4)c1	ZINC000100869337	EG	Annotated	Anodyne	
COc1cccc([C@@H]2C3=C(O)OCC3=Nc3cc4c(cc32)OCO4)c1	ZINC000100869340	EG	Annotated	Anodyne	
CN1[C@H]2CC[C@H]1CC(NC(=O)c1c(Cl)ccc3c1OC(C)(C)C3)C2	ZINC000100870339	EG	Annotated	Anodyne	
CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1c(Cl)ccc3c1OC(C)(C)C3)C2	ZINC000100870342	EG	Annotated	Anodyne	
C=C1ON=C2N1C(C)=CS[C@]2(O)c1ccc(Br)cc1	ZINC000100887082	EG	Annotated	Anodyne	
C=C1ON=C2N1C(C)=CS[C@@]2(O)c1ccc(Br)cc1	ZINC000100887084	EG	Annotated	Anodyne	
O=C(O)Cc1cccc2c(=O)c3c(oc12)-c1ccccc1NC(=O)N3	ZINC000100898784	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000100899519	EG	Annotated	Mild	in-vitro
CC(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@@H]1C(C)C	ZINC000100899678	EG	Annotated	Anodyne	in-vitro
N=C(N)SCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)CC2)CC1	ZINC000100899942	EG	Annotated	Anodyne	
CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)CO[C@H](CC(=O)O)CO1	ZINC000100907296	EG	Annotated	Anodyne	 
CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CC(=O)O)CO1	ZINC000100907300	EG	Annotated	Anodyne	 
CCN1/C(=C\C=C2\C(=O)N(C)C(=S)N2C)Sc2ccccc21	ZINC000100910438	EG	Annotated	Anodyne	 
CO[C@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2	ZINC000100921511	EG	Annotated	Reactive	
CO[C@]12CCC[C@@H](C1)[C@H](I)C(C)(C)OO2	ZINC000100921513	EG	Annotated	Reactive	
CO[C@]12CCC[C@@H](C1)C[C@](C)(CI)OO2	ZINC000100921640	EG	Annotated	Reactive	
CO[C@@]12CCC[C@H](C[C@@](C)(CI)OO1)C2	ZINC000100921642	EG	Annotated	Reactive	
CONc1nc2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)O	ZINC000100942082	EG	Annotated	Bother	
CN(C)CCCN(C1=CC(=O)C(=O)c2ccccc21)c1ccccc1	ZINC000100949975	EG	Annotated	Mild	
N[P@@](=O)(OCc1ccc(F)cc1F)N(CCCl)CCCl	ZINC000100950141	EG	Annotated	Reactive	 
CC[C@@]12CCN(CC3CC3)[C@H](C(=O)c3ccc(NC=O)cc31)[C@@H]2C	ZINC000100952842	EG	Annotated	Anodyne	
COC(=O)c1ccc(C(=O)[C@H]2C(=S)N(C)c3ccccc32)cc1	ZINC000100957568	EG	Annotated	Anodyne	
CCN1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4	ZINC000100971684	EG	Annotated	Anodyne	
CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@@H](CC)C(=O)N1CC1CC1	ZINC000100971740	EG	Annotated	Clean	
CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@H](CC)C(=O)N1CC1CC1	ZINC000100971747	EG	Annotated	Clean	
CC[C@H]1C(=O)N(CC2CC2)c2sc3cc(C)c(C)cc3[n+]2C1=O	ZINC000100974883	EG	Annotated	Clean	
CC[C@@H]1C(=O)N(CC2CC2)c2sc3cc(C)c(C)cc3[n+]2C1=O	ZINC000100974888	EG	Annotated	Clean	
O=C(NCc1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1	ZINC000100979056	EG	Annotated	Anodyne	 
O=C(NCc1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1	ZINC000100979063	EG	Annotated	Anodyne	 
CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@H]2Cc1ccc(CO)cc1	ZINC000100999801	EG	Annotated	Reactive	
CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(CO)cc1	ZINC000100999802	EG	Annotated	Reactive	
CN1C(c2c[nH]c3ccccc23)=C(O)c2ccccc2S1(=O)=O	ZINC000101002632	EG	Annotated	Anodyne	
CCO/C(O)=C1/C(=O)CC2=C(C(=O)OC2)[C@H]1c1ccccc1Cl	ZINC000101007600	EG	Annotated	Mild	
CCO/C(O)=C1/C(=O)CC2=C(C(=O)OC2)[C@@H]1c1ccccc1Cl	ZINC000101007603	EG	Annotated	Mild	
O=S(=O)(NC1[C@H]2CC[C@H]1Cc1ccccc1C2)c1ccccc1F	ZINC000101012434	EG	Annotated	Anodyne	
O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1ccccc1F	ZINC000101012438	EG	Annotated	Anodyne	
O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1cccs1	ZINC000101012454	EG	Annotated	Anodyne	
CC(C)(C)CC/N=c1/c(-c2ccc(Br)cc2)c(O)c1=O	ZINC000101022971	EG	Annotated	Anodyne	
O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12	ZINC000101027469	EG	Annotated	Bother	
O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12	ZINC000101027471	EG	Annotated	Bother	
Cc1cccc(S(=O)(=O)NC2[C@@H]3CC[C@@H]2Cc2ccccc2C3)c1	ZINC000101027575	EG	Annotated	Anodyne	
Cc1cccc(S(=O)(=O)NC2[C@H]3CC[C@H]2Cc2ccccc2C3)c1	ZINC000101027577	EG	Annotated	Anodyne	
COc1ccc(-c2[nH]nc3nnc(N)c-3c2-c2ccc(OC)cc2)cc1	ZINC000101030927	EG	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)/C1=C/C=C1\C=COC1=O	ZINC000101042310	EG	Annotated	Mild	
C=CCNC(=O)[C@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O	ZINC000101052137	EG	Annotated	Mild	
C=CCNC(=O)[C@@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O	ZINC000101052140	EG	Annotated	Mild	
C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC/C(C)=C/CC1	ZINC000101056449	EG	Annotated	Anodyne	
O=c1c2ccccc2c(=O)c2c1c(O)cc1[nH]c3ccccc3[nH]c12	ZINC000101100279	EG	Annotated	Clean	in-vivo
CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CCNCC1	ZINC000101109539	EG	Annotated	Anodyne	
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=[N+](/C)[O-]	ZINC000101122682	EG	Annotated	Mild	
COc1c(C)c(O)c(C(=O)/C=C(\O)c2ccccc2)c(O)c1C=O	ZINC000101135071	EG	Annotated	Mild	in-vitro biogenic
O=S(=O)(N[C@@H]1[C@@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1	ZINC000101140237	EG	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1	ZINC000101140242	EG	Annotated	Anodyne	
C[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12	ZINC000101141935	EG	Annotated	Anodyne	
C[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12	ZINC000101141941	EG	Annotated	Anodyne	
CC(/C=C/C(=O)C1=C(O)CN(C)C1=O)=C\c1cnc2ccccc2c1	ZINC000101157304	EG	Annotated	Mild	
COc1c(C)c(O)c(/C(O)=C/C(=O)c2ccccc2)c(O)c1C=O	ZINC000101226052	EG	Annotated	Mild	
CCCCc1c(O)c2cccnc2n(-c2ccc([C@@H](C)O)cc2)c1=O	ZINC000101239034	EG	Annotated	Anodyne	
CCCCc1c(O)c2cccnc2n(-c2ccc([C@H](C)O)cc2)c1=O	ZINC000101239038	EG	Annotated	Anodyne	
CCN(C(=O)c1c(O)c2c(C)cccc2n(C)c1=O)c1ccccc1	ZINC000101245235	EG	Annotated	Anodyne	
Cc1ccc2c(c1)C(=O)/C(=C(\S)N(C)c1ccccc1)C(=O)N2C	ZINC000101253037	EG	Annotated	Mild	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000101268608	EG	Annotated	Reactive	
CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2	ZINC000101270505	EG	Annotated	Mild	
CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2	ZINC000101270508	EG	Annotated	Mild	
CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2	ZINC000101270510	EG	Annotated	Mild	
CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2	ZINC000101270513	EG	Annotated	Mild	
CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4	ZINC000101274606	EG	Annotated	Reactive	
CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4	ZINC000101274608	EG	Annotated	Reactive	
Cc1cncn1CCCN/C(=C\[N+](=O)[O-])Nc1ccc(Cl)cc1	ZINC000101285205	EG	Annotated	Anodyne	
CC[C@H]1C(=O)N(CC2CC2)c2scc(-c3ccccc3)[n+]2C1=O	ZINC000101330679	EG	Annotated	Clean	
CC[C@@H]1C(=O)N(CC2CC2)c2scc(-c3ccccc3)[n+]2C1=O	ZINC000101330682	EG	Annotated	Clean	
CC[C@H]1C(=O)N(CC2CCCC2)c2sc3ccccc3[n+]2C1=O	ZINC000101348947	EG	Annotated	Clean	
CC[C@@H]1C(=O)N(CC2CCCC2)c2sc3ccccc3[n+]2C1=O	ZINC000101348951	EG	Annotated	Clean	
CSc1ccc2c(c1)c(O)c(C(=O)c1ccccc1)c(=O)n2C	ZINC000101349014	EG	Annotated	Anodyne	
c1ccc2c3cc[nH]c(N4CCN(N5CCCCC5)CC4)c-3nc2c1	ZINC000101354032	EG	Annotated	Anodyne	
CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000101354837	EG	Annotated	Mild	 
CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000101354840	EG	Annotated	Mild	 
CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000101354845	EG	Annotated	Mild	
CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000101354850	EG	Annotated	Mild	 
C/C1=C\CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1	ZINC000101368947	EG	Annotated	Anodyne	
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ncccc2C#N)c1	ZINC000101387118	EG	Annotated	Mild	
N#Cc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)nc(-c2ccccc2C#N)c1	ZINC000101387239	EG	Annotated	Mild	
C/C1=C\CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1	ZINC000101391139	EG	Annotated	Anodyne	
C/C1=C\[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC/C(C)=C/CC1	ZINC000101402976	EG	Annotated	Anodyne	
O=c1cc(CCl)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12	ZINC000101404844	EG	Annotated	Reactive	
COC1=C(C)C(=O)/C(=C(O)/C=C/c2ccc(O)cc2)C(=O)C1(C)C	ZINC000101409653	EG	Annotated	Mild	
Cc1ccc(NC2=NC(=O)/C(=C3\C(=O)Nc4ccccc43)S2)cc1	ZINC000101416754	EG	Annotated	Clean	 
CSc1nn(-c2ccccc2)c2cc(N3C[C@@H]4C[C@@H]3CN4)ccc12	ZINC000101430173	EG	Annotated	Anodyne	
CN=[S@](C)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1	ZINC000101432423	EG	Annotated	Anodyne	
CCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N(CC)CC)cc1	ZINC000101448542	EG	Annotated	Clean	 
C/C(=N\c1ccc2c(c1)nc(CO)n2C)C1=C(O)CC(C)(C)CC1=O	ZINC000101466565	EG	Annotated	Mild	 
O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@@H](C3)N1	ZINC000101471527	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C3)N1	ZINC000101471535	EG	Annotated	Anodyne	
CO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000101480487	EG	Annotated	Anodyne	 
CO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1Cl	ZINC000101480489	EG	Annotated	Anodyne	 
C[C@@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1	ZINC000101487190	EG	Annotated	Mild	 
C[C@H]1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1	ZINC000101487192	EG	Annotated	Mild	 
CSc1ccc2c(c1)c(O)c(C(=O)Nc1ccccc1)c(=O)n2C	ZINC000101491759	EG	Annotated	Anodyne	
C#CCn1c(O)c(/N=N/C(=O)[C@H](O)c2ccccc2)c2ccccc21	ZINC000101492468	EG	Annotated	Mild	
C#CCn1c(O)c(/N=N/C(=O)[C@@H](O)c2ccccc2)c2ccccc21	ZINC000101492470	EG	Annotated	Mild	
CC/C(=N\c1ccc(N)cc1)C1=C(O)[C@H](C(=O)OC)C(C)(C)CC1=O	ZINC000101500277	EG	Annotated	Mild	
CC/C(=N\c1ccc(N)cc1)C1=C(O)[C@@H](C(=O)OC)C(C)(C)CC1=O	ZINC000101500278	EG	Annotated	Mild	
CC1=C2CC[C@H](C)[C@]23C(=O)O[C@@H]1[C@]12C(=O)O[C@@H]3C(C)=C1CC[C@@H]2C	ZINC000101502396	EG	Annotated	Anodyne	
O=C1OC2(CCCCC2)OC(O)=C1/C=N/c1ccc2c(c1)OCO2	ZINC000101505632	EG	Annotated	Mild	 
CCOC(=O)C/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1	ZINC000101506352	EG	Annotated	Anodyne	
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12	ZINC000101506686	EG	Annotated	Mild	 
CSC1=NC(=O)/C(=C/c2c[nH]c3cccc(Br)c23)N1	ZINC000101514081	EG	Annotated	Anodyne	
CSC1=NC(=O)/C(=C/c2c[nH]c3c(Br)cccc23)N1	ZINC000101514094	EG	Annotated	Anodyne	
CSC1=NC(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)N1	ZINC000101514099	EG	Annotated	Anodyne	
C/C1=C\C=C(\[C@@](C)(O)CO)CC(=O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1	ZINC000101533784	EG	Annotated	Mild	 
C=C1CC[C@@H]2CCC3=C([C@@H](C[C@]4(C)O[C@H]4[C@@H](O)C1)OC3=O)C2(C)C	ZINC000101535983	EG	Annotated	Mild	
CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1	ZINC000101550726	EG	Annotated	Mild	
CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1NCc1ccccc1	ZINC000101550731	EG	Annotated	Mild	
N[C@@H]1CC[C@@H](Nc2cc(NCc3ccccc3)n3nccc3n2)CC1	ZINC000101556719	EG	Annotated	Anodyne	
CC1=C2CC[C@H](C)[C@]23C(=O)O[C@@H]1[C@]12C(=O)O[C@@H]3C(C)=C1CC[C@H]2C	ZINC000101565846	EG	Annotated	Anodyne	
Cn1c(O)c(/N=N/C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	ZINC000101571309	EG	Annotated	Clean	
Cn1c(O)c(/N=N/C(=O)[C@H]2COc3ccccc3O2)c2ccccc21	ZINC000101571313	EG	Annotated	Clean	
C=C1CC[C@@](C)(C=O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12	ZINC000101572266	EG	Annotated	Mild	
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12	ZINC000101576078	EG	Annotated	Mild	
COc1ccccc1/C=C/C=N/[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C	ZINC000101584395	EG	Annotated	Mild	 
C/C(=N\O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2	ZINC000101588770	EG	Annotated	Mild	
Cc1nc(N)sc1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000101602022	EG	Annotated	Clean	
CCCCN/C=C1/C=C(C=O)c2c(ccc3c(C)cc(=O)oc23)C1=O	ZINC000101608893	EG	Annotated	Reactive	
CC1=Nc2ncnn2[C@H](c2cccnc2)/C1=C(\O)OCc1ccccc1	ZINC000101618603	EG	Annotated	Anodyne	 
CC1=Nc2ncnn2[C@@H](c2cccnc2)/C1=C(\O)OCc1ccccc1	ZINC000101618607	EG	Annotated	Anodyne	 
CC1=Nc2ncnn2[C@H](c2cccnc2)/C1=C(\O)OC1CCCCC1	ZINC000101626984	EG	Annotated	Anodyne	 
CC1=Nc2ncnn2[C@@H](c2cccnc2)/C1=C(\O)OC1CCCCC1	ZINC000101626987	EG	Annotated	Anodyne	 
O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2	ZINC000101627089	EG	Annotated	Reactive	
O=C(NNc1cccc2ncccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	ZINC000101627097	EG	Annotated	Reactive	
CCOC(=O)c1cc2c(oc1=O)-c1cn(Cc3ccccc3)cc1CC2	ZINC000101628994	EG	Annotated	Anodyne	
COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1	ZINC000101632572	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@H]1c1ccccc1	ZINC000101632576	EG	Annotated	Mild	
COC(=O)[C@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1	ZINC000101632579	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(NCCc2ccccc2)C[C@@H]1c1ccccc1	ZINC000101632582	EG	Annotated	Mild	
Cn1/c(=N/NC(=O)C(C)(C)C)sc2cc(OC(F)(F)F)ccc21	ZINC000101635531	EG	Annotated	Reactive	
CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C/c1ccccc1Cl	ZINC000101637869	EG	Annotated	Mild	 
CC(=O)/C(=C(\C)O)[C@@H]1c2ccccc2O[C@H](C(F)(F)F)[C@@H]1[N+](=O)[O-]	ZINC000101640920	EG	Annotated	Mild	 
C=C[C@@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O	ZINC000101640934	EG	Annotated	Mild	
CC1(C)[C@H]2C[C@@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)/C(=N/O)C[C@H]21	ZINC000101645346	EG	Annotated	Mild	 
CC1(C)[C@@H]2C/C(=N\O)[C@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)C[C@H]21	ZINC000101645354	EG	Annotated	Mild	 
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3	ZINC000101646793	EG	Annotated	Anodyne	
CC(C)=CN1Cc2c(Br)ccc3[nH]c(=O)n(c23)C[C@@H]1C	ZINC000101647698	EG	Annotated	Anodyne	
O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1	ZINC000101650459	EG	Annotated	Clean	 
O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1	ZINC000101650464	EG	Annotated	Clean	 
Cc1ccc(C2OOC(c3ccc(/C=N\CCO)cc3)OO2)cc1	ZINC000101651518	EG	Annotated	Reactive	
C=C[C@]1(C)CC[C@H]2C(C)(C)[C@H]3C=C4C=C(OC)OC(=O)[C@@H]1[C@@]42OC3=O	ZINC000101652821	EG	Annotated	Mild	
CCCC1=Nc2ncnn2[C@H](c2ccc(O)cc2)/C1=C(\O)OCC	ZINC000101657474	EG	Annotated	Anodyne	 
CCCC1=Nc2ncnn2[C@@H](c2ccc(O)cc2)/C1=C(\O)OCC	ZINC000101657478	EG	Annotated	Anodyne	 
O=C(CC12C[C@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO	ZINC000101666165	EG	Annotated	Bother	
O=C(CC12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO	ZINC000101666169	EG	Annotated	Bother	
CC/C=C\C[C@H]1C(=O)C(I)=C[C@H]1CC(=O)OC	ZINC000101674304	EG	Annotated	Mild	
CC/C=C\C[C@@H]1C(=O)C(I)=C[C@H]1CC(=O)OC	ZINC000101674307	EG	Annotated	Mild	
CC/C=C\C[C@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC	ZINC000101674311	EG	Annotated	Mild	
CCOC(=O)c1cc2c(oc1=O)-c1cn(-c3ccccc3)cc1CC2	ZINC000101675873	EG	Annotated	Anodyne	
C[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O	ZINC000101678222	EG	Annotated	Anodyne	
C[C@H]1CCC[C@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O	ZINC000101678261	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O	ZINC000101678264	EG	Annotated	Anodyne	
C[C@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O	ZINC000101678281	EG	Annotated	Anodyne	
C[C@H]1CCC[C@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O	ZINC000101678317	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@@H]1N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O	ZINC000101678319	EG	Annotated	Anodyne	
Cc1c(/N=N/C2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000101679562	EG	Annotated	Mild	 
CCOC(=O)c1c(O)c2cc(Cc3ccccc3)ccc2n(C)c1=O	ZINC000101681034	EG	Annotated	Anodyne	
CO[C@]12C=C(Br)[C@@H](C[C@H]1c1cccc(C)c1)[C@]1(CO1)C2=O	ZINC000101686233	EG	Annotated	Anodyne	
CO[C@]12C=C(Br)[C@@H](C[C@@H]1c1cccc(C)c1)[C@]1(CO1)C2=O	ZINC000101686237	EG	Annotated	Anodyne	
COc1ccccc1[C@H]1C2=C(O)OCC2=Nc2cc3c(cc21)OCO3	ZINC000101697378	EG	Annotated	Anodyne	
COc1ccccc1[C@@H]1C2=C(O)OCC2=Nc2cc3c(cc21)OCO3	ZINC000101697382	EG	Annotated	Anodyne	
CCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccco2)c2ccccc21	ZINC000101698745	EG	Annotated	Clean	 
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C/CC[C@]2(C)O	ZINC000101721401	EG	Annotated	Mild	
CCc1ccccc1NC(=O)N1[C@@H]2CCC[C@@H]1CC(NC(C)=O)C2	ZINC000101723322	EG	Annotated	Anodyne	 
CCc1ccccc1NC(=O)N1[C@H]2CCC[C@H]1CC(NC(C)=O)C2	ZINC000101723327	EG	Annotated	Anodyne	 
N/C(=N\c1ccc(C(=O)O)cc1)N1Cc2cccc3c2[C@@H](CCC3)C1	ZINC000101745407	EG	Annotated	Mild	
N/C(=N\c1ccc(C(=O)O)cc1)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000101745411	EG	Annotated	Mild	
O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccc(Cl)c(Cl)c1	ZINC000101752103	EG	Annotated	Anodyne	 
O=C(CCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2ccccc12	ZINC000101752115	EG	Annotated	Clean	
Cc1sc2c(c1C)C(O)=C(/C=N/c1ccncc1)S(=O)(=O)N2C	ZINC000101754191	EG	Annotated	Mild	 
COC(=O)Cc1nn(-c2ccccc2)c(O)c1/C(C)=N/c1ccccc1	ZINC000101756771	EG	Annotated	Mild	 
CC[C@]1(C)Cc2c(c(S)n(-c3ccccc3)c(=N)c2C#N)CO1	ZINC000101764433	EG	Annotated	Mild	
CC[C@@]1(C)Cc2c(c(S)n(-c3ccccc3)c(=N)c2C#N)CO1	ZINC000101764438	EG	Annotated	Mild	
COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O	ZINC000101779458	EG	Annotated	Anodyne	 
COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O	ZINC000101779461	EG	Annotated	Anodyne	 
COc1ccc(OC)c2c1C[C@H]1NC[C@H]2c2c(OC)ccc(OC)c21	ZINC000101782866	EG	Annotated	Anodyne	
COc1ccc(OC)c2c1C[C@@H]1NC[C@@H]2c2c(OC)ccc(OC)c21	ZINC000101782872	EG	Annotated	Anodyne	
Cc1ccccc1NC1=C(Cl)C(=O)O[C@H]1NC(=O)c1ccccc1	ZINC000101784930	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[S@](C)(=O)=NC(Nc1ccccc1)=N2	ZINC000101805913	EG	Annotated	Anodyne	
COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1OC	ZINC000101826030	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)cc1OC	ZINC000101826035	EG	Annotated	Anodyne	 
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccccc1	ZINC000101833628	EG	Annotated	Clean	 
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000101851063	EG	Annotated	Mild	
CCCC1=Nc2nc(C)nn2[C@@H](c2cccnc2)/C1=C(\O)OCC	ZINC000101863837	EG	Annotated	Anodyne	
CCCCOCCCn1cnc2c3ccc(OC)cc3nc-2c1O	ZINC000101867491	EG	Annotated	Anodyne	 
Cc1sc2c(c1C)C(O)=C(/C=N/c1ccccn1)S(=O)(=O)N2C	ZINC000101869963	EG	Annotated	Mild	 
CN1c2ccccc2C(O)=C(/C=N/c2ccc(F)cc2)S1(=O)=O	ZINC000101870018	EG	Annotated	Mild	 
Cc1nc2c(c3c1C(=O)C(Nc1ccccc1)=CC3=O)C(=O)CCC2	ZINC000101903436	EG	Annotated	Mild	
COc1cccc(/N=N/c2c(N)nn3c(O)c4c(nc23)CCCC4)c1	ZINC000101918351	EG	Annotated	Clean	
COc1ccc(OC)c(/N=C/C2=C(O)OC3(CCCCC3)OC2=O)c1	ZINC000101931886	EG	Annotated	Mild	 
O=C(NCC/N=C/c1c(O)ccc2ccccc12)c1ccccc1O	ZINC000101936332	EG	Annotated	Mild	 
CCOC(=O)C(/C=N/c1cc(C)nn1-c1ccccc1)=C(/O)OCC	ZINC000101937051	EG	Annotated	Mild	 
Cn1c(/C(C#N)=C(\O)c2ccc([N+](=O)[O-])s2)nc2ccccc21	ZINC000101943097	EG	Annotated	Reactive	
O=C1CCCC2=C1[C@H](c1ccccc1Cl)N=C(c1cnccn1)N2	ZINC000101944313	EG	Annotated	Mild	
Cc1nn(-c2ccccc2)c(O)c1/C=N/c1ccc2[nH]c(O)nc2c1	ZINC000101944547	EG	Annotated	Mild	
Cc1cc(O)nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C#N	ZINC000101952902	EG	Annotated	Mild	 
Cc1cc(O)nc(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C#N	ZINC000101952904	EG	Annotated	Mild	 
Cc1cc(O)nc(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C#N	ZINC000101952909	EG	Annotated	Mild	 
Cc1cc(O)nc(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C#N	ZINC000101952911	EG	Annotated	Mild	 
Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1C21CC1	ZINC000101955398	EG	Annotated	Anodyne	
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@@H]1C21CC1	ZINC000101955402	EG	Annotated	Anodyne	
O=C(Cn1ccc(C(F)(F)F)n1)/N=N/c1c(O)[nH]c2ccccc12	ZINC000101955450	EG	Annotated	Clean	
COc1ccc(/C(O)=C/C2=NC[C@@H]3c4ccccc4CCN3C2=O)cc1	ZINC000101962263	EG	Annotated	Anodyne	
COc1ccc(/C(O)=C/C2=NC[C@H]3c4ccccc4CCN3C2=O)cc1	ZINC000101962269	EG	Annotated	Anodyne	
C[C@@H]1[C@@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2	ZINC000101964806	EG	Annotated	Anodyne	
CCN1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21	ZINC000101979220	EG	Annotated	Mild	
CCN1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@@H]21	ZINC000101979223	EG	Annotated	Mild	
O=C1OCC(Nc2ccccn2)=C1c1ccc(Br)cc1	ZINC000101994267	EG	Annotated	Anodyne	
COC1=C(OC)C2=C(CC1)CC1=[N+](CCC3=C1CC1=C(C3)OCO1)C2	ZINC000102015055	EG	Annotated	Anodyne	
O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2CCC[C@@H]1c1cnoc1C2	ZINC000102024882	EG	Annotated	Anodyne	
COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](O)C2=O	ZINC000102025589	EG	Annotated	Anodyne	 
COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](O)C2=O	ZINC000102025591	EG	Annotated	Anodyne	 
CC(C)[C@@]12/C=C/[C@@](C)(O)C/C=C/[C@](C)(O)CC/C=C(\CC1)C(=O)O2	ZINC000102064569	EG	Annotated	Anodyne	 
O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)N1CCCCC1	ZINC000102169036	EG	Annotated	Anodyne	 
CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1	ZINC000102185372	EG	Annotated	Anodyne	
N=c1c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2ncn1N	ZINC000102260880	EG	Annotated	Anodyne	
COc1cc(NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1	ZINC000102281492	EG	Annotated	Anodyne	 
COc1cc(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc(OC)c1	ZINC000102281496	EG	Annotated	Anodyne	 
O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\C(S)=N/C[C@@H]3CCCO3)c2c1	ZINC000102391063	EG	Annotated	Mild	
C#CCn1c(O)c(/N=N\C(=O)[C@H](O)c2ccccc2)c2ccccc21	ZINC000102397268	EG	Annotated	Mild	
C#CCn1c(O)c(/N=N\C(=O)[C@@H](O)c2ccccc2)c2ccccc21	ZINC000102397271	EG	Annotated	Mild	
C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C/O)C(=O)CC[C@@H]32)C1	ZINC000102401034	EG	Annotated	Mild	
C[C@]1([C@@H](O)CO)CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C/O)C(=O)CC[C@@H]32)C1	ZINC000102401038	EG	Annotated	Mild	
CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)C=CC=C3CO	ZINC000102401472	EG	Annotated	Anodyne	
CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C\c1ccccc1Cl	ZINC000102403578	EG	Annotated	Mild	 
CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C\c1ccccc1Cl	ZINC000102403581	EG	Annotated	Mild	 
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C1=C[C@H](O)OC1=O	ZINC000102418582	EG	Annotated	Mild	
Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)(C)C)C=C3C=O	ZINC000102418592	EG	Annotated	Reactive	
CC[C@@H](C)/N=C\c1c(NCc2ccco2)nc2c(C)cccn2c1=O	ZINC000102481433	EG	Annotated	Mild	 
CC[C@H](C)/N=C\c1c(NCc2ccco2)nc2c(C)cccn2c1=O	ZINC000102481437	EG	Annotated	Mild	 
COc1cccc([C@@H]2/C(=C(/O)OC(C)C)C(C)=Nc3ncnn32)c1	ZINC000102655047	EG	Annotated	Anodyne	 
COc1cccc([C@H]2/C(=C(/O)OC(C)C)C(C)=Nc3ncnn32)c1	ZINC000102655053	EG	Annotated	Anodyne	 
CCn1c(O)c(/N=N\C(=O)CNC(=O)c2ccco2)c2ccccc21	ZINC000102667589	EG	Annotated	Clean	 
Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@H]3C2=O)cc1C	ZINC000102683018	EG	Annotated	Anodyne	 
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CC(=O)[C@H](c5ccccc54)[C@H]3C2=O)cc1C	ZINC000102683019	EG	Annotated	Anodyne	 
COc1cccc(/N=N\c2c(N)nn3c(O)c4c(nc23)CCCC4)c1	ZINC000102725477	EG	Annotated	Clean	
CCOC(=O)c1ccc(/N=N\c2c(O)nc(O)c(C#N)c2C)cc1	ZINC000102738594	EG	Annotated	Mild	 
COC(=O)c1ccccc1/N=C/C1=C(O)OC2(CCCCC2)OC1=O	ZINC000102744823	EG	Annotated	Mild	 
CCOC(=O)c1ccccc1/N=C/c1c(O)oc2ccccc2c1=O	ZINC000102770606	EG	Annotated	Mild	 
N=c1c2c3c(sc2nc(S)n1C(=O)c1ccccc1)CCCC3	ZINC000102782982	EG	Annotated	Anodyne	
C=CC[C@@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000102806448	EG	Annotated	Mild	
CCOC[C@@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1	ZINC000102808788	EG	Annotated	Anodyne	
CCOC[C@H]1C(=O)NC(=O)C(CC)=C1Sc1cc(C)cc(C)c1	ZINC000102808791	EG	Annotated	Anodyne	
C=C1C(=O)[C@@]2(O)CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]13C2	ZINC000102812109	EG	Annotated	Mild	
COc1ccc2cc(/C=N\S(=O)(=O)c3ccc(C)cc3)n(C)c2c1	ZINC000102849279	EG	Annotated	Mild	 
COc1cc(OC)c2c(c1)O[C@@H]1Cc3cc(OC)c(OC)cc3[C@@H]2O1	ZINC000102853289	EG	Annotated	Anodyne	
COc1cc(OC)c2c(c1)O[C@H]1Cc3cc(OC)c(OC)cc3[C@H]2O1	ZINC000102853293	EG	Annotated	Anodyne	
CN1CC[C@]23c4ccccc4N[C@@H]1[C@@]21CCN(C)[C@H]3Nc2ccccc21	ZINC000102876239	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C)[C@@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000102880823	EG	Annotated	Anodyne	
CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/C[C@@H]1CCCO1	ZINC000102908993	EG	Annotated	Mild	 
CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/C[C@H]1CCCO1	ZINC000102908997	EG	Annotated	Mild	 
COc1cccc([C@]23CCC[C@@H](C2)NC[C@@H]3Br)c1OC	ZINC000102918187	EG	Annotated	Reactive	
COc1cccc([C@@]23CCC[C@H](C2)NC[C@@H]3Br)c1OC	ZINC000102918189	EG	Annotated	Reactive	
CSc1c(C#N)c(S)n(-c2ccc(Cl)cc2)c(=O)c1C#N	ZINC000102919525	EG	Annotated	Mild	
CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC[C@](C)(O)[C@H]1CCC(C)=CC1=O	ZINC000102927812	EG	Annotated	Mild	
CC(C)=CC(=O)[C@H](O)/C(C)=C/CC[C@](C)(O)[C@@H]1CCC(C)=CC1=O	ZINC000102927817	EG	Annotated	Mild	
Cn1c2c(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CC2	ZINC000102934880	EG	Annotated	Anodyne	
Cn1c2c(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CC2	ZINC000102934883	EG	Annotated	Anodyne	
Cn1c2c(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CC2	ZINC000102934885	EG	Annotated	Anodyne	
CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N\O)c1ccccc1-2	ZINC000102936423	EG	Annotated	Mild	 
COc1ccc(Cl)cc1N/C=C1/C(=O)Oc2ccccc2C1=O	ZINC000102938632	EG	Annotated	Mild	 
N=c1c2sc3nc4ccccc4n3c2ncn1Cc1ccccc1	ZINC000102941778	EG	Annotated	Bother	
C=C1C(=O)O[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@]1(O)C3	ZINC000102951576	EG	Annotated	Mild	
O/N=C1\C/C(=N\O)c2c(Br)sc(Br)c21	ZINC000102954160	EG	Annotated	Mild	
CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O	ZINC000102967526	EG	Annotated	Mild	
CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O	ZINC000102967528	EG	Annotated	Mild	
CCC1=NC(N/N=C/c2ccccc2O)=N/C1=C\c1ccccc1O	ZINC000102982150	EG	Annotated	Mild	
C=CC[C@H](C)CCC(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C	ZINC000102986674	EG	Annotated	Mild	
O=C(O)C1=C(Nc2ccc(Cl)cc2F)C(=O)c2ccccc2C1=O	ZINC000102988740	EG	Annotated	Mild	
C[C@@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2	ZINC000103020519	EG	Annotated	Reactive	
C[C@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2	ZINC000103020521	EG	Annotated	Reactive	
C[C@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2	ZINC000103020522	EG	Annotated	Reactive	
COC(=O)CCN1CC[C@@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12	ZINC000103058788	EG	Annotated	Anodyne	
O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@@H](/C=C/c2ccccc2)N1	ZINC000103066399	EG	Annotated	Clean	
O=C1N=C(C2C(=O)c3ccccc3C2=O)C[C@H](/C=C/c2ccccc2)N1	ZINC000103066403	EG	Annotated	Clean	
Cc1ccc(Nc2nn3c(=O)c4c(C)c(C)sc4nc3[nH]2)cc1	ZINC000103089923	EG	Annotated	Anodyne	 
C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O	ZINC000103109277	EG	Annotated	Anodyne	 
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H]4O[C@]412)[C@@]1(CO1)C3	ZINC000103109605	EG	Annotated	Anodyne	 
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](C[C@H]4O[C@]412)[C@]1(CO1)C3	ZINC000103109609	EG	Annotated	Anodyne	 
COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@@]3(CC[C@H]12)C[C@]4(O)CO	ZINC000103109995	EG	Annotated	Anodyne	 
C[C@@H]1CCCCN1C(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F	ZINC000103113551	EG	Annotated	Anodyne	 
C[C@H]1CCCCN1C(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F	ZINC000103113554	EG	Annotated	Anodyne	 
O=C(Nc1ccncc1)c1cnn2c1NC(=C1CC1)C=C2C(F)F	ZINC000103125646	EG	Annotated	Anodyne	 
COc1ccc(SCNC2=CC(=O)c3ccccc3C2=O)cc1	ZINC000103131091	EG	Annotated	Mild	 
Oc1cccc([C@@]23CCN(CCc4ccccc4)[C@H](C[C@@H](O)C2)C3)c1	ZINC000103136475	EG	Annotated	Anodyne	 
C[C@H]1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O	ZINC000103144623	EG	Annotated	Anodyne	 
C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@H]1C3	ZINC000103144629	EG	Annotated	Mild	 
C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OC)[C@H]4CC[C@]3(C2)[C@@H]1O	ZINC000103144643	EG	Annotated	Mild	 
CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@H]4C[C@@]1(ON4)O2)[C@H](C)C3=O	ZINC000103146798	EG	Annotated	Anodyne	 
CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccccn1	ZINC000103152114	EG	Annotated	Clean	 
CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1ccccn1	ZINC000103152117	EG	Annotated	Clean	 
CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cccnc1	ZINC000103152122	EG	Annotated	Clean	 
O=C1C[C@@H]2CCC[C@@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103153720	EG	Annotated	Bother	 
O=C1C[C@@H]2CCC[C@@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103153721	EG	Annotated	Bother	 
N#Cc1c(-c2ccccc2)cc(=O)n2c1[nH]c1ccc(C(=O)O)cc12	ZINC000103159184	EG	Annotated	Mild	 
O=C1C[C@@H]2CCCC[C@@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103165837	EG	Annotated	Bother	 
O=C1C[C@@H]2CCCC[C@@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103165839	EG	Annotated	Bother	 
O=C(c1ccccc1)C1(C(=O)c2ccccc2)SCC(O)CS1	ZINC000103166803	EG	Annotated	Anodyne	 
CNC(=O)OC1CSC(C#N)(c2ccc(Cl)cc2)SC1	ZINC000103166817	EG	Annotated	Mild	 
C#CC(C)(C)NC(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1	ZINC000103169072	EG	Annotated	Mild	 
N#CC1(c2ccc(Cl)cc2)SCC(N2CCOCC2)CS1	ZINC000103169086	EG	Annotated	Mild	 
CCCCn1c(N/N=C/c2cccc(O)c2)nc2ccccc2c1=O	ZINC000103169972	EG	Annotated	Mild	 
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1	ZINC000103171672	EG	Annotated	Mild	 
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccccc1	ZINC000103171674	EG	Annotated	Mild	 
O=C(c1ccccc1)N(/N=C/c1ccccc1O)C(=O)c1ccncc1	ZINC000103171859	EG	Annotated	Reactive	 
CCc1nnc2sc(-c3c[nH]nc3-c3ccc(Cl)cc3)nn12	ZINC000103175580	EG	Annotated	Anodyne	 
CCCc1nnc2sc(-c3c[nH]nc3-c3ccc(F)cc3)nn12	ZINC000103175585	EG	Annotated	Anodyne	 
CCCc1nnc2sc(-c3c[nH]nc3-c3ccc(OC)cc3)nn12	ZINC000103175588	EG	Annotated	Anodyne	 
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1	ZINC000103176278	EG	Annotated	Mild	 
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(C)cc1	ZINC000103176280	EG	Annotated	Mild	 
CNC(=O)[C@@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1	ZINC000103176287	EG	Annotated	Mild	 
CNC(=O)[C@H](OC)c1ccccc1CO/N=C(\C)c1ccc(F)cc1	ZINC000103176289	EG	Annotated	Mild	 
CC(=O)C[C@@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1C(C)C	ZINC000103176721	EG	Annotated	Anodyne	 
CC(=O)C[C@H]1c2cc(Cl)ccc2N=C(n2cncn2)N1C(C)C	ZINC000103176724	EG	Annotated	Anodyne	 
CNC(=O)[C@@H](OCOC)c1cccc(COc2cc(C)ccc2C)c1	ZINC000103177332	EG	Annotated	Anodyne	 
CNC(=O)[C@H](OCOC)c1cccc(COc2cc(C)ccc2C)c1	ZINC000103177334	EG	Annotated	Anodyne	 
CCc1nn(C)c(C(=O)NCc2ccc(CC(C)C)nc2)c1Cl	ZINC000103178321	EG	Annotated	Anodyne	 
CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)nc2)c1Cl	ZINC000103178323	EG	Annotated	Anodyne	 
CCc1nn(C)c(C(=O)NCc2cnccc2C(C)(C)C)c1Cl	ZINC000103178326	EG	Annotated	Anodyne	 
Cc1cc([N+](=O)[O-])cc2c1N1Cc3cc([N+](=O)[O-])cc(C)c3N(C2)C1	ZINC000103179798	EG	Annotated	Bother	 
C#CCc1c(Cl)cc(N/C=N/OCC(=O)OCC)cc1Cl	ZINC000103180371	EG	Annotated	Mild	 
Cc1ccc(C)c(NC(=O)c2nc(C)c(C)nc2C(=O)NC(C)C)c1	ZINC000103182953	EG	Annotated	Anodyne	 
COCCOCON1C(=O)C(c2c(C)cc(C)cc2C)=C(O)C1(C)C	ZINC000103183470	EG	Annotated	Anodyne	 
Cn1nc2c(c1C(=O)NCc1ccc(CC(C)(C)C)cc1)CCC2	ZINC000103183787	EG	Annotated	Anodyne	 
Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)F)s1	ZINC000103185198	EG	Annotated	Anodyne	 
C=CCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SCC	ZINC000103186421	EG	Annotated	Reactive	 
C[C@@H]1CC[C@H]2C(CN)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000103187408	EG	Annotated	Reactive	 
CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1c2c(nn1C)CCC2	ZINC000103187702	EG	Annotated	Anodyne	 
CCN(C(=O)COc1onc(C(F)(F)F)c1C)c1ccccc1	ZINC000103187989	EG	Annotated	Anodyne	 
Cc1ccccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C	ZINC000103188157	EG	Annotated	Anodyne	 
Cc1cccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)c1	ZINC000103188258	EG	Annotated	Anodyne	 
COc1ccccc1N(C)C(=O)COc1onc(C(F)(F)F)c1C	ZINC000103189924	EG	Annotated	Anodyne	 
Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1F	ZINC000103189928	EG	Annotated	Anodyne	 
Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1cccc(F)c1	ZINC000103190065	EG	Annotated	Anodyne	 
Cc1ccc(N(C)C(=O)COc2onc(C(F)(F)F)c2C)cc1	ZINC000103190080	EG	Annotated	Anodyne	 
CN(/N=C/c1c(O)ccc2ccccc12)S(=O)(=O)c1ccccc1	ZINC000103190147	EG	Annotated	Mild	 
C/C(=C1/C(=O)N(CCCN(C)C)c2ccc(F)cc21)c1ccc[nH]1	ZINC000103190286	EG	Annotated	Anodyne	 
CCc1c(C(F)(F)F)noc1OCC(=O)N(C)c1ccccc1	ZINC000103191638	EG	Annotated	Anodyne	 
COCCN(C(=O)CCl)C(=C(C)C)c1ccc(OC)c(OC)c1	ZINC000103191857	EG	Annotated	Reactive	 
CCCCCCCCNC(=O)C1(C#N)SCC(N(C)C)CS1	ZINC000103192044	EG	Annotated	Mild	 
COP(=O)(OC)[C@H](OC(=O)COc1ccccc1)c1ccco1	ZINC000103192365	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1)c1ccco1	ZINC000103192366	EG	Annotated	Anodyne	 
COc1cc(OC)c(/C=C2\COc3ccccc3C2=O)c(OC)c1	ZINC000103192740	EG	Annotated	Mild	 
C=CCOc1cccc(Oc2ccccc2/C(=N\OC)C(=O)NC)c1	ZINC000103192953	EG	Annotated	Mild	 
CC(C)CNC(=S)N1CCC(c2cccc(Br)c2)=N1	ZINC000103193039	EG	Annotated	Anodyne	 
COc1ccc([C@H]2C3=C(CCCC3)Nc3ncnc(N)c32)cc1OC	ZINC000103193434	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2C3=C(CCCC3)Nc3ncnc(N)c32)cc1OC	ZINC000103193436	EG	Annotated	Anodyne	 
O=C(c1cccs1)[C@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F	ZINC000103194294	EG	Annotated	Anodyne	 
O=C(c1cccs1)[C@@H](NNc1ccc(F)cc1)C(=O)C(F)(F)F	ZINC000103194297	EG	Annotated	Anodyne	 
CCCNc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1	ZINC000103194832	EG	Annotated	Anodyne	 
Cc1nn(C)c(C(=O)NC(C)(C)c2ccccc2)c1Br	ZINC000103195117	EG	Annotated	Anodyne	 
CCCOc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1	ZINC000103196319	EG	Annotated	Anodyne	 
CCc1nn(C)c(C(=O)NCc2ccc(OC(C)C)cc2)c1Cl	ZINC000103196324	EG	Annotated	Anodyne	 
CCOCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1	ZINC000103196342	EG	Annotated	Anodyne	 
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1nncs1	ZINC000103197294	EG	Annotated	Reactive	 
CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1	ZINC000103199359	EG	Annotated	Mild	 
CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1	ZINC000103199361	EG	Annotated	Mild	 
CO/N=C/CCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000103199362	EG	Annotated	Mild	 
CO/N=C/CCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000103199364	EG	Annotated	Mild	 
S=c1s/c(=N\c2ccc(Br)cc2)n2n1CCC2	ZINC000103199729	EG	Annotated	Anodyne	 
CCO/N=C/Nc1cc(Cl)c(S(=O)(=O)CC)c(Cl)c1	ZINC000103199846	EG	Annotated	Mild	 
CNC(=O)[C@@H](OC(C)=O)c1cccc(COc2cc(C)ccc2C)c1	ZINC000103199870	EG	Annotated	Anodyne	 
CNC(=O)[C@H](OC(C)=O)c1cccc(COc2cc(C)ccc2C)c1	ZINC000103199873	EG	Annotated	Anodyne	 
Cc1cc(C2=C[C@H](c3ccco3)N(C(=O)c3ccncc3)N2)ccc1O	ZINC000103200463	EG	Annotated	Anodyne	 
Cc1cc(C2=C[C@@H](c3ccco3)N(C(=O)c3ccncc3)N2)ccc1O	ZINC000103200465	EG	Annotated	Anodyne	 
CC1=CC(C)(C)NC(=S)N1c1cc(Br)ccc1N	ZINC000103200572	EG	Annotated	Anodyne	 
C[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O	ZINC000103200935	EG	Annotated	Anodyne	 
C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc3cccc(c23)C1=O	ZINC000103200937	EG	Annotated	Anodyne	 
C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@]12NNC(=S)N2	ZINC000103201515	EG	Annotated	Anodyne	 
CC1(C)C[C@]2(C)Nc3ccc(Br)cc3N2C(=S)N1	ZINC000103201880	EG	Annotated	Anodyne	 
CC1(C)C[C@@]2(C)Nc3ccc(Br)cc3N2C(=S)N1	ZINC000103201882	EG	Annotated	Anodyne	 
C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)CCl	ZINC000103202713	EG	Annotated	Reactive	 
C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@@H](C)OC(=O)CCl	ZINC000103202717	EG	Annotated	Reactive	 
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)CCl)[C@@H]3C[C@H]12	ZINC000103202719	EG	Annotated	Reactive	 
C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CCl)[C@@H]3C[C@H]12	ZINC000103202720	EG	Annotated	Reactive	 
C[C@@H](NC(=O)[C@]1(C)C[C@](C)(O)C1)c1ccc(Br)cc1	ZINC000103203327	EG	Annotated	Anodyne	 
C[C@@H](NC(=O)[C@@]1(C)C[C@](C)(O)C1)c1ccc(Br)cc1	ZINC000103203329	EG	Annotated	Anodyne	 
CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1cccs1	ZINC000103204117	EG	Annotated	Reactive	 
Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)o1	ZINC000103204119	EG	Annotated	Reactive	 
CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccco1	ZINC000103204123	EG	Annotated	Reactive	 
O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[C@@H]1O	ZINC000103204427	EG	Annotated	Anodyne	 
O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[C@@H]1O	ZINC000103204431	EG	Annotated	Anodyne	 
O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCC[C@H]1O	ZINC000103204434	EG	Annotated	Anodyne	 
O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCC[C@H]1O	ZINC000103204436	EG	Annotated	Anodyne	 
CS(=O)(=O)N[C@@H]1CCCCCCCCCCC(=O)OCCC1	ZINC000103205080	EG	Annotated	Anodyne	 
CS(=O)(=O)N[C@H]1CCCCCCCCCCC(=O)OCCC1	ZINC000103205083	EG	Annotated	Anodyne	 
O=C1CCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000103205833	EG	Annotated	Anodyne	 
O=C1CCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000103205835	EG	Annotated	Anodyne	 
O=[N+]([O-])c1nn2cc(-c3ccc(Br)cc3)nc2s1	ZINC000103206581	EG	Annotated	Bother	 
COc1ccc(/C=C2\CN(CC(=O)O)c3ccc(C)cc3C2=O)cc1	ZINC000103207321	EG	Annotated	Mild	 
Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)CN2CC(=O)O	ZINC000103207496	EG	Annotated	Mild	 
Cc1cccc2c1N(CC(=O)O)C/C(=C\c1ccc(F)cc1)C2=O	ZINC000103207510	EG	Annotated	Mild	 
COc1ccc(/C=C2\CN(CC(=O)O)c3c(C)cccc3C2=O)cc1	ZINC000103207521	EG	Annotated	Mild	 
COc1cccc2c1C(=O)C(NCc1ccc(F)cc1)=C(C)C2=O	ZINC000103207767	EG	Annotated	Mild	 
COc1ccc(CNC2=C(C)C(=O)c3cccc(OC)c3C2=O)cc1	ZINC000103207770	EG	Annotated	Mild	 
COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(F)c(Cl)c1	ZINC000103207777	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(F)c(Cl)c1	ZINC000103207779	EG	Annotated	Anodyne	 
COC(=O)c1ccccc1SSc1n[nH]c(-c2cccnc2)n1	ZINC000103208506	EG	Annotated	Reactive	 
COc1cccc(/C=C2\CN(CC(=O)O)c3ccc(C)cc3C2=O)c1	ZINC000103208793	EG	Annotated	Mild	 
COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Cl)cc1C	ZINC000103209117	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Cl)cc1C	ZINC000103209118	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(Cl)c(C)c1	ZINC000103209121	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(Cl)c(C)c1	ZINC000103209124	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@H](C)OC(=O)COc1cc(C)ccc1Cl	ZINC000103209126	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@@H](C)OC(=O)COc1cc(C)ccc1Cl	ZINC000103209128	EG	Annotated	Anodyne	 
COC(=O)c1ccccc1SSc1n[nH]c(-c2ccncc2)n1	ZINC000103209941	EG	Annotated	Reactive	 
O=C1O[C@H](c2ccccc2)C(=O)N1CCNc1ccc(Cl)cc1	ZINC000103210082	EG	Annotated	Anodyne	 
O=C1O[C@@H](c2ccccc2)C(=O)N1CCNc1ccc(Cl)cc1	ZINC000103210084	EG	Annotated	Anodyne	 
C[C@H](NCCC(=O)N1c2ccccc2C=Cc2ccccc21)C(=O)O	ZINC000103210455	EG	Annotated	Anodyne	 
CC(C)/C=C/c1c(O)cc(/C=C/C2=CC(=O)O[C@@H]2CC(=O)O)cc1O	ZINC000103214709	EG	Annotated	Anodyne	 
CC(C)/C=C/c1c(O)cc(/C=C/C2=CC(=O)O[C@H]2CC(=O)O)cc1O	ZINC000103214711	EG	Annotated	Anodyne	
COCC(=O)n1cc(-c2ocnc2Br)c2ccccc21	ZINC000103214940	EG	Annotated	Anodyne	 
C[S@@](=O)(Cc1sc(Br)nc1C(F)(F)F)=NC#N	ZINC000103215641	EG	Annotated	Anodyne	 
C[S@](=O)(Cc1sc(Br)nc1C(F)(F)F)=NC#N	ZINC000103215643	EG	Annotated	Anodyne	 
C/C(C[C@@H]1C=Cc2ccc(C(=O)O)c(O)c2N1)=C1/C=CC(=O)C(O)=C1	ZINC000103217885	EG	Annotated	Mild	 
C/C(C[C@H]1C=Cc2ccc(C(=O)O)c(O)c2N1)=C1/C=CC(=O)C(O)=C1	ZINC000103217887	EG	Annotated	Mild	 
CCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1	ZINC000103218506	EG	Annotated	Mild	 
CC1(C)C[C@H](OCCSC(=N)N)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3	ZINC000103218512	EG	Annotated	Anodyne	 
CC1(C)C[C@H](OCCn2cncn2)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3	ZINC000103218519	EG	Annotated	Anodyne	 
COc1ccccc1/C=C1\CN(CC(=O)O)c2c(C)cccc2C1=O	ZINC000103220812	EG	Annotated	Mild	 
O=c1cc(OCc2nnc(-c3cccs3)[nH]2)c2ccccc2o1	ZINC000103221983	EG	Annotated	Anodyne	 
Cc1ccc(-c2nnc(COc3cc(=O)oc4ccccc34)[nH]2)cc1	ZINC000103222063	EG	Annotated	Anodyne	 
N=C(N)c1ccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)no2)cc1	ZINC000103224374	EG	Annotated	Anodyne	 
Cc1ccc(-c2cnnc(N3CC[C@H](c4cccc(C#N)c4)C3)n2)o1	ZINC000103227015	EG	Annotated	Mild	 
Cc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(C#N)c4)C3)n2)o1	ZINC000103227018	EG	Annotated	Mild	 
O=C(c1cc(Cl)n[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1	ZINC000103232625	EG	Annotated	Anodyne	 
CC1=C2C=CC[C@H]3C(=O)OC[C@@]23C=CC2=C1[C@H](c1ccoc1)OC2=O	ZINC000103232821	EG	Annotated	Anodyne	 
NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(O)cc3)co2)c1F	ZINC000103234512	EG	Annotated	Anodyne	 
N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)no2)c1	ZINC000103235024	EG	Annotated	Anodyne	 
N=C(N)c1cccc(-c2cc(-c3cc(C(=N)N)ccc3Cl)on2)c1	ZINC000103235031	EG	Annotated	Anodyne	 
CCOC(=O)Oc1ccc2[nH]c3c(C)cc(N=C(N)N)c(C)c3c2c1	ZINC000103235147	EG	Annotated	Mild	 
COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C	ZINC000103237213	EG	Annotated	Mild	 
COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@H]2CC=C(C)C	ZINC000103237215	EG	Annotated	Mild	 
COC(=O)[C@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C	ZINC000103237216	EG	Annotated	Mild	 
COC(=O)[C@@]12C=CC(=O)C(OC(C)=O)=C1CC=C(C)[C@@H]2CC=C(C)C	ZINC000103237219	EG	Annotated	Mild	 
COc1ccc(/C=C(/C(=O)c2ccc(F)cc2F)n2cncn2)cc1	ZINC000103237253	EG	Annotated	Mild	 
O=C(NCc1ccccc1)c1c(NO)cc(-c2ccccc2)oc1=O	ZINC000103238516	EG	Annotated	Anodyne	 
O=C(Nc1ccc(F)cc1)c1c(NO)cc(-c2ccccc2)oc1=O	ZINC000103238578	EG	Annotated	Anodyne	 
CC1(CCC(=O)Nc2cccc(N)c2)OOC2(CCCCC2)OO1	ZINC000103239204	EG	Annotated	Reactive	 
Nc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)ccc12	ZINC000103241979	EG	Annotated	Anodyne	 
CCCCNc1c(NCCCN(CCCC)CCCC)c(=O)c1=O	ZINC000103244118	EG	Annotated	Anodyne	 
O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1ccccc1Cl	ZINC000103244186	EG	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2c(C(=O)O)[nH]c3c([N+](=O)[O-])cccc23)c1	ZINC000103244208	EG	Annotated	Bother	
Cc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@@H]3CCCN23)cc1	ZINC000103245049	EG	Annotated	Anodyne	 
O=C1CCc2cc(-n3cnnc3)ccc2N1Cc1cccc(Cl)c1	ZINC000103245479	EG	Annotated	Anodyne	 
NC(=O)C[S@@](=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1	ZINC000103246725	EG	Annotated	Anodyne	 
NC(=O)C[S@](=O)C(c1cccc(Cl)c1)c1cccc(Cl)c1	ZINC000103246727	EG	Annotated	Anodyne	 
Cc1ccc(Cn2cc(C(=O)NCCF)c3ncccc32)c(C)c1	ZINC000103248025	EG	Annotated	Anodyne	 
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cc(Cl)c2c(c1)OCCO2	ZINC000103251551	EG	Annotated	Bother	
O=C(Nc1ccc(O)cc1)c1c(NO)cc(-c2ccccc2)oc1=O	ZINC000103251718	EG	Annotated	Anodyne	 
C=C1c2c(ncn(-c3ccc(Br)cc3)c2=O)OC1(C)C	ZINC000103252094	EG	Annotated	Mild	 
COc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2c1	ZINC000103252525	EG	Annotated	Anodyne	
Nc1ccc(CN2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1	ZINC000103254210	EG	Annotated	Clean	 
O=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1	ZINC000103254833	EG	Annotated	Anodyne	 
COc1ccc(/C=N/Nc2cnc3ccccc3n2)c(Cl)c1O	ZINC000103258034	EG	Annotated	Mild	 
Cn1cncc1C(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1	ZINC000103259364	EG	Annotated	Anodyne	 
CN1CCN(Cc2c(O)ccc3oc(Cc4ccccc4)cc23)CC1	ZINC000103262333	EG	Annotated	Clean	 
CCn1nc(-c2cnccc2C)c2ncc(OCc3ccccn3)nc21	ZINC000103262423	EG	Annotated	Anodyne	
N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@@H](c2cccs2)N1	ZINC000103262449	EG	Annotated	Anodyne	 
N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@H](c2cccs2)N1	ZINC000103262452	EG	Annotated	Anodyne	 
Cc1ccc(C2=C(CC(=O)O)[C@H](c3cccs3)NC(=N)N2)cc1	ZINC000103262478	EG	Annotated	Anodyne	 
Cc1ccc(C2=C(CC(=O)O)[C@@H](c3cccs3)NC(=N)N2)cc1	ZINC000103262480	EG	Annotated	Anodyne	 
CNc1nc(NCCCN(C)C)c2oc(-c3ccccc3)cc2n1	ZINC000103263060	EG	Annotated	Anodyne	 
CNc1nc(NCCCN(C)C)c2sc(-c3ccoc3)cc2n1	ZINC000103263117	EG	Annotated	Anodyne	 
Cc1ccc(=O)n([C@@H]2CC[C@@](CN)(c3cccc(Cl)c3)CC2)n1	ZINC000103263366	EG	Annotated	Anodyne	
CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(F)cc3)nc2n1	ZINC000103263530	EG	Annotated	Anodyne	 
CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)[C@@H](CC(C)C)C(=O)N1	ZINC000103267058	EG	Annotated	Anodyne	 
CC(C)C[C@H]1CN(C(=O)/C=C/c2ccccc2)[C@@H](CC(C)C)C(=O)N1	ZINC000103267062	EG	Annotated	Anodyne	 
CC(C)C[C@H]1CN(C(=O)/C=C\c2ccccc2)[C@@H](CC(C)C)C(=O)N1	ZINC000103267064	EG	Annotated	Anodyne	 
O=S(=O)(Nc1ccncc1Nc1cccc(F)c1)C(F)(F)F	ZINC000103267298	EG	Annotated	Anodyne	 
O=S(=O)(Nc1ccncc1Nc1ccc(F)cc1)C(F)(F)F	ZINC000103267300	EG	Annotated	Anodyne	 
O=C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1CN1CCOCC1	ZINC000103267791	EG	Annotated	Anodyne	 
O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1CN1CCOCC1	ZINC000103267794	EG	Annotated	Anodyne	 
NC(=O)[C@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1	ZINC000103268946	EG	Annotated	Anodyne	 
NC(=O)[C@@H](c1ccccc1C(F)(F)F)N1CCc2ccccc2C1	ZINC000103268949	EG	Annotated	Anodyne	 
O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)[C@@H]1CCCO1	ZINC000103271558	EG	Annotated	Anodyne	 
O=C(Nc1ccc(F)c(-c2nc3ncccc3o2)c1)[C@H]1CCCO1	ZINC000103271560	EG	Annotated	Anodyne	 
N#Cc1cc2cnc(NCc3ccccc3)nc2n(C2CCCC2)c1=O	ZINC000103271563	EG	Annotated	Mild	 
N#Cc1cc2cnc(Nc3ccccc3O)nc2n(C2CCCC2)c1=O	ZINC000103271570	EG	Annotated	Mild	 
O=c1cc(-n2cc(COc3ccc(F)cc3)nn2)c2ccccc2o1	ZINC000103271642	EG	Annotated	Anodyne	 
CCOC(=O)/N=c1/sc(C#N)cn1-c1cccc(C(F)(F)F)c1	ZINC000103272202	EG	Annotated	Mild	 
Cc1cn(-c2cccc(C(F)(F)F)c2)/c(=N\C(=O)N(C)C)s1	ZINC000103272303	EG	Annotated	Anodyne	 
CCOP(=O)(OCC)[C@@]1(C#N)SC[C@@H](CN(C)C)CS1	ZINC000103272663	EG	Annotated	Mild	 
CCOP(=O)(OCC)[C@@]1(C#N)SC[C@H](CN(C)C)CS1	ZINC000103272665	EG	Annotated	Mild	 
CCCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1	ZINC000103273300	EG	Annotated	Bother	 
COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21	ZINC000103273434	EG	Annotated	Mild	
COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@@H]21	ZINC000103273436	EG	Annotated	Mild	
COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@H]2CCCC[C@H]21	ZINC000103273444	EG	Annotated	Anodyne	 
Cn1nc(SCc2ccccc2)c(C#N)c1NCCCN=C=S	ZINC000103273981	EG	Annotated	Reactive	 
CCOc1c(-c2c(CC)cc(C)cc2CC)c(=O)n2n1CCOCC2	ZINC000103274637	EG	Annotated	Anodyne	 
Cc1cc(C)c(C2C(=O)N3C[C@H]4CCCC[C@@H]4CN3C2=O)c(C)c1	ZINC000103274743	EG	Annotated	Clean	 
CC(=O)OC/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	ZINC000103275469	EG	Annotated	Mild	 
CC(=O)OC/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	ZINC000103275471	EG	Annotated	Mild	 
CCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O	ZINC000103275898	EG	Annotated	Mild	 
CC(C)CC1=C(Br)c2nc3ccccn3c2C(=O)C1=O	ZINC000103275977	EG	Annotated	Mild	 
Cc1cc(C)n(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)n1	ZINC000103276310	EG	Annotated	Bother	 
CC[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl	ZINC000103276436	EG	Annotated	Anodyne	 
CC[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Cl)Cl	ZINC000103276438	EG	Annotated	Anodyne	 
Cc1nc2ccccc2c(=O)n1-c1nnc(-c2ccc(Cl)cc2)o1	ZINC000103278838	EG	Annotated	Anodyne	 
CC(C)C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103278880	EG	Annotated	Reactive	 
CC(C)C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103278882	EG	Annotated	Reactive	 
CC[C@@H](C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103278883	EG	Annotated	Reactive	 
CC[C@H](C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103278885	EG	Annotated	Reactive	 
CC[C@@H](C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103278887	EG	Annotated	Reactive	 
CC[C@H](C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103278890	EG	Annotated	Reactive	 
CCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103279061	EG	Annotated	Reactive	 
CCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103279062	EG	Annotated	Reactive	 
CCCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103279069	EG	Annotated	Reactive	 
CCCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1	ZINC000103279071	EG	Annotated	Reactive	 
O=C1NCCOc2ccc(OCc3ccccc3Br)cc21	ZINC000103280350	EG	Annotated	Anodyne	 
CC(C)(C)C1=C(Br)c2nc3ccccn3c2C(=O)C1=O	ZINC000103281857	EG	Annotated	Mild	 
Cc1ccc(-n2nc(C)n(-c3nnc(-c4ccccc4)s3)c2=O)cc1	ZINC000103282733	EG	Annotated	Anodyne	 
O=C(c1ccc(O)cc1)n1nc(-c2ccc(O)cc2)sc1=S	ZINC000103282865	EG	Annotated	Anodyne	 
O=C1NC2=C(C(=O)CCC2)[C@@H](c2cc3ccccc3[nH]c2=S)N1	ZINC000103283170	EG	Annotated	Mild	 
O=C1NC2=C(C(=O)CCC2)[C@H](c2cc3ccccc3[nH]c2=S)N1	ZINC000103283174	EG	Annotated	Mild	 
O=C1CCCC2=C1[C@@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2	ZINC000103283178	EG	Annotated	Mild	 
O=C1CCCC2=C1[C@H](c1cc3ccccc3[nH]c1=S)NC(=S)N2	ZINC000103283181	EG	Annotated	Mild	 
O=C(Oc1ccc2c3c(cccc13)C(=O)O2)c1ccc2c(c1)OCO2	ZINC000103283964	EG	Annotated	Anodyne	 
O=C1[C@@H]([C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1	ZINC000103284615	EG	Annotated	Bother	 
O=C1[C@H]([C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1	ZINC000103284617	EG	Annotated	Bother	 
O=C1[C@@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1	ZINC000103284619	EG	Annotated	Bother	 
O=C1[C@H]([C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1Cc1ccccc1	ZINC000103284621	EG	Annotated	Bother	 
O=C1O[C@H](c2ccc(Cl)cc2)C(I)=C1O	ZINC000103285195	EG	Annotated	Anodyne	 
O=C1O[C@@H](c2ccc(Cl)cc2)C(I)=C1O	ZINC000103285198	EG	Annotated	Anodyne	 
Cn1cccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000103287064	EG	Annotated	Clean	 
Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccccc2Br)o1	ZINC000103287103	EG	Annotated	Bother	 
Cc1cccc(C#C[C@@]2(O)C[C@@H]3CC[C@H](C2)N3C(=O)C(C)(C)C)c1	ZINC000103287317	EG	Annotated	Mild	
Cc1nc(N(C=O)Cc2ccc(Cl)cc2)nc(C(F)(F)F)n1	ZINC000103287637	EG	Annotated	Anodyne	 
CCCN(CC)C(=O)c1cn(C)nc1OCc1cc(F)cc(F)c1	ZINC000103289023	EG	Annotated	Anodyne	 
Cc1nn(-c2ccccc2)c(C)c1[C@H]1OC(=O)C(O)=C1Br	ZINC000103290626	EG	Annotated	Anodyne	 
Cc1nn(-c2ccccc2)c(C)c1[C@@H]1OC(=O)C(O)=C1Br	ZINC000103290628	EG	Annotated	Anodyne	 
Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1ccc3cccnc3c1O2	ZINC000103290778	EG	Annotated	Anodyne	 
Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1ccc3cccnc3c1O2	ZINC000103290780	EG	Annotated	Anodyne	 
O=[N+]([O-])c1ccc(-c2nn(CNc3ccccn3)c(=S)o2)cc1	ZINC000103290899	EG	Annotated	Bother	 
Cc1cccc(C#C[C@@]2(O)C[C@@H]3CC[C@H](C2)N3c2ncccc2C#N)c1	ZINC000103293061	EG	Annotated	Mild	
O=C1CN(C2CC2)C(=O)/C1=C(\O)c1cccc(Oc2ccccc2)c1	ZINC000103294700	EG	Annotated	Mild	 
CSc1nn(-c2ccccc2)c(NCCCN=C=S)c1C#N	ZINC000103296230	EG	Annotated	Reactive	 
CCC1=C(Cl)[C@H](Cl)N(CC)C(OP(=O)(O)O)=C1Cl	ZINC000103296717	EG	Annotated	Reactive	 
CCC1=C(Cl)[C@@H](Cl)N(CC)C(OP(=O)(O)O)=C1Cl	ZINC000103296719	EG	Annotated	Reactive	 
CC(C)NC(=O)SCC[C@@H](CN(C)C)SC(=O)NC(C)C	ZINC000103297110	EG	Annotated	Anodyne	 
CC(C)NC(=O)SCC[C@H](CN(C)C)SC(=O)NC(C)C	ZINC000103297112	EG	Annotated	Anodyne	 
COc1c(C)c(OC)c2c(c1C=O)O[C@H](c1ccccc1)C[C@H]2O	ZINC000103298376	EG	Annotated	Anodyne	
Cc1csc(-c2coc3cc(OCCN(C)C)cc(C)c3c2=O)n1	ZINC000103298653	EG	Annotated	Anodyne	 
CCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2	ZINC000103299709	EG	Annotated	Bother	 
Cc1cn(NC(=O)c2cnc(-c3ccccn3)nc2)c2ccc(F)cc12	ZINC000103300088	EG	Annotated	Anodyne	 
O=C(NC1CCCC1)N1Cc2cc(-c3c[nH]nc3C3CC3)cnc2C1	ZINC000103300103	EG	Annotated	Anodyne	 
CCOC(=O)CCCN1N=C2c3ccc(Cl)cc3CC[C@H]2CC1=O	ZINC000103301544	EG	Annotated	Anodyne	 
CCOC(=O)CCCN1N=C2c3ccc(Cl)cc3CC[C@@H]2CC1=O	ZINC000103301546	EG	Annotated	Anodyne	 
CCOC(=O)CCCCCN1N=C2c3ccccc3CC[C@H]2CC1=O	ZINC000103301551	EG	Annotated	Anodyne	 
CCOC(=O)CCCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O	ZINC000103301553	EG	Annotated	Anodyne	 
CC1(C)CC(=O)C/C(=N/NC(=O)c2ccccc2Br)C1	ZINC000103455015	EG	Annotated	Reactive	 
C=CCOc1ccc(/C=C2/N=C(C)C(C(=O)OCC)=C2O)cc1OC	ZINC000103523895	EG	Annotated	Mild	 
C[C@H](C(=O)/N=C1\C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1	ZINC000103527600	EG	Annotated	Mild	
COc1ccc(CC/N=c2\cc(O)oc3ccccc23)cc1OC	ZINC000103529030	EG	Annotated	Anodyne	 
CCCc1nn(-c2ccc(F)cc2)c(O)c1/C=N/CC1CCNCC1	ZINC000103530496	EG	Annotated	Mild	 
CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)/C1=C(/O)OCC	ZINC000103530785	EG	Annotated	Anodyne	 
CCCC1=Nc2nc(C)nn2[C@@H](c2cccnc2)/C1=C(/O)OCC	ZINC000103530790	EG	Annotated	Anodyne	 
CC/N=c1\c(NC(=O)c2ccccc2F)c(O)oc2ccccc12	ZINC000103532159	EG	Annotated	Anodyne	 
COC(=O)c1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2	ZINC000103532513	EG	Annotated	Anodyne	 
COC(=O)c1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(O)CCCC1=N2	ZINC000103532516	EG	Annotated	Anodyne	 
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000103533920	EG	Annotated	Mild	in-vitro biogenic
CCN(CCC/N=c1/c(-c2ccccc2)c(O)c1=O)Cc1ccccc1	ZINC000103535344	EG	Annotated	Anodyne	 
CCN(CC)CCC/N=c1/c(-c2ccc(C(C)C)cc2)c(O)c1=O	ZINC000103535407	EG	Annotated	Anodyne	 
Cc1ccc(-c2c(O)c(=O)/c2=N\CCCN(C)Cc2ccccc2)cc1	ZINC000103535433	EG	Annotated	Anodyne	 
COC(=O)c1nc2n(n1)[C@H](c1ccccc1C)C1=C(O)CCCC1=N2	ZINC000103538643	EG	Annotated	Anodyne	 
COC(=O)c1nc2n(n1)[C@@H](c1ccccc1C)C1=C(O)CCCC1=N2	ZINC000103538646	EG	Annotated	Anodyne	 
CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1OCC	ZINC000103538734	EG	Annotated	Anodyne	 
CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1OCC	ZINC000103538744	EG	Annotated	Anodyne	 
COc1ccc(C(=O)NO/C(O)=C/C(C)=N/Cc2ccccc2)cc1	ZINC000103540375	EG	Annotated	Mild	 
COc1ccc(/C=N/n2cnc3c4cc(OC)ccc4nc-3c2O)cc1	ZINC000103540641	EG	Annotated	Mild	 
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@@H]32	ZINC000103549488	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@]1(C)[C@H](O)C(=O)c1ccoc1)[C@@]23C	ZINC000103549971	EG	Annotated	Anodyne	in-vitro biogenic
CC1(C)C(CSS(C)(=O)=O)=C(c2ccccc2)C(C)(C)N1[O]	ZINC000103554863	EG	Annotated	Reactive	
Cc1nc2c(s1)-c1nc(/N=C3\C=C([N+](=O)[O-])C=CC3)ncc1CC2	ZINC000103560728	EG	Annotated	Mild	
Cc1nc2c(s1)-c1nc(/N=C3/C=C([N+](=O)[O-])C=CC3)ncc1CC2	ZINC000103560733	EG	Annotated	Mild	
CN1CC[C@]23c4ccccc4N[C@@H]1[C@]21CCN(C)[C@H]3Nc2ccccc21	ZINC000103578297	EG	Annotated	Anodyne	in-vitro biogenic
Cc1[nH]n(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3)nc1-2	ZINC000103584440	EG	Annotated	Anodyne	 
COc1ccc(-n2[nH]c(C)c3nc(-c4nn(C)cc4Cl)nc2-3)cc1	ZINC000103584498	EG	Annotated	Anodyne	 
CC(=O)O[C@H]1C/C(C)=C/CC[C@@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C	ZINC000103585968	EG	Annotated	Anodyne	in-vitro biogenic
Cc1[nH]n(Cc2ccccc2)c2nc(-c3nn(C)cc3Cl)nc1-2	ZINC000103586098	EG	Annotated	Anodyne	 
CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCc1ccc(C)cc1	ZINC000103587544	EG	Annotated	Anodyne	 
CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCc1ccc(C)cc1	ZINC000103587551	EG	Annotated	Anodyne	 
CC[C@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCCc1ccccc1	ZINC000103587610	EG	Annotated	Anodyne	 
CC[C@@H](Sc1nc2cc[nH]cc-2n1)C(=O)NCCc1ccccc1	ZINC000103587613	EG	Annotated	Anodyne	 
CCCn1[nH]cc2nc(-c3cc(Cn4cncn4)c(C)cc3C)nc1-2	ZINC000103595001	EG	Annotated	Anodyne	 
COc1ccc(-n2cccn2)c(-c2nc3c(C)[nH]n(C(C)C)c-3n2)c1	ZINC000103597399	EG	Annotated	Anodyne	 
OC1=C2C(=Nc3nnnn3[C@@H]2c2ccc(Br)cc2)CCC1	ZINC000103627489	EG	Annotated	Anodyne	 
OC1=C2C(=Nc3nnnn3[C@H]2c2ccc(Br)cc2)CCC1	ZINC000103627495	EG	Annotated	Anodyne	 
C/N=c1\c(N/C(O)=N/c2ccccc2F)c(O)oc2ccccc12	ZINC000103632393	EG	Annotated	Mild	 
C/N=c1\c(N/C(O)=N/Cc2ccc(F)cc2)c(O)oc2ccccc12	ZINC000103632842	EG	Annotated	Mild	 
CCC/N=c1\c(N/C(O)=N/CCCOCC)c(O)oc2ccccc12	ZINC000103655107	EG	Annotated	Mild	 
Cc1[nH]nc2c1[C@@H](c1ccccc1Br)C1=C(O)OCC1=N2	ZINC000103670381	EG	Annotated	Anodyne	 
Cc1[nH]nc2c1[C@H](c1ccccc1Br)C1=C(O)OCC1=N2	ZINC000103670387	EG	Annotated	Anodyne	 
COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)ccc1O	ZINC000103693037	EG	Annotated	Anodyne	 
COc1cc([C@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)ccc1O	ZINC000103693041	EG	Annotated	Anodyne	 
C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@@]31CO1	ZINC000103736342	EG	Annotated	Anodyne	 
CC(C)c1ccc2c(c1)=C(c1cccs1)NN=C(c1ccncc1)N=2	ZINC000103741644	EG	Annotated	Anodyne	 
O=C(Nc1ccccc1C(F)(F)F)C1=C/C(=C2/C=CC=CC2=O)ON1	ZINC000103744712	EG	Annotated	Mild	 
C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccc(OC)cc2)C=C1	ZINC000103757097	EG	Annotated	Mild	 
CC(C)(C)OC(=O)N/N=C/C1=C/C(=N/Nc2ccccc2)C=CC1=O	ZINC000103762098	EG	Annotated	Reactive	 
Cc1ccc(C2=NN=C(N)/C2=N/Nc2cccc(Cl)c2C)cc1	ZINC000103766679	EG	Annotated	Mild	 
O=C1C=CC=C/C1=C1/C[C@H](c2cccs2)N(C(=O)c2ccco2)N1	ZINC000103782214	EG	Annotated	Mild	 
O=C1C=CC=C/C1=C1/C[C@@H](c2cccs2)N(C(=O)c2ccco2)N1	ZINC000103782218	EG	Annotated	Mild	 
COC1=CC(=O)/C(=C(\C)NNc2ncc(Cl)cc2Cl)C=C1	ZINC000103821983	EG	Annotated	Mild	 
O=C(NN/C=C1\C=NN=C1c1ccc(Cl)cc1)c1cccs1	ZINC000103838723	EG	Annotated	Reactive	 
CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(Br)c1	ZINC000103870894	EG	Annotated	Anodyne	
CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(Br)c1	ZINC000103870899	EG	Annotated	Anodyne	
CO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1	ZINC000103871478	EG	Annotated	Anodyne	
CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1	ZINC000103871482	EG	Annotated	Anodyne	
CCCOc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nnnn21	ZINC000103884435	EG	Annotated	Anodyne	
CCCOc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nnnn21	ZINC000103884440	EG	Annotated	Anodyne	
CCc1c(C)nc2cc(-c3cccc(Br)c3)[nH]n2c1=O	ZINC000103893998	EG	Annotated	Anodyne	 
CCCc1cc(=O)n2[nH]c(-c3ccc(Br)cc3)cc2n1	ZINC000103894068	EG	Annotated	Anodyne	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(O)c1	ZINC000103894780	EG	Annotated	Mild	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(O)c1	ZINC000103894785	EG	Annotated	Mild	 
O=c1c2c(nc3cc(-c4ccc(Br)cc4)[nH]n13)CCCC2	ZINC000103895383	EG	Annotated	Anodyne	 
Cc1nc2cc(-c3ccc(Br)cc3)[nH]n2c(=O)c1Cl	ZINC000103895992	EG	Annotated	Anodyne	 
CCCc1cc(=O)n2[nH]c(-c3cccc(Br)c3)cc2n1	ZINC000103904703	EG	Annotated	Anodyne	 
O=C(NN/C=C1\C(c2ccccc2)=Nc2ccccc21)c1cccnc1	ZINC000103915505	EG	Annotated	Reactive	 
CCON/C(C)=C1/C(=O)C=C(C(C)(C)C)N(c2ccccc2)C1=O	ZINC000103915973	EG	Annotated	Mild	 
CCOC(=O)c1ccc(NC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)cc1	ZINC000103917928	EG	Annotated	Mild	 
CCON/C(C)=C1/C(=O)C=C(c2ccccc2)N(c2ccccc2)C1=O	ZINC000103919625	EG	Annotated	Mild	 
O=c1c2c(nc3c(-c4cccc(Br)c4)c[nH]n13)CCCC2	ZINC000103922538	EG	Annotated	Anodyne	 
CCCCCn1c(S)nc2cc(C(=O)N(CC)CC)ccc2c1=O	ZINC000103926450	EG	Annotated	Anodyne	 
O=S(=O)(Cc1ccccc1)/C1=C(/N2CCOCC2)CCCCCC1	ZINC000103929143	EG	Annotated	Anodyne	 
COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(S)nc2c1	ZINC000103936080	EG	Annotated	Anodyne	 
CCO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1ccc(OC)cc1OC	ZINC000103942257	EG	Annotated	Anodyne	 
CCO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1ccc(OC)cc1OC	ZINC000103942260	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@@H]3O[C@]132	ZINC000103949777	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@H]3O[C@@]132	ZINC000103949782	EG	Annotated	Anodyne	 
CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nnnn21	ZINC000103963780	EG	Annotated	Anodyne	 
CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nnnn21	ZINC000103963787	EG	Annotated	Anodyne	 
CCOC(=O)c1c(N/C=C2\C=CC=C([N+](=O)[O-])C2=O)sc(C)c1C	ZINC000103979723	EG	Annotated	Mild	 
C/C(NNC(=O)COc1cccc(C)c1)=C1/C=Cc2ccccc2C1=O	ZINC000103981232	EG	Annotated	Reactive	 
O=c1nc2c(-c3cccc(Br)c3)n[nH]n2c2ccccc12	ZINC000103989642	EG	Annotated	Anodyne	 
Cc1cc(N2CCN(C3CCCCC3)CC2)[nH]c2cccc(=O)c1-2	ZINC000103990952	EG	Annotated	Anodyne	 
C=CCN1C(SCc2cccc(C#N)c2)=NN/C1=C1/C=CC=CC1=O	ZINC000103991085	EG	Annotated	Mild	 
COc1ccccc1/C=C/C=N\[C@H]1C(=O)N(c2ccccc2)[N+](C)=C1C	ZINC000104001273	EG	Annotated	Mild	 
CCCCCCCCCCS(=O)(=O)NNC=C1C=CC(=O)C=C1	ZINC000104007237	EG	Annotated	Mild	 
CC[C@@H](C)SC1=NN/C(=C2\C=Nc3ccccc32)N1CCOC	ZINC000104008243	EG	Annotated	Anodyne	 
CC[C@H](C)SC1=NN/C(=C2\C=Nc3ccccc32)N1CCOC	ZINC000104008248	EG	Annotated	Anodyne	 
COC1=CC(=O)/C(=C2/NOC(C)=C2c2ccc3ccccc3n2)C=C1	ZINC000104012317	EG	Annotated	Mild	 
C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=CC=CC1=O	ZINC000104013982	EG	Annotated	Mild	 
O=C1C=CC(Br)=C/C1=C1\C=C(c2ccccc2Cl)NN1	ZINC000104025692	EG	Annotated	Mild	 
O=C1C=CC(Br)=C/C1=C1\C=C(c2ccc(Cl)cc2)NN1	ZINC000104025725	EG	Annotated	Mild	 
CN1CCc2c(sc(N/C=C3\C=C(Cl)C=CC3=O)c2C#N)C1	ZINC000104025812	EG	Annotated	Mild	 
O=C1C=CC(=C2N=C(c3ccccc3)C(c3ccccc3)=NN2)C=C1	ZINC000104025849	EG	Annotated	Mild	 
COC1=CC(=O)/C(=C2\ONC(C)=C2c2cnn(-c3ccccc3)c2)C=C1	ZINC000104026247	EG	Annotated	Mild	 
CC1=C(c2ccccc2)N(c2ccccc2)C(=O)/C(=C(/C)NO)C1=O	ZINC000104026502	EG	Annotated	Mild	 
CCOC(=O)c1c(N/C=C2\C=C([N+](=O)[O-])C=CC2=O)sc(C)c1C	ZINC000104027374	EG	Annotated	Mild	 
COC1=C/C(=C/Nc2oc(C)c(C)c2C#N)C=C(Br)C1=O	ZINC000104027454	EG	Annotated	Mild	 
C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccccc2OC)C=C1	ZINC000104028865	EG	Annotated	Mild	 
Cc1cc2ncn(N/C=C3\C=C(Br)C=CC3=O)c2cc1C	ZINC000104029101	EG	Annotated	Mild	 
COC1=C(OC)C(=O)/C(=C2\NNC(C)=C2c2ccc(Cl)cc2)C=C1	ZINC000104029556	EG	Annotated	Mild	 
COC1=CC=C/C(=C2\N=C(NCc3ccco3)c3ccccc3N2)C1=O	ZINC000104029897	EG	Annotated	Mild	 
COC1=CC=C/C(=C2\N=C(N3CCCCC3)c3ccccc3N2)C1=O	ZINC000104029960	EG	Annotated	Mild	 
COC1=CC=C/C(=C2\N=C(N3CCC(C)CC3)c3ccccc3N2)C1=O	ZINC000104029971	EG	Annotated	Mild	 
COc1ccc([C@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1	ZINC000104046624	EG	Annotated	Mild	 
COc1ccc([C@@H]2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2C)cc1	ZINC000104046632	EG	Annotated	Mild	 
C=C1[C@H]2CC[C@]3(CC[C@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O	ZINC000104058190	EG	Annotated	Mild	 
C=C1[C@H]2CC[C@]3(CC[C@@H]4[C@@]5(CCC[C@@]4(C)CN(CCO)C5)[C@@H]3C2)[C@@H]1O	ZINC000104058194	EG	Annotated	Mild	 
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1C	ZINC000104059889	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1C	ZINC000104059895	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccccc1F	ZINC000104059990	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccccc1F	ZINC000104059992	EG	Annotated	Anodyne	
COc1ccc(CSc2nc(=O)cc(O)n2CC(C)C)cc1F	ZINC000104083355	EG	Annotated	Anodyne	 
OC1=C2C(=Nc3nc(O)nc(O)c3[C@H]2c2ccccc2)c2ccccc21	ZINC000104090457	EG	Annotated	Anodyne	
OC1=C2C(=Nc3nc(O)nc(O)c3[C@@H]2c2ccccc2)c2ccccc21	ZINC000104090462	EG	Annotated	Anodyne	
CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C\c1ccc(Cl)cc1	ZINC000104091124	EG	Annotated	Mild	 
CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C\c1ccc(Cl)cc1	ZINC000104091131	EG	Annotated	Mild	 
O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)c(/C=N/C3CC3)c2O)cc1	ZINC000104103278	EG	Annotated	Mild	
CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cccc(F)c1	ZINC000104115666	EG	Annotated	Anodyne	
CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cccc(F)c1	ZINC000104115671	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1	ZINC000104115832	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(F)cc1	ZINC000104115838	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(C)cc1	ZINC000104116058	EG	Annotated	Anodyne	
CCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1	ZINC000104116063	EG	Annotated	Anodyne	
CC1=Nc2ncnn2[C@H](c2ccncc2)/C1=C(/O)OC1CCCCC1	ZINC000104116192	EG	Annotated	Anodyne	
CC1=Nc2ncnn2[C@@H](c2ccncc2)/C1=C(/O)OC1CCCCC1	ZINC000104116198	EG	Annotated	Anodyne	
CC1=Nc2nnnn2[C@@H](c2ccccc2)/C1=C(\O)OC1CCCCC1	ZINC000104116204	EG	Annotated	Anodyne	
CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccncc1	ZINC000104116275	EG	Annotated	Anodyne	
CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccncc1	ZINC000104116281	EG	Annotated	Anodyne	
CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1	ZINC000104116436	EG	Annotated	Anodyne	
CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(F)cc1	ZINC000104116439	EG	Annotated	Anodyne	
O=C1C=C/C(=C2/Nc3ccccc3N/C2=C2\C=CC(=O)C=C2O)C(O)=C1	ZINC000104190081	EG	Annotated	Mild	 
O=C1C=CC=C/C1=C1/NN=C(COc2ccc(Cl)cc2Cl)O1	ZINC000104212071	EG	Annotated	Mild	 
C/C=C1/[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@]21CC3	ZINC000104352670	EG	Annotated	Anodyne	in-man
CC[C@H]1[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@]21CC3	ZINC000104352681	EG	Annotated	Anodyne	in-man
CC[C@@H]1[C@@H]2N3CC[C@@H]1C[C@H]1N(C(C)=O)c4c(OC)cccc4[C@]21CC3	ZINC000104352684	EG	Annotated	Anodyne	in-man
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2OC3=O	ZINC000104370301	EG	Annotated	Clean	in-man
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@H]2OC3=O	ZINC000104370306	EG	Annotated	Clean	in-man
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370385	EG	Annotated	Mild	in-man
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370387	EG	Annotated	Mild	in-man endogenous
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000104370390	EG	Annotated	Mild	in-man endogenous
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1	ZINC000104380374	EG	Annotated	Mild	in-man
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1	ZINC000104380383	EG	Annotated	Mild	in-man
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2N	ZINC000104383461	EG	Annotated	Clean	in-man
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2N	ZINC000104383466	EG	Annotated	Clean	in-man
Cn1cc(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)c2ccccc21	ZINC000104426273	EG	Annotated	Anodyne	 
CC(C)N1CCN(Cc2ccc3cc(Cl)ccc3n2)C[C@H]1CCO	ZINC000104528795	EG	Annotated	Anodyne	 
Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccccc1C(=O)O	ZINC000104695686	EG	Annotated	Mild	
Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1c(C)nn(C)c1C	ZINC000104704180	EG	Annotated	Mild	
CCN1C(=O)[C@H](CC(=O)O)S/C1=N/c1cccc(Cl)c1Cl	ZINC000104705568	EG	Annotated	Mild	 
CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/c1cccc(Cl)c1Cl	ZINC000104705574	EG	Annotated	Mild	 
COc1ccccc1-n1c(O)cc(=O)nc1SCc1ccccc1	ZINC000104706433	EG	Annotated	Anodyne	
C[C@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000105340080	EG	Annotated	Anodyne	
CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O	ZINC000105363362	EG	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@H](C)O[C@@H](C)C4)[C@H]3C[C@@H]12	ZINC000105364365	EG	Annotated	Mild	 
CN(C)/N=N\c1ccnc2c(I)cccc12	ZINC000105364505	EG	Annotated	Clean	 
CN(C)/N=N\c1ccnc2ccc(I)cc12	ZINC000105391893	EG	Annotated	Clean	 
Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@H]3CCCC[C@H]32)cc1	ZINC000105473925	EG	Annotated	Mild	 
C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3	ZINC000105474366	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@@]1(O)C3	ZINC000105474372	EG	Annotated	Mild	 
C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12	ZINC000105576365	EG	Annotated	Mild	 
C/C1=C/C=C(\C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)/C(CO)=C\CC1	ZINC000105579105	EG	Annotated	Mild	 
C=CCNc1ccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000105615590	EG	Annotated	Mild	 
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000106037974	EG	Annotated	Mild	in-man
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000106037976	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000106037980	EG	Annotated	Mild	in-man
CCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC	ZINC000108225707	EG	Annotated	Anodyne	 
CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC	ZINC000108225710	EG	Annotated	Anodyne	 
Cc1ccc(C(=O)[C@H]2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1	ZINC000110834937	EG	Annotated	Anodyne	
Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1	ZINC000110834942	EG	Annotated	Anodyne	
Cc1ccc(C(=O)[C@H]2C(=O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000110834946	EG	Annotated	Anodyne	
Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000110834950	EG	Annotated	Anodyne	
N#Cc1cn(-c2ccc(C(=O)O)cc2)c2ccc(/C=C/C(=O)O)cc12	ZINC000113275826	EG	Annotated	Anodyne	 
Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1	ZINC000113332382	EG	Annotated	Anodyne	 
Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CC1	ZINC000113334765	EG	Annotated	Anodyne	 
CCOC(=O)c1cccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)c1	ZINC000113409285	EG	Annotated	Mild	
CCOC(=O)c1cccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)c1	ZINC000113409287	EG	Annotated	Mild	
COc1c(F)cc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cc1F	ZINC000113410710	EG	Annotated	Mild	
COc1c(F)cc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cc1F	ZINC000113410713	EG	Annotated	Mild	
COc1ccc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12	ZINC000113420258	EG	Annotated	Anodyne	 
CCc1cnc(C)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12	ZINC000113420496	EG	Annotated	Anodyne	 
Cc1nc2nc(CCc3nc(-c4ccccc4)cn3C)nn2c(C)c1C	ZINC000113422603	EG	Annotated	Anodyne	 
Cn1cc(-c2ccccc2)nc1CSc1nc2ccc(C#N)cn2n1	ZINC000113422980	EG	Annotated	Anodyne	 
Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)c[nH]3)nc2n1	ZINC000113423876	EG	Annotated	Anodyne	 
COc1cc(-c2cnc3ccc(Br)cn23)cnc1OC	ZINC000113753166	EG	Annotated	Anodyne	
O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(Cl)cc1	ZINC000113894459	EG	Annotated	Anodyne	 
O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(Cl)cc1	ZINC000113894460	EG	Annotated	Anodyne	 
O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cccc(Cl)c1	ZINC000113894516	EG	Annotated	Anodyne	 
O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1cccc(Cl)c1	ZINC000113894518	EG	Annotated	Anodyne	 
O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccccc1Cl	ZINC000113894554	EG	Annotated	Anodyne	 
O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccccc1Cl	ZINC000113894556	EG	Annotated	Anodyne	 
CS(=O)(=O)Nc1ccc(-c2cnccc2Cl)c(OCCF)c1	ZINC000114028008	EG	Annotated	Anodyne	
COc1cc2sc(-c3c(-c4ccncc4)n[nH]c3N)nc2cc1F	ZINC000114399777	EG	Annotated	Anodyne	
Cc1[nH]nc(N)c1-c1nc2cc(F)c(Br)cc2s1	ZINC000114400664	EG	Annotated	Anodyne	
COc1cc2sc(-c3c(-c4ccno4)n[nH]c3N)nc2cc1F	ZINC000114409486	EG	Annotated	Anodyne	
N#Cc1ccc(Oc2ccc(-c3cccc([C@H](O)CO)n3)cc2)cc1	ZINC000114591466	EG	Annotated	Anodyne	 
N#Cc1ccc(Oc2ccc(-c3cccc([C@@H](O)CO)n3)cc2)cc1	ZINC000114591469	EG	Annotated	Anodyne	 
Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3C[C@@H]3CO)cc12	ZINC000114710647	EG	Annotated	Anodyne	
Cn1ncc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21	ZINC000114748331	EG	Annotated	Anodyne	
Cn1cnc2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccc21	ZINC000114750230	EG	Annotated	Anodyne	
c1cc2[nH]nc(-c3ccc4nc[nH]c4c3)c2c(OC2CCOCC2)n1	ZINC000114771887	EG	Annotated	Anodyne	
c1cc2[nH]nc(-c3ccc4cn[nH]c4c3)c2c(OC2CCOCC2)n1	ZINC000114771894	EG	Annotated	Anodyne	
CC(C)n1cc(-c2n[nH]c3ccnc(OCC(F)(F)F)c23)cn1	ZINC000114772262	EG	Annotated	Anodyne	
CC(C)n1cc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)cn1	ZINC000114772805	EG	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccncc4)c3C2)nc1	ZINC000114995171	EG	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccncc4)c3C2)nc1	ZINC000114995174	EG	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cccnc4)c3C2)nc1	ZINC000114996840	EG	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cccnc4)c3C2)nc1	ZINC000114996841	EG	Annotated	Anodyne	
O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(CO)(CCc2ccccc2)CC1	ZINC000011662063	EG	Annotated	Anodyne	 
Cc1c[nH]c(CN(C)c2nncc(-c3cccc4ccccc34)n2)n1	ZINC000011663716	EG	Annotated	Anodyne	 
Cc1ccn2cc(CNc3nncc(-c4ccccc4F)n3)nc2c1	ZINC000011664079	EG	Annotated	Anodyne	 
CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F	ZINC000011664088	EG	Annotated	Anodyne	 
Cc1nonc1C(=O)N1CCC[C@H](Nc2ccc(C(C)C)cc2)C1	ZINC000011665029	EG	Annotated	Anodyne	 
Cc1nonc1C(=O)N1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1	ZINC000011665030	EG	Annotated	Anodyne	 
Cc1nc2n(c1C)N=C(c1ccccc1)c1cc3c(cc1C2)OCO3	ZINC000011686762	EG	Annotated	Anodyne	
CCO[C@H](C)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21	ZINC000011687193	EG	Annotated	Anodyne	
CCO[C@H](C)n1c([S@](=O)Cc2ccccn2)nc2ccccc21	ZINC000011687194	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2nonc2C)C1	ZINC000011701910	EG	Annotated	Anodyne	 
Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2nonc2C)C1	ZINC000011701921	EG	Annotated	Anodyne	 
COc1ccc(-c2nc(CN3CCCC[C@@H]3CO)c(C)o2)c(F)c1	ZINC000011703064	EG	Annotated	Anodyne	 
COc1ccc(-c2nc(CN3CCCC[C@H]3CO)c(C)o2)c(F)c1	ZINC000011703068	EG	Annotated	Anodyne	 
Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cnsn2)C1	ZINC000011753713	EG	Annotated	Anodyne	 
Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(C(=O)c2cnsn2)C1	ZINC000011753714	EG	Annotated	Anodyne	 
CC(C)(C)NC(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1	ZINC000011753869	EG	Annotated	Anodyne	 
Cc1ccccc1CCN1CCC[C@H](CN(C)Cc2ccon2)C1	ZINC000011771843	EG	Annotated	Anodyne	 
Cc1ccccc1CCN1CCC[C@@H](CN(C)Cc2ccon2)C1	ZINC000011771846	EG	Annotated	Anodyne	 
Cc1cc(C)n(CCN(C)Cc2cn(C)nc2-c2ccccc2F)n1	ZINC000011815671	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2ccon2)c(OC)c1	ZINC000011818678	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN(C)[C@H](C)c2ccon2)c(OC)c1	ZINC000011818679	EG	Annotated	Anodyne	 
c1ccc(-n2ncc3c2CCC[C@H]3NC2CSCCSC2)nc1	ZINC000011820546	EG	Annotated	Anodyne	 
c1ccc(-n2ncc3c2CCC[C@@H]3NC2CSCCSC2)nc1	ZINC000011820547	EG	Annotated	Anodyne	 
CC(C)CC(=O)NC[C@@H]1Cc2c(F)ccc(-c3ccncc3)c2O1	ZINC000011838874	EG	Annotated	Anodyne	 
CC(C)CC(=O)NC[C@H]1Cc2c(F)ccc(-c3ccncc3)c2O1	ZINC000011838876	EG	Annotated	Anodyne	 
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NCc1nc(C)c(C)nc1C	ZINC000011840582	EG	Annotated	Anodyne	 
Cc1nc(-c2ccncc2)ncc1[C@H](C)NCc1nc(C)c(C)nc1C	ZINC000011840584	EG	Annotated	Anodyne	 
Cc1ccc(-c2nnc(CCC(=O)NCc3csc(C)n3)o2)s1	ZINC000011842648	EG	Annotated	Anodyne	 
CN1C[C@@H]2C[C@@H](c3ccccc3OC3CCCC3)N3CCC[C@@]23C1=O	ZINC000011842939	EG	Annotated	Anodyne	 
C/C(=C\c1ccco1)CN1CCC[C@@H](CNC(=O)c2cc(C)on2)C1	ZINC000011843460	EG	Annotated	Anodyne	 
C/C(=C\c1ccco1)CN1CCC[C@H](CNC(=O)c2cc(C)on2)C1	ZINC000011843461	EG	Annotated	Anodyne	 
COC(=O)c1ccc(-c2noc(CN3CCCCCCC3)n2)cc1	ZINC000011878606	EG	Annotated	Anodyne	 
COc1ccc(CC2=NO[C@@H](CNC(=O)c3sccc3C)C2)cc1	ZINC000011880869	EG	Annotated	Anodyne	 
COc1ccc(CC2=NO[C@H](CNC(=O)c3sccc3C)C2)cc1	ZINC000011880870	EG	Annotated	Anodyne	 
Cc1nc(CNc2nncc(-c3ccccc3)n2)nc2c1CCCC2	ZINC000011932802	EG	Annotated	Anodyne	 
COCC(=O)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1	ZINC000011935303	EG	Annotated	Anodyne	 
Cc1ncc(CN[C@@H]2CCCc3nc(-c4ccccc4)ncc32)n1C	ZINC000011935786	EG	Annotated	Anodyne	 
Cc1ncc(CN[C@H]2CCCc3nc(-c4ccccc4)ncc32)n1C	ZINC000011935787	EG	Annotated	Anodyne	 
OCC1(C[C@@H]2CCCCO2)CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000011936423	EG	Annotated	Anodyne	 
OCC1(C[C@H]2CCCCO2)CCN(Cc2nc3ccccc3[nH]2)CC1	ZINC000011936424	EG	Annotated	Anodyne	 
CSCC(=O)N[C@@H](C)c1cnc(N(C)C2CCCCC2)nc1C	ZINC000011946167	EG	Annotated	Anodyne	 
CSCC(=O)N[C@H](C)c1cnc(N(C)C2CCCCC2)nc1C	ZINC000011946171	EG	Annotated	Anodyne	 
Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2cnccn2)c1C	ZINC000011950208	EG	Annotated	Anodyne	 
Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2cnccn2)c1C	ZINC000011950214	EG	Annotated	Anodyne	 
CN(Cc1ccccn1)C(=O)c1cc(Cc2ccc(F)cc2)no1	ZINC000011969596	EG	Annotated	Anodyne	 
Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccn4)c3C2)nc1	ZINC000115001529	EG	Annotated	Anodyne	
Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccccn4)c3C2)nc1	ZINC000115001530	EG	Annotated	Anodyne	
Cc1nc2ccc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)cc2[nH]1	ZINC000115624798	EG	Annotated	Anodyne	
CCOC(=O)c1cc2cc(-c3nc(C(=O)OCC)[nH]c3C)ccc2[nH]1	ZINC000115836324	EG	Annotated	Anodyne	
COCCOc1cc(CC2CCNCC2)ccc1Br	ZINC000115921212	EG	Annotated	Anodyne	
CC(C)CCS(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)no1	ZINC000116693179	EG	Annotated	Anodyne	
N#Cc1cn([C@@H]2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12	ZINC000116761319	EG	Annotated	Mild	
N#Cc1cn([C@H]2CCOC2)c2ccc(-c3cc(C(=O)O)ccn3)cc12	ZINC000116761321	EG	Annotated	Mild	
C#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2	ZINC000117618086	EG	Annotated	Mild	
O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(O)ccc3C[C@@H]21	ZINC000117618752	EG	Annotated	Anodyne	
N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@@H]1C2	ZINC000117624306	EG	Annotated	Mild	
N#Cc1ccc2c(c1)[C@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2	ZINC000117624308	EG	Annotated	Mild	
N#Cc1ccc2c(c1)[C@@H]1CCCN(C(=O)c3ccc4[nH]cnc4c3)[C@H]1C2	ZINC000117624316	EG	Annotated	Mild	
O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3ccc(O)cc3C[C@@H]21	ZINC000117626667	EG	Annotated	Anodyne	
Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1	ZINC000117626837	EG	Annotated	Anodyne	
O=C1Cc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2N1	ZINC000117627725	EG	Annotated	Anodyne	
O=C1Cc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2N1	ZINC000117627734	EG	Annotated	Anodyne	
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21	ZINC000117630906	EG	Annotated	Anodyne	
O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21	ZINC000117630908	EG	Annotated	Anodyne	
CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2C2CC2)cc1	ZINC000117777829	EG	Annotated	Anodyne	 
CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2C2CC2)cc1	ZINC000117777832	EG	Annotated	Anodyne	 
CCn1c(=O)c2cnc3c(Cl)cccc3c2n(C2CCCC2)c1=O	ZINC000117804082	EG	Annotated	Bother	
COc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12	ZINC000117865020	EG	Annotated	Anodyne	
COc1ccc(C)n2nc(CCc3c[nH]c(-c4ccccc4)n3)nc12	ZINC000117871446	EG	Annotated	Anodyne	 
N#Cc1ccc(-c2nc(N)c3cc(CN4CC=CC4)sc3n2)cc1	ZINC000118605598	EG	Annotated	Mild	 
CCOc1cc(CN2CCCCC2)cc2[nH]c(=O)c3c(c12)NCCC3	ZINC000118734545	EG	Annotated	Anodyne	
COc1cc(CN(C)C2CCCC2)cc2[nH]c(=O)c3c(c12)NCCC3	ZINC000118734648	EG	Annotated	Anodyne	
Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn1-2	ZINC000118891406	EG	Annotated	Anodyne	 
CCNc1ncnc2sc(C(=O)NCc3csc(C)n3)c(C)c12	ZINC000012020280	EG	Annotated	Anodyne	
Cc1cc(-c2nnc(CCC(=O)N(C)[C@H](C)c3cccs3)o2)no1	ZINC000012052965	EG	Annotated	Anodyne	 
Cc1cc(-c2nnc(CCC(=O)N(C)[C@@H](C)c3cccs3)o2)no1	ZINC000012052968	EG	Annotated	Anodyne	 
O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1ccncc1	ZINC000012074135	EG	Annotated	Anodyne	 
O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccncc1	ZINC000012074138	EG	Annotated	Anodyne	 
c1ccc([C@@H]2CCCN(Cc3nc(-c4cnccn4)no3)CC2)cc1	ZINC000012090618	EG	Annotated	Anodyne	 
c1ccc([C@H]2CCCN(Cc3nc(-c4cnccn4)no3)CC2)cc1	ZINC000012090621	EG	Annotated	Anodyne	 
COc1cccc(C[C@@]2(CO)CCCN(Cc3cnc(C)s3)C2)c1	ZINC000012111758	EG	Annotated	Anodyne	 
COc1cccc(C[C@]2(CO)CCCN(Cc3cnc(C)s3)C2)c1	ZINC000012111759	EG	Annotated	Anodyne	 
COc1ccc(CC2=NO[C@@H](CNC(=O)c3ccccc3C)C2)cc1	ZINC000012184866	EG	Annotated	Anodyne	 
COc1ccc(CC2=NO[C@H](CNC(=O)c3ccccc3C)C2)cc1	ZINC000012184869	EG	Annotated	Anodyne	 
O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1ccncn1	ZINC000012198347	EG	Annotated	Anodyne	 
O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1ccncn1	ZINC000012198351	EG	Annotated	Anodyne	 
Cc1ccc(N[C@@H]2CCCN(C(=O)c3snnc3C)C2)cc1C	ZINC000012199643	EG	Annotated	Anodyne	 
Cc1ccc(N[C@H]2CCCN(C(=O)c3snnc3C)C2)cc1C	ZINC000012199648	EG	Annotated	Anodyne	 
O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCCO1	ZINC000012204986	EG	Annotated	Anodyne	 
CN(Cc1cn(C)nc1-c1cccc(Cl)c1)Cc1nccn1C	ZINC000012297787	EG	Annotated	Anodyne	 
CCCCc1nc2cc(C(=O)N(C)Cc3nnc(C)o3)ccc2o1	ZINC000012298702	EG	Annotated	Anodyne	 
Cc1occc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1	ZINC000012299160	EG	Annotated	Anodyne	 
Cc1occc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2F)C1	ZINC000012299161	EG	Annotated	Anodyne	 
Cc1c[nH]c(CN2CC[C@@]3(CCCN(CC4CCCCC4)C3=O)C2)n1	ZINC000012300785	EG	Annotated	Anodyne	 
Cc1c[nH]c(CN2CC[C@]3(CCCN(CC4CCCCC4)C3=O)C2)n1	ZINC000012300788	EG	Annotated	Anodyne	 
Cc1nc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1	ZINC000012301788	EG	Annotated	Anodyne	 
Cc1nc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)c[nH]1	ZINC000012301791	EG	Annotated	Anodyne	 
CN(Cc1ncc[nH]1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1	ZINC000012302559	EG	Annotated	Anodyne	 
CN(Cc1ncc[nH]1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1	ZINC000012302561	EG	Annotated	Anodyne	 
Cc1nc2ccccc2n1Cc1cc(C(=O)N2CCCCCC2)no1	ZINC000012303481	EG	Annotated	Anodyne	 
Cc1nc[nH]c1CN1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1	ZINC000012304853	EG	Annotated	Anodyne	 
O=C(NCc1ccon1)c1csc2nc(-c3cccc(F)c3)cn12	ZINC000012305355	EG	Annotated	Anodyne	 
Cc1nc(C)c(C(=O)N[C@H](C)c2cnn(-c3ccccn3)c2C)s1	ZINC000012305471	EG	Annotated	Anodyne	 
Cc1nc(C)c(C(=O)N[C@@H](C)c2cnn(-c3ccccn3)c2C)s1	ZINC000012305473	EG	Annotated	Anodyne	 
COc1ccc(-c2cnnc(N3CCC[C@@H]3c3ccccn3)n2)cc1	ZINC000012306145	EG	Annotated	Anodyne	 
COc1ccc(-c2cnnc(N3CCC[C@H]3c3ccccn3)n2)cc1	ZINC000012306146	EG	Annotated	Anodyne	 
c1cncc(CNCc2cccnc2N2CCc3ccccc3C2)c1	ZINC000012307528	EG	Annotated	Anodyne	 
CCN1CCC(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)CC1	ZINC000012307582	EG	Annotated	Anodyne	 
CCN1CCC(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1	ZINC000012307583	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN(C)C[C@@H]2CCCCO2)cc1F	ZINC000012316182	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN(C)C[C@H]2CCCCO2)cc1F	ZINC000012316183	EG	Annotated	Anodyne	 
CCn1ccnc1CN(C)Cc1cn(C)nc1-c1ccccc1F	ZINC000012316834	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN[C@@H](C)c2cn(C)nc2C)c(F)c1	ZINC000012317633	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN[C@H](C)c2cn(C)nc2C)c(F)c1	ZINC000012317634	EG	Annotated	Anodyne	 
Cc1cc(C)c2cc(CNCc3ccccc3)c3nn(C)c(=O)n3c2c1	ZINC000012325225	EG	Annotated	Anodyne	 
O=C(N1CCc2cc(O)ccc2[C@H]1c1cccs1)C(F)(F)F	ZINC000012353784	EG	Annotated	Anodyne	
O=C(N1CCc2cc(O)ccc2[C@@H]1c1cccs1)C(F)(F)F	ZINC000012353785	EG	Annotated	Anodyne	
N=C(N)c1ccc(/C=C2\CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1	ZINC000012354902	EG	Annotated	Mild	 
CCCCc1nc2cc(C(=O)N(C)CCc3cn[nH]c3)ccc2o1	ZINC000012373315	EG	Annotated	Anodyne	 
CSc1cccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)c1	ZINC000012385705	EG	Annotated	Anodyne	 
CSc1cccc(CN[C@H]2CCCc3nc(N(C)C)ncc32)c1	ZINC000012385706	EG	Annotated	Anodyne	 
Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(O)ccc3c(=O)c12	ZINC000012405797	EG	Annotated	Bother	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3ccc(O)cc3c(=O)c12	ZINC000012405799	EG	Annotated	Bother	
COc1ccc(CC2(CO)CCN(C3CCSCC3)CC2)cc1	ZINC000012429907	EG	Annotated	Anodyne	 
CN(CC[C@@H]1CCCCO1)C(=O)CCc1nnc(C2CCCCC2)o1	ZINC000012431243	EG	Annotated	Anodyne	 
CN(CC[C@H]1CCCCO1)C(=O)CCc1nnc(C2CCCCC2)o1	ZINC000012431244	EG	Annotated	Anodyne	 
COCc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)n[nH]1	ZINC000012431930	EG	Annotated	Anodyne	 
Cc1cc(CN(C)Cc2cn(C)nc2-c2cccc(Cl)c2)n[nH]1	ZINC000012434034	EG	Annotated	Anodyne	 
CN(Cc1cccnc1)C(=O)c1cc(Cn2ccc3ccccc32)[nH]n1	ZINC000012434053	EG	Annotated	Anodyne	 
CCCCn1c(CN(C)C(C)C)cnc1S(=O)(=O)CC1CCC1	ZINC000012434097	EG	Annotated	Anodyne	 
C[C@@H](Cc1ccccn1)NC(=O)CCc1nnc(C2CCCCC2)o1	ZINC000012434592	EG	Annotated	Anodyne	 
C[C@H](Cc1ccccn1)NC(=O)CCc1nnc(C2CCCCC2)o1	ZINC000012434593	EG	Annotated	Anodyne	 
CN(CC1CCN(CCc2ccccc2F)CC1)C[C@@H]1CCOC1	ZINC000012437482	EG	Annotated	Anodyne	 
CN(CC1CCN(CCc2ccccc2F)CC1)C[C@H]1CCOC1	ZINC000012437484	EG	Annotated	Anodyne	 
CCOC(=O)C1(CCOC)CCN(C2C3CC4CC(C3)CC2C4)CC1	ZINC000012439079	EG	Annotated	Anodyne	 
O=C(C1=CCCC1)N1CCC(CO)(CCOc2ccccc2)CC1	ZINC000012439332	EG	Annotated	Anodyne	 
COC1CCN(C(=O)c2cc(COc3cc(C)ccc3C)on2)CC1	ZINC000012439830	EG	Annotated	Anodyne	 
Fc1cccc(-c2cnnc(NCc3ccc4nsnc4c3)n2)c1	ZINC000012443608	EG	Annotated	Anodyne	 
Cc1cc(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1	ZINC000012446919	EG	Annotated	Anodyne	 
Cc1cc(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)n[nH]1	ZINC000012446921	EG	Annotated	Anodyne	 
Fc1cccc(CN2CCC[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)c1F	ZINC000012447604	EG	Annotated	Anodyne	 
Fc1cccc(CN2CCC[C@]3(CCN(Cc4c[nH]cn4)C3)C2)c1F	ZINC000012447607	EG	Annotated	Anodyne	 
Cc1ccc(N[C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1C	ZINC000012448432	EG	Annotated	Anodyne	 
Cc1ccc(N[C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1C	ZINC000012448433	EG	Annotated	Anodyne	 
COc1cccc(C[C@@]2(CO)CCCN(Cc3cccc(C)n3)C2)c1	ZINC000012448618	EG	Annotated	Anodyne	 
COc1cccc(C[C@]2(CO)CCCN(Cc3cccc(C)n3)C2)c1	ZINC000012448619	EG	Annotated	Anodyne	 
Cc1ccc(-c2nnc(CCC(=O)N(C)Cc3nccs3)o2)s1	ZINC000012458023	EG	Annotated	Anodyne	 
CCCn1ncc(CN2CCC(CO)(C[C@@H]3CCCCO3)CC2)c1C	ZINC000012458219	EG	Annotated	Anodyne	 
CCCn1ncc(CN2CCC(CO)(C[C@H]3CCCCO3)CC2)c1C	ZINC000012458221	EG	Annotated	Anodyne	 
Cc1ccccc1CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1	ZINC000012465224	EG	Annotated	Anodyne	 
Cc1ccccc1CC[C@H]1CCCN(C(=O)CCCn2cncn2)C1	ZINC000012465227	EG	Annotated	Anodyne	 
O=S(=O)(NC1CCCCCCC1)OCC(Cl)(Cl)Cl	ZINC000012465850	EG	Annotated	Anodyne	 
CC(C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1	ZINC000012466350	EG	Annotated	Anodyne	 
CC(C)CCNC(=O)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1	ZINC000012466622	EG	Annotated	Anodyne	 
CC(C)CCNC(=O)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1	ZINC000012466626	EG	Annotated	Anodyne	 
CC1CCC(C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)CC1	ZINC000012472800	EG	Annotated	Anodyne	 
CC(C)CN1CCC(=O)N([C@H](CN=[N+]=[N-])Cc2ccccc2)CC1	ZINC000012474229	EG	Annotated	Clean	 
CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(Cc2ccccc2)CCC1=O	ZINC000012474442	EG	Annotated	Clean	 
CCCN1CCC(=O)N([C@H](COc2ccccc2)CC(C)C)CC1	ZINC000012474469	EG	Annotated	Anodyne	 
O=C(CCC1CCN(C(=O)c2cncs2)CC1)Nc1ccccc1	ZINC000012474967	EG	Annotated	Anodyne	 
O=C(Nc1ccc2c(c1)CN(C1CCSCC1)CC2)[C@@H]1CCCO1	ZINC000012475506	EG	Annotated	Anodyne	 
O=C(Nc1ccc2c(c1)CN(C1CCSCC1)CC2)[C@H]1CCCO1	ZINC000012475510	EG	Annotated	Anodyne	 
CCCCN1CC[C@H]2C=CC[C@@H](C(=O)Nc3ccccc3)[C@H]2C1=O	ZINC000012478952	EG	Annotated	Anodyne	 
CCOC(=O)C[C@H]1c2cc(F)ccc2S(=O)(=O)N1c1ccccc1	ZINC000012479340	EG	Annotated	Anodyne	 
Cc1ccc(-c2cnnc(NCc3nc(C)c4c(n3)CCCC4)n2)o1	ZINC000012480111	EG	Annotated	Anodyne	 
NC(=O)C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1	ZINC000012482293	EG	Annotated	Anodyne	 
C=CCOC(=O)C1=C[C@H](C(C)(C)C)[C@@H](CCCO)[C@H](OCC)O1	ZINC000012482749	EG	Annotated	Mild	 
Cn1/c(=N/NC(=O)c2cccc(OC(F)F)c2)sc2ccccc21	ZINC000012484285	EG	Annotated	Reactive	 
O=C(CO/N=C\c1ccccc1OC(F)F)NCc1cccs1	ZINC000012486148	EG	Annotated	Mild	 
CN1/C(=C\C=N\NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21	ZINC000012488975	EG	Annotated	Reactive	 
CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C	ZINC000012493614	EG	Annotated	Mild	in-man endogenous
CC[C@@]1(O)C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4CC(O)=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C	ZINC000012493620	EG	Annotated	Mild	in-man endogenous
CC(=O)N(C)c1cccc(-c2nnc3ccc(-c4ccccc4)nn23)c1	ZINC000012504169	EG	Annotated	Anodyne	in-vivo
CCOC(=O)c1cc(NC(=O)Nc2cc(C)ccn2)c(C)nc1C	ZINC000012511599	EG	Annotated	Anodyne	 
CN1C=C(C(F)(F)F)C=C/C1=C(\C#N)c1nnc2n1CCCCC2	ZINC000012558833	EG	Annotated	Reactive	 
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2CC(=O)N(C)c1ccccc1	ZINC000012559315	EG	Annotated	Anodyne	 
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N	ZINC000012565657	EG	Annotated	Anodyne	aggregator
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N	ZINC000012565658	EG	Annotated	Anodyne	aggregator
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N	ZINC000012565659	EG	Annotated	Anodyne	 
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1N	ZINC000012565660	EG	Annotated	Anodyne	 
COCCN1CCC[C@@]2(CCN(Cc3cccc4cnccc34)C2)C1	ZINC000012577953	EG	Annotated	Anodyne	 
COCCN1CCC[C@]2(CCN(Cc3cccc4cnccc34)C2)C1	ZINC000012577963	EG	Annotated	Anodyne	 
COCCC(=O)N[C@@H]1CCCc2c1cnn2-c1cccc(C)c1C	ZINC000012578474	EG	Annotated	Anodyne	 
COCCC(=O)N[C@H]1CCCc2c1cnn2-c1cccc(C)c1C	ZINC000012578485	EG	Annotated	Anodyne	 
Cc1ccccc1-c1cnnc(N(C)C[C@@H]2CCN(CC(C)C)C2)n1	ZINC000012581967	EG	Annotated	Anodyne	 
Cc1ccccc1-c1cnnc(N(C)C[C@H]2CCN(CC(C)C)C2)n1	ZINC000012581973	EG	Annotated	Anodyne	 
CCN(CCn1cccn1)c1nncc(-c2cc3ccccc3o2)n1	ZINC000012585182	EG	Annotated	Anodyne	 
COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1	ZINC000012599547	EG	Annotated	Anodyne	 
COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1	ZINC000012599549	EG	Annotated	Anodyne	 
COc1ccc(/C=C/C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1	ZINC000012599553	EG	Annotated	Anodyne	 
O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)N1CCCCC1	ZINC000012599954	EG	Annotated	Anodyne	 
Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1	ZINC000012599962	EG	Annotated	Anodyne	 
Cc1ccc(OCCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1	ZINC000012599963	EG	Annotated	Anodyne	 
COc1ccc(/N=c2\scc(C)n2CCCN2CCCC2=O)cc1	ZINC000012603380	EG	Annotated	Anodyne	 
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(N)s1	ZINC000012603642	EG	Annotated	Anodyne	 
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CSc1nnc(N)s1	ZINC000012603644	EG	Annotated	Anodyne	 
COCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc24)CC3)C1	ZINC000012613257	EG	Annotated	Anodyne	 
COCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc24)CC3)C1	ZINC000012613261	EG	Annotated	Anodyne	 
Cc1nc2ccccn2c1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21	ZINC000012616810	EG	Annotated	Anodyne	
CC(C)c1ccccc1/N=C1\SCCN1[C@@H]1CCS(=O)(=O)C1	ZINC000012633140	EG	Annotated	Mild	 
CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@H]4[C@@H](C(=O)O)C1)[C@@H]32	ZINC000012655266	EG	Annotated	Anodyne	
CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4[C@@H](C(=O)O)C1)[C@@H]32	ZINC000012655269	EG	Annotated	Anodyne	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(O)ccc1N	ZINC000012656633	EG	Annotated	Anodyne	 
CCCCc1nc2cc(C(=O)NCCc3c(C)n[nH]c3C)ccc2o1	ZINC000012701191	EG	Annotated	Anodyne	 
O=C(CCc1nnc(CCC2CCCCC2)o1)N1CCSCC1	ZINC000012706099	EG	Annotated	Anodyne	 
CC(=O)c1cccc(CN[C@H]2CC(=O)N(CC3CCCCC3)C2)c1	ZINC000012715073	EG	Annotated	Anodyne	 
CC(=O)c1cccc(CN[C@@H]2CC(=O)N(CC3CCCCC3)C2)c1	ZINC000012715077	EG	Annotated	Anodyne	 
Cc1nc(C(=O)O)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000012726761	EG	Annotated	Bother	 
Cc1nc(C(=O)O)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	ZINC000012726764	EG	Annotated	Bother	 
O=C(NCc1ccco1)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1	ZINC000012727093	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1	ZINC000012727094	EG	Annotated	Anodyne	 
CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1	ZINC000012727656	EG	Annotated	Mild	 
CCCCCSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1	ZINC000012732145	EG	Annotated	Anodyne	 
C(=N\N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000012733455	EG	Annotated	Mild	 
c1cc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)c2c(c1)OCO2	ZINC000012754664	EG	Annotated	Anodyne	 
c1cc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)c2c(c1)OCO2	ZINC000012754669	EG	Annotated	Anodyne	 
COc1ccc(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)o1	ZINC000012835216	EG	Annotated	Anodyne	 
COc1ccc(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)o1	ZINC000012835218	EG	Annotated	Anodyne	 
CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2ccccc2)s1	ZINC000013081199	EG	Annotated	Mild	
O=c1c(/C=N/c2cc(O)nc(S)n2)coc2c1ccc1ccccc12	ZINC000013108979	EG	Annotated	Mild	 
CCOc1ccc2nc3c(cc2c1)CN(CCOC)/C(=N/C)S3	ZINC000013111077	EG	Annotated	Mild	 
COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OC	ZINC000013111210	EG	Annotated	Mild	 
CC(=O)c1ccc(OC(C)C)c(CSc2nc(O)cc(O)n2)c1	ZINC000013111236	EG	Annotated	Anodyne	 
CN1CCN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1	ZINC000013111243	EG	Annotated	Mild	 
C(=N\N1CCN(Cc2cccc3ccccc23)CC1)\c1cccnc1	ZINC000013111278	EG	Annotated	Mild	 
CCc1ccc(/C=N\NC(=O)c2ccc(Br)o2)s1	ZINC000013111592	EG	Annotated	Reactive	 
O=S(=O)(N/N=C\c1c(F)cccc1Cl)c1ccc(Cl)cc1	ZINC000013111596	EG	Annotated	Mild	 
Cc1n[nH]c(=S)n1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000013111847	EG	Annotated	Mild	
CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C\c1ccccc1	ZINC000013113594	EG	Annotated	Mild	 
C=CCc1ccccc1OCC(=O)N/N=C\c1ccccc1OCC	ZINC000013113745	EG	Annotated	Reactive	 
Clc1ccc(-c2nc(/C=N\N3CCOCC3)c3ccccn23)cc1	ZINC000013114168	EG	Annotated	Mild	 
O=C(N/N=C\c1ccccn1)c1cc(-c2ccc3ccccc3c2)n[nH]1	ZINC000013115026	EG	Annotated	Reactive	 
NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H]([C@H]1CC=CCC1)N2	ZINC000013118279	EG	Annotated	Clean	 
NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([C@@H]1CC=CCC1)N2	ZINC000013118280	EG	Annotated	Clean	
NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H]([C@@H]1CC=CCC1)N2	ZINC000013118281	EG	Annotated	Clean	 
C=CCOC(=O)C1=C[C@H](c2ccccc2)[C@@H](CCCO)[C@H](OCC)O1	ZINC000013118556	EG	Annotated	Mild	 
O=C(O)C1=C[C@@H](c2ccccc2)C[C@@H](OCc2ccc(CO)cc2)O1	ZINC000013118565	EG	Annotated	Anodyne	 
O=C(O)C1=C[C@H](c2ccccc2)C[C@H](OCc2ccc(CO)cc2)O1	ZINC000013118577	EG	Annotated	Anodyne	 
Cc1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c2cc(=O)ccc1-2	ZINC000013118799	EG	Annotated	Anodyne	 
COC1=C/C(=C/Nn2c(C3CCCCC3)n[nH]c2=S)C=CC1=O	ZINC000013118941	EG	Annotated	Mild	 
CCC(=O)Nc1ccc(C(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1	ZINC000013118973	EG	Annotated	Reactive	 
Cc1ccc(-c2cc(C(=O)NN/C=C3\C=Nc4ccccc43)[nH]n2)cc1	ZINC000013118992	EG	Annotated	Reactive	 
O=C(Cc1nc2ccccc2oc1=O)c1ccc(Br)cc1	ZINC000013119005	EG	Annotated	Anodyne	
CCOC1=C/C(=C/C=C2/C=C(C(=O)O)c3ccccc3N2)C=CC1=O	ZINC000013119055	EG	Annotated	Mild	 
Cc1nc(C/C(NNc2ccccc2)=C2\C=CC(=O)C=C2O)cs1	ZINC000013119076	EG	Annotated	Mild	 
COC1=C/C(=C/NN2[C@@H](C)CCC[C@@H]2C)C=C(Br)C1=O	ZINC000013119083	EG	Annotated	Mild	 
COC1=C/C(=C/NN2[C@H](C)CCC[C@H]2C)C=C(Br)C1=O	ZINC000013119086	EG	Annotated	Mild	 
COc1ccc(N2CCN(c3cc(C)c4ccc(=O)cc-4[nH]3)CC2)cc1	ZINC000013119871	EG	Annotated	Clean	 
N#CC1(C#N)[C@@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3	ZINC000013119926	EG	Annotated	Mild	
COC1=C/C(=C/NNc2cccc(C)c2)C=C(Br)C1=O	ZINC000013120270	EG	Annotated	Mild	 
CNc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1ccc2c(c1)OCO2	ZINC000013120354	EG	Annotated	Mild	 
O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1	ZINC000013121636	EG	Annotated	Clean	 
O=C(/N=N\c1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1	ZINC000013121637	EG	Annotated	Clean	 
O=C1C=CC=C/C1=C\NNc1ccnc(SCc2ccccc2)n1	ZINC000013122257	EG	Annotated	Mild	 
O=C1C=CC=C/C1=C\Nn1cnn(Cc2ccccc2Cl)c1=S	ZINC000013122260	EG	Annotated	Mild	 
Cc1ccccc1NC(=O)CCC(=O)NN/C=C1\C=Nc2ccccc21	ZINC000013122276	EG	Annotated	Reactive	 
O=C1c2ccccc2N/C(=C\C=C2/C=Nc3ccccc32)N1CCO	ZINC000013122402	EG	Annotated	Anodyne	 
CC(C)N1C(=O)/C(=C\c2nc3ccccc3c(=O)[nH]2)c2ccccc21	ZINC000013122451	EG	Annotated	Anodyne	 
O=C(Cn1ccc(C(F)(F)F)n1)/N=N\c1c(O)[nH]c2ccccc12	ZINC000013123016	EG	Annotated	Clean	
CC(=O)c1sc(NN/C=C2\C(=O)C=Cc3ccccc32)nc1C	ZINC000013123101	EG	Annotated	Mild	 
COC1=CC=C/C(=C\Nn2c(C3CCCCC3)n[nH]c2=S)C1=O	ZINC000013123190	EG	Annotated	Mild	 
O=C1C=C/C(=C\NN=C(c2ccccc2)c2ccccc2)C(O)=C1O	ZINC000013123253	EG	Annotated	Mild	 
O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/C(S)=N\C[C@@H]3CCCO3)c2c1	ZINC000013123275	EG	Annotated	Mild	
COC1=CC=C/C(=C\NNc2ncc(C(F)(F)F)cc2Cl)C1=O	ZINC000013123297	EG	Annotated	Mild	 
O=C1C=CC(=C2C=C(C(=O)Nc3ccccc3C(F)(F)F)NO2)C=C1	ZINC000013123445	EG	Annotated	Mild	 
COc1cccc([C@@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)c1	ZINC000013123743	EG	Annotated	Anodyne	 
COc1cccc([C@H]2C[C@@H](c3ccccc3Cl)n3nnnc3N2)c1	ZINC000013123744	EG	Annotated	Anodyne	 
COc1cccc([C@H]2C[C@H](c3ccccc3Cl)n3nnnc3N2)c1	ZINC000013123746	EG	Annotated	Anodyne	 
COC1=CC=C/C(=C\NNc2cc(C)nc3ccc(OC)cc23)C1=O	ZINC000013124067	EG	Annotated	Mild	 
O=C1C([N+](=O)[O-])=CC=C/C1=C\NN=C1c2ccccc2-c2ccccc21	ZINC000013124338	EG	Annotated	Mild	 
COc1cc(NN/C(C)=C2/C=CC(=O)C(C)=C2)nc(-c2ccccc2)n1	ZINC000013124356	EG	Annotated	Mild	 
CN(N/C=C1\C=CC(=O)C=C1O)c1ncc(C(F)(F)F)cc1Cl	ZINC000013125382	EG	Annotated	Mild	 
O=C1C=CC(=C2NN=C(Nc3cccc(O)c3)c3ccccc32)C=C1	ZINC000013125671	EG	Annotated	Mild	 
C[C@@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C	ZINC000013125731	EG	Annotated	Clean	 
C[C@H]1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C	ZINC000013125732	EG	Annotated	Clean	in-vitro biogenic
O=C1C=CC(=C2NN=C(Nc3ccc(O)cc3)c3ccccc32)C=C1	ZINC000013125742	EG	Annotated	Mild	 
CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C=CC(=O)C=C1	ZINC000013126205	EG	Annotated	Reactive	 
Cc1nc2ccccc2c(=O)n1N/C=C1\C=Cc2ccccc2C1=O	ZINC000013126295	EG	Annotated	Mild	 
O=C1C=CC([N+](=O)[O-])=C/C1=C\NN=C1c2ccccc2-c2ccccc21	ZINC000013126510	EG	Annotated	Mild	 
O=C1C=CC2=C(c3ccccc3C(=O)O)Nc3ccc(O)cc3OC2=C1	ZINC000013126644	EG	Annotated	Mild	 
COC1=CC=C/C(=C\NNC(=O)c2ccc(-c3ccccc3)cc2)C1=O	ZINC000013126673	EG	Annotated	Reactive	 
O=C(NN/C=C1\C=Nc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl	ZINC000013126675	EG	Annotated	Reactive	 
N#Cc1c(N/C=C2\C=CC(=O)C=C2O)sc2c1C1CCN2CC1	ZINC000013126857	EG	Annotated	Mild	 
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1\C=NN=C1c1ccccc1	ZINC000013126933	EG	Annotated	Anodyne	 
O=C(NN/C=C1\C=Nc2ccccc21)c1ccc(Br)cc1	ZINC000013130823	EG	Annotated	Reactive	 
OCCCc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2	ZINC000013131151	EG	Annotated	Anodyne	
OCCCc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2	ZINC000013131152	EG	Annotated	Anodyne	
OCCCc1nc2n(n1)[C@H](c1cccs1)CC(c1ccccc1)=N2	ZINC000013131182	EG	Annotated	Anodyne	
OCCCc1nc2n(n1)[C@@H](c1cccs1)CC(c1ccccc1)=N2	ZINC000013131184	EG	Annotated	Anodyne	
COc1ccc(CSc2nc(O)cc(=O)n2CC(C)C)cc1F	ZINC000013135973	EG	Annotated	Anodyne	
Cc1cccc(N/N=C(\C(N)=O)C2=NC(C)(C)Cc3ccccc32)c1	ZINC000013142425	EG	Annotated	Mild	 
C[C@@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C\N(C)C)nn12	ZINC000013143159	EG	Annotated	Mild	
C[C@H](Oc1cccc(Cl)c1)c1ccnc2nc(/N=C\N(C)C)nn12	ZINC000013143160	EG	Annotated	Mild	
O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O	ZINC000013146623	EG	Annotated	Anodyne	 
Cc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1C	ZINC000013146987	EG	Annotated	Anodyne	 
Cc1ccc(CC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1C	ZINC000013146988	EG	Annotated	Anodyne	 
O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1ccncc1	ZINC000013147055	EG	Annotated	Reactive	 
COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2	ZINC000013147310	EG	Annotated	Anodyne	 
COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2	ZINC000013147311	EG	Annotated	Anodyne	 
CC[C@@H]1CCCCN1[C@@H]1Sc2ccc(C(=O)OC)cc2NC1=O	ZINC000013147403	EG	Annotated	Anodyne	 
COc1cc(/N=N\c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N	ZINC000013151850	EG	Annotated	Clean	 
CC(C)c1ccccc1/N=C1\SCCN1[C@H]1CCS(=O)(=O)C1	ZINC000013152635	EG	Annotated	Mild	 
O=[N+]([O-])c1cccc(/N=N\N(CCO)c2cccc([N+](=O)[O-])c2)c1	ZINC000013154787	EG	Annotated	Clean	 
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1[C@@H]2O	ZINC000013211663	EG	Annotated	Anodyne	
NNC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12	ZINC000013218764	EG	Annotated	Reactive	
CSc1nc(Cl)c2c(n1)Sc1nc3ccccc3n1[C@H]2O	ZINC000013219182	EG	Annotated	Anodyne	
COc1cc(-c2c(C)c(C)nc(OC)c2C#N)cc(OC)c1OC	ZINC000013220965	EG	Annotated	Mild	
CO/N=C/c1c(Sc2ccccc2C(=O)OC)nc2sccn12	ZINC000013283258	EG	Annotated	Mild	 
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C	ZINC000013298258	EG	Annotated	Mild	in-vitro
CC(C)(O)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC3	ZINC000013299474	EG	Annotated	Anodyne	 
COc1c2c3c(c4c(COC(C)=O)coc14)C(=O)OC[C@H]3CC=C2	ZINC000013299895	EG	Annotated	Anodyne	 
C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@@H]1CC2	ZINC000013302511	EG	Annotated	Clean	 
COc1cc(OC(C)=O)c2c(OC(C)=O)c(C(C)=O)c(C)cc2c1	ZINC000013307189	EG	Annotated	Anodyne	 
COc1c(CC=C(C)C)c2c(c(O)c1C(C)=O)C[C@H](C(C)(C)O)O2	ZINC000013307721	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)=CC[C@@]12C(=O)C=C[C@@](O)(CC[C@H]1c1ccc(O)cc1)C2=O	ZINC000013307984	EG	Annotated	Mild	 
COC(=O)c1cncc(CC[C@H](C)c2cncc(C(=O)OC)c2C)c1	ZINC000013310783	EG	Annotated	Anodyne	 
C=CC[C@]1([C@@H](C)Cc2ccc(O)c(OC)c2)C=C2OCOC2=CC1=O	ZINC000013311457	EG	Annotated	Mild	 
COc1cc2c(cc1[C@@H]1COc3cc4occc4cc3[C@@H]1O)OCO2	ZINC000013312517	EG	Annotated	Anodyne	 
COc1cc2c(cc1[C@H]1COc3cc4occc4cc3[C@@H]1O)OCO2	ZINC000013312519	EG	Annotated	Anodyne	 
COc1cc2c(cc1[C@@H]1COc3cc4occc4cc3[C@H]1O)OCO2	ZINC000013312521	EG	Annotated	Anodyne	 
COc1cc2c(cc1[C@H]1COc3cc4occc4cc3[C@H]1O)OCO2	ZINC000013312523	EG	Annotated	Anodyne	 
CC(=O)OC[C@@]12CC[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H]1C(C)=CC(=O)C2	ZINC000013321725	EG	Annotated	Mild	 
C/C=C(\C)C(=O)O[C@@H]1C/C(CO)=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21	ZINC000013323302	EG	Annotated	Anodyne	 
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000013323885	EG	Annotated	Mild	in-man biogenic
COc1ccc(Cc2coc3c(C)c(O)c(C)c(O)c3c2=O)cc1	ZINC000013327523	EG	Annotated	Anodyne	in-vitro
C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O	ZINC000013330195	EG	Annotated	Mild	 
C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@@H]1O	ZINC000013330203	EG	Annotated	Mild	 
COC(=O)c1cc(OC)c(Cl)c2oc3cc(C)cc(O)c3c(=O)c12	ZINC000013335398	EG	Annotated	Bother	 
C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(\C)CCC1=O	ZINC000013335712	EG	Annotated	Mild	in-vitro
C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000013337079	EG	Annotated	Mild	in-man endogenous
C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O	ZINC000013337081	EG	Annotated	Mild	in-man
C=C1[C@H]2CC(=O)[C@H]([C@@H](C)O)[C@@H]2[C@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000013337082	EG	Annotated	Mild	in-man
C=C1[C@@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@@H]2[C@@H](C)O	ZINC000013337084	EG	Annotated	Mild	in-man
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C(=O)[C@@H]2OC3=O	ZINC000013337165	EG	Annotated	Clean	 
COC(=O)c1sc2ccc(O)c3c2c1-c1cccc(O)c1C3=O	ZINC000013337183	EG	Annotated	Anodyne	 
C=Cc1cncc2c(=O)n3c(cc12)-c1[nH]c2ccc(O)cc2c1CC3	ZINC000013360127	EG	Annotated	Anodyne	 
COc1cccc2c(=O)n3c(nc12)[C@@H](c1ccccc1N(C)C)CC3	ZINC000013360817	EG	Annotated	Anodyne	 
COc1cc2ccnc3c2c(c1O)-c1ccc(OC)c(OC)c1C3=O	ZINC000013365912	EG	Annotated	Anodyne	in-vitro biogenic
COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-]	ZINC000013366166	EG	Annotated	Bother	 
COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N+]1(C)[O-]	ZINC000013366169	EG	Annotated	Bother	 
CCN(C(=O)[C@@H]1[C@@H]2C[C@@H]3OC(=O)[C@H]1[C@@H]3C2)c1c(C)cc(C)cc1C	ZINC000013369801	EG	Annotated	Anodyne	 
O=C1NC(=O)[C@H]2c3c[nH]c4cccc(c34)-c3[nH]c4ccccc4c3[C@@H]12	ZINC000013372372	EG	Annotated	Anodyne	 
O=c1[nH]c(=O)c2c3c([nH]c4ccccc43)oc3cccc4[nH]cc(c1=2)c43	ZINC000013372409	EG	Annotated	Bother	 
COc1ccc2cc3c4c(c(CO)c(OC)c(OC)c4c2c1)C(=O)N3	ZINC000013372592	EG	Annotated	Bother	 
COc1c2c3c(c4c1OCO4)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@H]31	ZINC000013373025	EG	Annotated	Anodyne	in-vitro biogenic
COc1c2c3c(c4c1OCO4)-c1ccccc1[C@@H]1OC(=O)N(CC2)[C@@H]31	ZINC000013373027	EG	Annotated	Anodyne	 
CC[C@@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@@H](C1)C(O)=NC2	ZINC000013373721	EG	Annotated	Anodyne	in-man
CC[C@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@@H](C1)C(O)=NC2	ZINC000013373722	EG	Annotated	Anodyne	in-man
CC[C@@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@H](C1)C(O)=NC2	ZINC000013373723	EG	Annotated	Anodyne	in-man
CC[C@]12CCc3[nH]c4ccccc4c3CC(=O)O[C@H](C1)C(O)=NC2	ZINC000013373724	EG	Annotated	Anodyne	in-man
CC(=O)N1c2c(O)cccc2[C@@]23CCN4CCCC5(CCC12CC5)[C@H]43	ZINC000013373736	EG	Annotated	Anodyne	 
COc1cccc2c1N(C=O)C13CCC4(CCCN5CC[C@@]21[C@H]54)CC3	ZINC000013373743	EG	Annotated	Anodyne	 
C/C=C1\[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13	ZINC000013373756	EG	Annotated	Anodyne	in-man
CC[C@H](C)C[C@H](C)C(=O)c1c(O)c(-c2ccc(O)c(O)c2)c[nH]c1=O	ZINC000013373866	EG	Annotated	Clean	in-vitro
O=c1c2c(O)c(Cl)ccc2oc2cc3c(c(O)c12)[C@H]1C=CO[C@H]1O3	ZINC000013374544	EG	Annotated	Bother	 
CCOC(C)(C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12	ZINC000013374941	EG	Annotated	Anodyne	 
CC1(C)CCC[C@]2(C)c3c(c(O)c(C=O)c4c3[C@@H](O)OC4=O)CC[C@@H]12	ZINC000013376635	EG	Annotated	Anodyne	 
C[C@@H]1C2=C(CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]14)C(=O)O[C@H]2c1ccoc1	ZINC000013378509	EG	Annotated	Anodyne	in-vitro biogenic
COc1cc2c(cc1O)C[C@H]1c3c(cc(O)c(OC)c3-2)CC[N+]1(C)C	ZINC000013378606	EG	Annotated	Bother	in-vivo
CC[C@@H]1CC(=O)c2c(cc(O)c3c2C(=O)c2cccc(O)c2C3=O)C1	ZINC000013379071	EG	Annotated	Clean	in-vitro
OC[C@@H](O)C#CC#CCCCCCCCC/C=C/Br	ZINC000013379569	EG	Annotated	Mild	 
OC[C@H](O)C#CC#CCCCCCCCC/C=C/Br	ZINC000013379570	EG	Annotated	Mild	 
CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H](c1ccc(O)c(O)c1)CC3	ZINC000013379894	EG	Annotated	Clean	 
CN1CC[C@@]23C4=Nc5ccccc5[C@]2(CCN4)C1=Nc1ccccc13	ZINC000013382760	EG	Annotated	Anodyne	 
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@@H]2OC3=O	ZINC000013383634	EG	Annotated	Clean	in-man
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@@H]2OC3=O	ZINC000013383635	EG	Annotated	Clean	in-man
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@](O)(OC3)C2=O	ZINC000013383642	EG	Annotated	Clean	 
COc1cc2oc(C)cc(=O)c2c(O)c1CCC1=CC(=O)C[C@H](C)O1	ZINC000013385302	EG	Annotated	Mild	in-vitro biogenic
C[n+]1cc2c3c(cc(O)c2c2ccc4cc5c(cc4c21)OCO5)OCO3	ZINC000013385550	EG	Annotated	Bother	 
COc1cc2c(c(OC)c1Cl)C(=O)c1c(O)cc(C)cc1C2=O	ZINC000013386749	EG	Annotated	Clean	 
COc1cc2c(c(O)c1Cl)C(=O)c1c(OC)cc(C)cc1C2=O	ZINC000013386750	EG	Annotated	Clean	 
C[n+]1ccc2c([nH]c3ccccc32)c1C[C@@]1(C)CC[C@H](C(C)(C)O)O1	ZINC000013396751	EG	Annotated	Anodyne	 
O=C1CC[C@H](c2ccc(O)c3c2C(=O)CC[C@@H]3O)c2cccc(O)c21	ZINC000013398699	EG	Annotated	Anodyne	 
COc1cc2c(c3c1[nH]c1ccccc13)C[C@@H](C(C)(C)O)OC2=O	ZINC000013398947	EG	Annotated	Anodyne	 
COc1cc2c(c3c1[nH]c1ccccc13)C[C@H](C(C)(C)O)OC2=O	ZINC000013398951	EG	Annotated	Anodyne	 
C[C@@H]1CC[C@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O	ZINC000013407914	EG	Annotated	Mild	 
C[C@@H]1CC[C@@H](O)[C@@](C)(O)[C@@]1(C)CCc1ccc2c(c1)C(=O)C=CC2=O	ZINC000013407923	EG	Annotated	Mild	 
COc1ccc(C[C@@H]2c3c(ccc(OC)c3O)CC[N+]2(C)C)cc1O	ZINC000013410017	EG	Annotated	Clean	 
C=CC(C)(C)c1c(O)cc2oc3c(O)c(O)ccc3c(=O)c2c1O	ZINC000013412058	EG	Annotated	Mild	in-vitro biogenic
COc1cc2c(cc1OC)Oc1c(O)ccc3c1[C@H](C2)[N+](C)([O-])CC3	ZINC000013412150	EG	Annotated	Bother	 
CC(=O)C[C@]1(O)C(=O)C2=C(OC[C@@H]2C)c2ccc3c(C)cccc3c21	ZINC000013431681	EG	Annotated	Mild	 
C=C1C[C@H](OC(=O)CC(C)C)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O	ZINC000013432617	EG	Annotated	Mild	 
COc1ccc2c(c1)C(=O)c1c(N)c(OC)c(OC)c3ccnc-2c13	ZINC000013432679	EG	Annotated	Anodyne	in-vitro biogenic
COc1ccc2c(c1)C(=O)c1c(O)c(OC)c(OC)c3ccnc-2c13	ZINC000013432682	EG	Annotated	Anodyne	 
COc1cc2c(cc1O)cc1c3c(cc(OC)c(O)c32)CCN1C	ZINC000013434340	EG	Annotated	Bother	 
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(=NCC3)C2	ZINC000013434343	EG	Annotated	Anodyne	 
COc1cc2cc(C)c(C)c(C3=C[C@H](OC)[C@H](O)C=C3)c2cc1O	ZINC000013434349	EG	Annotated	Anodyne	in-man
COc1cc2cc(C)c(C)c(C3=C[C@@H](OC)[C@H](O)C=C3)c2cc1O	ZINC000013434351	EG	Annotated	Anodyne	in-man
COc1cc2cc(C)c(C)c(C3=C[C@H](OC)[C@@H](O)C=C3)c2cc1O	ZINC000013434352	EG	Annotated	Anodyne	in-man
COc1cc2cc(C)c(C)c(C3=C[C@@H](OC)[C@@H](O)C=C3)c2cc1O	ZINC000013434353	EG	Annotated	Anodyne	in-man
COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OCC1CC1	ZINC000013438951	EG	Annotated	Anodyne	
COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OCC1CC1	ZINC000013438956	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(N3CCNCC3)cc(-c3cccs3)c2c1	ZINC000013439745	EG	Annotated	Bother	
CC(=O)N1CCc2c(sc(N)c2C(=O)c2ccccc2Cl)C1	ZINC000013442658	EG	Annotated	Anodyne	
CC(=O)/C=C/c1cc(O)c(O)c(Br)c1Br	ZINC000013450166	EG	Annotated	Mild	 
C[C@H](C=O)Cc1cc(O)c(O)c(Br)c1Br	ZINC000013450178	EG	Annotated	Mild	 
C/C(C=O)=C\c1cc(O)c(O)c(Br)c1Br	ZINC000013450205	EG	Annotated	Reactive	 
C[N+](C)(C)CCc1cc(Br)c(O)c(Br)c1	ZINC000013450419	EG	Annotated	Bother	 
O=C(NCCc1cnc[nH]1)c1cc(Cl)cc2c1O[C@H]1CCCC[C@@H]21	ZINC000013451357	EG	Annotated	Anodyne	
c1ccc2c(c1)c(C1=NC[C@@]3(CN4CCC3CC4)O1)cn2CC1CC1	ZINC000013451726	EG	Annotated	Anodyne	
c1ccc2c(c1)c(C1=NC[C@]3(CN4CCC3CC4)O1)cn2CC1CC1	ZINC000013451730	EG	Annotated	Anodyne	
Cc1cc(O)c2c(c1)C(=O)c1c(Cl)c(O)c(Cl)c(O)c1C2=O	ZINC000013451760	EG	Annotated	Clean	 
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2	ZINC000013456992	EG	Annotated	Anodyne	in-vitro biogenic
Cn1c(=O)c2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3	ZINC000013458939	EG	Annotated	Bother	 
COc1c(O)ccc2c1c(=O)n(C)c1c3cc4c(cc3ccc21)OCO4	ZINC000013458985	EG	Annotated	Bother	 
CC[C@H]1C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO	ZINC000013459068	EG	Annotated	Bother	 
C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000013460496	EG	Annotated	Mild	 
C=CC[C@]1(OC)C=C2C(=CC1=O)O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000013460500	EG	Annotated	Mild	 
COc1cc([C@H]2Oc3c(OC)cc(C=O)cc3[C@@H]2C)cc(O)c1OC	ZINC000013462145	EG	Annotated	Anodyne	 
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O	ZINC000013465468	EG	Annotated	Anodyne	 
CN(C)CCONC[C@H]1CC[C@]2(O)C[C@@H](c3ccccc3)CC[C@]12C	ZINC000013471877	EG	Annotated	Anodyne	
Cc1cccc([C@H]2CC[C@]3(C)[C@@H](/C=N/OCCN)CC[C@]3(O)C2)c1	ZINC000013471880	EG	Annotated	Mild	
CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3cccnc3)CC[C@]12C	ZINC000013471884	EG	Annotated	Mild	
CN(C)CCO/N=C/[C@H]1CC[C@]2(O)C[C@@H](c3ccncc3)CC[C@]12C	ZINC000013471885	EG	Annotated	Mild	
CCc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1nnn[nH]1	ZINC000013472130	EG	Annotated	Anodyne	
Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(O)c2)o1	ZINC000013473011	EG	Annotated	Anodyne	
CNc1nc(N)c2c(n1)N[C@H](c1ccccc1)[C@H](c1ccccc1)N2	ZINC000013474459	EG	Annotated	Anodyne	
CNc1nc(N)c2c(n1)N[C@H](c1ccccc1)[C@@H](c1ccccc1)N2	ZINC000013474460	EG	Annotated	Anodyne	
CNc1nc(N)c2c(n1)N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2	ZINC000013474461	EG	Annotated	Anodyne	
CNc1nc(N)c2c(n1)N[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2	ZINC000013474462	EG	Annotated	Anodyne	
Nc1nc2c(c(N3CCCCC3)n1)N[C@H](c1ccc(Cl)cc1)CN2	ZINC000013474485	EG	Annotated	Anodyne	
Nc1nc2c(c(N3CCCCC3)n1)N[C@@H](c1ccc(Cl)cc1)CN2	ZINC000013474486	EG	Annotated	Anodyne	
CCN(CC)c1nc(N)nc2c1N[C@H](c1ccc(Cl)cc1)CN2	ZINC000013474495	EG	Annotated	Anodyne	
CCN(CC)c1nc(N)nc2c1N[C@@H](c1ccc(Cl)cc1)CN2	ZINC000013474496	EG	Annotated	Anodyne	
CSC[C@H]1C(=S)Nc2ccc(O)cc2N1C(=O)OC(C)C	ZINC000013474533	EG	Annotated	Anodyne	
Cc1cccc2oc(-c3ccccc3Cl)c/c(=N\N=C(N)N)c12	ZINC000013474680	EG	Annotated	Mild	
Cc1cccc(C)c1Nc1nc2c3c(ccc2[nH]1)C(C)(C)C(=O)NC3=O	ZINC000013475184	EG	Annotated	Anodyne	
CC[C@@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1	ZINC000013475234	EG	Annotated	Anodyne	
CC[C@H]1CN2C(=O)N(C)c3nc(/C=C/c4ccccc4)n(C)c3C2=N1	ZINC000013475235	EG	Annotated	Anodyne	
CC1=CS[C@@](O)(c2ccc(-c3ccccc3)cc2)c2noc(=O)n21	ZINC000013475258	EG	Annotated	Anodyne	
CC1=CS[C@](O)(c2ccc(-c3ccccc3)cc2)c2noc(=O)n21	ZINC000013475259	EG	Annotated	Anodyne	
CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12	ZINC000013475527	EG	Annotated	Anodyne	
CCCCc1nc2[nH]cnc2c2nc(-c3ccc(N(C)C)cc3)nn12	ZINC000013475531	EG	Annotated	Anodyne	
NC1=N[C@@H](c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1	ZINC000013476296	EG	Annotated	Anodyne	
NC1=N[C@H](c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(N)=N1	ZINC000013476298	EG	Annotated	Anodyne	
Cc1nc(C(=O)NC2CC2)sc1[C@@]1(C)CC(c2ccccc2)=NO1	ZINC000013478235	EG	Annotated	Anodyne	 
Cc1nc(C(=O)NC2CC2)sc1[C@]1(C)CC(c2ccccc2)=NO1	ZINC000013478238	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1	ZINC000013478541	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1	ZINC000013478543	EG	Annotated	Anodyne	 
CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1	ZINC000013479197	EG	Annotated	Mild	
COc1cc2c(cc1O)c(=O)n(C)c1c3cc4c(cc3ccc21)OCO4	ZINC000013480065	EG	Annotated	Bother	in-vitro biogenic
CS/C=C/C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000013480086	EG	Annotated	Anodyne	 
CC(C)CC(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000013480088	EG	Annotated	Anodyne	 
CC(C)CC(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000013480089	EG	Annotated	Anodyne	in-vitro biogenic
CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3	ZINC000013480263	EG	Annotated	Anodyne	 
Cn1c(=N)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3	ZINC000013480267	EG	Annotated	Bother	 
CC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)C[C@](C)(O)CC3=O	ZINC000013480349	EG	Annotated	Anodyne	 
CC(C)=CCOc1cc(O)c2c(O)c3c(cc2c1)C[C@@](C)(O)CC3=O	ZINC000013480350	EG	Annotated	Anodyne	in-vitro biogenic
COc1cc(OC)c2c(O)c3c(c(OC)c2c1)O[C@@H](C)[C@@H](C)C3=O	ZINC000013480479	EG	Annotated	Anodyne	 
COc1cc(OC)c2c(O)c3c(c(OC)c2c1)O[C@@H](C)[C@H](C)C3=O	ZINC000013480480	EG	Annotated	Anodyne	 
C[C@H]1Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2C1(C)C	ZINC000013480662	EG	Annotated	Clean	 
C[C@@H]1Oc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2C1(C)C	ZINC000013480663	EG	Annotated	Clean	 
C[C@@H]1Oc2cc(O)c3c(=O)c4cc(O)c(O)cc4oc3c2C1(C)C	ZINC000013480669	EG	Annotated	Clean	 
CC(C)C1=CC2=CC=C3C(C)(C)[C@@H](O)C(=O)C[C@]3(C)C2=C(O)C1=O	ZINC000013480768	EG	Annotated	Mild	 
CC(C)c1cc2c(cc1O)[C@@]1(C)C(=O)CCC(C)(C)[C@@H]1[C@H](O)C2=O	ZINC000013480838	EG	Annotated	Anodyne	 
CC(C)c1cc2c(cc1O)[C@@]1(C)C(=O)CCC(C)(C)[C@H]1[C@H](O)C2=O	ZINC000013480840	EG	Annotated	Anodyne	 
C[C@H](CO)c1cc2c(cc1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O	ZINC000013480845	EG	Annotated	Anodyne	 
COc1cc(OC)c2c(c1)[C@@H](Cc1ccc(OC)c(OC)c1)OC2=O	ZINC000013481916	EG	Annotated	Anodyne	 
C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O	ZINC000013483441	EG	Annotated	Mild	 
C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O	ZINC000013484139	EG	Annotated	Anodyne	 
C[C@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O	ZINC000013484140	EG	Annotated	Anodyne	 
C[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O	ZINC000013484141	EG	Annotated	Anodyne	 
C[C@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O	ZINC000013484142	EG	Annotated	Anodyne	 
C[C@@H]1[C@H](O)C[C@@]2(C)C(CO)=CCC[C@@H]2[C@@]1(C)CC[C@H]1COC(=O)C1	ZINC000013484346	EG	Annotated	Anodyne	 
CC(C)C1=C2CC[C@](C)(OC(=O)[C@H]3OC3(C)C)C(=O)C[C@@]2(C)CC1=O	ZINC000013484578	EG	Annotated	Mild	 
CC(C)=CCc1cc(/C=C/C(=O)O)c(O)c(C/C=C(\C)CO)c1O	ZINC000013485398	EG	Annotated	Anodyne	 
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CCC(=O)[C@@H](C)[C@]12C	ZINC000013486229	EG	Annotated	Anodyne	in-man
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@H]2CCC(=O)[C@@H](C)[C@@]21C	ZINC000013486230	EG	Annotated	Anodyne	in-man
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CCC(=O)[C@@H](C)[C@]12C	ZINC000013486231	EG	Annotated	Anodyne	in-man
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@H]2CCC(=O)[C@@H](C)[C@@]21C	ZINC000013486232	EG	Annotated	Anodyne	in-man
C=C1CC[C@@H](OC(C)=O)[C@]2(C)C[C@]3(OCC)OC(=O)C(C)=C3C[C@@H]12	ZINC000013486867	EG	Annotated	Mild	 
CSc1nccc(-c2c(-c3ccccc3)nc3nc(N)ccn23)n1	ZINC000013487231	EG	Annotated	Anodyne	
C=CCN1C(=S)c2c(C)c3c(OC)cc(OC)cc3n2C1=S	ZINC000013487569	EG	Annotated	Mild	
c1ccc(Cc2ccc(OCCn3cnc4cncnc43)cc2)cc1	ZINC000013488420	EG	Annotated	Anodyne	
c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1	ZINC000013488421	EG	Annotated	Anodyne	
c1ccc(Cc2ccc(OCCn3cncc4ncnc3-4)cc2)cc1	ZINC000013488422	EG	Annotated	Anodyne	
c1ccc(Cc2ccc(OCCn3cnc4ncnc-4c3)cc2)cc1	ZINC000013488423	EG	Annotated	Anodyne	
O=C(O)c1cc2cc(O)c(O)cc2c([C@@H](O)c2ccccc2Cl)n1	ZINC000013490158	EG	Annotated	Clean	
O=C(O)c1cc2cc(O)c(O)cc2c([C@H](O)c2ccccc2Cl)n1	ZINC000013490159	EG	Annotated	Clean	
COC(=O)[C@@H](Sc1cnc(NC(C)=O)s1)C1CCCCC1	ZINC000013490972	EG	Annotated	Anodyne	
COC(=O)[C@H](Sc1cnc(NC(C)=O)s1)C1CCCCC1	ZINC000013490973	EG	Annotated	Anodyne	
CC(=O)CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)cn12	ZINC000013492009	EG	Annotated	Anodyne	
CN(C)CCCNC1=Nc2cccnc2Nc2ccc(Cl)cc21	ZINC000013492100	EG	Annotated	Anodyne	
O=C(OCc1cccs1)c1cnn2c1nnc1ccc(Cl)cc12	ZINC000013492637	EG	Annotated	Anodyne	
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O	ZINC000013509031	EG	Annotated	Mild	in-vitro
CC(=O)O/C=C(/CC=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O	ZINC000013520385	EG	Annotated	Mild	 
CC(C)=CCCC(=O)Nc1cccnc1C(=O)Nc1nccs1	ZINC000013521876	EG	Annotated	Anodyne	
O=C(Nc1nccs1)c1ncccc1OC(=O)C1CCCCC1	ZINC000013521909	EG	Annotated	Anodyne	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc(O)cc1	ZINC000013524336	EG	Annotated	Reactive	 
O=C(OCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1	ZINC000013524812	EG	Annotated	Bother	
COC(=O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3)oc12	ZINC000013526401	EG	Annotated	Bother	
O=C(O)Cc1cccc2c(=O)c3c(oc12)-c1ccccc1OC(=O)N3	ZINC000013526468	EG	Annotated	Anodyne	
NCCOCCOCCNCc1c2ccccc2cc2ccccc12	ZINC000013529675	EG	Annotated	Bother	
CCCN(CCC)C(=O)/C(=C\[C@@H]1CCCN1)c1ccc(OC)cc1	ZINC000013530035	EG	Annotated	Anodyne	
CCCN(CCC)C(=O)/C(=C\[C@H]1CCCN1)c1ccc(OC)cc1	ZINC000013530038	EG	Annotated	Anodyne	
CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO	ZINC000013533589	EG	Annotated	Anodyne	
O=C1Nc2ccc(F)c3c(OCCCO)cc(-c4ccc[nH]4)c1c23	ZINC000013535956	EG	Annotated	Anodyne	
COc1ccc(COc2ccccc2-c2cc(CCO)on2)cc1	ZINC000013536246	EG	Annotated	Anodyne	
COc1cc(OC)c2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12	ZINC000013536400	EG	Annotated	Anodyne	
O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Cl)c3)ccc12)C1CC1	ZINC000013538574	EG	Annotated	Anodyne	
O=C(CCNC(=O)c1ccccc1)/N=N\c1c(O)[nH]c2ccccc12	ZINC000013543926	EG	Annotated	Clean	
Fc1ccccc1NC(=S)Nc1ccc(CN2CCOCC2)cc1	ZINC000013544733	EG	Annotated	Anodyne	 
CCN(CC)C(=O)CN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1	ZINC000013553557	EG	Annotated	Anodyne	
CCN(CC)C(=O)CN1C(=O)Nc2ccccc2[C@H]1c1ccccc1	ZINC000013553558	EG	Annotated	Anodyne	
CNNC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1	ZINC000013553605	EG	Annotated	Reactive	
COc1cc2c(cc1OC)C(c1ccccc1)=NN(C)C(=S)C2	ZINC000013555783	EG	Annotated	Anodyne	
CC[C@@H](C)Sc1nc(Cc2cccc([N+](=O)[O-])c2)c(C)c(=O)[nH]1	ZINC000013556483	EG	Annotated	Bother	
CC[C@H](C)Sc1nc(Cc2cccc([N+](=O)[O-])c2)c(C)c(=O)[nH]1	ZINC000013556485	EG	Annotated	Bother	
CCC[C@@]1(CC(=O)O)c2ccc(Cl)cc2-c2nc(O)c(O)nc21	ZINC000013558314	EG	Annotated	Anodyne	
CCC[C@]1(CC(=O)O)c2ccc(Cl)cc2-c2nc(O)c(O)nc21	ZINC000013558315	EG	Annotated	Anodyne	
COC1=CC(=O)c2c(c(CO)c(-c3ccc4ccccc4c3)n2C)C1=O	ZINC000013558517	EG	Annotated	Mild	
COc1cc2c3c4c(cc5c3n(c2cc1OC)C(=O)CC5)CNCC4	ZINC000013558721	EG	Annotated	Anodyne	
COc1cc2c3c4c(cc5c3n(c2cc1OC)C(=O)CC5)CCNC4	ZINC000013558734	EG	Annotated	Anodyne	
CC(=O)O/N=C1/C(c2c(O)[nH]c3cc(F)ccc23)=Nc2ccccc21	ZINC000013559466	EG	Annotated	Mild	
COc1c(O)c(C(=O)CCc2ccccc2)c(OC)c2c1OCC2	ZINC000013560650	EG	Annotated	Anodyne	
CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1	ZINC000013561111	EG	Annotated	Anodyne	
Cn1c(O)c(/N=N\C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	ZINC000013564141	EG	Annotated	Clean	
Cn1c(O)c(/N=N\C(=O)[C@H]2COc3ccccc3O2)c2ccccc21	ZINC000013564143	EG	Annotated	Clean	
Cc1cccc(NC2=C(Cl)C(=O)O[C@H]2OC(=O)c2ccco2)c1	ZINC000013572166	EG	Annotated	Anodyne	 
C[C@@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1ccccc1F	ZINC000013573082	EG	Annotated	Anodyne	 
C[C@H]1CC(C)(C)NC(=S)N1CCCC(=O)Nc1ccccc1F	ZINC000013573085	EG	Annotated	Anodyne	 
COc1cc(N/C(=N/C2CCCC2)NC#N)cc(C(F)(F)F)c1	ZINC000013580110	EG	Annotated	Mild	
N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccccc1	ZINC000013580865	EG	Annotated	Mild	
C/C(=N/O)c1c(-c2ccc(F)cc2)n2c3c(cccc13)C(=O)NCC2	ZINC000013584552	EG	Annotated	Mild	
CSc1nn(-c2cccc(Cl)c2Cl)c2nc(C)[nH]c(=O)c12	ZINC000013585066	EG	Annotated	Anodyne	
CSc1nn(-c2ccc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12	ZINC000013585070	EG	Annotated	Anodyne	
CSc1nn(-c2cc(Cl)ccc2Cl)c2nc(C)[nH]c(=O)c12	ZINC000013585074	EG	Annotated	Anodyne	
CSc1nn(-c2c(Cl)cccc2Cl)c2nc(C)[nH]c(=O)c12	ZINC000013585080	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CC)=C\C[C@H]12	ZINC000013585349	EG	Annotated	Mild	 
C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CC)=C\C[C@H]12	ZINC000013585350	EG	Annotated	Mild	 
O=C(COc1ccc2ccccc2c1)c1cc(O)c(O)c([N+](=O)[O-])c1	ZINC000013585701	EG	Annotated	Clean	
O=C(COc1cccc2ccccc12)c1cc(O)c(O)c([N+](=O)[O-])c1	ZINC000013585705	EG	Annotated	Clean	
COc1ccc(C(=O)COc2cccc([N+](C)(C)C)c2)cc1OC	ZINC000013586888	EG	Annotated	Bother	
CNC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1	ZINC000013587430	EG	Annotated	Anodyne	
CCCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)[C@@H](N)CCC)n1	ZINC000013588003	EG	Annotated	Anodyne	
COc1cc(/C=N/N=C(\S)Cc2ccccc2)c(O)c(OC)c1	ZINC000013589614	EG	Annotated	Mild	
CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNC(=O)C(C)C	ZINC000013590028	EG	Annotated	Anodyne	
O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@H]1CC=C[C@@H]31	ZINC000013590516	EG	Annotated	Anodyne	 
Cc1c(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cnn1C	ZINC000013593443	EG	Annotated	Anodyne	 
Cc1c(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cnn1C	ZINC000013593446	EG	Annotated	Anodyne	 
CCn1cc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cn1	ZINC000013593674	EG	Annotated	Anodyne	 
CCn1cc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cn1	ZINC000013593676	EG	Annotated	Anodyne	 
Cc1n[nH]c(C)c1CCN(C)Cc1cn(C)nc1-c1ccccc1F	ZINC000013593731	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN(C)Cc2ccccn2)c(OC)c1	ZINC000013593740	EG	Annotated	Anodyne	 
COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)cc1F	ZINC000013593742	EG	Annotated	Anodyne	 
COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccoc3C)C2)cc1F	ZINC000013593744	EG	Annotated	Anodyne	 
CC(C)NC(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1	ZINC000013594027	EG	Annotated	Anodyne	 
CC(C)NC(=O)C1CCN(C2CCN(C[C@H]3CC=CCC3)CC2)CC1	ZINC000013594512	EG	Annotated	Anodyne	 
CC(C)NC(=O)C1CCN(C2CCN(C[C@@H]3CC=CCC3)CC2)CC1	ZINC000013594514	EG	Annotated	Anodyne	 
COc1ccc(-c2[nH]ncc2CN(C)Cc2cccnc2)c(F)c1	ZINC000013594859	EG	Annotated	Anodyne	 
O=C(CCc1nnc(-c2ccccc2)o1)NCc1c(F)cccc1F	ZINC000013595015	EG	Annotated	Anodyne	 
Fc1ccc([C@@H]2CCCN2Cc2nc(-c3cnccn3)no2)cc1	ZINC000013595456	EG	Annotated	Anodyne	 
Fc1ccc([C@H]2CCCN2Cc2nc(-c3cnccn3)no2)cc1	ZINC000013595460	EG	Annotated	Anodyne	 
O=C1C=CC=CC1=C1c2cc(O)c(O)cc2Oc2cc(O)c(O)cc21	ZINC000013597410	EG	Annotated	Mild	
O=C(O)c1ccccc1CSc1n[nH]c2c3ccccc3nc-2n1	ZINC000013597949	EG	Annotated	Anodyne	
CCCC1=Nc2nc(C)nn2[C@H](c2cccnc2)/C1=C(\O)OCC	ZINC000013598680	EG	Annotated	Anodyne	
CN1Cc2ccccc2[C@@](C)(c2ccccc2)N=C1CN1CCOCC1	ZINC000013600326	EG	Annotated	Anodyne	
CN1Cc2ccccc2[C@](C)(c2ccccc2)N=C1CN1CCOCC1	ZINC000013600328	EG	Annotated	Anodyne	
O=C(c1cccs1)n1nc(-c2cccnc2)c2ccccc2c1=O	ZINC000013600569	EG	Annotated	Anodyne	
Oc1cc2c(cc1O)CN(C(=S)NCCc1ccc(Cl)cc1)C2	ZINC000013601141	EG	Annotated	Clean	
CC(C)(C)NCCCCNCCCCNCCCCNC(C)(C)C	ZINC000013602322	EG	Annotated	Anodyne	
COC1=CC(=O)c2cc3c(cc2C1=O)C(=O)c1occ2c1[C@@]3(C)CCC2	ZINC000013603677	EG	Annotated	Mild	 
COC1=CC(=O)c2cc3c(cc2C1=O)[C@]1(C)CCCc2coc(c21)C3=O	ZINC000013603679	EG	Annotated	Mild	 
N#Cc1c(Cc2c(O)noc2C2CCNCC2)ccc2ccccc12	ZINC000013607821	EG	Annotated	Mild	
CN(C[C@@H](O)c1ccccc1)c1cc(=O)n2ccc3ccccc3c2n1	ZINC000013608235	EG	Annotated	Bother	
CN(C[C@H](O)c1ccccc1)c1cc(=O)n2ccc3ccccc3c2n1	ZINC000013608238	EG	Annotated	Bother	
CCNC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Br)cc21	ZINC000013608261	EG	Annotated	Anodyne	
CCNC(=O)N[C@H]1CC(C)(C)Oc2ccc(Br)cc21	ZINC000013608264	EG	Annotated	Anodyne	
Cc1cccc(-n2s/c(=N/CCCO)nc2-c2ccccc2)c1	ZINC000013609572	EG	Annotated	Anodyne	
O=C(O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCCCCO)O1	ZINC000013634595	EG	Annotated	Anodyne	 
O=C(O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1	ZINC000013634751	EG	Annotated	Anodyne	 
CCO[C@H]1OC(C(=O)Nc2ccccc2)=C[C@@H](C2CC2)[C@@H]1CCCO	ZINC000013634832	EG	Annotated	Anodyne	 
CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](C2CC2)[C@H]1CCCO	ZINC000013634836	EG	Annotated	Anodyne	 
O=C(Nc1ccccc1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1	ZINC000013634847	EG	Annotated	Anodyne	 
O=C(Nc1ccccc1)C1=C[C@H](C2CC2)C[C@H](OCCCCO)O1	ZINC000013634986	EG	Annotated	Anodyne	 
CC(C)OC(=O)c1cc2c(O)nc(C(Cl)(Cl)Cl)nc2o1	ZINC000013638162	EG	Annotated	Anodyne	 
C=CCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O	ZINC000013641992	EG	Annotated	Mild	
C=CCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O	ZINC000013641995	EG	Annotated	Mild	
O=C1N(Cc2ccco2)C(=S)NC1(c1ccccc1)c1ccccc1	ZINC000013642224	EG	Annotated	Anodyne	
Cn1cccc1C(=O)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000013645927	EG	Annotated	Anodyne	
Cn1cccc1C(=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000013645930	EG	Annotated	Anodyne	
CCCN(CCC)c1nc(N)nc2c1N[C@H](c1ccccc1)CN2	ZINC000013648210	EG	Annotated	Anodyne	
CCCN(CCC)c1nc(N)nc2c1N[C@@H](c1ccccc1)CN2	ZINC000013648213	EG	Annotated	Anodyne	
COc1ccc2c(c1C(=O)NCCN(C)C)Nc1ccccc1S2	ZINC000013650335	EG	Annotated	Anodyne	
CC[n+]1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1	ZINC000013651144	EG	Annotated	Anodyne	
CC[n+]1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1	ZINC000013651145	EG	Annotated	Anodyne	
Cc1ccn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1	ZINC000013651168	EG	Annotated	Anodyne	
Cc1ccn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1	ZINC000013651169	EG	Annotated	Anodyne	
Cc1cnn(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1	ZINC000013651170	EG	Annotated	Anodyne	
Cc1cnn(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1	ZINC000013651171	EG	Annotated	Anodyne	
CC[n+]1cccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000013651180	EG	Annotated	Anodyne	
CC[n+]1cccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000013651181	EG	Annotated	Anodyne	
Cc1cc(OC[C@@H](O)Cn2cnc3ccccc32)c2ccccc2n1	ZINC000013651233	EG	Annotated	Anodyne	
Cc1cc(OC[C@H](O)Cn2cnc3ccccc32)c2ccccc2n1	ZINC000013651234	EG	Annotated	Anodyne	
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccncc1)O2	ZINC000013651304	EG	Annotated	Anodyne	
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccncc1)O2	ZINC000013651305	EG	Annotated	Anodyne	
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccn1)O2	ZINC000013651306	EG	Annotated	Anodyne	
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccn1)O2	ZINC000013651307	EG	Annotated	Anodyne	
C[C@]12C=CC(=O)C=C1CC[C@@H]1OC3(CC=C12)C(=O)c1ccccc1C3=O	ZINC000013651646	EG	Annotated	Mild	
Cc1cc(OCCN(C)C)cc2oc3c(c12)C(=O)c1ccccc1C3=O	ZINC000013651665	EG	Annotated	Clean	
Cc1c(C)c2c(c(C)c1N)C[C@](C)(CS(=O)(=O)c1ccccc1)O2	ZINC000013652125	EG	Annotated	Anodyne	
Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CS(=O)(=O)c1ccccc1)O2	ZINC000013652126	EG	Annotated	Anodyne	
NC(=O)C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1	ZINC000013656546	EG	Annotated	Anodyne	 
CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](C)[C@@H]1CCCO	ZINC000013656778	EG	Annotated	Anodyne	 
O=C(O)C1=C[C@H](c2cccs2)C[C@H](OCc2ccc(CO)cc2)O1	ZINC000013657289	EG	Annotated	Anodyne	 
NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12	ZINC000013662151	EG	Annotated	Anodyne	 
NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12	ZINC000013662229	EG	Annotated	Anodyne	 
O=C1NC[C@H](c2ccccc2)N(CCc2cccc3ccccc23)C1=O	ZINC000013662254	EG	Annotated	Anodyne	 
COc1ccc(O)cc1NC(=O)NC(=O)c1ccc(F)cc1Cl	ZINC000013673951	EG	Annotated	Anodyne	in-vivo
CC(=O)n1nc(N)c2c(-c3ccccc3)c(-c3ccccc3)nnc21	ZINC000013674798	EG	Annotated	Anodyne	
O=c1c(-c2ccco2)nnc2n(-c3ccccc3)c3ccccc3n12	ZINC000013675610	EG	Annotated	Anodyne	
COc1ccc(-c2nc3c(N)nc4ccc(Cl)cc4n3n2)cc1	ZINC000013677381	EG	Annotated	Anodyne	
O=C(CCN1CCC[C@@H]2CCCC[C@@H]21)c1ccc(O)c(O)c1[N+](=O)[O-]	ZINC000013677677	EG	Annotated	Clean	
O=C(CCN1CCC[C@H]2CCCC[C@@H]21)c1ccc(O)c(O)c1[N+](=O)[O-]	ZINC000013677679	EG	Annotated	Clean	
O=C1NC(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1	ZINC000013680085	EG	Annotated	Anodyne	
O=C1NC(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1	ZINC000013680087	EG	Annotated	Anodyne	
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1nc2ccccc2o1	ZINC000013680833	EG	Annotated	Mild	
CC(C)c1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)cc1	ZINC000013683330	EG	Annotated	Mild	
COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3)c2c1C	ZINC000013684233	EG	Annotated	Anodyne	
CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2ccccc2)s1	ZINC000013685697	EG	Annotated	Mild	
Fc1c(F)c(F)c(/C=N/NC(=S)Nc2cccnc2)c(F)c1F	ZINC000013686034	EG	Annotated	Mild	 
CC(C)(C)c1cc(/C=C2\OC(NC#N)=NC2=O)cc(C(C)(C)C)c1O	ZINC000013734190	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCC(=O)N1c1ccccc1-2	ZINC000013735058	EG	Annotated	Anodyne	
CC(=O)[C@@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1	ZINC000013736580	EG	Annotated	Mild	
CC(=O)[C@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1	ZINC000013736583	EG	Annotated	Mild	
CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1	ZINC000013736586	EG	Annotated	Mild	
CC(=O)[C@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@@H]2C1	ZINC000013736589	EG	Annotated	Mild	
O=C1c2c(O)cccc2Cc2cc(Cc3cc(O)ccc3O)cc(O)c21	ZINC000013736895	EG	Annotated	Anodyne	
O=C1c2c(O)cccc2Cc2ccc(Cc3cc(O)ccc3O)c(O)c21	ZINC000013736933	EG	Annotated	Anodyne	
COc1cc(CCN2CCCCC2)c(OC)cc1Br	ZINC000013737379	EG	Annotated	Anodyne	
COc1ccc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)c[nH]c2c1	ZINC000013737454	EG	Annotated	Anodyne	
COc1ccc2c(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)c[nH]c2c1	ZINC000013737455	EG	Annotated	Anodyne	
O=C(c1ccccc1)n1c2cc(O)c(O)cc2c2cc(O)c(O)cc21	ZINC000013737759	EG	Annotated	Clean	
COC(=O)c1ccc(C(=O)[C@@H]2C(=S)N(C)c3ccccc32)cc1	ZINC000013740096	EG	Annotated	Anodyne	
COc1cc(C2=Cc3ccccc3C3=NCCN23)cc(OC)c1OC	ZINC000013740214	EG	Annotated	Anodyne	
C1=C(c2ccc(CN3CCOCC3)cc2)N2CCN=C2c2ccccc21	ZINC000013740220	EG	Annotated	Anodyne	
CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccn(C)c32)C1(C)C	ZINC000013741376	EG	Annotated	Anodyne	
Cn1nc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1	ZINC000013741387	EG	Annotated	Anodyne	
O=c1oc2ccc(Cl)cc2c2nc(-c3cccc(F)c3F)nn12	ZINC000013741684	EG	Annotated	Anodyne	
O=c1oc2ccc(Cl)cc2c2nc(-c3c(F)cccc3F)nn12	ZINC000013741685	EG	Annotated	Anodyne	
CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(OC(C)C)cc12	ZINC000013741854	EG	Annotated	Mild	
c1ccc2c(c1)OCCc1c(N3CCNCC3)nc3ccccc3c1-2	ZINC000013742141	EG	Annotated	Anodyne	
C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)[C@@H](C(=O)Nc1ccccc1)C2	ZINC000013742781	EG	Annotated	Reactive	
C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)[C@H](C(=O)Nc1ccccc1)C2	ZINC000013742782	EG	Annotated	Reactive	
CC1(C)C[C@H](C(=O)Nc2c(Cl)cccc2Cl)C(=O)[C@H]2O[C@H]21	ZINC000013742792	EG	Annotated	Anodyne	 
C#Cc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1	ZINC000013743208	EG	Annotated	Mild	
CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(=O)[nH]c21	ZINC000013744662	EG	Annotated	Anodyne	
CC(C)N(O)C(=O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2	ZINC000013745516	EG	Annotated	Anodyne	
CN(O)C(=O)C(C)(C)Cc1ccc2c(c1)C(=O)c1ccccc1CO2	ZINC000013745520	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccccc1	ZINC000013746030	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccccc1	ZINC000013746032	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1nccn1Cc1ccccc1	ZINC000013746042	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1nccn1Cc1ccccc1	ZINC000013746044	EG	Annotated	Anodyne	
CCNc1ccccc1C[S@@](=O)c1nccn1-c1ncccc1C	ZINC000013746188	EG	Annotated	Anodyne	
CCNc1ccccc1C[S@](=O)c1nccn1-c1ncccc1C	ZINC000013746190	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1nc(-c2ccccc2)cn1C	ZINC000013746233	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1nc(-c2ccccc2)cn1C	ZINC000013746235	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@@](=O)c1ncc(-c2ccccc2)n1C	ZINC000013746245	EG	Annotated	Anodyne	
CN(C)c1ccccc1C[S@](=O)c1ncc(-c2ccccc2)n1C	ZINC000013746247	EG	Annotated	Anodyne	
O=[S@@](Cc1ccccc1-n1cccc1)c1nccn1-c1ccccn1	ZINC000013746273	EG	Annotated	Anodyne	
O=[S@](Cc1ccccc1-n1cccc1)c1nccn1-c1ccccn1	ZINC000013746275	EG	Annotated	Anodyne	
CCCOc1ccccc1-c1nc2c(c(C)nn2CCC)c(=O)[nH]1	ZINC000013755567	EG	Annotated	Anodyne	
CCN1CCC[C@@H]1Cn1cnc2c3c(Cl)cccc3nc-2c1O	ZINC000013758372	EG	Annotated	Anodyne	 
CS(=O)(=O)N=c1c(-c2ccccc2)c(O)[nH]c2cc(Cl)ccc12	ZINC000013761230	EG	Annotated	Anodyne	
Clc1ccccc1Cn1nnc2c(NC3CCCC3)ncnc21	ZINC000013778485	EG	Annotated	Anodyne	
CCOC(=O)c1ncc2[nH]c3cc(OC)c(OC)cc3c2c1CC	ZINC000013780136	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=O)CC[C@@H]12	ZINC000013780192	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1N	ZINC000013780613	EG	Annotated	Mild	
COc1ccc(C[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1N	ZINC000013780614	EG	Annotated	Mild	
COc1ccc(CCNCC[C@@H]2CNc3ccccc3O2)cc1OC	ZINC000013780744	EG	Annotated	Anodyne	
COc1ccc(CCNCC[C@H]2CNc3ccccc3O2)cc1OC	ZINC000013780745	EG	Annotated	Anodyne	
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C	ZINC000013783617	EG	Annotated	Mild	
CC1=C2[C@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C	ZINC000013783618	EG	Annotated	Mild	
CC1(C)C=C(n2ccccc2=O)c2cc(C=C(C#N)C#N)ccc2O1	ZINC000013795400	EG	Annotated	Reactive	
CONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1	ZINC000013796271	EG	Annotated	Anodyne	
Cc1ccc(CC2(O)CCN(CCC#Cc3ccc(N)cc3)CC2)cc1	ZINC000013798592	EG	Annotated	Mild	
N#C/C(=C\C(=O)NCCc1ccc(O)cc1)c1ccc(Cl)cc1	ZINC000013799952	EG	Annotated	Reactive	
N=C(N)c1ccc(/C=C2/CC/C(=C\c3ccc(C(=N)N)cc3)C2=O)cc1	ZINC000013803379	EG	Annotated	Mild	 
Cc1ccc([C@H](O)[C@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1	ZINC000013804571	EG	Annotated	Anodyne	
CC[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1	ZINC000013806467	EG	Annotated	Mild	
C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)c(Cl)c1)C(C)(C)C	ZINC000013806469	EG	Annotated	Mild	
CCCc1cc(C#N)ccc1/N=c1\c(O)c(O)\c1=N/[C@H](C)C(C)(C)C	ZINC000013806478	EG	Annotated	Mild	
C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1Cl)C(C)(C)C	ZINC000013806488	EG	Annotated	Mild	
CC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1ccc(Cl)cc1Cl	ZINC000013806568	EG	Annotated	Anodyne	
CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(C)cc(C)cc1Cl	ZINC000013806610	EG	Annotated	Anodyne	
S=C(NCc1ccccc1Cl)N1CCC(c2c[nH]cn2)CC1	ZINC000013808013	EG	Annotated	Anodyne	
CN1CCN(c2nc(-c3ccoc3)cc(-c3cccs3)n2)CC1	ZINC000013808405	EG	Annotated	Anodyne	
CCCC[C@@H](CC(=O)NO)[S@@](=O)c1ccc(Br)cc1	ZINC000013808959	EG	Annotated	Anodyne	
CCCC[C@H](CC(=O)NO)[S@@](=O)c1ccc(Br)cc1	ZINC000013808961	EG	Annotated	Anodyne	
CCCC[C@@H](CC(=O)NO)[S@](=O)c1ccc(Br)cc1	ZINC000013808963	EG	Annotated	Anodyne	
CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc(Br)cc1	ZINC000013808965	EG	Annotated	Anodyne	
COC(=O)C[C@@H]1Oc2cc3oc4c(c3cc2O1)C(=O)CC(C)(C)C4	ZINC000013813003	EG	Annotated	Anodyne	
COc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21	ZINC000013813445	EG	Annotated	Anodyne	 
COc1ccccc1[C@H]1CC(=O)Oc2cc(OC)c(OC)c(OC)c21	ZINC000013813449	EG	Annotated	Anodyne	 
CCOC(=O)C1=C(C)c2ccccc2O[C@]1(C(=O)OCC)C(C)C	ZINC000013813711	EG	Annotated	Anodyne	 
CCOC(=O)C1=C(C)c2ccccc2O[C@@]1(C(=O)OCC)C(C)C	ZINC000013813713	EG	Annotated	Anodyne	 
COc1ccc2c(c1)OC(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000013814405	EG	Annotated	Anodyne	 
COc1ccc2c(c1)OC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000013814409	EG	Annotated	Anodyne	 
COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1C)CC(=O)O2	ZINC000013814753	EG	Annotated	Anodyne	 
COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1C)CC(=O)O2	ZINC000013814757	EG	Annotated	Anodyne	 
CCOC(=O)[C@@H]1C/C(=C\C(C)=O)c2cccc(C(F)(F)F)c2O1	ZINC000013814775	EG	Annotated	Mild	
CCOC(=O)[C@H]1C/C(=C\C(C)=O)c2cccc(C(F)(F)F)c2O1	ZINC000013814778	EG	Annotated	Mild	
CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C	ZINC000013816545	EG	Annotated	Anodyne	 
C=CCN1C=C2C(=O)[C@](C)(OC(=O)CC)C(=O)C=C2C=C1CCCC	ZINC000013817370	EG	Annotated	Mild	 
C=CCN1C=C2C(=O)[C@@](C)(OC(=O)CC)C(=O)C=C2C=C1CCCC	ZINC000013817374	EG	Annotated	Mild	 
COc1cc(OC)c2c(c1)O[C@@H]1Cc3cc(OC)c(OC)cc3[C@H]2O1	ZINC000013817695	EG	Annotated	Anodyne	
COc1cc(OC)c2c(c1)O[C@H]1Cc3cc(OC)c(OC)cc3[C@@H]2O1	ZINC000013817698	EG	Annotated	Anodyne	
OC[C@@H](O)CNc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12	ZINC000013818414	EG	Annotated	Anodyne	
OC[C@H](O)CNc1cc([C@@H]2CCc3ccccc3C2)nc2ccccc12	ZINC000013818415	EG	Annotated	Anodyne	
OC[C@@H](O)CNc1cc([C@H]2CCc3ccccc3C2)nc2ccccc12	ZINC000013818417	EG	Annotated	Anodyne	
OC[C@H](O)CNc1cc([C@H]2CCc3ccccc3C2)nc2ccccc12	ZINC000013818419	EG	Annotated	Anodyne	
CC1(C)c2cc(C(F)(F)F)ccc2[C@@H](N2CCCCC2=O)[C@@H]1O	ZINC000013820467	EG	Annotated	Anodyne	
O=C(O)c1cc(=O)c2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1	ZINC000013821211	EG	Annotated	Anodyne	
CCc1c(OC)nc2nc(-c3nnc(-c4ccccc4)o3)cn2c1C	ZINC000013822397	EG	Annotated	Anodyne	
NC[C@@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O	ZINC000013824664	EG	Annotated	Anodyne	
NC[C@H]1O[C@H](c2ccccc2)Cc2c1ccc(Br)c2O	ZINC000013824666	EG	Annotated	Anodyne	
C[C@@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21	ZINC000013824855	EG	Annotated	Anodyne	
C[C@H](C(=O)N(C)C)n1c(-c2ccc(Cl)cc2)nc2cccnc21	ZINC000013824857	EG	Annotated	Anodyne	
CN(C)C(=O)CCn1c(-c2ccc(Cl)cc2)nc2cccnc21	ZINC000013824859	EG	Annotated	Anodyne	
CN(C)C(=O)Cn1c(-c2ccc(Cl)cc2)nc2c(Cl)ccnc21	ZINC000013824877	EG	Annotated	Anodyne	
CCN(C)CC#CCCC(=O)C(O)(c1ccccc1)c1ccccc1	ZINC000013825143	EG	Annotated	Mild	
Cc1cccc(COc2ccc(-c3nn(CCC#N)c(=O)o3)cc2)c1	ZINC000013826697	EG	Annotated	Mild	
Cc1cccc(COc2ccc(C3=NN(CCC#N)C(=O)CO3)cc2)c1	ZINC000013826741	EG	Annotated	Mild	
CN(C(=O)c1ccoc1)c1ccccc1I	ZINC000013828761	EG	Annotated	Anodyne	
CNC(=O)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1	ZINC000013829065	EG	Annotated	Anodyne	
CNC(=O)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1	ZINC000013829092	EG	Annotated	Anodyne	 
CNC(=O)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1	ZINC000013829094	EG	Annotated	Anodyne	 
C[C@@H](C(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1c(F)cccc1Cl	ZINC000013829241	EG	Annotated	Anodyne	 
C=C1CCN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccccc21	ZINC000013830924	EG	Annotated	Mild	
C[C@H](C(=O)OCO/N=[N+](\[O-])N1CCCC1)c1cccc2ccccc12	ZINC000013831448	EG	Annotated	Clean	
Cc1cc(F)cc(C)c1Cn1cnc2c(cnn2C(C)(C)C)c1=O	ZINC000013831806	EG	Annotated	Anodyne	 
Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)c[nH]c3c2F)cc(C)n1	ZINC000013832972	EG	Annotated	Anodyne	
CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12	ZINC000013837638	EG	Annotated	Anodyne	in-man endogenous
CC1(C)C=C2C(=NN(c3ccccc3C(F)(F)F)C(N)=C2C#N)CO1	ZINC000013838657	EG	Annotated	Reactive	
CC1(C)C=C2C(=NN(c3cccc(C(F)(F)F)c3)C(N)=C2C#N)CO1	ZINC000013838659	EG	Annotated	Reactive	
Cn1cc(-c2noc([C@H]3CN4CCC3CC4)n2)c2cc(F)ccc21	ZINC000013860837	EG	Annotated	Anodyne	
CN1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc2C1=O	ZINC000013861413	EG	Annotated	Anodyne	
Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3CCCC3)nc21	ZINC000013861462	EG	Annotated	Mild	
CC1=C(CCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O	ZINC000013861906	EG	Annotated	Mild	
CC1=C(CCCNC(=O)OC(C)(C)C)C(=O)c2c(O)cccc2C1=O	ZINC000013861907	EG	Annotated	Mild	
CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(Cl)cc2)n1	ZINC000013862371	EG	Annotated	Anodyne	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccnc1	ZINC000013879030	EG	Annotated	Anodyne	 
FC(F)(F)c1cnc(NNC(=S)Nc2cccnc2)c(Cl)c1	ZINC000013879056	EG	Annotated	Anodyne	 
CCN1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4	ZINC000013907295	EG	Annotated	Anodyne	
CN[C@H](c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1	ZINC000013917986	EG	Annotated	Anodyne	
O=C(C[C@H]1CN2CCC1CC2)Nc1ccc2cccc([N+](=O)[O-])c2c1	ZINC000013974849	EG	Annotated	Bother	 
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(/C=[N+](\[O-])C1CC1)O2	ZINC000013981579	EG	Annotated	Mild	
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(/C=[N+](\[O-])C1CC1)O2	ZINC000013981581	EG	Annotated	Mild	
COc1ccc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)cn1	ZINC000013981591	EG	Annotated	Anodyne	
CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)O2	ZINC000013982265	EG	Annotated	Anodyne	
CNC[C@@H](O)[C@H](c1ccccc1)N1CC(C)(C)c2cccc(F)c21	ZINC000013985198	EG	Annotated	Anodyne	
C[C@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@H]12)O[C@@]1(C)OC[C@H](C)[C@H]1C4	ZINC000135947472	EG	Annotated	Anodyne	
CC(C)(O)/C=C/C=C1/COC(=O)[C@@H]2[C@@H]1CC[C@]1(C)[C@@H]3CC[C@]21CO3	ZINC000136065868	EG	Annotated	Anodyne	
CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@@H](O)C=C1C=O	ZINC000136085190	EG	Annotated	Reactive	
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CCC[C@H]([C@@]1(C)[C@H](O)C(=O)c1ccoc1)[C@@]23C	ZINC000136294993	EG	Annotated	Anodyne	
CCCC/C=C/C=C/[C@@H]1CCC[C@H]2N[C@@H](C)[C@@H](OC(=O)CO)C[C@@H]12	ZINC000136395974	EG	Annotated	Anodyne	
COC/C=C/c1cc(OC)c2c(c1)[C@@H](CO)[C@H](c1ccc(O)cc1)O2	ZINC000136421076	EG	Annotated	Anodyne	
CC1(C)Oc2c(ccc3c(=O)c4c(O)cccc4oc23)C[C@@]1(C)O	ZINC000136532669	EG	Annotated	Bother	
COC(=O)c1c2ccn(CCN)cc2c(C)c2c1nc1ccccc12	ZINC000136541458	EG	Annotated	Anodyne	 
COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1	ZINC000136658190	EG	Annotated	Anodyne	
COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1/C=C/c1ccccc1	ZINC000136658237	EG	Annotated	Anodyne	
CCc1c(O)n([C@@H](C)CC)c(SCC(=O)c2ccccc2)nc1=O	ZINC000136669879	EG	Annotated	Anodyne	 
CCc1c(O)n([C@H](C)CC)c(SCC(=O)c2ccccc2)nc1=O	ZINC000136669908	EG	Annotated	Anodyne	 
C/C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1	ZINC000136716374	EG	Annotated	Anodyne	
Clc1cc(Cl)c2nc(SCCN3CCOCC3)[nH]c2c1	ZINC000136899978	EG	Annotated	Anodyne	
CO[C@@H]1C(C=O)=CC[C@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O	ZINC000136921031	EG	Annotated	Reactive	
CCN(C(C)=O)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1	ZINC000136943932	EG	Annotated	Anodyne	
C/C=C1/COC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21	ZINC000136952174	EG	Annotated	Anodyne	 
COc1cc2ccc([C@@](O)(c3cnc[nH]3)C(C)C)cc2cc1OC	ZINC000136993347	EG	Annotated	Anodyne	
CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H]1C[C@@H](O)[C@@H]2O	ZINC000137076967	EG	Annotated	Anodyne	
C[C@]12CC(=O)c3ccoc3[C@@H]3CC=C4C(=O)OC[C@@]4(C[C@@H]4O[C@@]41C)[C@H]32	ZINC000137238852	EG	Annotated	Anodyne	
C=C1C/C=C\[C@@](C)(O)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000137309729	EG	Annotated	Mild	
C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC1	ZINC000137365029	EG	Annotated	Anodyne	
C=CCN(CC=C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21	ZINC000137373075	EG	Annotated	Mild	
CC1=C2C[C@H]3C(=O)C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O	ZINC000137446425	EG	Annotated	Anodyne	
Cc1c(C(=O)OCc2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O	ZINC000137450027	EG	Annotated	Anodyne	 
CC(=O)O[C@H]1CCC2=CCC[C@H](C)[C@@]2(C)[C@H]2O[C@@]2(C)[C@H]1OC(C)=O	ZINC000137453900	EG	Annotated	Anodyne	
CC(=O)O[C@H]1CC[C@@]23O[C@@H]2CC[C@H](C)[C@@]3(C)C=C(C)[C@H]1OC(C)=O	ZINC000137454071	EG	Annotated	Anodyne	
C[C@@H]1CC=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@@]2(C)O	ZINC000137458968	EG	Annotated	Mild	
Cc1ccc2c3c(ccc2c1C)C(=O)C1=C(OC[C@@H](C)[C@@H]1CO)C3=O	ZINC000137467274	EG	Annotated	Mild	 
Cn1ncc2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c21	ZINC000137548322	EG	Annotated	Bother	
Cn1ncc2c3c(ccc21)ncc1c(=O)n(-c2ccc(Cl)cc2)[nH]c13	ZINC000137549112	EG	Annotated	Bother	
Cn1cnc2c3c(ccc21)ncc1c(=O)n(-c2ccc(Cl)cc2)[nH]c13	ZINC000137549304	EG	Annotated	Bother	
Cn1cc2c(ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c32)n1	ZINC000137549385	EG	Annotated	Bother	
Cn1ncc2cc3c(cc21)ncc1c(=O)n(-c2ccc(Cl)cc2)[nH]c13	ZINC000137549475	EG	Annotated	Bother	
C[C@@H]1C[C@H]2OC(=O)[C@H]3CCCC(=C32)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000137641515	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12	ZINC000137737701	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12	ZINC000137737789	EG	Annotated	Mild	
CC1(C)C[C@H]([C@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br	ZINC000137748476	EG	Annotated	Reactive	
CC1(C)C[C@@H]([C@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br	ZINC000137748565	EG	Annotated	Reactive	
CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br	ZINC000137748618	EG	Annotated	Reactive	
CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br	ZINC000137748696	EG	Annotated	Reactive	
NC(=O)c1cc[n+](CCCCCCCN2C=CC(=CN=O)C=C2)cc1	ZINC000137758216	EG	Annotated	Anodyne	 
NC(=O)c1ccc[n+](CCCCCCCN2C=CC(=CN=O)C=C2)c1	ZINC000137758358	EG	Annotated	Anodyne	 
COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)[O-])cc1	ZINC000137893008	EG	Annotated	Bother	 
Cn1c(NC2=NC3(CCCC3)C3=C(CCCC3=O)N2)nc2ccccc21	ZINC000138190786	EG	Annotated	Mild	 
Cn1cc(-c2nncc3nc(Nc4ccc(F)cc4F)ccc23)cn1	ZINC000138228270	EG	Annotated	Anodyne	
Fc1ccc(Oc2ccc3c(-c4cn[nH]c4)nncc3n2)c(F)c1	ZINC000138255021	EG	Annotated	Anodyne	
CCc1cc2c(=O)n(CCCn3cnc(C)c3)c(=S)[nH]c2s1	ZINC000138342166	EG	Annotated	Anodyne	 
Cc1cn(CCCn2c(=S)[nH]c3sc(C)c(C)c3c2=O)cn1	ZINC000138361959	EG	Annotated	Anodyne	 
Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cn1	ZINC000138362377	EG	Annotated	Anodyne	 
C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2c(OC)cccc12	ZINC000138366295	EG	Annotated	Anodyne	
O=c1c2c3c(sc2[nH]c(=S)n1CCCn1ccnc1)CCCC3	ZINC000138385634	EG	Annotated	Anodyne	 
CS(=O)(=O)c1cnc(C(=O)CCCCCCc2ccccc2)o1	ZINC000138468778	EG	Annotated	Anodyne	 
CCC(=O)[C@H](C)C(=O)O[C@H]([C@@H](C)C(=O)CC)[C@@H](C)C(=O)[C@H](C)CC	ZINC000138580288	EG	Annotated	Anodyne	
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@]23C	ZINC000138629394	EG	Annotated	Mild	in-vitro
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C\[C@](C)(O)CC/C=C(/CC1)C(=O)O2	ZINC000138775548	EG	Annotated	Anodyne	
C=C(C)[C@H](O)Cc1c(OC)c(OC)cc2nc3occc3c(OC)c12	ZINC000138808275	EG	Annotated	Mild	
C/C=C1/CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1CCO	ZINC000138934847	EG	Annotated	Anodyne	 
CC1(C)CCC[C@]2(C)[C@H]3C[C@@]4(O)OC(=O)C=C4[C@@](C)(O)[C@@H]3CC[C@@H]12	ZINC000138978900	EG	Annotated	Anodyne	
CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)N=C(N)N	ZINC000139041111	EG	Annotated	Mild	
CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H](O3)[C@H]2OC1	ZINC000139046416	EG	Annotated	Anodyne	
C=C1CC[C@@H](OC(C)=O)[C@@](C)(O)[C@@H](OC(C)=O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000139097032	EG	Annotated	Mild	
COc1ccc(C[C@@H]2COc3c(C)c(O)c(C)c(OC)c3C2=O)cc1	ZINC000139118647	EG	Annotated	Anodyne	
C[C@@]1(O)C=Cc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1	ZINC000139118955	EG	Annotated	Anodyne	
C[C@]1(O)C=Cc2c(c(O)cc3cc(-c4cc(O)cc(O)c4)oc23)OC1	ZINC000139119086	EG	Annotated	Anodyne	 
COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=CC(C)=C(C1)[C@H]23	ZINC000139137553	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)Oc1c(OC)cc(/C=C/COC(C)=O)cc1OC	ZINC000139149203	EG	Annotated	Anodyne	
CC(C)=CCC1=C2C=C[C@@](C)(O)CO[C@]2(O)c2ccccc2C1=O	ZINC000139212288	EG	Annotated	Mild	
COc1c2c(cc3c1[nH]c1ccccc13)C(=O)O[C@@H](C(C)(C)O)C2	ZINC000139239678	EG	Annotated	Anodyne	
O=C(O)c1ccc([S@](=O)Cc2cccc(C(F)(F)F)c2)cn1	ZINC000139269521	EG	Annotated	Anodyne	
O=C(O)c1ccc([S@@](=O)Cc2cccc(C(F)(F)F)c2)cn1	ZINC000139269577	EG	Annotated	Anodyne	
Cc1cc2c(cc1C)[n+](=O)c(C(=O)Nc1ccccc1C)c(C)n2O	ZINC000139316811	EG	Annotated	Anodyne	 
N#Cc1c(-c2ccccc2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O	ZINC000139328406	EG	Annotated	Mild	 
C1=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCOC1	ZINC000139355762	EG	Annotated	Anodyne	 
Cc1cn(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1	ZINC000139364475	EG	Annotated	Anodyne	 
O=C1Nc2ccccc2[C@]1(O)c1c[nH]c2ccc(Br)cc12	ZINC000139440250	EG	Annotated	Anodyne	 
O=C1Nc2ccccc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12	ZINC000139440368	EG	Annotated	Anodyne	 
C[C@]1(CC(=O)O)CC[C@@]2(O)C(=C[C@H]3OC(=O)[C@@]4(C)CCC[C@@]2(C)[C@@H]34)C1	ZINC000139483647	EG	Annotated	Anodyne	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O	ZINC000139553715	EG	Annotated	Mild	
C=C1CC=C[C@]2(C)CC[C@H](/C(C=O)=C/C=C/C(C)(C)O)[C@H]1C(=O)O2	ZINC000139554702	EG	Annotated	Reactive	
C=C1CC[C@@H]2[C@](C)(C=O)C(=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O	ZINC000139626039	EG	Annotated	Mild	
CC(=O)C[C@H]1CCC2=C(NC(C)=O)C[C@@H]3C[C@@H](C)C[C@@]24[C@@H]3CCCN14	ZINC000139716498	EG	Annotated	Anodyne	
C[C@@]12CC[C@H]3C[C@@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C	ZINC000139769600	EG	Annotated	Mild	 
Cc1ccc(C(=O)N2CC(c3nccnc3-c3ccccc3)C2)nc1	ZINC000139808199	EG	Annotated	Anodyne	 
O=C1C(=O)c2c(nc3ccc(Br)cn23)-c2ccccc21	ZINC000139809924	EG	Annotated	Anodyne	 
COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@](C)(O)[C@H]2C)ccc1O	ZINC000139897290	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2[C@H]1C=C(C=O)C[C@@H](O)O1	ZINC000139925991	EG	Annotated	Reactive	
c1ccc(-c2ccc3nnc(Cc4ccc5nccnc5c4)n3n2)cc1	ZINC000139953809	EG	Annotated	Anodyne	 
Cc1cc(C)c(CNC(=O)c2cccc3c2ccn3C(C)C)c(=O)[nH]1	ZINC000139979473	EG	Annotated	Anodyne	 
CO[C@@H]1O[C@@]2(c3ccc(C(=O)O)cc3)CC[C@H]3CCCC[C@]31OO2	ZINC000014128377	EG	Annotated	Reactive	 
CO[C@H]1O[C@@]2(c3ccc(C(=O)O)cc3)CC[C@H]3CCCC[C@@]13OO2	ZINC000014128378	EG	Annotated	Reactive	
O=C(O)c1ccc([C@@]23CC[C@H]4CCC[C@H]5CCO[C@H](O2)[C@]54OO3)cc1	ZINC000014164330	EG	Annotated	Reactive	
c1ncn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1	ZINC000014177080	EG	Annotated	Reactive	
CC1=CC2=NC[C@H](C(=O)c3ccc(Br)cc3)CN2C=C1	ZINC000014191822	EG	Annotated	Anodyne	
O=c1oc2cc(Cl)ccc2n1CN(Cc1cccnc1)C1CC1	ZINC000014259001	EG	Annotated	Anodyne	 
CC(C)c1ccc2c(c1O)CC[C@@H]1C3=C(CC[C@]21C)C(=O)O[C@@H]3O	ZINC000014407180	EG	Annotated	Anodyne	
CO[C@]1(CO)C[C@@]23CC[C@@H]4C5=CC(=O)O[C@@H]5CC[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000014407830	EG	Annotated	Anodyne	
CC(C)(O)c1ccc2c(c1)[C@H](O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C	ZINC000014410967	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3	ZINC000014421006	EG	Annotated	Anodyne	in-vitro biogenic
CC(=O)C[C@@]1(O)c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21	ZINC000014440770	EG	Annotated	Anodyne	 
CC(=O)C[C@]1(O)c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21	ZINC000014440771	EG	Annotated	Anodyne	 
O=C1CCC(=O)c2c1c(O)c(O)c1c2-c2ccc(O)c3c(O)ccc-1c23	ZINC000014441468	EG	Annotated	Clean	 
CCO[C@H]1CN2CCc3c([nH]c4ccccc34)CC[C@@]3(CCO[C@@H]13)C2	ZINC000014442031	EG	Annotated	Anodyne	
CC1=Cc2cccc3c2C(=CC(=O)[C@@]32Oc3cc(O)cc(C)c3C2=O)O1	ZINC000014448364	EG	Annotated	Mild	 
C=C(CC[C@@H](/C=C/[C@@](C)(O)CC(=O)OC)C(C)C)[C@@H]1CCC(=O)O1	ZINC000014485679	EG	Annotated	Mild	
C[C@H]1Cc2ccc3c(c2[C@@](O)(c2ccc4c(c2)OCO4)[C@@H]1C)OCO3	ZINC000014496033	EG	Annotated	Anodyne	 
CC(C)(O)c1ccc2c(c1)C(=O)C1=C3[C@@](C)(CCC[C@@]32C)C(=O)O1	ZINC000014496160	EG	Annotated	Mild	in-vitro biogenic
CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C(=O)O)CC1	ZINC000014497166	EG	Annotated	Reactive	 
C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)OC2=CC2=CC(=O)C[C@H](C)[C@]21C	ZINC000014497708	EG	Annotated	Mild	 
CC(C)=CC(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)CC[C@H]21	ZINC000014498741	EG	Annotated	Mild	 
C=C1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\CCOC1=O	ZINC000014499704	EG	Annotated	Mild	 
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1	ZINC000014499721	EG	Annotated	Mild	
C[C@](O)(CCl)COc1cc(O)c2c(=O)c3ccccc3oc2c1	ZINC000140052420	EG	Annotated	Unstable	 
C[C@@](O)(CCl)COc1cc(O)c2c(=O)c3ccccc3oc2c1	ZINC000140052569	EG	Annotated	Unstable	 
O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)(F)F)cc1)CCCC3	ZINC000140078112	EG	Annotated	Anodyne	
O=c1c2cnc3c(c2[nH]n1-c1ccc(OC(F)F)cc1)CCCC3	ZINC000140078393	EG	Annotated	Anodyne	
CC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=C[C@@H](O)OC1=O	ZINC000140091114	EG	Annotated	Anodyne	
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NC3CC3)ncc12	ZINC000140111674	EG	Annotated	Anodyne	 
C=C1C[C@@H](O)/C=C(\C)CC[C@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12	ZINC000140129044	EG	Annotated	Mild	
C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O	ZINC000140131873	EG	Annotated	Mild	
Cc1cccnc1C(=O)N1CC(c2nccnc2-c2ccccc2)C1	ZINC000140182411	EG	Annotated	Anodyne	 
Cc1cccc(C(=O)N2CC(c3nccnc3-c3ccccc3)C2)n1	ZINC000140185227	EG	Annotated	Anodyne	 
CC1(C)[C@@H]2CC=C3C(=O)OC[C@@H]3O[C@@]2(C)CC[C@H]1Br	ZINC000140213895	EG	Annotated	Reactive	
C=C(C)[C@H]1C[C@@]23[C@@H](O1)O[C@]2(C)[C@@H](O)C=C(Br)C3(C)C	ZINC000140218912	EG	Annotated	Mild	
CC(=O)O[C@@H]1C=C2CCC(=O)[C@@H](OC(C)=O)C(C)=C[C@]2(C)[C@@H](C)C1	ZINC000140252101	EG	Annotated	Anodyne	
C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)CO[C@H](O)[C@@H]12	ZINC000140256487	EG	Annotated	Mild	
C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)COC(=O)[C@@H]12	ZINC000140256963	EG	Annotated	Mild	
CC(C)=CCC[C@@H](C)[C@@H]1C2=C(C(=O)O[C@H]2O)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O	ZINC000140415112	EG	Annotated	Anodyne	
CCOc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl	ZINC000140475965	EG	Annotated	Anodyne	 
C#C/C=C/C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2OC	ZINC000140542693	EG	Annotated	Reactive	
CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@H]12	ZINC000140589642	EG	Annotated	Reactive	
Cc1cc(Nc2n[nH]c3ccc(F)cc23)nc(C2CCOCC2)n1	ZINC000140820593	EG	Annotated	Anodyne	
N#Cc1cc(NC(O)=C2N=NN=N2)cc(NC(O)=C2N=NN=N2)c1	ZINC000140909180	EG	Annotated	Anodyne	 
COC1CCC2(CC1)Cc1ccc(C(C)C)cc1[C@]21N=C(N)N(C)O1	ZINC000141051742	EG	Annotated	Anodyne	
COC1CCC2(CC1)Cc1ccc(C(C)C)cc1[C@@]21N=C(N)N(C)O1	ZINC000141051946	EG	Annotated	Anodyne	
S=C=Nc1ccc2oc(-c3ccc(N4CCOCC4)nc3)nc2c1	ZINC000141116469	EG	Annotated	Reactive	
NC(=O)Nc1cc(-c2ccnn2-c2ccc(F)cc2Cl)ccn1	ZINC000141253360	EG	Annotated	Anodyne	
CC/C=C\C[C@@H](O)/C=C/[C@@H](O)[C@@H]1C[C@H]1[C@@H]1C/C=C\CCCC(=O)O1	ZINC000141265369	EG	Annotated	Anodyne	
Cc1nc(C2CCOCC2)nc(Nc2[nH]nc3ncc(F)cc23)c1C	ZINC000141318033	EG	Annotated	Anodyne	
Cc1cccc(C#CC=C2CCN(c3ncccc3[N+](=O)[O-])CC2)n1	ZINC000141400081	EG	Annotated	Anodyne	 
COc1ccc([C@H]2Oc3cc(OC)ccc3C[C@@H]2OC(C)=O)cc1	ZINC000141402581	EG	Annotated	Anodyne	
CC/C=C\C/C=C\C[C@H](O)[C@@H](O)/C=C/[C@H]1C[C@@H]1[C@H]1CCCC(=O)O1	ZINC000141419616	EG	Annotated	Anodyne	
C/C1=C/CC[C@]2(C)O[C@H]2[C@@]2(O)OCC3=C2[C@H](O)C[C@@H](C)[C@]3(C)CC1	ZINC000141445079	EG	Annotated	Anodyne	
C/C1=C/C=C(\C(C)C)C(=O)[C@@H](O)[C@H](C)CCC(=O)[C@H](CO)CCC1	ZINC000141445472	EG	Annotated	Mild	
C/C1=C/CC[C@@]2(C)O[C@@H]2[C@@]2(O)OCC3=C2[C@@H](O)C[C@@H](C)[C@]3(C)CC1	ZINC000141449773	EG	Annotated	Anodyne	
CC/C(=N\OC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O	ZINC000141499099	EG	Annotated	Mild	
CCCN1C[C@H](C[S@@](C)=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]21	ZINC000141510402	EG	Annotated	Anodyne	 
C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@@]12O	ZINC000141521470	EG	Annotated	Anodyne	
CC(C)=CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@]12O	ZINC000141521681	EG	Annotated	Anodyne	
CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@@](C)([C@H](O)CO)CC[C@H]12	ZINC000141564755	EG	Annotated	Anodyne	
N#Cc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1	ZINC000141675818	EG	Annotated	Mild	
Cc1nc2cc3c(cc2n1-c1ccc(C(=O)NC2CC2)s1)OCO3	ZINC000141692948	EG	Annotated	Anodyne	
Cc1nc2c(N3CCOCC3)nccn2c1-c1ccc(C(C)C)nc1	ZINC000141765383	EG	Annotated	Anodyne	 
Cc1nc(NCCc2c[nH]cn2)cc(-c2ccc3ncsc3c2)n1	ZINC000141830014	EG	Annotated	Anodyne	 
CCCc1ccc2c(c1)[C@@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2	ZINC000141914146	EG	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@]1(N=C(N)N(C)O1)C1(CCC(OC)CC1)C2	ZINC000141914357	EG	Annotated	Anodyne	
Cc1onc(-c2ccc(F)cc2)c1COc1ccc(C(=O)O)cn1	ZINC000141965478	EG	Annotated	Anodyne	
C[C@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1	ZINC000141967148	EG	Annotated	Anodyne	 
C[C@@H](Oc1nc(-c2ccccc2)cc2ncccc12)[C@H]1CNC(=O)C1	ZINC000141967554	EG	Annotated	Anodyne	 
CC1(C)C=Cc2c(ccc([C@@H]3COc4cc(O)ccc4[C@H]3O)c2O)O1	ZINC000142036176	EG	Annotated	Anodyne	
N#Cc1c(O)nc2nc(-c3ccc(-c4ccccc4O)cc3)[nH]c2c1O	ZINC000142073139	EG	Annotated	Anodyne	 
CN1O[C@@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1	ZINC000142079519	EG	Annotated	Anodyne	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccc2O)n1	ZINC000142079556	EG	Annotated	Anodyne	 
CN1O[C@]2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1	ZINC000142079722	EG	Annotated	Anodyne	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccc2O)n1	ZINC000142079759	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccnc2)n1	ZINC000142099256	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccnc2)n1	ZINC000142099451	EG	Annotated	Anodyne	 
Cc1csc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1	ZINC000142107867	EG	Annotated	Anodyne	 
Cc1csc([C@@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)n1	ZINC000142108081	EG	Annotated	Anodyne	 
C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12	ZINC000142112234	EG	Annotated	Anodyne	
O=C1OCCN1c1ccnc(NCC23CC4CC(CC(C4)C2)C3)n1	ZINC000142144563	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccncc2)n1	ZINC000142165541	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccncc2)n1	ZINC000142165761	EG	Annotated	Anodyne	 
Cc1ccc([C@H]2NC(N)=N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1	ZINC000142165894	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccccn2)n1	ZINC000142165990	EG	Annotated	Anodyne	 
Cc1ccc([C@@H]2NC(N)=N[C@H](c3ccc4c(c3)CCCC4)C2=O)cc1	ZINC000142166088	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccccn2)n1	ZINC000142166222	EG	Annotated	Anodyne	 
O=C(CNc1cccc(F)c1)Nc1nc2ccc3[nH]ncc3c2s1	ZINC000142263862	EG	Annotated	Anodyne	 
O=C(CNc1ccccc1)Nc1nc2c(F)cc3[nH]ncc3c2s1	ZINC000142280903	EG	Annotated	Anodyne	 
CC(=O)NC(C)(C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1	ZINC000142369869	EG	Annotated	Mild	
Cn1nccc1C(=O)Nc1ccc(-c2ccc(F)cc2Cl)c(N)n1	ZINC000142616738	EG	Annotated	Anodyne	 
CC(C)NC(=O)c1ccc(OCc2conc2-c2ccccc2)nc1	ZINC000142668858	EG	Annotated	Anodyne	
COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1ccccc1	ZINC000142733869	EG	Annotated	Anodyne	 
COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1ccccc1	ZINC000142734073	EG	Annotated	Anodyne	 
COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1ccccc1	ZINC000142734276	EG	Annotated	Anodyne	 
COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1ccccc1	ZINC000142734475	EG	Annotated	Anodyne	 
CCc1[nH]nc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC	ZINC000142764626	EG	Annotated	Anodyne	 
CCc1[nH]nc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC	ZINC000142764849	EG	Annotated	Anodyne	 
O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c2c(-c3cc[nH]n3)cnn12	ZINC000142788061	EG	Annotated	Anodyne	 
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC2)cn1	ZINC000142789680	EG	Annotated	Anodyne	
Cc1cnc(-c2cnn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)o1	ZINC000142898885	EG	Annotated	Anodyne	 
O=c1cc(CCl)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12	ZINC000142955948	EG	Annotated	Reactive	
Cc1coc(-c2cnn3c(=O)cc(-c4ccc5onc(C)c5c4)[nH]c23)n1	ZINC000142972547	EG	Annotated	Anodyne	 
Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5c(C)noc5c4)[nH]c23)o1	ZINC000142990429	EG	Annotated	Anodyne	 
Cc1cnc(-c2cnn3c(=O)cc(-c4ccc5onc(C)c5c4)[nH]c23)o1	ZINC000143019172	EG	Annotated	Anodyne	 
CNc1cc(-c2cc(C(N)=O)n(-c3cc(Cl)ccc3C)c2)ncn1	ZINC000143023816	EG	Annotated	Anodyne	 
CNc1cc(-n2cc(C(N)=O)c(-c3cc(Cl)ccc3C)c2)ncn1	ZINC000143036530	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H]4C[C@@](O)(CC[C@@H]21)[C@@H]3O4	ZINC000143093854	EG	Annotated	Anodyne	
COc1ccc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2c1	ZINC000143107262	EG	Annotated	Anodyne	 
COc1cc(-c2cc(=O)n3ncc(-c4ncco4)c3[nH]2)ccc1Cl	ZINC000143147028	EG	Annotated	Anodyne	 
O=c1cc(-c2ccc(Cl)cc2)[nH]c2c(-c3nccs3)cnn12	ZINC000143160240	EG	Annotated	Anodyne	 
N#Cc1ccc(C(=O)Nc2cc[nH]c(=O)c2)c(Oc2ccc(F)cc2)c1	ZINC000143169548	EG	Annotated	Anodyne	 
COc1ccc(N2CC[C@@H](N)[C@H](c3cccc(C)c3)C2)cc1OC	ZINC000143170263	EG	Annotated	Clean	 
N#CCc1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1	ZINC000143188658	EG	Annotated	Mild	
C[C@@H]1[C@@H](O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000143192525	EG	Annotated	Anodyne	
O=S(=O)(c1cccc(F)c1)c1ccc2oc3c(c2c1)CNCC3	ZINC000143337310	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc(F)cc1)c1ccc2oc3c(c2c1)CNCC3	ZINC000143352926	EG	Annotated	Anodyne	 
O=S(=O)(c1ccccc1)c1ccc2c3c(oc2c1)CCCNC3	ZINC000143380516	EG	Annotated	Anodyne	 
Cc1onc(-c2ccccc2)c1COc1ccc([S@@](C)=O)cn1	ZINC000143394073	EG	Annotated	Anodyne	
Cc1onc(-c2ccccc2)c1COc1ccc([S@](C)=O)cn1	ZINC000143394270	EG	Annotated	Anodyne	
Cc1noc(-c2c(C)nn3c(=O)cc(-c4ccc(Cl)cc4)[nH]c23)n1	ZINC000143405450	EG	Annotated	Anodyne	 
CCn1nccc1-c1cnn2c(=O)cc(-c3ccc(Cl)cc3)[nH]c12	ZINC000143464521	EG	Annotated	Anodyne	 
COC(=O)c1cccc2c1-c1cc(F)ccc1[C@@]2(O)C(F)(F)F	ZINC000143486369	EG	Annotated	Anodyne	
COC(=O)c1cccc2c1-c1cc(F)ccc1[C@]2(O)C(F)(F)F	ZINC000143486579	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CNCCC3	ZINC000143509358	EG	Annotated	Anodyne	 
CN1CCc2oc3cc(S(=O)(=O)c4ccccc4)ccc3c2C1	ZINC000143521483	EG	Annotated	Anodyne	 
Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3	ZINC000143532670	EG	Annotated	Anodyne	 
CN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1	ZINC000143539489	EG	Annotated	Anodyne	 
O=S(=O)(c1cc(F)cc(F)c1)c1ccc2oc3c(c2c1)CNCC3	ZINC000143542979	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1	ZINC000143564998	EG	Annotated	Anodyne	 
O=S(=O)(c1ccccc1)c1cc(F)c2oc3c(c2c1)CNCC3	ZINC000143600346	EG	Annotated	Anodyne	 
O=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1cc(O)ccc13)OCO2	ZINC000143616404	EG	Annotated	Bother	
CCC[C@]1(O)C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C[C@@H]2C1	ZINC000143616507	EG	Annotated	Anodyne	
COc1ccc(-c2c(F)c(F)cc3cc4n(c23)CCNC4=O)cc1	ZINC000143732285	EG	Annotated	Anodyne	
CCc1onc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC	ZINC000143797159	EG	Annotated	Anodyne	 
CCc1onc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC	ZINC000143797384	EG	Annotated	Anodyne	 
N#CC1(C#N)[C@@H](c2ccccc2)O[C@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3	ZINC000143812022	EG	Annotated	Mild	
O=C1N(c2ccnc(C(F)(F)F)n2)CCN1c1cnccc1C1CC1	ZINC000143933151	EG	Annotated	Anodyne	 
Cc1nc(Cl)cc(N2CCN(c3cnccc3C3CC3)C2=O)n1	ZINC000144034965	EG	Annotated	Anodyne	 
O=C(Nc1cc2ccc(O[C@H]3CCCC[C@@H]3O)cc2cn1)C1CC1	ZINC000144282566	EG	Annotated	Anodyne	
C[C@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1	ZINC000144337241	EG	Annotated	Anodyne	
CC(C)Cn1c(-c2c(F)cccc2F)cnc(-n2cccn2)c1=O	ZINC000144344836	EG	Annotated	Anodyne	 
Cc1c(F)cncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1	ZINC000144383734	EG	Annotated	Anodyne	
O=C(Nc1cc2ccc(O[C@@H]3CCCC[C@H]3O)cc2cn1)C1CC1	ZINC000144426215	EG	Annotated	Anodyne	
O=c1[nH]nc2c3ccccc3n(Cc3ccc(-n4cccn4)cc3)cc1-2	ZINC000144481914	EG	Annotated	Anodyne	 
CC1=C[C@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(/C=C\2C1=O)O3	ZINC000144506058	EG	Annotated	Mild	
C[C@]1(O)C[C@@](c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1	ZINC000144532565	EG	Annotated	Anodyne	 
Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)nc[n+]([O-])c1C	ZINC000144605746	EG	Annotated	Anodyne	
Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)n[nH]c(=O)c1C	ZINC000144629056	EG	Annotated	Anodyne	
CON(C)C(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F	ZINC000144698126	EG	Annotated	Anodyne	
CON(C)C(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F	ZINC000144698305	EG	Annotated	Anodyne	
Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3[nH]ncc23)cc1	ZINC000144703737	EG	Annotated	Anodyne	
CN1CCN(c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)CC1	ZINC000144730169	EG	Annotated	Anodyne	
CN1CCN(c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)CC1	ZINC000144730381	EG	Annotated	Anodyne	
COC(=O)c1cccc2c1-c1ccc(F)cc1[C@@]2(O)C(F)(F)F	ZINC000144754140	EG	Annotated	Anodyne	
COC(=O)c1cccc2c1-c1ccc(F)cc1[C@]2(O)C(F)(F)F	ZINC000144754354	EG	Annotated	Anodyne	
COC(=O)c1ccc(F)c2c1-c1ccccc1[C@@]2(O)C(F)(F)F	ZINC000144754576	EG	Annotated	Anodyne	
COC(=O)c1ccc(F)c2c1-c1ccccc1[C@]2(O)C(F)(F)F	ZINC000144754775	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)C=C(C)C)=C/C[C@H]12	ZINC000144758831	EG	Annotated	Reactive	biogenic
C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)CC(C)C)=C/C[C@H]12	ZINC000144759003	EG	Annotated	Reactive	biogenic
O=c1c2c[nH]c3ccccc3c-2nn1Cc1ccc(-n2cccn2)cc1	ZINC000144760185	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)C1=C(CC3)C(=O)OC1	ZINC000144782778	EG	Annotated	Mild	
CNCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144805246	EG	Annotated	Anodyne	
CNCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144805455	EG	Annotated	Anodyne	
COC(=O)COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144817076	EG	Annotated	Anodyne	
COC(=O)COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144817272	EG	Annotated	Anodyne	
Cc1cc(Oc2nccc3[nH]ncc23)ccc1-c1c(C)ncc(=O)n1C	ZINC000144824372	EG	Annotated	Anodyne	
CC(=O)N(C)Cc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144842634	EG	Annotated	Anodyne	
CC(=O)N(C)Cc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2	ZINC000144842840	EG	Annotated	Anodyne	
Cn1cc(-c2cnc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1	ZINC000144890160	EG	Annotated	Anodyne	
Cn1cc(-c2cnc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1	ZINC000144890385	EG	Annotated	Anodyne	
NC(=O)c1cc(Cl)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F	ZINC000144915526	EG	Annotated	Anodyne	
NC(=O)c1cc(Cl)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F	ZINC000144915718	EG	Annotated	Anodyne	
CC(C)[C@@]1(O)CC(=O)O[C@H]1C1=C[C@@]2(C)CCCC(C)(C)[C@@H]2CC1=O	ZINC000014501509	EG	Annotated	Mild	
CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C/C=C(/C)C[C@H](O)[C@H]12	ZINC000014502177	EG	Annotated	Reactive	
Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1	ZINC000014508112	EG	Annotated	Bother	 
C=C[C@@]1(C)C[C@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@@H]2O	ZINC000014559646	EG	Annotated	Mild	
C=C[C@@]1(C)C[C@@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@@H]2O	ZINC000014559649	EG	Annotated	Mild	
COc1c(O)c2c3c(c1OC)CCN=C3C(C)(C)c1cc(O)ccc1-2	ZINC000014588287	EG	Annotated	Anodyne	 
COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cccc13)OCO2	ZINC000014589621	EG	Annotated	Bother	 
COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2	ZINC000014591298	EG	Annotated	Bother	in-vitro biogenic
CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1	ZINC000014594210	EG	Annotated	Mild	 
CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1	ZINC000014594212	EG	Annotated	Mild	 
COc1cc2cc3c(c4c2c(n1)C(=O)c1c(OC)cccc1-4)OCO3	ZINC000014594658	EG	Annotated	Anodyne	 
CCOC(=O)c1sc(NC(=O)c2ccc(Cl)nc2)c(C#N)c1C	ZINC000014596687	EG	Annotated	Mild	 
COc1ccc2c(=O)c3c(oc2c1)-c1ccc(OC)c(OC)c1CO3	ZINC000014610014	EG	Annotated	Anodyne	 
COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3[N+](C)(C)CC2)OCO4	ZINC000014612194	EG	Annotated	Bother	 
COC(=O)c1cccc2c[n+]3c(c(O)c12)-c1[nH]c2ccccc2c1CC3	ZINC000014613128	EG	Annotated	Anodyne	 
CC1(C)C=Cc2c(c(C(C)(C)[C@H]3CO3)c3oc(=O)ccc3c2O)O1	ZINC000014614714	EG	Annotated	Anodyne	 
Cc1cc(O)c(C)c2c1C(=O)Oc1cc(O)c(C(=O)O)c(C)c1O2	ZINC000014615679	EG	Annotated	Anodyne	 
CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c(O)c2C[C@@H]1O	ZINC000014615962	EG	Annotated	Mild	 
CC1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c(O)c2C[C@H]1O	ZINC000014615963	EG	Annotated	Mild	 
CO[C@H]1c2cc(O)ccc2-c2c3c(cc4c2[C@@H]1N(C)CC4)OCO3	ZINC000014618048	EG	Annotated	Anodyne	
CO[C@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1[N+](C)([O-])CC4)OCO3	ZINC000014618060	EG	Annotated	Bother	 
CC1(C)C=Cc2c(c(O)c3oc4ccc(O)cc4c(=O)c3c2O)O1	ZINC000014618653	EG	Annotated	Bother	in-man
COc1c(OC)c(OC)c2c3c(cc4ccccc42)NC(=O)C(=O)c13	ZINC000014618764	EG	Annotated	Bother	 
O=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21	ZINC000014636386	EG	Annotated	Anodyne	 
O=C1C[C@H](O)C2(Oc3cccc4cccc(c34)O2)c2cccc(O)c21	ZINC000014636388	EG	Annotated	Anodyne	in-vitro biogenic
O=C1c2c(O)cccc2C2(Oc3cccc4cccc(c34)O2)[C@@H]2O[C@H]12	ZINC000014636396	EG	Annotated	Anodyne	 
O=C1CC[C@@H](O)[C@@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1	ZINC000014636430	EG	Annotated	Mild	 
COC1=Cc2ccnc3c(N)c4cc(OC)c(OC)cc4c(c23)C1=O	ZINC000014636700	EG	Annotated	Mild	 
COC(=O)c1c(O)cc2oc3c(C(=O)O)c(C)cc(OC)c3c2c1C	ZINC000014636957	EG	Annotated	Anodyne	 
COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CO2)c(O)c1	ZINC000014638397	EG	Annotated	Mild	 
COc1ccc2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2	ZINC000014643178	EG	Annotated	Anodyne	in-man
COc1ccc2c(c1O)O[C@@H](c1cc(O)c(OC)c(OC)c1)CC2	ZINC000014643181	EG	Annotated	Anodyne	in-man
COc1ccc2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2	ZINC000014643184	EG	Annotated	Anodyne	in-man
COc1ccc2c(c1O)O[C@@H](c1cc(OC)c(OC)c(OC)c1)CC2	ZINC000014643187	EG	Annotated	Anodyne	in-man
COc1cc([C@@H]2CCc3ccc(OC)c(OC)c3O2)cc(O)c1OC	ZINC000014643190	EG	Annotated	Anodyne	in-man
COc1cc([C@H]2CCc3ccc(OC)c(OC)c3O2)cc(O)c1OC	ZINC000014643193	EG	Annotated	Anodyne	in-man
Oc1ccc(-c2c(O)c(O)c3c(oc4cc(O)c(O)cc43)c2O)cc1	ZINC000014645686	EG	Annotated	Clean	 
COc1cc2c(c(OC)c1O)-c1oc3cc4c(cc3c1CO2)OCO4	ZINC000014648629	EG	Annotated	Anodyne	 
COc1ccc2c(c1O)OCc1c-2oc2c(O)c(OC)c(OC)cc12	ZINC000014648633	EG	Annotated	Anodyne	 
COC(=O)c1c(C)c(Oc2cc(C)cc(O)c2C=O)c(O)c(C)c1O	ZINC000014653300	EG	Annotated	Anodyne	 
COC(=O)c1c(C)c2c(c(C)c1O)OCc1c(O)cc(C)cc1O2	ZINC000014653318	EG	Annotated	Anodyne	 
C=CCc1c(O)c(O)c2c(c1O)C(=O)C=C1C(C)=C(C)C(=O)C[C@@]12C	ZINC000014659979	EG	Annotated	Mild	 
CC[C@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C1)[C@@H]24	ZINC000014682204	EG	Annotated	Anodyne	
COC(=O)/C(=C1/OC(=O)C(c2ccccc2)=C1OC)c1ccccc1	ZINC000014683353	EG	Annotated	Anodyne	 
CC1(C)Oc2cc3c(cc2C[C@@H]1O)[C@@H]1Oc2cc(O)ccc2[C@@H]1CO3	ZINC000014685252	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H]2Cc2cc3c(cc21)OCO3	ZINC000014685306	EG	Annotated	Anodyne	
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)C2=O	ZINC000014688360	EG	Annotated	Clean	in-vitro biogenic
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2N	ZINC000014688380	EG	Annotated	Clean	in-man
C=C(CCl)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1	ZINC000014689017	EG	Annotated	Reactive	in-man
C=C(CCl)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1	ZINC000014689019	EG	Annotated	Reactive	in-man
CC(C)=CC(=O)OC(C)(C)[C@@H]1Cc2cc3ccc(=O)oc3c(O)c2O1	ZINC000014689173	EG	Annotated	Anodyne	 
CC1=CC=C2C=C(C(C)C)C(O)=C(O)[C@]2(O)[C@@H]1CCC(=O)C(C)(C)O	ZINC000014690204	EG	Annotated	Anodyne	 
C[C@@]12Cc3oc4cc(O)ccc4c(=O)c3[C@@H](C1)c1ccc(O)cc1O2	ZINC000014690616	EG	Annotated	Anodyne	 
COc1ccc2c(c1O)Oc1c(OC)ccc3c1[C@H](C2)[N+](C)([O-])CC3	ZINC000014690989	EG	Annotated	Bother	 
Cc1ccc2c(c1CCC(=O)C(C)(C)O)C(=O)C(=O)C(C(C)C)=C2	ZINC000014693077	EG	Annotated	Mild	in-man endogenous
COc1c(CC[C@@H](C)C(=O)O)ccc2c(=O)c3c(O)cccc3oc12	ZINC000014693240	EG	Annotated	Bother	 
COc1c(CC[C@H](C)C(=O)O)ccc2c(=O)c3c(O)cccc3oc12	ZINC000014693242	EG	Annotated	Bother	in-vitro biogenic
CSC1=CC(=O)O[C@]2(C)Oc3ccc4ccc(=O)oc4c3C[C@@]12C	ZINC000014693407	EG	Annotated	Anodyne	 
CSC1=CC(=O)O[C@]2(C)Oc3ccc4ccc(=O)oc4c3C[C@]12C	ZINC000014693411	EG	Annotated	Anodyne	 
COc1ccc2c(c1OC)[C@](C)(O)c1nccc3c(OC)ccc-2c13	ZINC000014709632	EG	Annotated	Anodyne	 
CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCNC1=O	ZINC000014711441	EG	Annotated	Anodyne	 
CC1=CCC[C@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCNC1=O	ZINC000014711444	EG	Annotated	Anodyne	 
CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/C(=O)N[C@@H]1CCCNC1=O	ZINC000014711450	EG	Annotated	Anodyne	 
CCCc1c(O)cc2oc3cc(Br)cn3c(=O)c2c1O	ZINC000014717348	EG	Annotated	Anodyne	 
COc1c(OC)c2c3c(nccc3c1OC)C(=O)c1cc(O)ccc1-2	ZINC000014718404	EG	Annotated	Anodyne	 
CC(C)c1cc(C=O)c2c(c1O)O[C@@H](O)[C@H]1C(C)(C)[C@@H](O)CC[C@]21C	ZINC000014719622	EG	Annotated	Anodyne	 
COc1c2ccoc2nc2c(O)c3c(c(CCC(C)(C)O)c12)OCO3	ZINC000014721305	EG	Annotated	Anodyne	 
COc1cc2c3c4c(c5ccccc5c3c1OC)C(=O)C(=O)N4CC2	ZINC000014721407	EG	Annotated	Bother	 
CC[C@H]1C[n+]2ccc3c([nH]c4ccc(OC)cc43)c2C[C@@H]1CCO	ZINC000014722624	EG	Annotated	Anodyne	 
CN1CC[C@@]23C1=Nc1ccccc1[C@@]21CCN(C)[C@H]1Nc1ccccc13	ZINC000014722671	EG	Annotated	Anodyne	 
CO[C@H]1C(=O)c2c(O)cccc2C2=C3CCC(=O)c4c(O)ccc(c43)[C@@H]21	ZINC000014724652	EG	Annotated	Anodyne	 
COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@H]3[N+](C)(C)CC2	ZINC000014725308	EG	Annotated	Clean	 
COc1cc2c3c(c1OC)-c1c(ccc(O)c1O)C[C@@H]3[N+](C)(C)CC2	ZINC000014725310	EG	Annotated	Clean	in-vitro biogenic
COc1ccc2c(c1O)-c1c(OC)c(O)cc3c1[C@@H](C2)[N+](C)(C)CC3	ZINC000014725320	EG	Annotated	Bother	 
COc1ccc2c(c1OC)-c1c(O)c(O)cc3c1[C@@H](C2)[N+](C)(C)CC3	ZINC000014725338	EG	Annotated	Clean	 
COc1ccc2c(c1OC)-c1c(O)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3	ZINC000014725340	EG	Annotated	Clean	in-vitro biogenic
COc1c(O)ccc2c1oc(=O)c1c3cc4c(cc3oc21)OCO4	ZINC000014726556	EG	Annotated	Bother	 
COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC)C2=O	ZINC000014728162	EG	Annotated	Anodyne	 
COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC)C2=O	ZINC000014728163	EG	Annotated	Anodyne	 
COc1ccc([C@H]2COc3cc(OC)cc(OC)c3C2=O)c(OC)c1	ZINC000014758853	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4	ZINC000014763373	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4	ZINC000014763374	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4	ZINC000014763376	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4	ZINC000014763378	EG	Annotated	Anodyne	 
COc1ccc2c(c1OC)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4	ZINC000014763424	EG	Annotated	Anodyne	 
COc1ccc2c(c1OC)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4	ZINC000014763425	EG	Annotated	Anodyne	 
COc1ccc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4	ZINC000014763427	EG	Annotated	Anodyne	 
COc1ccc2c(c1OC)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4	ZINC000014763429	EG	Annotated	Anodyne	in-vitro biogenic
COc1ccc2c(c1)O[C@@H](OC)[C@@H]1c3cc4c(cc3O[C@H]21)OCO4	ZINC000014763500	EG	Annotated	Anodyne	 
COc1ccc2c(c1)O[C@H](OC)[C@@H]1c3cc4c(cc3O[C@H]21)OCO4	ZINC000014763501	EG	Annotated	Anodyne	 
COc1ccc2c(OC)c3c(C)cc(=O)[nH]c3c(OC)c2c1OC	ZINC000014764641	EG	Annotated	Bother	 
CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1=O)O[C@@H](C)C4	ZINC000014765504	EG	Annotated	Mild	in-vitro biogenic
COc1cc2c(c(OC)c1OC)CCN(C)[C@@H]2Cc1ccc(O)cc1	ZINC000014765600	EG	Annotated	Anodyne	 
COc1c2c(cc3oc4c(O)c(O)ccc4c(=O)c13)O[C@@H](C)C2(C)C	ZINC000014768912	EG	Annotated	Clean	 
C#C/C=C\CCCCCCC#CC#CCCCC#CC#C[C@@H](O)CO	ZINC000014770689	EG	Annotated	Mild	 
COC(C)(C)c1ccc2c(c1O)CC[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C	ZINC000014774570	EG	Annotated	Anodyne	 
COc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3	ZINC000014775334	EG	Annotated	Bother	 
Oc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)cc1	ZINC000014779423	EG	Annotated	Anodyne	
CC1(C)C=Cc2c(cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O1	ZINC000014780235	EG	Annotated	Clean	 
CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(O)c(O)ccc4oc23)O1	ZINC000014780240	EG	Annotated	Clean	in-vitro biogenic
CCOC(=O)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2	ZINC000014806197	EG	Annotated	Anodyne	 
CCOC(=O)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2	ZINC000014806200	EG	Annotated	Anodyne	 
C/C=C(\C)C(=O)C[C@]1(O)[C@@]2(C)CCCC(C)(C)[C@]2(O)CC[C@@]1(C)O	ZINC000014812935	EG	Annotated	Mild	 
COc1c([N+](=O)[O-])c2c(C(=O)O)cc3c(c2c2ccccc12)OCO3	ZINC000014815454	EG	Annotated	Bother	 
CC(C)c1ccc2c(c1O)[C@@H](O)C[C@H]1C3=C(CC[C@]21C)C(=O)OC3	ZINC000014823648	EG	Annotated	Anodyne	 
CC(C)c1cc(O)c2c(c1O)C(=O)C[C@@H]1C3=C(CC[C@]21C)C(=O)OC3	ZINC000014823683	EG	Annotated	Anodyne	in-vitro
CC1(C)C(=O)C(C)(C)[C@]23Oc4ccccc4[C@H](CC(=O)C2=C1O)O3	ZINC000014826931	EG	Annotated	Mild	 
COc1ccc([C@@H](O)[C@@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000014828294	EG	Annotated	Anodyne	in-man
COc1ccc([C@H](O)[C@@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000014828296	EG	Annotated	Anodyne	in-man
COc1ccc([C@@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000014828298	EG	Annotated	Anodyne	in-man
COc1ccc([C@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000014828300	EG	Annotated	Anodyne	in-man
COC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(=O)O)cc2C[C@H]1O	ZINC000014829640	EG	Annotated	Anodyne	 
CC1(C)[C@@H](Br)CC[C@@]2(C)O[C@@H]3COC(=O)C3=CC[C@@H]12	ZINC000014854587	EG	Annotated	Reactive	
CC1(C)[C@@H]2CC=C3C(=O)OC[C@H]3O[C@]2(C)CC[C@H]1Br	ZINC000014854590	EG	Annotated	Reactive	
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=CC[C@@H]12	ZINC000014854593	EG	Annotated	Reactive	
CC1(C)[C@@H]2CC=C3C(=O)OC[C@H]3O[C@@]2(C)CC[C@H]1Br	ZINC000014854596	EG	Annotated	Reactive	
CC[C@H]1[C@@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000014857231	EG	Annotated	Anodyne	
CC[C@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32	ZINC000014857319	EG	Annotated	Anodyne	
COC(=O)/C=C(\C(C)=O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1	ZINC000014860879	EG	Annotated	Reactive	
COc1cc(-c2c(O)c(C=O)cc3cc(OC)c(O)cc23)ccc1O	ZINC000014883501	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)=CC(=O)C[C@](C)(O)[C@H]1COc2oc3cccc(C)c3c(=O)c21	ZINC000014883709	EG	Annotated	Mild	 
O=C1c2[nH]cc3c2C(=NCC3)c2c(-c3c[nH]c4ccccc34)c[nH]c21	ZINC000014884373	EG	Annotated	Clean	 
CC(C)[C@@H](O)CC[C@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1	ZINC000014887288	EG	Annotated	Anodyne	in-man
CC(C)[C@H](O)CC[C@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1	ZINC000014887291	EG	Annotated	Anodyne	in-man
CC(C)[C@@H](O)CC[C@@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1	ZINC000014887294	EG	Annotated	Anodyne	in-man biogenic
CC(C)[C@H](O)CC[C@@]1(C)C=Cc2c(c3ccccc3n(C)c2=O)O1	ZINC000014887298	EG	Annotated	Anodyne	in-man
Cn1c(=O)c2c(c3ccccc31)O[C@](C)(C/C=C/C(C)(C)O)C=C2	ZINC000014887302	EG	Annotated	Anodyne	in-man endogenous
Cn1c(=O)c2c(c3ccccc31)O[C@@](C)(C/C=C/C(C)(C)O)C=C2	ZINC000014887305	EG	Annotated	Anodyne	in-man endogenous
Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1	ZINC000014945638	EG	Annotated	Anodyne	
Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1	ZINC000014945645	EG	Annotated	Clean	
Nc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F	ZINC000014945657	EG	Annotated	Anodyne	
NC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1ccc1[nH]ncc12	ZINC000014945801	EG	Annotated	Anodyne	
O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1ccc(O)c(Cl)c1	ZINC000014946002	EG	Annotated	Anodyne	
O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccc(O)c(Cl)c1	ZINC000014946004	EG	Annotated	Anodyne	
N#CCN(Cc1ccccc1)C(=O)[C@@H](N)C12CC3CC(CC(C3)C1)C2	ZINC000014948876	EG	Annotated	Mild	
C/C(=C\c1ccco1)CNCc1cccnc1N1CCCN(C)CC1	ZINC000014950351	EG	Annotated	Anodyne	 
Cc1cccc2oc(=O)c3c(c12)O[C@@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C	ZINC000014950836	EG	Annotated	Anodyne	
Cc1cccc2oc(=O)c3c(c12)O[C@H](C)[C@@]3(C)CC(=O)[C@@H]1OC1(C)C	ZINC000014950840	EG	Annotated	Anodyne	
CC(C)CC(=O)O[C@H]1C[C@](C)(O)C=C[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]12	ZINC000014957307	EG	Annotated	Anodyne	
N[C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1cccc(O)c1	ZINC000014957616	EG	Annotated	Anodyne	
C[C@H](CCc1ccc(C(N)=O)cc1)NCC(=O)c1ccc(Cl)cc1	ZINC000014958625	EG	Annotated	Anodyne	
Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OC1CCCC1	ZINC000014959854	EG	Annotated	Anodyne	
Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)o1	ZINC000014960487	EG	Annotated	Anodyne	 
Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)o1	ZINC000014960491	EG	Annotated	Anodyne	 
CCOC(=O)C1(CCOC)CCN([C@@H]2CCc3ccccc3C2)CC1	ZINC000014963456	EG	Annotated	Anodyne	 
CCOC(=O)C1(CCOC)CCN([C@H]2CCc3ccccc3C2)CC1	ZINC000014963460	EG	Annotated	Anodyne	 
COC(=O)c1ccc(Nc2nc(SCc3ccccn3)n[nH]2)cc1	ZINC000014964287	EG	Annotated	Anodyne	
COC(=O)c1ccc(Nc2nc(SCc3ccncc3)n[nH]2)cc1	ZINC000014964291	EG	Annotated	Anodyne	
N=C(N)/N=C(\N)SCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000014966668	EG	Annotated	Mild	
COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1	ZINC000014966816	EG	Annotated	Anodyne	
COc1ccccc1CNC[C@H](O)c1cc(Br)cs1	ZINC000014966820	EG	Annotated	Anodyne	
CC(C)CN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21	ZINC000014967273	EG	Annotated	Anodyne	
CC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@]3(C)C[C@@]2(OCC(C)C)OC1=O	ZINC000014972022	EG	Annotated	Anodyne	
CC1=C2C[C@H]3O[C@]3(C)CC[C@H]3O[C@]3(C)C[C@]2(OCC(C)C)OC1=O	ZINC000014972025	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@]23O[C@@]2(CC[C@@H](O)C3(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000014972058	EG	Annotated	Anodyne	
CCN1CCc2cc(CNC(=O)Nc3cccc4c3cnn4C)ccc21	ZINC000014973578	EG	Annotated	Clean	
O=C(O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12	ZINC000014974711	EG	Annotated	Anodyne	
NCCc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12	ZINC000014975910	EG	Annotated	Anodyne	
NCCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12	ZINC000014975936	EG	Annotated	Anodyne	
Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)Cc1ccsc1	ZINC000014979468	EG	Annotated	Anodyne	 
Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)Cc1ccsc1	ZINC000014979471	EG	Annotated	Anodyne	 
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2	ZINC000014980549	EG	Annotated	Anodyne	
Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@@H](C)CO)sc1C(=O)O	ZINC000145115895	EG	Annotated	Anodyne	 
Cc1nc(-c2ccc3c(c2)c(C#N)cn3[C@H](C)CO)sc1C(=O)O	ZINC000145116102	EG	Annotated	Anodyne	 
C=C1CC/C=C(\C)CC[C@@H]2/C(=C\CC=C(CO)CO)COC(=O)[C@@H]12	ZINC000145211587	EG	Annotated	Mild	 
O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)cc12	ZINC000145284910	EG	Annotated	Anodyne	 
O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)cc12	ZINC000145285117	EG	Annotated	Anodyne	 
Cc1c(C(=O)/C=C/c2ccc(F)cc2)[n+](=O)c2ccccc2n1O	ZINC000145358036	EG	Annotated	Mild	 
O=c1c(Cc2ccccc2)ccc2n1C[C@H]1CCCN3CCC[C@@H]2[C@H]13	ZINC000145375959	EG	Annotated	Anodyne	
C=C1CC=C[C@]2(C)CC[C@H](/C(C=O)=C\C=C\C(C)(C)O)[C@H]1C(=O)O2	ZINC000145574509	EG	Annotated	Reactive	
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=CC[C@H]12	ZINC000145675571	EG	Annotated	Unstable	 
C[C@@H](Oc1cc(-c2ccccn2)cc2ncccc12)[C@H]1CNC(=O)C1	ZINC000146164570	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@]23CO[C@@H](C=C2CO)C[C@@H]3[C@@]1(C)CCC1=CCOC1=O	ZINC000146208460	EG	Annotated	Anodyne	
CN(C)c1cccc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1	ZINC000146714757	EG	Annotated	Anodyne	
C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]12OC3=O	ZINC000146758754	EG	Annotated	Mild	
COc1ccc(C[C@@H]2COc3c(C)c(OC)c(C)c(O)c3C2=O)cc1	ZINC000146992737	EG	Annotated	Anodyne	
O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1)c1c(F)cccc1F	ZINC000147217426	EG	Annotated	Anodyne	 
CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(F)cc2)on1	ZINC000147432435	EG	Annotated	Anodyne	 
[C-]#[N+]c1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1	ZINC000147470202	EG	Annotated	Anodyne	 
Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3	ZINC000147521805	EG	Annotated	Anodyne	 
COc1cc([S@@](=O)c2ccccc2)cc2c3c(oc12)CCNC3	ZINC000147551100	EG	Annotated	Anodyne	 
COc1cc([S@](=O)c2ccccc2)cc2c3c(oc12)CCNC3	ZINC000147551192	EG	Annotated	Anodyne	 
Cc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(oc12)CCNC3	ZINC000147556961	EG	Annotated	Anodyne	 
Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3	ZINC000147595952	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc(F)cc1)c1cc(F)c2oc3c(c2c1)CNCC3	ZINC000147619244	EG	Annotated	Anodyne	 
CCNC(=O)Nc1ccc(-c2nc3cccc(C(=O)O)c3s2)cn1	ZINC000147911590	EG	Annotated	Anodyne	
Cc1ccncc1N1CCN(c2cn(C)c3cccc(C#N)c23)C1=O	ZINC000148100098	EG	Annotated	Mild	
C[C@@H](O)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O	ZINC000148293498	EG	Annotated	Anodyne	
C[C@H](O)c1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O	ZINC000148293702	EG	Annotated	Anodyne	
COCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000148302895	EG	Annotated	Anodyne	
COc1nccc2sc(N3CCN(c4cnccc4C)C3=O)cc12	ZINC000148351541	EG	Annotated	Anodyne	
CN(C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1	ZINC000148411649	EG	Annotated	Reactive	
C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12	ZINC000148461528	EG	Annotated	Anodyne	
CC(C)[C@](O)(c1ccc2cc(OC(F)F)ccc2c1)c1c[nH]nn1	ZINC000148510022	EG	Annotated	Anodyne	
CC(C)[C@@](O)(c1ccc2cc(OC(F)F)ccc2c1)c1c[nH]nn1	ZINC000148510195	EG	Annotated	Anodyne	
Cc1ccncc1N1CCN(c2ccn3c(Cl)cnc3c2)C1=O	ZINC000148536651	EG	Annotated	Anodyne	
Cc1ncnc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1	ZINC000148558039	EG	Annotated	Mild	
O=C1N(c2cnc3[nH]cnc3c2)CCN1c1ccc2ncsc2c1	ZINC000148626719	EG	Annotated	Anodyne	 
COc1ccncc1N1CCN(c2ccc3ncsc3c2)C1=O	ZINC000148635488	EG	Annotated	Anodyne	
Cc1ncnc(-c2cnc3ccccc3c2)c1C#Cc1ccc(N)nc1	ZINC000148643870	EG	Annotated	Mild	
CCN(c1ccc(OC)c(OC)c1)c1nc(=O)c2cccnc2s1	ZINC000148738872	EG	Annotated	Anodyne	 
CCc1ncnc(-c2ccc(C3CC3)nc2)c1C#Cc1ccc(N)nc1	ZINC000148874070	EG	Annotated	Mild	
CCc1cc(-c2ncnc(CC)c2C#Cc2ccc(N)nc2)ccn1	ZINC000148881911	EG	Annotated	Mild	
COc1nccc2scc(N3CCN(c4cnccc4C)C3=O)c12	ZINC000148883191	EG	Annotated	Anodyne	
CCC/C=C/c1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C(C)(C)O2	ZINC000148951091	EG	Annotated	Anodyne	 
CCC/C=C/c1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C(C)(C)O2	ZINC000148951283	EG	Annotated	Anodyne	 
CCc1ncnc(-c2cc(C)nc(C)c2)c1C#Cc1ccc(N)nc1	ZINC000148989737	EG	Annotated	Mild	
Cn1ccc2cc(-c3ccc4oc(N5CCNCC5)nc4c3)ccc21	ZINC000149196566	EG	Annotated	Anodyne	
Cc1ccncc1N1CCN(c2ccc3c(c2)OC(F)(F)O3)C1=O	ZINC000149262916	EG	Annotated	Anodyne	
CCc1cccc2c1CCN1C(=O)CN=C(n3cnc(C(C)C)c3)C=C21	ZINC000149271434	EG	Annotated	Anodyne	
NC1=N[C@@H](CCc2cc(C(F)(F)F)ccc2C(F)(F)F)CO1	ZINC000149272491	EG	Annotated	Anodyne	
CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CO)[C@@H]1[C@@H](O)C2=O	ZINC000149601907	EG	Annotated	Anodyne	
Clc1ncc(Cl)c(Nc2ccc([C@H]3CNCCO3)cc2)n1	ZINC000149914044	EG	Annotated	Anodyne	
Cc1cc(C(F)(F)F)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1	ZINC000149934071	EG	Annotated	Anodyne	
Cc1cc(C(F)(F)F)nc(Nc2ccc([C@H]3CNCCO3)cc2)n1	ZINC000149935379	EG	Annotated	Anodyne	
Cc1cc([C@@H]2CNCCO2)ccc1NC(=O)Nc1ccc(Cl)nc1	ZINC000149938466	EG	Annotated	Anodyne	 
Cc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1	ZINC000149942743	EG	Annotated	Anodyne	
Cc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1	ZINC000149944410	EG	Annotated	Anodyne	
c1ccc(Cn2ccc(Nc3ccc([C@H]4CNCCO4)cc3)n2)cc1	ZINC000149950977	EG	Annotated	Anodyne	
c1ccc(Cn2ccc(Nc3ccc([C@@H]4CNCCO4)cc3)n2)cc1	ZINC000149952291	EG	Annotated	Anodyne	
Clc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1	ZINC000149952576	EG	Annotated	Anodyne	
Clc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1	ZINC000149952986	EG	Annotated	Anodyne	
Clc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@H]1CNCCO1	ZINC000149953524	EG	Annotated	Anodyne	
Clc1cc(Nc2ncc(C3CC3)cn2)ccc1[C@@H]1CNCCO1	ZINC000149954597	EG	Annotated	Anodyne	
Brc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)nc1	ZINC000149962252	EG	Annotated	Anodyne	
Fc1cc(Nc2ncc(C(F)(F)F)cn2)ccc1[C@H]1CNCCO1	ZINC000149966020	EG	Annotated	Anodyne	
Fc1cc(Nc2ncc(C(F)(F)F)cn2)ccc1[C@@H]1CNCCO1	ZINC000149967594	EG	Annotated	Anodyne	
Fc1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1	ZINC000149968966	EG	Annotated	Anodyne	
Fc1cc([C@H]2CNCCO2)ccc1Nc1ncc(C(F)(F)F)cn1	ZINC000149969174	EG	Annotated	Anodyne	
Brc1ccc(CNc2ccc([C@H]3CNCCO3)cc2)nc1	ZINC000149977430	EG	Annotated	Anodyne	
N#Cc1c(N)c2ccccn2c1C(=O)c1ccc(Br)cc1	ZINC000001514683	EG	Annotated	Mild	 
CC(=O)OC[C@@H](C#Cc1ccc(-c2cccs2)s1)OC(C)=O	ZINC000001530007	EG	Annotated	Mild	in-vitro
CC(=O)OC[C@H](C#Cc1ccc(-c2cccs2)s1)OC(C)=O	ZINC000001530008	EG	Annotated	Mild	in-vitro
CNCC[C@@]1(c2ccc(OC)c(OC)c2)CCc2ncccc2C1	ZINC000001532505	EG	Annotated	Anodyne	 
Cn1c(N)nc(Cc2ccc(CCCCO)cc2)c1Cc1ccccc1	ZINC000001535343	EG	Annotated	Anodyne	
C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CCC[C@H]1C2	ZINC000001545829	EG	Annotated	Mild	
C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2	ZINC000001546299	EG	Annotated	Mild	
Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2	ZINC000001549243	EG	Annotated	Anodyne	
CN[C@@H](c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1	ZINC000001549674	EG	Annotated	Anodyne	
O=C(O)CCn1ccc2cc(OCCCNc3ccccn3)ccc21	ZINC000001553395	EG	Annotated	Anodyne	
O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(F)cc1F	ZINC000001553482	EG	Annotated	Anodyne	
CC(=O)Oc1c2c(c(OC(C)=O)c3cc(Cl)ccc13)OCCO2	ZINC000001554437	EG	Annotated	Anodyne	
CC(=O)OCc1c(COC(C)=O)c(-c2ccccc2)n2c1CCC2	ZINC000001557872	EG	Annotated	Anodyne	 
N=C(N)Nc1ccccc1SSc1ccccc1NC(=N)N	ZINC000001571141	EG	Annotated	Reactive	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](O)C1=O	ZINC000001571973	EG	Annotated	Mild	
CC(C)C1=CC(=O)C2=C(CC[C@@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O	ZINC000001572127	EG	Annotated	Mild	 
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2N	ZINC000001572459	EG	Annotated	Clean	in-man
CC[C@@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1	ZINC000001608516	EG	Annotated	Anodyne	in-man endogenous
CC[C@H](C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1	ZINC000001608517	EG	Annotated	Anodyne	in-man endogenous
CC[C@@H](C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1	ZINC000001608518	EG	Annotated	Anodyne	in-man endogenous
CC[C@H](C)C(=O)OC[C@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1	ZINC000001608519	EG	Annotated	Anodyne	in-man endogenous
C[n+]1cc2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3	ZINC000001612238	EG	Annotated	Bother	in-vitro biogenic
COc1ccc2c(c1OC)-c1c3c(cc4ccnc(c14)C2=O)OCO3	ZINC000001613391	EG	Annotated	Anodyne	 
C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@]1(O)C3	ZINC000001616088	EG	Annotated	Mild	
O=C(c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccccc21	ZINC000001616301	EG	Annotated	Anodyne	
O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccccc21	ZINC000001616302	EG	Annotated	Anodyne	
O=C(c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21	ZINC000001616303	EG	Annotated	Anodyne	
O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2ccccc21	ZINC000001616304	EG	Annotated	Anodyne	
COC(=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1NC(C)=O	ZINC000001616559	EG	Annotated	Anodyne	
CO[C@@H]1[C@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O	ZINC000001616567	EG	Annotated	Anodyne	
CO[C@@H]1[C@@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O	ZINC000001616569	EG	Annotated	Anodyne	
CCOC(=O)c1sc2c(C(=O)OCC)n3ccccc3c2c1N	ZINC000001617257	EG	Annotated	Anodyne	
COc1ccc(O[C@@H](C(=O)O)c2ccccc2)c2c1CCCC2=O	ZINC000001617930	EG	Annotated	Anodyne	
CCOC(=O)c1cc(OC(=O)CC)c2c(OC)ccc(OC)c2c1	ZINC000001618073	EG	Annotated	Anodyne	
CCCNC(=O)N(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000001618711	EG	Annotated	Anodyne	
CCCNC(=O)N(C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000001618712	EG	Annotated	Anodyne	
CCOC(=O)[C@H](NO)[C@H](Sc1ccccc1)c1ccc(OC)cc1	ZINC000001619745	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](NO)[C@H](Sc1ccccc1)c1ccc(OC)cc1	ZINC000001619746	EG	Annotated	Anodyne	
CCOC(=O)[C@H](NO)[C@@H](Sc1ccccc1)c1ccc(OC)cc1	ZINC000001619747	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](NO)[C@@H](Sc1ccccc1)c1ccc(OC)cc1	ZINC000001619748	EG	Annotated	Anodyne	
O=c1/c(=C/c2c(O)ccc3ccccc23)sc2nc3ccccc3n12	ZINC000001623213	EG	Annotated	Anodyne	
COc1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c(C)c(C)nc12	ZINC000001625756	EG	Annotated	Bother	
C=CCO/N=C(\OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000001625764	EG	Annotated	Mild	
COc1ccc([C@@H]2Cc3cc(OC)c(OC)c(OC)c3C2=O)cc1	ZINC000001626205	EG	Annotated	Anodyne	
CCCNCc1nc2ccc(Br)cc2c(=O)n1CCC	ZINC000001626368	EG	Annotated	Anodyne	
O=C1C2=C(c3ccccc31)[C@@H](c1ccccc1)N1C(=O)CSC1=N2	ZINC000001626631	EG	Annotated	Mild	
C[C@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O	ZINC000001628783	EG	Annotated	Mild	 
Clc1ccc(-n2nnc(C3=NCCCN3)c2-c2ccccc2)cc1	ZINC000001629420	EG	Annotated	Anodyne	
Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccccc2)cc1	ZINC000001629423	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3)c2C2=NCCN2)cc1	ZINC000001629436	EG	Annotated	Bother	
CC(C)NCCC[C@H](C)Nc1ccnc2ccc3nn(C)nc3c12	ZINC000001629886	EG	Annotated	Anodyne	
CCOC1=C2N=C(Cc3ccc(F)cc3)N[C@H]2C(=O)c2ccccc21	ZINC000001630237	EG	Annotated	Anodyne	
CN1N=C(Nc2ccccc2)Sc2c1cnn(-c1ccccc1)c2=O	ZINC000001630241	EG	Annotated	Anodyne	
Cn1c2c(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CC2	ZINC000001630793	EG	Annotated	Anodyne	
Cn1cc2ccccc2c1-c1nc(F)nc(Nc2ccc(N)cc2)n1	ZINC000001631754	EG	Annotated	Clean	
O=C(Nc1ccc(Cl)cc1)C(=O)C1=C(O)c2ccccc2OC1	ZINC000001631869	EG	Annotated	Mild	
O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl	ZINC000001632070	EG	Annotated	Reactive	
O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl	ZINC000001632071	EG	Annotated	Reactive	
Cc1c(-c2nnc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C	ZINC000001633137	EG	Annotated	Anodyne	
O=C(NNC(=O)c1nsc2ccccc12)c1ccc(Cl)cc1	ZINC000001633443	EG	Annotated	Reactive	
CCNC1=Nc2ccccc2-n2c(nn3nc4ccccc4c23)N1CC	ZINC000001634528	EG	Annotated	Anodyne	
COC(OC)c1cccc2c1C(=O)CCC1(CC2)OCCCCO1	ZINC000001634641	EG	Annotated	Anodyne	
COC1(OC)CCCC[C@H]2c3cccc(OC(C)=O)c3[C@]21OC(C)=O	ZINC000001634681	EG	Annotated	Anodyne	
COC1(OC)CCCC[C@@H]2c3cccc(OC(C)=O)c3[C@@]21OC(C)=O	ZINC000001634682	EG	Annotated	Anodyne	
COC1(OC)CCCC[C@H]2c3cccc(OC(C)=O)c3[C@@]21OC(C)=O	ZINC000001634683	EG	Annotated	Anodyne	
COC(OC)c1cccc2c1C(=O)CC[C@@]1(O)c3ccccc3[C@H]1C2	ZINC000001634688	EG	Annotated	Anodyne	
COC(OC)c1cccc2c1C(=O)CC[C@]1(O)c3ccccc3[C@H]1C2	ZINC000001634689	EG	Annotated	Anodyne	
COC(OC)c1cccc2c1C(=O)CC[C@]1(O)c3ccccc3[C@@H]1C2	ZINC000001634690	EG	Annotated	Anodyne	
O=C1C(c2ccc([N+](=O)[O-])cc2)=C(Cl)C(=O)c2c(O)cccc21	ZINC000001635013	EG	Annotated	Mild	 
O=C1C(Cl)=C(c2ccc([N+](=O)[O-])cc2)C(=O)c2c(O)cccc21	ZINC000001635014	EG	Annotated	Mild	 
CC(=O)NC1(NC(C)=O)[C@H]2C[C@@H]([C@H]1Cc1ccccc1)C(C)(C)[C@@H]2C	ZINC000001635164	EG	Annotated	Anodyne	
N#Cc1ccc(NC(=Nc2ccc3ccccc3c2)NCC(=O)O)cc1	ZINC000001638084	EG	Annotated	Mild	
CC(CCC#N)(CCC#N)C(=O)CC(O)(C(F)(F)F)C(F)(F)F	ZINC000001639214	EG	Annotated	Mild	
Cc1cc(C)n(C(C)(C(=O)Cc2ccccc2)n2nc(C)cc2C)n1	ZINC000001642241	EG	Annotated	Anodyne	
Cc1cc2c(c(S(=O)(=O)c3ccccc3[N+](=O)[O-])c1)NCCC2	ZINC000001642738	EG	Annotated	Bother	
Nc1ncc(Cl)c(NCC2(CO)CC(CCc3ccccc3)C2)n1	ZINC000001645707	EG	Annotated	Anodyne	
Nc1nc(Cl)cc(NCC2(CO)CC(CCc3ccccc3)C2)n1	ZINC000001645737	EG	Annotated	Anodyne	
CC(=O)Oc1ccn2nc(C)c(Br)c2c1Br	ZINC000001647324	EG	Annotated	Anodyne	
O=C(O)COc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3	ZINC000001649437	EG	Annotated	Anodyne	
O=C1c2cc(Cl)ccc2N=C(NC2CCCC2)[C@@H]2CSCN12	ZINC000001649452	EG	Annotated	Anodyne	
CN(C)CCNc1ncnc2[nH]c(-c3ccc4ccccc4c3)nc12	ZINC000001649543	EG	Annotated	Anodyne	
CN(C)CCNc1nc(-c2ccc3ccccc3c2)nc2[nH]cnc12	ZINC000001649544	EG	Annotated	Anodyne	
CCN(CC)c1c(C(C)(C)C)c(=O)n2ccsc2c1OC(C)=O	ZINC000001650073	EG	Annotated	Anodyne	
CN(CC(=O)O)c1ncc2c(n1)-c1ccccc1O[C@H]2c1ccccc1	ZINC000001651214	EG	Annotated	Anodyne	
O=c1c2c3c(sc2nc2n1N=CN(c1ccccc1)C2)CCCC3	ZINC000001651329	EG	Annotated	Anodyne	
Cc1sc2nc3n(c(=O)c2c1C)N=CN(c1ccc(F)cc1)C3	ZINC000001651337	EG	Annotated	Anodyne	
COC(=O)c1cc(Br)c(C(=O)C(Cl)(Cl)Cl)[nH]1	ZINC000001653344	EG	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)c2ccsc2NC(=O)C(F)(F)F)cc1	ZINC000001653567	EG	Annotated	Anodyne	
CC(C)OP(=O)(OC(C)C)c1c(N)n[nH]c1Nc1ccccc1	ZINC000001655259	EG	Annotated	Anodyne	
CN(CCSCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	ZINC000001656520	EG	Annotated	Anodyne	
Cc1c(-c2ccccc2)c(C#N)c2nnn(C3CCCCC3)c(=O)n12	ZINC000001657799	EG	Annotated	Mild	
O=CN(CCN1CCCC1)[C@H]1CCc2cc(Cl)c(Cl)cc2C1	ZINC000001657944	EG	Annotated	Anodyne	
Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@H](Cc3ccccc3)C2)n1	ZINC000001658380	EG	Annotated	Anodyne	
Nc1nc(Cl)cc(NC[C@]2(CO)CC[C@@H](Cc3ccccc3)C2)n1	ZINC000001658381	EG	Annotated	Anodyne	
Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@H](Cc3ccccc3)C2)n1	ZINC000001658382	EG	Annotated	Anodyne	
Nc1nc(Cl)cc(NC[C@@]2(CO)CC[C@@H](Cc3ccccc3)C2)n1	ZINC000001658383	EG	Annotated	Anodyne	
COc1nc2ccc(Cl)c([C@H](O)c3ccccc3)c2nc1OC	ZINC000001662002	EG	Annotated	Anodyne	
COc1ccc(C[C@H]2COc3cc(OC)cc(OC)c3C2=O)cc1	ZINC000001663393	EG	Annotated	Anodyne	in-vitro biogenic
C[C@H]1CN(C(=S)Nc2ccccc2)[C@H](C)CN1c1ccccn1	ZINC000001694713	EG	Annotated	Anodyne	 
COC(=O)C1=CO[C@H](C)[C@@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12	ZINC000001702575	EG	Annotated	Anodyne	 
COc1c(O)ccc2c1c[n+](C)c1c3cc4c(cc3ccc21)OCO4	ZINC000001763759	EG	Annotated	Bother	in-vitro biogenic
CCCOC(=O)C[N+](C)(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000001818402	EG	Annotated	Mild	 
CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O	ZINC000001859054	EG	Annotated	Mild	
COc1cc2c(cc1OC)O[C@H](c1c(OC)ccc(OC)c1O)CC2	ZINC000001859805	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](C)c1nc2cc3cccnc3c(Cl)c2nc1O	ZINC000001859808	EG	Annotated	Bother	
CCOC(=O)[C@@]1(C/C=C/CBr)Cc2ccccc2C1=O	ZINC000001860179	EG	Annotated	Reactive	
CCOC(=O)[C@]1(C/C=C/CBr)Cc2ccccc2C1=O	ZINC000001860182	EG	Annotated	Reactive	
CO[C@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@@H]12	ZINC000001860360	EG	Annotated	Anodyne	
CO[C@@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@@H]12	ZINC000001860361	EG	Annotated	Anodyne	
CO[C@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@H]12	ZINC000001860363	EG	Annotated	Anodyne	
CO[C@@H]1C(N(C)C)=C(c2ccccc2)C(=O)N2CCc3ccccc3[C@H]12	ZINC000001860364	EG	Annotated	Anodyne	
CCCCc1ccc(N2C(=O)c3cc(C)cnc3S2(=O)=O)cc1	ZINC000001860713	EG	Annotated	Anodyne	
N#C[C@H](c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-]	ZINC000001861463	EG	Annotated	Mild	
CN(C)P(=O)(Oc1occc1[C@@H](O)Cc1ccccc1)N(C)C	ZINC000001862096	EG	Annotated	Anodyne	 
COCCCOc1cc2[n+](cc1C)-c1nc3ccccc3n1SC2	ZINC000001914575	EG	Annotated	Anodyne	in-man
O=C(NCc1ccccc1)[C@@H]1CC12CCN(C(=O)C1=CCCC1)CC2	ZINC000015000756	EG	Annotated	Anodyne	 
O=C(NCc1ccccc1)[C@H]1CC12CCN(C(=O)C1=CCCC1)CC2	ZINC000015000758	EG	Annotated	Anodyne	 
CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@H]1O)OCO3	ZINC000015045092	EG	Annotated	Anodyne	 
CC(C)c1ccc2c(c1O)C(=O)C[C@H]1[C@@](C)(CO)C(=O)CC[C@]21C	ZINC000015045523	EG	Annotated	Anodyne	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(\C)CC[C@@H]2O	ZINC000015049202	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(\C)[C@@H](O)CC/C(C)=C/CC[C@]2(C)O	ZINC000015049229	EG	Annotated	Mild	
C=C1CC[C@@H]2C[C@@H](OC(=O)C2=C)[C@@](C)(O)CC/C=C(\C)CC[C@@H]1O	ZINC000015049242	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C=C12	ZINC000015054478	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]12	ZINC000015054841	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C	ZINC000015055024	EG	Annotated	Anodyne	in-man endogenous
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C	ZINC000015055027	EG	Annotated	Anodyne	in-man
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C	ZINC000015055030	EG	Annotated	Anodyne	in-man
C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2C[C@@H]2CCC(=O)[C@@H](C)[C@@]21C	ZINC000015055031	EG	Annotated	Anodyne	in-man
C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@]12C	ZINC000015055470	EG	Annotated	Mild	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@H](C2=O)[C@@H](O)CC[C@H]1C	ZINC000015058377	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000015058941	EG	Annotated	Mild	in-man endogenous
C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000015060994	EG	Annotated	Mild	
CC1=C(CCC2=CC(=O)OC2)[C@@]2(C)C[C@@H](O)CC(C)(C)[C@@H]2[C@@H](O)C1	ZINC000015061224	EG	Annotated	Anodyne	
Cc1ncc(CNCc2cccnc2N(C)C2CCCCC2)n1C	ZINC000015063926	EG	Annotated	Anodyne	 
Cc1cnc(CNc2nncc(-c3cccc4ccccc34)n2)cn1	ZINC000015065717	EG	Annotated	Anodyne	 
CCCc1ccc2oc(C(=O)NCCc3cnn(C)c3)c(C)c2c1	ZINC000015066168	EG	Annotated	Anodyne	 
Cc1ccc(-c2n[nH]cc2CN2CCN(c3ccncc3)CC2)cc1C	ZINC000015068978	EG	Annotated	Anodyne	 
CN(CCC1CCOCC1)c1nncc(-c2cccc(Cl)c2)n1	ZINC000015071546	EG	Annotated	Anodyne	 
CCn1cc(CN2CC[C@@]3(CCCN(CC4CCC4)C3)C2)c(C)n1	ZINC000015071648	EG	Annotated	Anodyne	 
CCn1cc(CN2CC[C@]3(CCCN(CC4CCC4)C3)C2)c(C)n1	ZINC000015071650	EG	Annotated	Anodyne	 
Cc1ccc(C(=O)N[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1	ZINC000015073107	EG	Annotated	Anodyne	 
Cc1ccc(C(=O)N[C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1	ZINC000015073108	EG	Annotated	Anodyne	 
Cc1cccc(CN2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)c1	ZINC000015073120	EG	Annotated	Anodyne	 
Cc1cccc(CN2CCC[C@]3(CCN(C4CCOCC4)C3)C2)c1	ZINC000015073121	EG	Annotated	Anodyne	 
CCCCc1nc2cc(C(=O)NCc3cn(C)nc3C)ccc2o1	ZINC000015075178	EG	Annotated	Anodyne	 
C=C1[C@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12	ZINC000015107397	EG	Annotated	Mild	in-man endogenous
C=C1[C@@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12	ZINC000015107400	EG	Annotated	Mild	in-man endogenous
C=C1[C@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12	ZINC000015107403	EG	Annotated	Mild	in-man endogenous
C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12	ZINC000015107406	EG	Annotated	Mild	in-man endogenous
CC1(C)C(=O)C(O)=C[C@]2(C)[C@H]3CC[C@@](C)(C(=O)CO)C=C3CC[C@@H]12	ZINC000015114009	EG	Annotated	Mild	
C=C1CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@H]2C(=C)CC[C@@H]1O	ZINC000015119072	EG	Annotated	Mild	 
C=C1CC(=O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000015119095	EG	Annotated	Mild	 
C=CC(C)(C)[C@]1(OC)C(=O)Oc2cc3occc3c(OC)c2C1=O	ZINC000015120953	EG	Annotated	Mild	 
C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3cc(O)c(O)cc3oc12	ZINC000015121024	EG	Annotated	Mild	in-vitro biogenic
O=C1c2cc3ccoc3cc2O[C@@H]2COc3cc4c(cc3[C@@H]12)OCO4	ZINC000015147370	EG	Annotated	Anodyne	in-man
COC1=C2C(C)(C)C(=O)C=C[C@@]2(C)c2c(cc(C)c(O)c2OC)C1=O	ZINC000015148264	EG	Annotated	Mild	 
Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)C1=C(C=CC2)C(=O)OC1	ZINC000015148285	EG	Annotated	Anodyne	 
COc1c2c(cc3c1OCO3)[C@]13C[C@@H](OC)CC=C1CCN3CCC2	ZINC000015148607	EG	Annotated	Anodyne	 
COc1cc([C@@H](O)CCO)cc2cc(-c3ccc4c(c3)OCO4)oc12	ZINC000015149520	EG	Annotated	Anodyne	 
C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)C1=CC=C[C@H]32	ZINC000015155075	EG	Annotated	Anodyne	
C=C1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000015155119	EG	Annotated	Mild	
COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)[C@H]1CC[C@]3(C)CO1	ZINC000015158761	EG	Annotated	Mild	 
C=C1[C@H](O)CC[C@]2(C)CC[C@]3(O)O[C@]12C[C@]3(C)CCC(=O)C(C)C	ZINC000015159330	EG	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H](O)[C@]3(O)O[C@]12C[C@]3(C)CCC(=O)C(C)C	ZINC000015159338	EG	Annotated	Mild	 
CC(=O)O[C@@H]1C/C(C)=C/CC[C@@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C	ZINC000015160721	EG	Annotated	Anodyne	 
C[C@@H]1CC[C@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)CCc1ccoc1	ZINC000015162801	EG	Annotated	Anodyne	 
C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1	ZINC000015162827	EG	Annotated	Anodyne	biogenic
C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2C=C[C@H](C)[C@]13C	ZINC000015163644	EG	Annotated	Mild	
CC1=C(CCc2ccoc2)[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@@H](O)C1=O	ZINC000015164707	EG	Annotated	Mild	in-vitro biogenic
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O/C(=C(\CO)C(=O)C=O)C[C@H]21	ZINC000015166233	EG	Annotated	Mild	 
Cc1ccc([C@]2(COC(=O)CC(C)C)CO2)c(OC(=O)C(C)C)c1	ZINC000015169440	EG	Annotated	Anodyne	in-man metabolite
Cc1ccc([C@@]2(COC(=O)CC(C)C)CO2)c(OC(=O)C(C)C)c1	ZINC000015169442	EG	Annotated	Anodyne	in-man metabolite
CC[C@@H]1CN(C)C[C@@]2(C(=O)OC)Cc3c([nH]c4ccccc34)C=C[C@@H]12	ZINC000015203411	EG	Annotated	Anodyne	
CC(C)(O)[C@H]1Cc2c(ccc3c2O[C@H]2c4ccc(O)cc4OC[C@@H]32)O1	ZINC000015203754	EG	Annotated	Anodyne	
CC(C)CNC(=O)/C=C/C=C/C[C@@H]1CCc2cc3c(cc2O1)OCO3	ZINC000015204164	EG	Annotated	Anodyne	 
CC(C)CNC(=O)/C=C/C=C/C[C@H]1CCc2cc3c(cc2O1)OCO3	ZINC000015204166	EG	Annotated	Anodyne	 
COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)[N+]1(C)C)OCO4	ZINC000015204433	EG	Annotated	Bother	 
CCO[C@@H]1OC(=O)c2c(OC)c(C)c(OCC=C(C)C)c(CO)c21	ZINC000015204705	EG	Annotated	Anodyne	 
CCO[C@@H]1OC(=O)c2c(OC)c(C)c(OCC=C(C)C)c(C=O)c21	ZINC000015204707	EG	Annotated	Anodyne	 
C=C[C@]1(C)C[C@](O)([C@@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21	ZINC000015204719	EG	Annotated	Mild	
COc1cccc2c1C(=O)c1c(cc3cc([C@@H](C)O)ccc3c1O)C2=O	ZINC000015204913	EG	Annotated	Clean	 
C=C[C@](C)(O)C[C@@H](/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)OC(C)=O	ZINC000015213937	EG	Annotated	Mild	
COn1c(Br)c2c3c(cccc31)[C@H]1C[C@@H](C)CN(C)[C@@H]1C2	ZINC000015215697	EG	Annotated	Anodyne	
CC1(C)Oc2c(c(O)cc(O)c2C(=O)/C=C/c2ccccc2)C[C@@H]1O	ZINC000015216758	EG	Annotated	Mild	 
C=CC(C)(C)[C@@]12Nc3cc(Br)ccc3[C@]1(O)CCN2C	ZINC000015217252	EG	Annotated	Mild	 
CC(C)=CCN1c2cc(Br)ccc2[C@@]2(O)CCN(C)[C@@H]12	ZINC000015217254	EG	Annotated	Anodyne	
COc1c(O)ccc2c(C=O)c3c4c(cc5c(c4c12)OCO5)CCN3	ZINC000015217415	EG	Annotated	Bother	 
O=Cc1c2c3c(cc4c(c3c3c5c(ccc13)OCO5)OCO4)CCN2	ZINC000015217417	EG	Annotated	Bother	 
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CCN3CCC2	ZINC000015217665	EG	Annotated	Anodyne	in-vitro biogenic
CC#CC#C[C@@H](OC(=O)CC(C)C)c1cccc(OC)c1C(=O)OC	ZINC000015218719	EG	Annotated	Mild	 
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@@]1(C)O	ZINC000015221196	EG	Annotated	Anodyne	
Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@@]1(C)O	ZINC000015221202	EG	Annotated	Anodyne	
[N-]=[N+]=Nc1cc([N+](=O)[O-])cc2c1C(=O)N(Cc1ccccc1)S2=O	ZINC000015240291	EG	Annotated	Mild	 
COC1=C[C@@]23C[C@@H](C[C@@H](c4ccc5c(c4)OCO5)[C@@H]2C)OC3=CC1=O	ZINC000015249215	EG	Annotated	Mild	in-vitro biogenic
COc1cc2ccc1Oc1cc(ccc1O)C[C@H](O)C(=O)CCCC2	ZINC000015251176	EG	Annotated	Anodyne	in-vitro biogenic
COc1cc2ccc1Oc1cc(ccc1O)C[C@@H](O)C(=O)CCCC2	ZINC000015251179	EG	Annotated	Anodyne	 
C=C(C)[C@@H]1Cc2cc3c(cc2O1)C(=O)c1cc(O)c(C)c(O)c1C3=O	ZINC000015251584	EG	Annotated	Mild	 
COc1ccc2c(c1O)-c1c(OC)c(OC)cc3ccnc(c13)C2=O	ZINC000015257689	EG	Annotated	Anodyne	 
CC(C)C(=O)OCc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)C=C3	ZINC000015263870	EG	Annotated	Anodyne	 
O=C1NC[C@@H](c2c[nH]c3ccccc23)N[C@H]1c1c[nH]c2ccccc12	ZINC000015266964	EG	Annotated	Anodyne	 
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@@]23C(=O)O[C@@H](c2ccoc2)C[C@@]13O	ZINC000015267346	EG	Annotated	Mild	
CCOC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12	ZINC000015273432	EG	Annotated	Anodyne	 
FC(F)(F)c1ccc(CNc2ccc([C@H]3CNCCO3)cc2)cn1	ZINC000150037902	EG	Annotated	Anodyne	
Clc1cnc(Nc2ccc([C@@H]3CNCCO3)c(Cl)c2)nc1	ZINC000150051531	EG	Annotated	Anodyne	
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000153243341	EG	Annotated	Anodyne	 
C=C[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000153254209	EG	Annotated	Mild	 
C/C=C(\C)C(=O)O[C@@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21	ZINC000153510163	EG	Annotated	Reactive	 
CC[C@@H](C)C(=O)O[C@@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21	ZINC000153510417	EG	Annotated	Reactive	 
O=C1NC(=O)[C@@H]2c3c[nH]c4cccc(c34)-c3[nH]c4ccccc4c3[C@@H]12	ZINC000154327341	EG	Annotated	Anodyne	 
O=C1COc2cc3[nH]c(-c4ccc(OC(F)F)cc4)nc3cc2N1	ZINC000154790374	EG	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3ccc(OC)cc3)nn2c1O	ZINC000015668899	EG	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3ccc(F)cc3)nn2c1O	ZINC000015668905	EG	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3ccccc3C)nn2c1O	ZINC000015668915	EG	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3ccccc3F)nn2c1O	ZINC000015668918	EG	Annotated	Anodyne	 
CCc1c(C)nc2nc(NCc3c(F)cccc3Cl)nn2c1O	ZINC000015668926	EG	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3cccc(C)c3)nn2c1O	ZINC000015668929	EG	Annotated	Anodyne	 
Oc1c2c(nc3nc(NCc4c(F)cccc4Cl)nn13)CCCC2	ZINC000015668947	EG	Annotated	Anodyne	 
CCCc1cc(O)n2nc(NCc3ccc(SC)cc3)nc2n1	ZINC000015668968	EG	Annotated	Anodyne	 
CCCc1cc(O)n2nc(NCc3ccc(OC(C)C)cc3)nc2n1	ZINC000015668985	EG	Annotated	Anodyne	 
CSc1ccc(CNc2nc3nc(C)c(Cl)c(O)n3n2)cc1	ZINC000015669008	EG	Annotated	Anodyne	 
Cc1nc2nc(NCc3ccc(OC(C)C)cc3)nn2c(O)c1Cl	ZINC000015669022	EG	Annotated	Anodyne	 
CCc1c(C)nc2nc(NCc3ccc(OC(C)C)cc3)nn2c1O	ZINC000015669029	EG	Annotated	Anodyne	 
CSc1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1	ZINC000015669042	EG	Annotated	Anodyne	 
CC(C)CN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1	ZINC000015779225	EG	Annotated	Anodyne	 
Cc1sc(-n2cccc2CNC[C@@H]2CCCO2)c(C(=O)O)c1C	ZINC000015782961	EG	Annotated	Anodyne	 
Cc1sc(-n2cccc2CNC[C@H]2CCCO2)c(C(=O)O)c1C	ZINC000015782963	EG	Annotated	Anodyne	 
O=C(c1cc(-c2ccncc2)[nH]n1)N1CC=C(c2ccccc2)CC1	ZINC000015785463	EG	Annotated	Anodyne	 
CC(NNC(=O)c1ccc(OC2CCCC2)cc1)=C1C=CC(=O)C=C1	ZINC000015885209	EG	Annotated	Reactive	 
O=C(/N=C1\c2ccccc2CN1c1ncccn1)Nc1ccccc1	ZINC000015912968	EG	Annotated	Mild	
C/C(NNS(=O)(=O)c1ccc(C)cc1C)=C1/C=Nc2ccccc21	ZINC000015933966	EG	Annotated	Anodyne	 
C/C(NNS(=O)(=O)c1ccc(C)c(C)c1)=C1/C=Nc2ccccc21	ZINC000015934486	EG	Annotated	Anodyne	 
C/C(NNS(=O)(=O)c1cc(C)ccc1C)=C1/C=Nc2ccccc21	ZINC000015934511	EG	Annotated	Anodyne	 
Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c(=O)[nH]1	ZINC000015934832	EG	Annotated	Anodyne	 
Cc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c(=O)[nH]1	ZINC000015934833	EG	Annotated	Anodyne	 
CCCC[C@H]1COCCS(=O)(=O)N1Cc1cccc(Cl)c1	ZINC000015935037	EG	Annotated	Anodyne	 
CCCCNC(=O)O[C@H]1C[C@@H]2CCN3C(=O)CCC[C@@H]([C@H]23)[C@H]1CC	ZINC000015935331	EG	Annotated	Anodyne	 
COc1ccc(-c2nnc(N(C)C(=O)c3ccco3)s2)cc1OC	ZINC000015935716	EG	Annotated	Anodyne	 
O=S1(=O)CCOC[C@H](CC2CCCCC2)N1Cc1ccccc1	ZINC000015937278	EG	Annotated	Anodyne	 
CCCCNC(=O)O[C@H]1C[C@@H]2CCN3C(=O)CCC(C)(C)[C@H](C1)[C@H]23	ZINC000015937339	EG	Annotated	Anodyne	 
CCCCNC(=O)O[C@@H]1C[C@@H]2CCN3C(=O)CCC[C@@H]([C@H]23)[C@H]1CC	ZINC000015937361	EG	Annotated	Anodyne	 
CCN1C(NCC(C)C)=N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C	ZINC000015937411	EG	Annotated	Anodyne	 
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(F)cc3)[nH]c2c1	ZINC000015952290	EG	Annotated	Anodyne	 
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccsc3)[nH]c2c1	ZINC000015952292	EG	Annotated	Anodyne	 
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(C)cc3)[nH]c2c1	ZINC000015952298	EG	Annotated	Anodyne	 
O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12	ZINC000015952419	EG	Annotated	Clean	 
O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12	ZINC000015952420	EG	Annotated	Clean	
O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21	ZINC000015952421	EG	Annotated	Clean	 
O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12	ZINC000015952422	EG	Annotated	Clean	
O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]21	ZINC000015952439	EG	Annotated	Clean	 
O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]12	ZINC000015952440	EG	Annotated	Clean	
O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21	ZINC000015952441	EG	Annotated	Clean	 
O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12	ZINC000015952442	EG	Annotated	Clean	
COC1=C/C(=C/NNc2ccc(C)cc2)C=C(Br)C1=O	ZINC000015953027	EG	Annotated	Mild	 
O=C(NN/C=C1/C=CC=N1)c1ccccc1OCc1ccc(F)cc1	ZINC000015953086	EG	Annotated	Reactive	 
CN(CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(CC2CC2)no1	ZINC000015961744	EG	Annotated	Anodyne	 
CCn1ccnc1CN(C)Cc1cn[nH]c1-c1ccc(OC)c(F)c1	ZINC000015961748	EG	Annotated	Anodyne	 
CNC(=S)N/N=C\c1cn(Cc2ccc(C)cc2)c2ccccc12	ZINC000015974173	EG	Annotated	Mild	 
O=C(NN/C=C1/C=NN=C1c1ccc(Cl)cc1)c1cccs1	ZINC000015974587	EG	Annotated	Reactive	
CC[C@@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1	ZINC000015974832	EG	Annotated	Anodyne	 
CC[C@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1	ZINC000015974833	EG	Annotated	Anodyne	 
COc1ccccc1/C=C/C=N\n1c(S)nnc1-c1ccccn1	ZINC000015985552	EG	Annotated	Mild	 
Sc1nnc(COc2ccccc2)n1/N=C\C=C\c1ccco1	ZINC000015986314	EG	Annotated	Mild	 
COc1ccccc1/C=C/C=N\n1c(S)nnc1-c1ccncc1	ZINC000015986327	EG	Annotated	Mild	 
Cc1cc(C)n(C(=O)/C(C#N)=N\Nc2cc(Cl)cc(Cl)c2)n1	ZINC000015986822	EG	Annotated	Mild	 
N#CCC(=O)N/N=C\c1ccc(Sc2nc3ccccc3s2)o1	ZINC000015989501	EG	Annotated	Reactive	 
O=C(COc1ccc(Cl)cc1)N/N=C\c1cccc2cccnc12	ZINC000015997736	EG	Annotated	Reactive	 
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12	ZINC000155804094	EG	Annotated	Anodyne	biogenic
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\C)[C@@H](OC(=O)[C@@H](C)CC)C[C@@H]12	ZINC000155804196	EG	Annotated	Anodyne	biogenic
C=C[C@@](C)(O)CC(=O)/C=C(\C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C	ZINC000156116158	EG	Annotated	Mild	 
C/C=C1/CN(C)[C@H]2Cc3c(n(OC)c4ccccc34)[C@@H]3C[C@@H]1[C@@H]2CO3	ZINC000156245845	EG	Annotated	Anodyne	 
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)[C@H](C)CC)[C@@]1(C)O[C@H]21	ZINC000156769661	EG	Annotated	Mild	 
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@@H]21	ZINC000156769944	EG	Annotated	Mild	 
CC(C)C1=C(O)C(=O)C2=C(C=C[C@H]3[C@]4(C)CCC[C@@]3(C2)OC4)C1=O	ZINC000156799572	EG	Annotated	Mild	 
C/C=C1/C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO	ZINC000157514688	EG	Annotated	Bother	 
CC(=O)OC[C@@]12CO[C@H](CN3CCCCC3)[C@@H](C(C)=C[C@H]1C)[C@H]2C	ZINC000016035809	EG	Annotated	Anodyne	 
CN1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1	ZINC000016405888	EG	Annotated	Mild	
O=C1c2ccc(O)cc2[C@@]23CCCC[C@H]2[C@H]1N(C[C@@H]1CCCO1)CC3	ZINC000164406835	EG	Annotated	Anodyne	 
CCS(=O)(=O)c1ccc(C=NNc2nc3ccccc3o2)cc1	ZINC000016892175	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)N[C@]2(C=O)CCC[C@@H]3CCCC[C@H]32)cc1	ZINC000016952884	EG	Annotated	Mild	 
CC(=O)NC1(NC(C)=O)[C@H]2C[C@@H]([C@@H]1Cc1ccccc1)C(C)(C)[C@H]2C	ZINC000016958290	EG	Annotated	Anodyne	 
Nc1nc(-c2nccs2)nc(-c2nccs2)c1Br	ZINC000165087276	EG	Annotated	Anodyne	
C[C@H](O)CC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@@H]34	ZINC000165251196	EG	Annotated	Mild	
C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C	ZINC000165691147	EG	Annotated	Anodyne	
CC(C)[C@H]1/C=C/[C@@](C)(O)CC(=O)C[C@@]2(C)CC[C@H](O2)[C@](C)(O)CC1	ZINC000165840349	EG	Annotated	Anodyne	
Clc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1	ZINC000165949409	EG	Annotated	Mild	 
CC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)OC2=O	ZINC000166065269	EG	Annotated	Reactive	
CC(C)=CCC[C@@H](C)[C@H]1[C@@H]2COC(=O)/C2=C/C[C@H]2O[C@]2(C)C[C@H]1O	ZINC000166345996	EG	Annotated	Anodyne	
C[C@@H]1CN(c2nccnn2)CC[C@@H]1Oc1cc(Cl)ccc1Cl	ZINC000166377935	EG	Annotated	Anodyne	 
C[C@H]1CN(c2nccnn2)CC[C@@H]1Oc1cc(Cl)ccc1Cl	ZINC000166378039	EG	Annotated	Anodyne	 
O=C(NO)c1cnc(NC2(c3cccc(F)c3)CCCCC2)nc1	ZINC000166616349	EG	Annotated	Anodyne	
O=C(NO)c1cnc(NC2(c3cc(Cl)cc(Cl)c3)CC2)nc1	ZINC000166658253	EG	Annotated	Anodyne	
C=C1C[C@H](O)/C=C(\C)CC[C@@H]2[C@@H](/C=C/CC(C)(C)O)C(=O)OC[C@@H]12	ZINC000166667555	EG	Annotated	Mild	
C[C@@H]1CC[C@]2(O)[C@H](CC[C@@H](O)C2(C)C)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000166956598	EG	Annotated	Anodyne	
O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]2c3ccccc3CC[C@@H]21	ZINC000168392020	EG	Annotated	Anodyne	
O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21	ZINC000168392120	EG	Annotated	Anodyne	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(/C)CC[C@@H]2O	ZINC000169290467	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@@H]2O	ZINC000169290468	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(\C)CC[C@@H]2O	ZINC000169290469	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(/C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O	ZINC000169291719	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2C[C@H]1C/C=C(\C)[C@@H](O)CC/C(C)=C\CC[C@]2(C)O	ZINC000169291720	EG	Annotated	Mild	
C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O	ZINC000169292579	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2/C=C(/C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3	ZINC000169292651	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000169292845	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000169292846	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000169292847	EG	Annotated	Mild	
C/C1=C/C=C(\[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169292896	EG	Annotated	Anodyne	
C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)C[C@H]1O	ZINC000169292897	EG	Annotated	Anodyne	
C/C1=C/C=C(/[C@@](C)(O)CO)C[C@@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169292898	EG	Annotated	Anodyne	
C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)C[C@H]1O	ZINC000169292899	EG	Annotated	Anodyne	
COC1=C[C@@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@@H]2C=C1)OCO4	ZINC000169292975	EG	Annotated	Anodyne	
COC1=C[C@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@@H]2C=C1)OCO4	ZINC000169292976	EG	Annotated	Anodyne	
C=C1C[C@@H](O)/C=C(/C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000169293309	EG	Annotated	Mild	
CC(=O)O[C@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C	ZINC000169293536	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C	ZINC000169293537	EG	Annotated	Anodyne	
CC(=O)O[C@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C	ZINC000169293538	EG	Annotated	Anodyne	
O=C(NC1CC1)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12	ZINC000169293540	EG	Annotated	Clean	
COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccccc2F)cc1	ZINC000169293545	EG	Annotated	Anodyne	 
NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H]([C@@H]1CC=CCC1)N2	ZINC000169295054	EG	Annotated	Clean	 
NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H]([C@@H]1CC=CCC1)N2	ZINC000169295055	EG	Annotated	Clean	 
CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)C=C/C=C/3CO	ZINC000169296046	EG	Annotated	Anodyne	
CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)/C=C/C=C3CO	ZINC000169296047	EG	Annotated	Anodyne	
CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C(C)(C)O)/C=C/C=C/3CO	ZINC000169296048	EG	Annotated	Anodyne	
C[C@H]1CN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@H](C)O1	ZINC000169296159	EG	Annotated	Anodyne	
O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12	ZINC000169296831	EG	Annotated	Clean	
O=C(NCCF)[C@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@H]12	ZINC000169296832	EG	Annotated	Clean	
COc1ccc(C(=O)N2C[C@]3(C)[C@@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC	ZINC000169296857	EG	Annotated	Mild	 
COc1ccc(C(=O)N2C[C@]3(C)[C@H]4CC[C@@]3(C)[C@@]2(C#N)C4)cc1OC	ZINC000169296859	EG	Annotated	Mild	 
COc1cccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(F)cc2)c1	ZINC000169297963	EG	Annotated	Anodyne	 
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC	ZINC000169299150	EG	Annotated	Mild	
CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)[C@H]4C[C@@]1(ON4)O2)[C@@H](C)C3=O	ZINC000169299670	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000169299951	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C\CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000169299952	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C\CC/C(C)=C/CC[C@@]3(CO)O[C@@H]3C[C@H]12	ZINC000169299953	EG	Annotated	Mild	
C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@@H]3[C@]1(C)C[C@@H](O)c1ccoc1	ZINC000169300242	EG	Annotated	Anodyne	
N#CC1(C#N)[C@H](c2ccccc2)O[C@@]23CCCC[C@@H]2[C@]1(C#N)C(=N)O3	ZINC000169300649	EG	Annotated	Mild	 
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000169300751	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(/C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000169300753	EG	Annotated	Mild	
CN1CCCN(C2=C3C(=N[C@@H]4C=CC=C[C@H]34)N(C)c3ccccc32)CC1	ZINC000169301253	EG	Annotated	Anodyne	
CN1CCCN(C2=C3C(=N[C@H]4C=CC=C[C@H]34)N(C)c3ccccc32)CC1	ZINC000169301254	EG	Annotated	Anodyne	
CN1CCCN(C2=C3C(=N[C@@H]4C=CC=C[C@@H]34)N(C)c3ccccc32)CC1	ZINC000169301256	EG	Annotated	Anodyne	
CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@@H]4[C@@H](C(=O)O)C1)[C@@H]32	ZINC000169303017	EG	Annotated	Anodyne	
CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@@H](C(=O)O)C1)[C@@H]32	ZINC000169303020	EG	Annotated	Anodyne	
Cc1cccc(C)c1NC(=O)[C@@]1(C)CSCC(=O)N1CC(C)C	ZINC000169303133	EG	Annotated	Anodyne	 
Cc1cccc(C)c1NC(=O)[C@]1(C)CSCC(=O)N1CC(C)C	ZINC000169303134	EG	Annotated	Anodyne	 
C=C1Nc2cc(-c3ccc(Cl)cc3)nn2C(NCCN(C)C)=C1C	ZINC000169303623	EG	Annotated	Anodyne	
CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1	ZINC000169303820	EG	Annotated	Mild	
CC(=O)[C@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1	ZINC000169303821	EG	Annotated	Mild	
CC(=O)[C@@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1	ZINC000169303822	EG	Annotated	Mild	
CC(=O)[C@H]1CC[C@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@@H]2C1	ZINC000169303823	EG	Annotated	Mild	
COc1ccc2c(c1OC)C=N[C@H]1[C@H]3C[C@H]4OCO[C@H]4C[C@H]3CC[C@H]21	ZINC000169303875	EG	Annotated	Anodyne	
C=CCNc1ccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000169304304	EG	Annotated	Mild	 
C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C	ZINC000169304625	EG	Annotated	Mild	 
C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@@]12NNC(=S)N2	ZINC000169305210	EG	Annotated	Anodyne	
CC1(C)[C@H]2C[C@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)/C(=N/O)C[C@H]21	ZINC000169305870	EG	Annotated	Mild	 
CN1CCO[C@@](O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1	ZINC000169307094	EG	Annotated	Clean	
CN1CCO[C@](O)(c2ccc3c(c2)N(C)c2ccccc2S3)C1	ZINC000169307097	EG	Annotated	Clean	
COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3OCC2)OCO4	ZINC000169307294	EG	Annotated	Anodyne	
COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@H]3OCC2)OCO4	ZINC000169307295	EG	Annotated	Anodyne	
COC(=O)/C(=C/c1ccc(OC)cc1)CSc1nc(C)cc(C)n1	ZINC000169308065	EG	Annotated	Anodyne	
CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(N)=O	ZINC000169308241	EG	Annotated	Mild	
CCCCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)NO	ZINC000169308245	EG	Annotated	Mild	
C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ccnc3C)[C@@H]2CC1	ZINC000169308962	EG	Annotated	Anodyne	
CCc1nc(C)cn1C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C=C/CC[C@@]1(C)O[C@H]21	ZINC000169308965	EG	Annotated	Anodyne	
CC(C)[C@H]1CC(=O)C2=CC3=C(CO)C(=O)C(O)=C[C@@]3(C)CC[C@@]21C	ZINC000169309055	EG	Annotated	Mild	
CCCCCCCCCCC/C(O)=C1/C(=O)N[C@@H](CCO)C1=O	ZINC000169309533	EG	Annotated	Mild	
N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)c(F)c3)o2)cc1F	ZINC000169310164	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)C1=CC(=O)[C@](C)(O)[C@]2(O)CCc1ccoc1	ZINC000169310303	EG	Annotated	Mild	
O=C1CNC(=O)/C1=C(\NCc1ccccc1)c1cccc2ccccc12	ZINC000169310884	EG	Annotated	Mild	
c1ccc(OCCO/N=C2\c3ccccc3OC[C@H]2n2ccnc2)cc1	ZINC000169311207	EG	Annotated	Mild	
c1ccc(OCCO/N=C2\c3ccccc3OC[C@@H]2n2ccnc2)cc1	ZINC000169311208	EG	Annotated	Mild	
O=C(c1ccccc1)c1ccn(-c2ccc(/C=N/O)c([N+](=O)[O-])c2)c1	ZINC000169311962	EG	Annotated	Mild	
O=C(c1ccccc1)c1ccn(-c2ccc([N+](=O)[O-])c(/C=N/O)c2)c1	ZINC000169311963	EG	Annotated	Mild	
NC[C@H]1CN(c2ccc(F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F	ZINC000169312400	EG	Annotated	Anodyne	
COc1ccc(N2C[C@H](CN)[C@@H](c3cc(F)ccc3F)CC2=O)cc1	ZINC000169312404	EG	Annotated	Anodyne	
NC[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F	ZINC000169312410	EG	Annotated	Anodyne	
NC[C@H]1CN(CCc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F	ZINC000169312415	EG	Annotated	Anodyne	
C=C1CC/C=C(/C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2	ZINC000169312946	EG	Annotated	Mild	
CCC(=O)N[C@H](C1=C(O)[C@@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1	ZINC000169313009	EG	Annotated	Anodyne	
CCC(=O)N[C@@H](C1=C(O)[C@@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1	ZINC000169313010	EG	Annotated	Anodyne	
CCC(=O)N[C@H](C1=C(O)[C@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1	ZINC000169313012	EG	Annotated	Anodyne	
CCC(=O)N[C@@H](C1=C(O)[C@H]2NCCC[C@@H]2C(Cl)=C1)c1ccco1	ZINC000169313013	EG	Annotated	Anodyne	
N=c1c2cc(-c3ccccc3)n(-c3ccccc3)c2[nH]c(=S)n1N	ZINC000169313060	EG	Annotated	Anodyne	
CC(C)N(Cc1ccccc1)C(=O)Nc1cnc2ccccn2c1=O	ZINC000169313100	EG	Annotated	Anodyne	
C=C1CC/C=C(/C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2	ZINC000169313110	EG	Annotated	Mild	
O=C(O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1	ZINC000169314518	EG	Annotated	Anodyne	
COC(=O)c1cc(=O)c2cc(Cl)cc(C(=O)c3ccccc3)c2[nH]1	ZINC000169314544	EG	Annotated	Anodyne	
COC(=O)N1CC[C@@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@@H]21	ZINC000169314745	EG	Annotated	Mild	
COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@@H]21	ZINC000169314747	EG	Annotated	Mild	
C/C(=N/NC(=S)N1CC=C(c2ccccc2)CC1)c1ccccn1	ZINC000169314811	EG	Annotated	Mild	
CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3c(O)c2-c2ccccc21	ZINC000169316390	EG	Annotated	Anodyne	
CN1CC[C@]23C[C@@H](CBr)O[C@]2(C)[C@H]1Cc1ccccc13	ZINC000169316858	EG	Annotated	Reactive	
CN1CC[C@]23C[C@H](CBr)O[C@]2(C)[C@H]1Cc1ccccc13	ZINC000169316859	EG	Annotated	Reactive	
CN(C)/N=N\c1ccnc2cc(I)ccc12	ZINC000169317466	EG	Annotated	Clean	
c1cc2sc(-c3ccc(C4=NCCN4)cc3)cc2cc1C1=NCNC1	ZINC000169318155	EG	Annotated	Anodyne	
CC(C)=CCC(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000169318393	EG	Annotated	Anodyne	
CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000169318395	EG	Annotated	Anodyne	
CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000169318396	EG	Annotated	Anodyne	
CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000169318399	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(F)cc4)c3=O)nc2c1	ZINC000169320283	EG	Annotated	Anodyne	
C1C2CC3CC1CC(C2)C31OOC2(CCC(NC3CC3)CC2)OO1	ZINC000169321475	EG	Annotated	Reactive	
O=S(=O)(c1ccccc1)n1c(CCCCl)cc2cccnc21	ZINC000169321965	EG	Annotated	Reactive	
N#CCCCc1cc2cccnc2n1S(=O)(=O)c1ccccc1	ZINC000169321967	EG	Annotated	Mild	
CC(C)[S@@](=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	ZINC000169322565	EG	Annotated	Bother	
CC(C)[S@](=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	ZINC000169322567	EG	Annotated	Bother	
CN(C)[C@@H](c1cccc(OCc2ccccc2)c1)C1COCOC1	ZINC000169322981	EG	Annotated	Anodyne	
CN(C)[C@H](c1cccc(OCc2ccccc2)c1)C1COCOC1	ZINC000169322983	EG	Annotated	Anodyne	
CC(C)C1=C[C@@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000169324233	EG	Annotated	Mild	
CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000169324236	EG	Annotated	Mild	
CC(C)C1=C[C@@H]2C[C@]3(C#N)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000169324239	EG	Annotated	Mild	
CC(C)C1=C[C@H]2C[C@]3(C#N)[C@H]4CC[C@@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000169324241	EG	Annotated	Mild	
CN(C)CCCN1C(=O)/C(=C/c2cccs2)Oc2ccccc21	ZINC000169324448	EG	Annotated	Anodyne	
CNC(=O)C1CCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)CC1	ZINC000169324732	EG	Annotated	Anodyne	
Cc1ccccc1-c1ccc(N2CCOc3ncnc(N)c3C2=O)cc1	ZINC000169324838	EG	Annotated	Anodyne	
CN/C(C)=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\C)NC)cc1C2=O	ZINC000169324863	EG	Annotated	Mild	
CCc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1	ZINC000169325260	EG	Annotated	Anodyne	
Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cccc(C(F)(F)F)c1	ZINC000169325510	EG	Annotated	Clean	
Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccc(Cl)cc1Cl	ZINC000169325516	EG	Annotated	Clean	
O=C(/C=C/c1cc2c(cc1Cl)OCO2)NC1=C(C(=O)O)CCCC1	ZINC000169325593	EG	Annotated	Anodyne	
Cc1c(-c2cc(O)n(-c3ccccc3)c2O)[nH]n(-c2ccccc2)c1=O	ZINC000169325756	EG	Annotated	Anodyne	
Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1ccccc1C(F)(F)F	ZINC000169325775	EG	Annotated	Clean	
CN(C)CCN1N=C(c2ccccc2)CC2=C1CC(C)(C)CC2=O	ZINC000169325855	EG	Annotated	Mild	
Cc1nn(C)c2nc3c(Cl)cccc3c(NCCCN(C)C)c12	ZINC000169325927	EG	Annotated	Anodyne	
O=C(SCc1ccco1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000169326183	EG	Annotated	Bother	
CC1(C)CN(O)C(=O)c2ncc3c(ccn3Cc3ccc(F)cc3)c21	ZINC000169326999	EG	Annotated	Clean	
Cc1cc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2cc1C	ZINC000169327305	EG	Annotated	Anodyne	
CO[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000169327524	EG	Annotated	Anodyne	
CO[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000169327525	EG	Annotated	Anodyne	
CO[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000169327526	EG	Annotated	Anodyne	
CO[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000169327527	EG	Annotated	Anodyne	
CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@@H](c3ccccc3)[C@@H]2C1	ZINC000169328026	EG	Annotated	Anodyne	
CCN(C(=O)c1ccc2c(c1)c1c(c(=O)n2C)CCCCC1)C1CC1	ZINC000169328910	EG	Annotated	Anodyne	
CCN(CC)CCN1N=C(c2ccccc2)CC2=C1CCCC2=O	ZINC000169329073	EG	Annotated	Mild	
Cc1ccc2c(NCCCN(C)C)c3c(C)nn(C)c3nc2c1C	ZINC000169329116	EG	Annotated	Anodyne	
Cn1cc2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2n1	ZINC000169329465	EG	Annotated	Bother	
O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@@H]2O[C@@H]12	ZINC000169329582	EG	Annotated	Clean	
O=C1c2c(OCc3ccc(C(F)(F)F)cc3)cccc2C(=O)[C@@H]2O[C@H]12	ZINC000169329583	EG	Annotated	Clean	
O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@@H]2O[C@H]12	ZINC000169329587	EG	Annotated	Clean	
O=C1c2cccc(OCc3ccc(C(F)(F)F)cc3)c2C(=O)[C@H]2O[C@H]12	ZINC000169329589	EG	Annotated	Clean	
CCNc1ccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1	ZINC000169329676	EG	Annotated	Anodyne	
COc1ccc(Cc2c(C)[nH]n(-c3nc4cc(C)ccc4[nH]3)c2=O)cc1	ZINC000169330592	EG	Annotated	Anodyne	
O=C(NCC(c1ccccc1)c1ccccc1)c1cccc(CO)c1O	ZINC000169330885	EG	Annotated	Anodyne	
O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(CO)cc1O	ZINC000169330886	EG	Annotated	Anodyne	
Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3CC(=O)OC1(C)C	ZINC000169330931	EG	Annotated	Anodyne	
Cc1nn(C)c2nc3c(ccc4ncccc43)c(NCCCN(C)C)c12	ZINC000169331230	EG	Annotated	Bother	
F[C@H]1CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000169331283	EG	Annotated	Anodyne	
F[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000169331284	EG	Annotated	Anodyne	
Cc1cc(C)c2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1	ZINC000169331702	EG	Annotated	Anodyne	
CN(C)CCN1N=C(c2ccc(F)cc2)CC2=C1CC(C)(C)CC2=O	ZINC000169331925	EG	Annotated	Mild	
CCc1ccc2nc3c(c(C)nn3C)c(NCCCN(C)C)c2c1	ZINC000169331947	EG	Annotated	Anodyne	
COc1cc2c(cc1Br)C(c1ccccc1)=NCC(=O)N2	ZINC000169332877	EG	Annotated	Anodyne	
CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@@H]2[C@@H]1c1ccccc1	ZINC000169333240	EG	Annotated	Anodyne	
CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@H]2[C@@H]1c1ccccc1	ZINC000169333243	EG	Annotated	Anodyne	
COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1CC(C)C)[C@@H]23	ZINC000169333570	EG	Annotated	Anodyne	
OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccco1)[C@@H]23	ZINC000169333639	EG	Annotated	Anodyne	
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000169334785	EG	Annotated	Mild	 
C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000169334787	EG	Annotated	Mild	
C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000169334789	EG	Annotated	Mild	
CC(C)c1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2C	ZINC000169335520	EG	Annotated	Anodyne	
CCCCc1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2	ZINC000169335523	EG	Annotated	Anodyne	
CCCCc1nn(C)c2c1C(c1ccccc1Cl)=NCC(=O)N2C	ZINC000169335525	EG	Annotated	Anodyne	
C=CCN1C(=O)CN=C(c2ccccc2Cl)c2c(C)nn(CC)c21	ZINC000169335545	EG	Annotated	Mild	
CCCn1nc(C)c2c1N(C)C(=O)CN=C2c1ccccc1Cl	ZINC000169335549	EG	Annotated	Anodyne	
CCCCn1nc(C)c2c1N(C)C(=O)CN=C2c1ccccc1Cl	ZINC000169335554	EG	Annotated	Anodyne	
CCCCn1nc(C)c2c1NC(=O)CN=C2c1cccc(Cl)c1	ZINC000169335555	EG	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccccc3)cc12	ZINC000169336032	EG	Annotated	Anodyne	
O=c1oc2cccc(OCCCc3ccccc3)c2c(O)c1[N+](=O)[O-]	ZINC000169337544	EG	Annotated	Bother	
COC(=O)C1=C2CCCO[C@@H]2[C@@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C	ZINC000169337740	EG	Annotated	Anodyne	
COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C	ZINC000169337742	EG	Annotated	Anodyne	
COC(=O)C1=C2CCCO[C@@H]2[C@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C	ZINC000169337744	EG	Annotated	Anodyne	
O=C1CS/C(=N\N=C\c2ccc([N+](=O)[O-])s2)N1c1ccccc1	ZINC000169338284	EG	Annotated	Mild	
CN[C@@H]1CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O[C@@H]1OC	ZINC000169339128	EG	Annotated	Anodyne	
CN[C@@H]1CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O[C@@H]1OC	ZINC000169339132	EG	Annotated	Anodyne	
[O-]/[N+](=C\c1cn(-c2ccc(C(F)(F)F)cc2)nn1)Cc1ccccc1	ZINC000169339640	EG	Annotated	Mild	
N#Cc1c(N2CCOCC2)c2ccccc2n2c1nc1ccccc12	ZINC000169339761	EG	Annotated	Mild	
CC1=C2[C@@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000169339825	EG	Annotated	Mild	
CC1=C2[C@H](O)[C@@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000169339828	EG	Annotated	Mild	
CC1=C2[C@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000169339830	EG	Annotated	Mild	
O=C(NC1=C(c2ccccc2)C(=O)c2ccccc2C1=O)c1ccco1	ZINC000169339947	EG	Annotated	Mild	
NC1=C(c2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc2C1=O	ZINC000169340149	EG	Annotated	Mild	
CC(=O)C(=Cc1ccc(O[C@@H](C)C(=O)O)c(Cl)c1Cl)C(C)=O	ZINC000169340590	EG	Annotated	Mild	
CC(=O)C(=Cc1ccc(O[C@H](C)C(=O)O)c(Cl)c1Cl)C(C)=O	ZINC000169340591	EG	Annotated	Mild	
CC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCC(=O)O)C(C)=O	ZINC000169340603	EG	Annotated	Mild	
CS(=O)(=O)N(Cc1nc2ccccc2[nH]1)c1ccccc1Cl	ZINC000169340627	EG	Annotated	Anodyne	
CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]32[C@H]1O4	ZINC000169340675	EG	Annotated	Reactive	
CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]32[C@H]1O4	ZINC000169340677	EG	Annotated	Reactive	
O=C(NCc1ccccn1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1	ZINC000169341349	EG	Annotated	Anodyne	 
O=c1oc2cc(Cl)ccc2n1CN1CCCC2(CCOCC2)C1	ZINC000169341737	EG	Annotated	Anodyne	
O=c1oc2ccc(Cl)cc2n1CN1CCCC2(CCOCC2)C1	ZINC000169341738	EG	Annotated	Anodyne	
O=c1oc2cc(Cl)ccc2n1CN(Cc1ccccn1)C1CC1	ZINC000169341751	EG	Annotated	Anodyne	
CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccncc1	ZINC000169342914	EG	Annotated	Mild	
CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1cccnc1	ZINC000169342921	EG	Annotated	Mild	
CCCCCCCCCCS(=O)(=O)O/N=C(\N)c1ccccn1	ZINC000169342924	EG	Annotated	Mild	
CCCc1cc(=O)oc2c(C(=O)O)c(O)c3c(c12)OC(C)(C)C=C3	ZINC000169342932	EG	Annotated	Anodyne	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C\[C@](C)(O)CC/C=C(\CC1)C(=O)O2	ZINC000169343000	EG	Annotated	Anodyne	
CC(C)[C@@]12/C=C/[C@@](C)(O)C/C=C\[C@](C)(O)CC/C=C(\CC1)C(=O)O2	ZINC000169343002	EG	Annotated	Anodyne	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C/[C@](C)(O)CC/C=C(\CC1)C(=O)O2	ZINC000169343004	EG	Annotated	Anodyne	
C=CCSc1cc(C(=O)O)cc(NC=O)c1C(=O)c1ccccc1	ZINC000169343310	EG	Annotated	Mild	
C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12	ZINC000169344469	EG	Annotated	Anodyne	
C[C@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12	ZINC000169344470	EG	Annotated	Anodyne	
C[C@H]1CO[C@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12	ZINC000169344472	EG	Annotated	Anodyne	
NCCN[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccc(Cl)cc1	ZINC000169344998	EG	Annotated	Anodyne	
CCOC[C@@H]1COc2cc3c(=S)c(C(=O)OCC)c[nH]c3cc2O1	ZINC000169345488	EG	Annotated	Anodyne	
CCOC[C@H]1COc2cc3c(=S)c(C(=O)OCC)c[nH]c3cc2O1	ZINC000169345489	EG	Annotated	Anodyne	
Nc1nnc2c3ccccc3nc(-c3ccccc3Br)n12	ZINC000169346619	EG	Annotated	Anodyne	
O=C1O[C@@H](c2ccccc2F)CN1c1ccc2c(c1)CCNCC2	ZINC000169347311	EG	Annotated	Anodyne	
O=C1O[C@H](c2ccccc2F)CN1c1ccc2c(c1)CCNCC2	ZINC000169347312	EG	Annotated	Anodyne	
COc1ccccc1[C@@H]1CN(c2ccc3c(c2)CCNCC3)C(=O)O1	ZINC000169347315	EG	Annotated	Anodyne	
COc1ccccc1[C@H]1CN(c2ccc3c(c2)CCNCC3)C(=O)O1	ZINC000169347316	EG	Annotated	Anodyne	
CC(C)N1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C	ZINC000169347689	EG	Annotated	Reactive	
CCCN1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C	ZINC000169347703	EG	Annotated	Reactive	
CCCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1	ZINC000169348083	EG	Annotated	Bother	
CCCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1	ZINC000169348084	EG	Annotated	Bother	
N/C(=N/O)c1ccc2c(c1)nc(C(Cl)(Cl)Cl)c1cccn12	ZINC000169348651	EG	Annotated	Mild	
COc1ccc(-c2ccc(COc3ncccc3C(N)=O)nc2)c(C)c1	ZINC000169348924	EG	Annotated	Anodyne	
COc1ccc(-c2ccc(COc3ncccc3C(N)=O)cc2)c(C)n1	ZINC000169348947	EG	Annotated	Anodyne	
CC(C)c1cccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1	ZINC000169349250	EG	Annotated	Bother	
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CC)=C\C[C@H]12	ZINC000169349484	EG	Annotated	Mild	
Cc1c2cc[n+](CCOCCN)cc2c(C)c2c1[nH]c1ccccc12	ZINC000169349742	EG	Annotated	Bother	
COC(=O)c1c2cc[n+](CCCN)cc2c(C)c2c1[nH]c1ccccc12	ZINC000169350007	EG	Annotated	Bother	
COc1ccc(-n2cnc(C#N)c2/N=C/c2ccc(O)c(OC)c2)cc1	ZINC000169350314	EG	Annotated	Mild	
N#Cc1ccc(Nc2nccc([C@@H](NO)c3ccc(C#N)cc3)n2)cc1	ZINC000169350556	EG	Annotated	Mild	
N#Cc1ccc(Nc2nccc([C@H](NO)c3ccc(C#N)cc3)n2)cc1	ZINC000169350557	EG	Annotated	Mild	
O=c1nc(Nc2ccc(-c3ccccc3)cc2)c2cccnc2n1O	ZINC000169350741	EG	Annotated	Anodyne	
O=c1nc(NCc2ccc(-c3ccccc3)cc2)c2cccnc2n1O	ZINC000169350742	EG	Annotated	Anodyne	
Nc1nnc(C2CC2)n1C[C@@H](O)c1ccc(C(F)(F)F)cc1Cl	ZINC000169351146	EG	Annotated	Anodyne	
Nc1nnc(C2CC2)n1C[C@H](O)c1ccc(C(F)(F)F)cc1Cl	ZINC000169351148	EG	Annotated	Anodyne	
NC1=Nc2ccccc2CN1C[C@@H](O)c1ccc(Cl)cc1Cl	ZINC000169351152	EG	Annotated	Anodyne	
NC1=Nc2ccccc2CN1C[C@H](O)c1ccc(Cl)cc1Cl	ZINC000169351153	EG	Annotated	Anodyne	
CNC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1	ZINC000169351990	EG	Annotated	Anodyne	
O=c1c2c(-c3ccccc3)cc(-c3cccs3)nc2nc2[nH]ncn12	ZINC000169352767	EG	Annotated	Anodyne	
CCCCCCc1cn(C[C@H]2O[C@H](OCCC(C)C)C=CC2=O)nn1	ZINC000169353700	EG	Annotated	Mild	
COc1ccc(-c2cc(C#N)cc3c(C)c4n(c23)CCNC4=O)cc1	ZINC000169353891	EG	Annotated	Mild	
C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C\[C@@H](O)C1)OC3=O	ZINC000169354348	EG	Annotated	Mild	
C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC/C(C)=C/CC1	ZINC000169354646	EG	Annotated	Anodyne	
C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(O)CC3)[C@@H]2CC/C(C)=C\CC1	ZINC000169354647	EG	Annotated	Anodyne	
C=C1C(=O)[C@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3	ZINC000169354722	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@H]2CC[C@]1(O)C3	ZINC000169354723	EG	Annotated	Mild	
COC[C@@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C\c1ccccc1	ZINC000169354899	EG	Annotated	Anodyne	
COC[C@@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C/c1ccccc1	ZINC000169354900	EG	Annotated	Anodyne	
COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C\c1ccccc1	ZINC000169354901	EG	Annotated	Anodyne	
COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@@H]1/C=C/c1ccccc1	ZINC000169354902	EG	Annotated	Anodyne	
CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C	ZINC000169355123	EG	Annotated	Anodyne	
CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C	ZINC000169355124	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C)[C@@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000169355895	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)[C@@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000169355896	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C)[C@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000169355897	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)[C@H]2C[C@@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000169355898	EG	Annotated	Anodyne	
C/C1=C/C=C(\[C@@](C)(O)CO)C[C@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169361129	EG	Annotated	Anodyne	
C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)C[C@@H]1O	ZINC000169361131	EG	Annotated	Anodyne	
C/C1=C/C=C(/[C@@](C)(O)CO)C[C@H](O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169361133	EG	Annotated	Anodyne	
C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)C[C@@H]1O	ZINC000169361135	EG	Annotated	Anodyne	
C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC/C(C)=C/CC1	ZINC000169361472	EG	Annotated	Anodyne	
C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC1	ZINC000169361473	EG	Annotated	Anodyne	
C/C1=C/[C@H]2OC(=O)[C@@H](CN3CCC(CO)CC3)[C@@H]2CC/C(C)=C\CC1	ZINC000169361474	EG	Annotated	Anodyne	
CC(C)[C@H]1/C=C\[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)Cc2cc(co2)CC1	ZINC000169362536	EG	Annotated	Anodyne	
C[C@]12CN(NC(=O)c3ccc(Cl)cc3)[C@@]3(C#N)C[C@@H]1CC[C@@]23C	ZINC000169365092	EG	Annotated	Mild	 
C/C1=C/C=C(\[C@@](C)(O)CO)CC(=O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169369413	EG	Annotated	Mild	
C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(\[C@@](C)(O)CO)CC1=O	ZINC000169369414	EG	Annotated	Mild	
C/C1=C/C=C(/[C@@](C)(O)CO)CC(=O)/C(C)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169369415	EG	Annotated	Mild	
C/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/[C@@](C)(O)CO)CC1=O	ZINC000169369416	EG	Annotated	Mild	
C/C1=C/C=C(\[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169369417	EG	Annotated	Reactive	
C/C1=C\C=C(/[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169369418	EG	Annotated	Reactive	
C/C1=C/C=C(/[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000169369419	EG	Annotated	Reactive	
C=C1CC(=O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000169370205	EG	Annotated	Mild	
C=C1CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)/C=C(/C)CCC1=O	ZINC000169370545	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O	ZINC000169370693	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O	ZINC000169370694	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(/C)CC/C=C(\C)[C@H]2O	ZINC000169370695	EG	Annotated	Mild	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000169371123	EG	Annotated	Reactive	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4	ZINC000169371124	EG	Annotated	Reactive	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4	ZINC000169371125	EG	Annotated	Reactive	
CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4	ZINC000169371527	EG	Annotated	Reactive	
CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4	ZINC000169371528	EG	Annotated	Reactive	
C[C@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@H](C)O1	ZINC000169373095	EG	Annotated	Mild	
CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000169373429	EG	Annotated	Mild	
CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000169373430	EG	Annotated	Mild	
CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCO)[C@@]13C(=O)O	ZINC000169373431	EG	Annotated	Mild	
CCOC(=O)c1c(N)sc(/N=C/c2ccco2)c1C(=O)OCC	ZINC000169396260	EG	Annotated	Mild	 
CN1CC[C@@]2([C@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12	ZINC000169399929	EG	Annotated	Anodyne	in-man
CC(=O)[C@@H]1[C@H]2CC(=S)N[C@@]1(C)Oc1ccc(Br)cc12	ZINC000169422544	EG	Annotated	Anodyne	 
CC(=O)[C@H]1[C@H]2CC(=S)N[C@@]1(C)Oc1ccc(Br)cc12	ZINC000169422554	EG	Annotated	Anodyne	 
C=C[C@H](CO)[C@H]1CC[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C1	ZINC000169435840	EG	Annotated	Mild	
C=C1C2=C(CC[C@@]13CC=CC1=C3COC1=O)C(=O)O[C@@H]2c1ccoc1	ZINC000169447481	EG	Annotated	Mild	
CC(C)C1=C2CC[C@](C)(OC(=O)[C@]3(C)O[C@@H]3C)C(=O)C[C@@]2(C)CC1=O	ZINC000169455299	EG	Annotated	Mild	
C[C@@H]1C2=CC(=O)O[C@@]2(O)C[C@@H]2[C@@H]1CC[C@@H]1[C@@](C)(C(=O)O)CCC[C@]12C	ZINC000169540736	EG	Annotated	Anodyne	
CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@]2(C)CC1=O)OC[C@@H]4C	ZINC000169541118	EG	Annotated	Mild	
Cc1c2c(cc3c1[C@H]1C=C[C@]14C(=O)OC[C@H]34)C(=O)O[C@H]2c1ccoc1	ZINC000169639966	EG	Annotated	Anodyne	
C1C[C@H]2[C@@H]3SS[C@@H]4[C@H](CN5CCC[C@@H]45)SS[C@H]3CN2C1	ZINC000169641939	EG	Annotated	Reactive	
C=C1C2=CC(=O)[C@@H](C)[C@]1(C)CC[C@]1(C)O[C@H]1CC[C@@]1(C)O[C@@H]1C2=O	ZINC000169642301	EG	Annotated	Mild	
CC1=C2CC[C@H](C)[C@@]23C(=O)O[C@@H]1[C@@]12C(=O)O[C@@H]3C(C)=C1CC[C@@H]2C	ZINC000169643131	EG	Annotated	Anodyne	
C[C@@H](CO)CCC[C@@]1(CO)[C@H]2CC[C@@H](C)[C@H]3CC=C(C(=O)O)[C@@H]1[C@@H]23	ZINC000169643898	EG	Annotated	Anodyne	
CO[C@]1(C)OC(=O)C=C1[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1	ZINC000169645736	EG	Annotated	Reactive	
Cc1cccc2oc(=O)c3c(c12)OC(C)(C)[C@@H]1CC[C@]2(C)O[C@@H]2[C@@]31O	ZINC000169646478	EG	Annotated	Anodyne	
C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO	ZINC000169647100	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@]2(O)C1	ZINC000169651953	EG	Annotated	Anodyne	
C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@@H]3OC(=O)/C(=C/C)[C@@H]3O[C@@]21C	ZINC000169655344	EG	Annotated	Mild	
C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@@H]1O	ZINC000169661766	EG	Annotated	Mild	
COC(=O)C1=C(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC1)[C@@](O)(CO)C4	ZINC000169667563	EG	Annotated	Anodyne	
CC(C)[C@]12CC[C@@]34OC(=O)[C@@]35CCCC(C)(C)[C@@H]5CC[C@]4(O)[C@H]1O2	ZINC000169669011	EG	Annotated	Anodyne	
O=c1n(-c2ccc([N+](=O)[O-])c3ccccc23)c(O)c2n1[C@@H]1CC[C@H]2C1	ZINC000169685706	EG	Annotated	Bother	
CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1	ZINC000169686630	EG	Annotated	Reactive	
OC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O	ZINC000169686665	EG	Annotated	Anodyne	
OC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O	ZINC000169686666	EG	Annotated	Anodyne	
OC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O	ZINC000169686667	EG	Annotated	Anodyne	
OC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccc(-c3ccccc3)cc2)c1O	ZINC000169686668	EG	Annotated	Anodyne	
COc1cccc(C/N=N/c2nn3cnnc3c3ccccc23)c1O	ZINC000169686774	EG	Annotated	Clean	
COc1cc(C/N=N/c2nn3cnnc3c3ccccc23)ccc1O	ZINC000169686775	EG	Annotated	Clean	
Cc1cccc(N2C(=S)[C@@H](C#N)C(=O)N[C@@H]2c2cccs2)c1	ZINC000169686817	EG	Annotated	Mild	
Cc1cccc(N2C(=S)[C@H](C#N)C(=O)N[C@@H]2c2cccs2)c1	ZINC000169686818	EG	Annotated	Mild	
Cc1cccc(N2C(=S)[C@@H](C#N)C(=O)N[C@H]2c2cccs2)c1	ZINC000169686819	EG	Annotated	Mild	
Cc1cccc(N2C(=S)[C@H](C#N)C(=O)N[C@H]2c2cccs2)c1	ZINC000169686820	EG	Annotated	Mild	
Cc1ccc(-n2[nH]c(C)c(/C=N/c3ccc([N+](=O)[O-])cc3)c2=O)cc1	ZINC000169686844	EG	Annotated	Mild	
CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1	ZINC000169686883	EG	Annotated	Reactive	
Cc1ccc([C@@H]2c3c([nH]c(=S)[nH]c3=O)N=C3CCCC(=O)[C@@H]32)cc1	ZINC000169686894	EG	Annotated	Anodyne	
Cc1cc(/N=N/Cc2ccc(O)cc2O)nc(-n2nc(C)cc2C)n1	ZINC000169686952	EG	Annotated	Clean	
CCOc1ccc(C(C)=O)cc1-n1c(O)c2c(c1O)[C@H]1C=C[C@@H]2O1	ZINC000169687121	EG	Annotated	Anodyne	
CCOc1ccc(C(C)=O)cc1-n1c(O)c2c(c1O)[C@H]1C=C[C@H]2O1	ZINC000169687122	EG	Annotated	Anodyne	
CCOc1ccc(C(C)=O)cc1-n1c(O)c2c(c1O)[C@@H]1C=C[C@@H]2O1	ZINC000169687123	EG	Annotated	Anodyne	
OC[C@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O	ZINC000169687124	EG	Annotated	Anodyne	
OC[C@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O	ZINC000169687125	EG	Annotated	Anodyne	
OC[C@@]12C=C[C@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O	ZINC000169687126	EG	Annotated	Anodyne	
OC[C@@]12C=C[C@@H](O1)c1c2c(O)n(-c2ccccc2-c2ccccc2)c1O	ZINC000169687127	EG	Annotated	Anodyne	
O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccco2)[C@@H]1C(=O)c1ccco1	ZINC000169687351	EG	Annotated	Anodyne	
O=C1C(=O)N(Cc2ccccc2)[C@H](c2ccco2)[C@H]1C(=O)c1ccco1	ZINC000169687352	EG	Annotated	Anodyne	
O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccco2)[C@@H]1C(=O)c1ccco1	ZINC000169687353	EG	Annotated	Anodyne	
O=C1C(=O)N(Cc2ccccc2)[C@@H](c2ccco2)[C@H]1C(=O)c1ccco1	ZINC000169687354	EG	Annotated	Anodyne	
N#CC1=C2S[C@@H]3CCCC[C@@]3(O)N2C(=N)[C@@H](C#N)C12CCCCC2	ZINC000169687428	EG	Annotated	Reactive	
N#CC1=C2S[C@H]3CCCC[C@@]3(O)N2C(=N)[C@@H](C#N)C12CCCCC2	ZINC000169687430	EG	Annotated	Reactive	
Cc1[nH]nc2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)[C@@H](C#N)C(=N)O2	ZINC000169687478	EG	Annotated	Mild	
Cc1[nH]nc2c1[C@H](c1ccc(-c3ccccc3C#N)o1)[C@@H](C#N)C(=N)O2	ZINC000169687479	EG	Annotated	Mild	
COc1cc(/N=C/[C@@H]2C(=O)Nc3ccccc32)cc(OC)c1OC	ZINC000169687487	EG	Annotated	Mild	
COc1cc(/N=C/[C@H]2C(=O)Nc3ccccc32)cc(OC)c1OC	ZINC000169687488	EG	Annotated	Mild	
Cc1ccccc1NC(=O)Cc1sc(=O)n(-c2ccccc2)c1O	ZINC000169688036	EG	Annotated	Anodyne	
CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2	ZINC000169688349	EG	Annotated	Anodyne	
CSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)[C@H]1C(=O)CCCC1=N2	ZINC000169688350	EG	Annotated	Anodyne	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccoc2)[C@@H](C#N)C(=N)O3)c1	ZINC000169688358	EG	Annotated	Mild	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccoc2)[C@@H](C#N)C(=N)O3)c1	ZINC000169688359	EG	Annotated	Mild	
CCOc1ccc(C2[C@@H](C#N)C(=N)SC(=N)[C@@H]2C#N)cc1OC	ZINC000169688394	EG	Annotated	Mild	
CC1(C)CC(=O)C2=C(C1)OC(=N)[C-](C#N)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000169688700	EG	Annotated	Mild	
N#C[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2	ZINC000169688949	EG	Annotated	Mild	
N#C[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1cc2c(cc1Cl)OCO2	ZINC000169688950	EG	Annotated	Mild	
CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1ccc2c(c1)OCO2	ZINC000169688958	EG	Annotated	Mild	
CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@@H]2c1ccc2c(c1)OCO2	ZINC000169688959	EG	Annotated	Mild	
O=C1O[C@@H]([C@@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21	ZINC000169689133	EG	Annotated	Mild	
O=C1O[C@H]([C@@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21	ZINC000169689134	EG	Annotated	Mild	
O=C1O[C@@H]([C@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21	ZINC000169689135	EG	Annotated	Mild	
O=C1O[C@H]([C@H](/C=N/c2cc(Cl)ccc2O)[N+](=O)[O-])c2ccccc21	ZINC000169689136	EG	Annotated	Mild	
Cc1ccc(/C(=N/C(=O)N2CCOCC2)C(Cl)Cl)cc1F	ZINC000169689289	EG	Annotated	Reactive	
C[C@@]12CN(NC(=O)c3ccc(Cl)cc3)[C@]3(C#N)C[C@@H]1CC[C@]23C	ZINC000169689398	EG	Annotated	Mild	
COc1cc(-c2nc3c[nH]ccn-3/c2=N\c2ccccc2)ccc1O	ZINC000169689642	EG	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc(/N=N/Cc2ccc(O)cc2)nc1	ZINC000169689649	EG	Annotated	Clean	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)[C@@H](C#N)C(=N)O3)cc1	ZINC000169689697	EG	Annotated	Mild	
Cc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)[C@@H](C#N)C(=N)O3)cc1	ZINC000169689698	EG	Annotated	Mild	
N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1	ZINC000169689699	EG	Annotated	Mild	
N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1	ZINC000169689700	EG	Annotated	Mild	
N#C[C@@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1	ZINC000169689701	EG	Annotated	Mild	
N#C[C@H]1C(=N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1	ZINC000169689702	EG	Annotated	Mild	
O=C(O)c1ccc(/N=N/Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1	ZINC000169689844	EG	Annotated	Clean	
C[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000169689884	EG	Annotated	Clean	
C[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000169689885	EG	Annotated	Clean	
Cc1nnc(/N=N/Cc2cc(C)n(-c3ccc(F)cc3)c2C)n1N	ZINC000169690015	EG	Annotated	Clean	
CN(CCO)c1ccc(C/N=N/c2c(F)c(F)nc(F)c2F)cc1	ZINC000169690378	EG	Annotated	Clean	
CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc23)[C@@H]1C(=O)OC(C)C	ZINC000169690574	EG	Annotated	Anodyne	
CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc23)[C@@H]1C(=O)OC(C)C	ZINC000169690575	EG	Annotated	Anodyne	
CC1=Nc2ncnn2[C@@H](c2c[nH]c3ccccc23)[C@H]1C(=O)OC(C)C	ZINC000169690576	EG	Annotated	Anodyne	
CC1=Nc2ncnn2[C@H](c2c[nH]c3ccccc23)[C@H]1C(=O)OC(C)C	ZINC000169690577	EG	Annotated	Anodyne	
CCCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1cccs1	ZINC000169690601	EG	Annotated	Anodyne	
CCCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1cccs1	ZINC000169690602	EG	Annotated	Anodyne	
CCCCCOC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1cccs1	ZINC000169690603	EG	Annotated	Anodyne	
CCCCCOC(=O)[C@H]1C(C)=Nc2ncnn2[C@H]1c1cccs1	ZINC000169690604	EG	Annotated	Anodyne	
CCCC1=Nc2ncnn2[C@@H](c2sccc2C)[C@@H]1C(=O)OCC	ZINC000169690784	EG	Annotated	Anodyne	
CCCC1=Nc2ncnn2[C@H](c2sccc2C)[C@@H]1C(=O)OCC	ZINC000169690786	EG	Annotated	Anodyne	
CCCC1=Nc2ncnn2[C@@H](c2sccc2C)[C@H]1C(=O)OCC	ZINC000169690788	EG	Annotated	Anodyne	
CCCC1=Nc2ncnn2[C@H](c2sccc2C)[C@H]1C(=O)OCC	ZINC000169690790	EG	Annotated	Anodyne	
O=C(O)Cn1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c2ccccc21	ZINC000169690812	EG	Annotated	Clean	
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccncc2)[C@@H](C#N)C(=N)O3)cc1	ZINC000169690838	EG	Annotated	Mild	
COc1ccc(-c2n[nH]c3c2[C@H](c2ccncc2)[C@@H](C#N)C(=N)O3)cc1	ZINC000169690839	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@@H](c1cc(OC)cc(OC)c1)[C@@H](C#N)C(=N)O2	ZINC000169690852	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@H](c1cc(OC)cc(OC)c1)[C@@H](C#N)C(=N)O2	ZINC000169690853	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@@H](c1ccc(OC)cc1OC)[C@@H](C#N)C(=N)O2	ZINC000169690873	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@H](c1ccc(OC)cc1OC)[C@@H](C#N)C(=N)O2	ZINC000169690874	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@@H](c1ccc(O)cc1OCC)[C@@H](C#N)C(=N)O2	ZINC000169691019	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@H](c1ccc(O)cc1OCC)[C@@H](C#N)C(=N)O2	ZINC000169691020	EG	Annotated	Mild	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)[C@@H](C#N)C(=N)O2	ZINC000169691063	EG	Annotated	Mild	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)[C@@H](C#N)C(=N)O2	ZINC000169691064	EG	Annotated	Mild	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccco1)[C@@H](C#N)C(=N)O2	ZINC000169691068	EG	Annotated	Mild	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccco1)[C@@H](C#N)C(=N)O2	ZINC000169691069	EG	Annotated	Mild	
Cc1[nH]nc2c1[C@@H](c1cc(Br)cs1)[C@@H](C#N)C(=N)O2	ZINC000169691085	EG	Annotated	Mild	
Cc1[nH]nc2c1[C@H](c1cc(Br)cs1)[C@@H](C#N)C(=N)O2	ZINC000169691086	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@@H](c1cc(OC)ccc1F)[C@@H](C#N)C(=N)O2	ZINC000169691121	EG	Annotated	Mild	
CCCc1[nH]nc2c1[C@H](c1cc(OC)ccc1F)[C@@H](C#N)C(=N)O2	ZINC000169691122	EG	Annotated	Mild	
CCOC(=O)[C@@H]1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1	ZINC000169691129	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccncc1	ZINC000169691130	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1	ZINC000169691131	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccncc1	ZINC000169691132	EG	Annotated	Anodyne	
Cc1nn(C(=O)[C@@H](C#N)/N=N/c2ccccc2[N+](=O)[O-])c(C)c1C	ZINC000169691244	EG	Annotated	Mild	
Cc1nn(C(=O)[C@H](C#N)/N=N/c2ccccc2[N+](=O)[O-])c(C)c1C	ZINC000169691245	EG	Annotated	Mild	
CCNc1nc(/N=N/Cc2ccc(N(C)C)cc2)nc(NCC)n1	ZINC000169691371	EG	Annotated	Clean	
CCOC(=O)[C@@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1sccc1C	ZINC000169691547	EG	Annotated	Mild	
CCOC(=O)[C@H]1C(=N)OC2=C(C(=O)CCC2)[C@@H]1c1sccc1C	ZINC000169691548	EG	Annotated	Mild	
COc1cccc(C/N=N/c2nc3ccccc3n3cnnc23)c1O	ZINC000169691987	EG	Annotated	Clean	
C[C@@H]1CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1coc2ccccc2c1=O	ZINC000169692310	EG	Annotated	Mild	
C[C@H]1CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1coc2ccccc2c1=O	ZINC000169692311	EG	Annotated	Mild	
O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\C/C=N/c1ccccc1	ZINC000169692322	EG	Annotated	Mild	
O=C(O)CSc1cc(O)n(-c2ccc(Cl)c(Cl)c2)c1O	ZINC000169693076	EG	Annotated	Anodyne	
Cc1ccc(NC(=O)Cc2sc(=O)n(-c3ccccc3)c2O)cc1	ZINC000169693087	EG	Annotated	Anodyne	
COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1/C=C/c1ccccc1	ZINC000169693253	EG	Annotated	Anodyne	
COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1/C=C/c1ccccc1	ZINC000169693254	EG	Annotated	Anodyne	
Nc1ccccc1Sc1cc(O)n(-c2ccc3c(c2)OCO3)c1O	ZINC000169693304	EG	Annotated	Anodyne	
COc1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)cc1	ZINC000169693320	EG	Annotated	Bother	
CC(C)C[C@H]1NC(=O)[C@@H](SCc2cccc(C(F)(F)F)c2)C1=O	ZINC000169693666	EG	Annotated	Anodyne	
CC(C)C[C@@H]1NC(=O)[C@H](SCc2cccc(C(F)(F)F)c2)C1=O	ZINC000169693667	EG	Annotated	Anodyne	
CC(C)C[C@H]1NC(=O)[C@H](SCc2cccc(C(F)(F)F)c2)C1=O	ZINC000169693668	EG	Annotated	Anodyne	
C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3	ZINC000169693746	EG	Annotated	Mild	
C=C1C(=O)[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@]1(O)C3	ZINC000169693747	EG	Annotated	Mild	
C[C-](CCC(C)C)/N=N/c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000169693882	EG	Annotated	Clean	
COc1ccc(/C(CCc2ccccc2)=N/N=C/SN)c(O)c1	ZINC000169696996	EG	Annotated	Mild	
[C-]#[N+][C@@H]1C(C)=NC(C(F)F)=C(C#N)[C@@H]1c1cc2c(N)nccc2o1	ZINC000169698721	EG	Annotated	Reactive	
[C-]#[N+][C@H]1C(C)=NC(C(F)F)=C(C#N)[C@@H]1c1cc2c(N)nccc2o1	ZINC000169698722	EG	Annotated	Reactive	
[C-]#[N+][C@@H]1C(C)=NC(C(F)F)=C(C#N)[C@H]1c1cc2c(N)nccc2o1	ZINC000169698723	EG	Annotated	Reactive	
[C-]#[N+][C@H]1C(C)=NC(C(F)F)=C(C#N)[C@H]1c1cc2c(N)nccc2o1	ZINC000169698724	EG	Annotated	Reactive	
COc1ccc(O)c(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c1	ZINC000169699094	EG	Annotated	Anodyne	
O=C(Nc1cc2ccc(O[C@H]3CCCC[C@H]3O)cc2cn1)C1CC1	ZINC000169700041	EG	Annotated	Anodyne	
O=C(Nc1cc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2cn1)C1CC1	ZINC000169700042	EG	Annotated	Anodyne	
Cc1ccncc1-c1ccc2cc(NC(=O)C3[C@H]4COC[C@@H]34)ncc2c1	ZINC000169700044	EG	Annotated	Anodyne	
Cc1ccncc1-c1ccc2cc(NC(=O)C3[C@H]4COC[C@H]34)ncc2c1	ZINC000169700045	EG	Annotated	Anodyne	
Cc1ccncc1-c1ccc2cc(NC(=O)C3[C@@H]4COC[C@@H]34)ncc2c1	ZINC000169700046	EG	Annotated	Anodyne	
Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c[n+]1[O-]	ZINC000169700078	EG	Annotated	Anodyne	
C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1	ZINC000169700140	EG	Annotated	Anodyne	
C[C@@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1	ZINC000169700141	EG	Annotated	Anodyne	
C[C@H]1CCC(=O)N1c1ccc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c1	ZINC000169700142	EG	Annotated	Anodyne	
NS(=O)(=O)c1ccc(/N=N/C=C/[CH-]c2ccccc2[N+](=O)[O-])cc1	ZINC000169700574	EG	Annotated	Clean	
[N-]=[N+]=NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1	ZINC000169700708	EG	Annotated	Clean	
CC(C)(C)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1	ZINC000169701191	EG	Annotated	Anodyne	
NC1=N[C@@H](CCc2ccc(Nc3ncc(C4CCC4)cn3)cc2)CO1	ZINC000169701194	EG	Annotated	Anodyne	
[C-]#[N+][C@@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(C)c2c1	ZINC000169703261	EG	Annotated	Reactive	
[C-]#[N+][C@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(C)c2c1	ZINC000169703262	EG	Annotated	Reactive	
[C-]#[N+][C@@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(C)c2c1	ZINC000169703263	EG	Annotated	Reactive	
[C-]#[N+][C@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(C)c2c1	ZINC000169703264	EG	Annotated	Reactive	
Cc1ccc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12	ZINC000169704370	EG	Annotated	Anodyne	
Cc1ncc(C)n2nc(/C=C/c3cn4c(n3)-c3ccccc3C4)nc12	ZINC000169704372	EG	Annotated	Anodyne	
Cc1cc(C)n2nc(SCc3cn4c(n3)-c3ccccc3C4)nc2n1	ZINC000169704388	EG	Annotated	Anodyne	
NC(=O)Nc1cccc(-c2cnc3cc(-c4nncs4)ccn23)c1	ZINC000169704713	EG	Annotated	Anodyne	
Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3n[nH]c(C)c23)cc1	ZINC000169705963	EG	Annotated	Anodyne	
Cc1cc2n[nH]cc2c(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)cc2)n1	ZINC000169705964	EG	Annotated	Anodyne	
Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1cc(=O)[nH]nc1C	ZINC000169705977	EG	Annotated	Anodyne	
Cc1cc(Oc2nccc3n[nH]cc23)ccc1-c1cn[nH]c(=O)c1C	ZINC000169705982	EG	Annotated	Anodyne	
C[C@@H](Cc1ccc(C#Cc2ccc3c(c2)CCO3)cc1)NC(=O)C1CC1	ZINC000169706162	EG	Annotated	Mild	
C[C@H](Cc1ccc(C#Cc2ccc3c(c2)CCO3)cc1)NC(=O)C1CC1	ZINC000169706163	EG	Annotated	Mild	
CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc3c(c2)CCC3=O)cc1	ZINC000169706190	EG	Annotated	Mild	
CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc3c(c2)CCC3=O)cc1	ZINC000169706191	EG	Annotated	Mild	
CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnn(-c3ccccc3)c2)cc1	ZINC000169706194	EG	Annotated	Mild	
CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnn(-c3ccccc3)c2)cc1	ZINC000169706195	EG	Annotated	Mild	
CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)CC#N)cc2)cc1	ZINC000169706238	EG	Annotated	Mild	
CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)CC#N)cc2)cc1	ZINC000169706239	EG	Annotated	Mild	
CC(=O)NC[C@@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1	ZINC000169706477	EG	Annotated	Mild	
CC(=O)NC[C@H](C)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1	ZINC000169706478	EG	Annotated	Mild	
CC1=N[C@@]2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N	ZINC000169708511	EG	Annotated	Anodyne	
CC1=N[C@]2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N	ZINC000169708512	EG	Annotated	Anodyne	
COc1ccc(F)cc1-c1ccc2c(c1)[C@@]1(CCO2)N=C(C)C(N)=N1	ZINC000169708871	EG	Annotated	Anodyne	
COc1ccc(F)cc1-c1ccc2c(c1)[C@]1(CCO2)N=C(C)C(N)=N1	ZINC000169708872	EG	Annotated	Anodyne	
COc1ccc(C)cc1-c1ccc2c(c1)[C@@]1(CCO2)N=C(C)C(N)=N1	ZINC000169708875	EG	Annotated	Anodyne	
COc1ccc(C)cc1-c1ccc2c(c1)[C@]1(CCO2)N=C(C)C(N)=N1	ZINC000169708876	EG	Annotated	Anodyne	
O=C1N=Nc2nc(CNCCc3ccccc3F)nc3cccc1c23	ZINC000169710156	EG	Annotated	Anodyne	
O=C1N=Nc2nc(CN3CCc4ccccc4C3)nc3cccc1c23	ZINC000169710169	EG	Annotated	Anodyne	
CC[N+](C)(CC)CCS[C@@H](N=O)C(=O)c1ccc(OC)cc1	ZINC000169713386	EG	Annotated	Bother	
CC[N+](C)(CC)CCS[C@H](N=O)C(=O)c1ccc(OC)cc1	ZINC000169713387	EG	Annotated	Bother	
CN(C)CCS[C@@H](N=O)C(=O)c1ccc(Br)cc1	ZINC000169713388	EG	Annotated	Anodyne	
CN(C)CCS[C@H](N=O)C(=O)c1ccc(Br)cc1	ZINC000169713389	EG	Annotated	Anodyne	
CN(C)CCCS[C@@H](N=O)C(=O)c1ccc(Br)cc1	ZINC000169713402	EG	Annotated	Anodyne	
CN(C)CCCS[C@H](N=O)C(=O)c1ccc(Br)cc1	ZINC000169713403	EG	Annotated	Anodyne	
C[N+](C)(C)CCS[C@@H](N=O)C(=O)c1ccc(Br)cc1	ZINC000169713416	EG	Annotated	Bother	
C[N+](C)(C)CCS[C@H](N=O)C(=O)c1ccc(Br)cc1	ZINC000169713417	EG	Annotated	Bother	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3cc(=O)ccc-3c(O)c12	ZINC000169713976	EG	Annotated	Bother	
O=C1C(=O)C(c2csc3ccccc23)C(=O)C(=O)C1c1ccccc1	ZINC000169716549	EG	Annotated	Clean	
O=C(O)C/C=C/c1c(CCCC(=O)O)c(O)c2ccccc2c1O	ZINC000169716759	EG	Annotated	Anodyne	
CCC/C(=N\OCC)C1C(=O)CC([C@@H]2CCCSC2)CC1=O	ZINC000169717740	EG	Annotated	Mild	
CCC/C(=N\OCC)C1C(=O)CC([C@H]2CCCSC2)CC1=O	ZINC000169717741	EG	Annotated	Mild	
CN1CCN(C2=Cn3c(CN=O)ccc3Sc3ccccc32)CC1	ZINC000169717912	EG	Annotated	Anodyne	
Cc1c(/C=C/CCc2nnnn2CCC#N)c(O)c2ccccc2c1O	ZINC000169718433	EG	Annotated	Mild	
COc1ccc(N(CC2CCCC2)C(=O)Nc2nc(O)cs2)cn1	ZINC000169718710	EG	Annotated	Anodyne	
N#CC1=C(N)[C@H]2[C@@H](c3ccccc3)c3ccc(O)cc3O[C@@H]2CC1=N	ZINC000169718733	EG	Annotated	Reactive	
CCOC(=O)[C@H](c1ccnc(Cl)n1)c1nc2ccccc2s1	ZINC000169718875	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](c1ccnc(Cl)n1)c1nc2ccccc2s1	ZINC000169718876	EG	Annotated	Anodyne	
N#C[C@@H](c1nc2ccccc2[nH]1)c1nc(Cl)ncc1Br	ZINC000169718881	EG	Annotated	Mild	
N#C[C@H](c1nc2ccccc2[nH]1)c1nc(Cl)ncc1Br	ZINC000169718882	EG	Annotated	Mild	
Oc1c2n(c(=S)n1CCN1CCCCC1)Cc1ccccc1C2	ZINC000169718941	EG	Annotated	Anodyne	
O=S1(=O)NC(O)=CN1c1csc(-c2ccccc2)c1Cl	ZINC000169719926	EG	Annotated	Anodyne	
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=[N+](C)[O-]	ZINC000169720120	EG	Annotated	Mild	
CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@@H](C)C(=O)C3(C)C	ZINC000169720416	EG	Annotated	Anodyne	
CC(=O)Oc1ccc2c(c1)c1c(O)oc(=O)nc1n2C1CCCCC1	ZINC000169721499	EG	Annotated	Anodyne	
CC[C@]12CCCN3CC[C@]4(C(=Nc5ccccc54)[C@@H](C(=O)OC)C1)[C@@H]32	ZINC000169721848	EG	Annotated	Anodyne	
CC[C@]12CCCN3CC[C@]4(C(=Nc5ccccc54)[C@H](C(=O)OC)C1)[C@@H]32	ZINC000169721849	EG	Annotated	Anodyne	
O=NCc1cccc[n+]1CCCCCCC[n+]1ccccc1CN=O	ZINC000169721865	EG	Annotated	Anodyne	
O=c1c(O)ccc2oc(CNCc3ccc(Cl)cc3)cc(O)c1-2	ZINC000169722149	EG	Annotated	Anodyne	
O=c1c(O)ccc2oc(CNCc3cccc(Cl)c3)cc(O)c1-2	ZINC000169722150	EG	Annotated	Anodyne	
COc1ccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)cc1	ZINC000169723223	EG	Annotated	Clean	
COc1cccc(-c2[nH][nH]c(=O)c2/N=N/c2ccc(C(=O)O)cc2)c1	ZINC000169723232	EG	Annotated	Clean	
COc1ccccc1/N=N/c1c(-c2cnccc2OC)[nH][nH]c1=O	ZINC000169723250	EG	Annotated	Clean	
COc1cccc(/N=N/c2c(-c3cnccc3OC)[nH][nH]c2=O)c1	ZINC000169723251	EG	Annotated	Clean	
O=Nc1c(-[c-]2c(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH]c2ccc(O)cc12	ZINC000169723354	EG	Annotated	Bother	
CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@]1(C)c1ccccc1	ZINC000169723398	EG	Annotated	Anodyne	
CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@]1(C)c1ccccc1	ZINC000169723399	EG	Annotated	Anodyne	
CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@]1(C)c1ccccc1	ZINC000169723400	EG	Annotated	Anodyne	
CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@]1(C)c1ccccc1	ZINC000169723401	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F	ZINC000169723669	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1F	ZINC000169723670	EG	Annotated	Anodyne	
N#C[C@@H]1C(=N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000169724147	EG	Annotated	Mild	
N#C[C@H]1C(=N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000169724148	EG	Annotated	Mild	
N#C[C@@H]1C(=N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000169724149	EG	Annotated	Mild	
N#C[C@H]1C(=N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000169724150	EG	Annotated	Mild	
COc1cc2c(cc1OC)-c1cc3cc(=O)c(OC)cc-3cn1CC2	ZINC000169724155	EG	Annotated	Anodyne	
O=CCNc1c(Cl)c(O)n(-c2ccc(Cl)c(Cl)c2)c1O	ZINC000169724227	EG	Annotated	Mild	
Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3ncccn3)cccc12	ZINC000169724331	EG	Annotated	Anodyne	
Nc1c2c(=O)n(C3CCC3)cc-2[nH]c2c(-c3cncnc3)cccc12	ZINC000169724332	EG	Annotated	Anodyne	
CC(C)CCNC(=O)[C@H](CC(C)C)/N=C/[C@@H]1C(=O)Nc2ccccc21	ZINC000169724599	EG	Annotated	Mild	
CC(C)CCNC(=O)[C@H](CC(C)C)/N=C/[C@H]1C(=O)Nc2ccccc21	ZINC000169724600	EG	Annotated	Mild	
C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2c(N)ccc3ncsc23)c1O	ZINC000169727149	EG	Annotated	Anodyne	
C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2c(N)ccc3ncsc23)c1O	ZINC000169727150	EG	Annotated	Anodyne	
C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2c(N)ccc3ncsc23)c1O	ZINC000169727151	EG	Annotated	Anodyne	
C[C@@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O	ZINC000169727155	EG	Annotated	Mild	
C[C@]12CC[C@@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O	ZINC000169727156	EG	Annotated	Mild	
C[C@@]12CC[C@](C)(O1)c1c2c(O)n(-c2cnc(C#N)c(Cl)c2)c1O	ZINC000169727157	EG	Annotated	Mild	
Cc1onc(C(=O)O)c1[C@@H](C)/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000169727560	EG	Annotated	Clean	
Cc1onc(C(=O)O)c1[C@H](C)/N=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000169727561	EG	Annotated	Clean	
N#C[C@@H]1C(=N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000169728027	EG	Annotated	Mild	
N#C[C@H]1C(=N)OC2=C(C(=O)CN(c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000169728028	EG	Annotated	Mild	
Cc1cc(=O)n2[nH]c(SCc3cc(Cl)ccc3Cl)nc2n1	ZINC000169728245	EG	Annotated	Anodyne	
Cc1cc(=O)n2[nH]c(SCc3c(Cl)cccc3Cl)nc2n1	ZINC000169728246	EG	Annotated	Anodyne	
Cc1cc(=O)n2[nH]c(SCc3ccc(Cl)c(Cl)c3)nc2n1	ZINC000169728247	EG	Annotated	Anodyne	
CC(C)Oc1ccc(Cc2ccccc2)cc1C(=O)[CH-]C(=O)C(=O)O	ZINC000169728846	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C)cc-4[nH]c23)c1	ZINC000169729119	EG	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c([C@H]3C(=O)Nc4ccccc43)c(N=O)c2c1	ZINC000169729482	EG	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c([C@@H]3C(=O)Nc4ccccc43)c(N=O)c2c1	ZINC000169729483	EG	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3)CNC[C@@H]2[C@@H](c2ccccc2)N1	ZINC000169729979	EG	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3)CNC[C@H]2[C@@H](c2ccccc2)N1	ZINC000169729980	EG	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3)CNC[C@@H]2[C@H](c2ccccc2)N1	ZINC000169729981	EG	Annotated	Anodyne	
S=C1N=C2/C(=C/c3ccccc3)CNC[C@H]2[C@H](c2ccccc2)N1	ZINC000169729982	EG	Annotated	Anodyne	
CC1(C)Cc2c(nn(-c3cccc(C(F)(F)F)c3)c(=N)c2C#N)CO1	ZINC000169730333	EG	Annotated	Mild	
CC1(C)Cc2c(nn(-c3ccccc3C(F)(F)F)c(=N)c2C#N)CO1	ZINC000169730334	EG	Annotated	Mild	
CCCCc1ccccc1-n1nc2c(c(C#N)c1=N)CC(C)(C)OC2	ZINC000169730354	EG	Annotated	Mild	
CCCCc1ccc(-n2nc3c(c(C#N)c2=N)CC(C)(C)OC3)cc1	ZINC000169730355	EG	Annotated	Mild	
CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(C)cc1	ZINC000169730688	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(C)cc1	ZINC000169730689	EG	Annotated	Anodyne	
CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12	ZINC000169773186	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12	ZINC000169773190	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)NN=C2CC(C)(C)CC(=O)C2(C)C)cc1	ZINC000017020022	EG	Annotated	Anodyne	 
CC(C)C1=CC2=C(C(=O)C1=O)[C@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O	ZINC000017105126	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000017109001	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@@H](C)C[C@@H](O)C[C@@H]2[C@@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000017109003	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000017109005	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@@H](C)C[C@H](O)C[C@@H]2[C@@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000017109007	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3	ZINC000017187355	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@]1(O)C3	ZINC000017187357	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2CC[C@]1(O)C3	ZINC000017187360	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@]1(O)C3	ZINC000017187363	EG	Annotated	Mild	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5nonc5CC[C@]34C)[C@H]1C/C(=N/O)C2=O	ZINC000017195126	EG	Annotated	Mild	
COc1cc(/C=C2\CC[C@@](C)(CN(C)C)C2=O)cc(OC)c1OC	ZINC000017198823	EG	Annotated	Mild	
COc1cc(/C=C2\CC[C@](C)(CN(C)C)C2=O)cc(OC)c1OC	ZINC000017198825	EG	Annotated	Mild	
C=CCOC(=O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1	ZINC000017216551	EG	Annotated	Mild	
Cc1c(C(=O)/C=C/c2ccccc2O)c(=O)n(-c2ccccc2)n1C	ZINC000017219166	EG	Annotated	Mild	
CC(=O)NC1(NC(C)=O)[C@H]2C[C@@H]([C@H]1Cc1ccccc1)C(C)(C)[C@H]2C	ZINC000017221113	EG	Annotated	Anodyne	
Oc1nc(S)nc2nc3c4cccnc4c4ccccc4c3nc12	ZINC000017221582	EG	Annotated	Bother	
Cc1nn(C(=O)c2ccncc2)c2c1[C@@H](c1ccccc1)SC(=N)N2	ZINC000017222146	EG	Annotated	Anodyne	
O=C(/N=N/c1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1	ZINC000017255613	EG	Annotated	Reactive	
O=c1[nH]nc(Nc2ccc(Cl)cc2)c2nnn(C3CCCCC3)c12	ZINC000017261338	EG	Annotated	Anodyne	
C[C@H]1CN(c2ccccn2)[C@@H](C)CN1C(=S)Nc1ccccc1	ZINC000017325415	EG	Annotated	Anodyne	 
O[C@H](c1ccc(Cl)cc1Cl)[C@H](Cc1cccnc1)n1cncn1	ZINC000017440314	EG	Annotated	Anodyne	
O[C@H](c1ccc(Cl)cc1Cl)[C@@H](Cc1cccnc1)n1cncn1	ZINC000017440315	EG	Annotated	Anodyne	
O[C@@H](c1ccc(Cl)cc1Cl)[C@H](Cc1cccnc1)n1cncn1	ZINC000017440316	EG	Annotated	Anodyne	
O[C@@H](c1ccc(Cl)cc1Cl)[C@@H](Cc1cccnc1)n1cncn1	ZINC000017440317	EG	Annotated	Anodyne	
CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1	ZINC000017511322	EG	Annotated	Mild	
CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1	ZINC000017511324	EG	Annotated	Mild	
CSc1nc2n(n1)[C@@H](c1ccccn1)[C@H]1C(=O)CC(C)(C)CC1=N2	ZINC000017511617	EG	Annotated	Anodyne	
CSc1nc2n(n1)[C@@H](c1ccccn1)[C@@H]1C(=O)CC(C)(C)CC1=N2	ZINC000017511619	EG	Annotated	Anodyne	
CSc1nc2n(n1)[C@H](c1ccccn1)[C@H]1C(=O)CC(C)(C)CC1=N2	ZINC000017511621	EG	Annotated	Anodyne	
CSc1nc2n(n1)[C@H](c1ccccn1)[C@@H]1C(=O)CC(C)(C)CC1=N2	ZINC000017511623	EG	Annotated	Anodyne	
CCn1c(C)c(P(c2ccccc2)c2ccccc2)[n+]2ccccc12	ZINC000017595893	EG	Annotated	Reactive	 
Cc1c(/N=N\C2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000017595900	EG	Annotated	Mild	 
COc1ccc([C@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@H]32)cc1OC	ZINC000017731262	EG	Annotated	Anodyne	
COc1ccc([C@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@@H]32)cc1OC	ZINC000017731264	EG	Annotated	Anodyne	
Cc1nc2c3c(sc2c(=O)[nH]1)NC(=O)C[C@H]3c1ccccc1Cl	ZINC000017747311	EG	Annotated	Anodyne	 
CC(=O)C1=C(O)[C@H](Cc2c[nH]c3cccc(CC=C(C)C)c23)NC1=O	ZINC000017889037	EG	Annotated	Mild	in-vitro
C/N=c1\scc(-c2ccc(OC)cc2)n1/N=C(\C)c1cccnc1	ZINC000017918347	EG	Annotated	Mild	 
Cc1c2c(cc3c1C(=O)C(O)=C([C@@H](C)CO)C3=O)C(C)(C)CCC2	ZINC000017994780	EG	Annotated	Mild	 
CC1=[N+](C)N(c2ccccc2)C(=O)[C@H]1/N=C/c1ccc(Cl)cc1	ZINC000017995937	EG	Annotated	Mild	 
CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C/c1ccc(Cl)cc1	ZINC000017995943	EG	Annotated	Mild	 
C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1nc2ncccc2[nH]1	ZINC000018009047	EG	Annotated	Mild	 
CC1=[N+](C)N(c2ccccc2)C(=O)[C@@H]1/N=C/c1ccccc1Cl	ZINC000018009581	EG	Annotated	Mild	 
Fc1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1F	ZINC000018034456	EG	Annotated	Anodyne	 
Cc1nc2c3c(sc2c(=O)[nH]1)NC(=O)C[C@@H]3c1ccccc1Cl	ZINC000018037798	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@H]32)cc1OC	ZINC000018084466	EG	Annotated	Anodyne	
COc1ccc([C@@H]2c3c(C)n[nH]c3N=C3CCCC(=O)[C@@H]32)cc1OC	ZINC000018084468	EG	Annotated	Anodyne	
O=S(=O)(/N=C(/c1ccccc1F)N1CCCCC1)c1ccccc1	ZINC000018088082	EG	Annotated	Mild	 
C[C@H](c1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000018124608	EG	Annotated	Bother	 
COc1ccccc1/C=C/C=N\[C@@H]1C(=O)N(c2ccccc2)[N+](C)=C1C	ZINC000018154810	EG	Annotated	Mild	 
COc1ccccc1/C=C/C=N/[C@H]1C(=O)N(c2ccccc2)[N+](C)=C1C	ZINC000018154812	EG	Annotated	Mild	 
COC1=C/C(=C/NN2[C@@H](C)CCC[C@H]2C)C=C(Br)C1=O	ZINC000018155820	EG	Annotated	Mild	 
COc1ccc(NC2=NNC(=C3C=CC(=O)C=C3)c3ccccc32)cc1	ZINC000018156700	EG	Annotated	Mild	 
Cc1cccc2c1cnn2C(=O)CCC(=O)N1C[C@@H](C)C[C@@H](C)C1	ZINC000018176264	EG	Annotated	Anodyne	 
Cc1ccc(C)c(OCc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)no2)c1	ZINC000018177241	EG	Annotated	Anodyne	 
Cc1cc(N(CCO)CCO)ccc1/N=N\c1cc(F)ccc1F	ZINC000018178629	EG	Annotated	Clean	 
C[C@@H]1Nc2cc(NC(=O)OCCF)nc(N)c2N=C1c1ccccc1	ZINC000018180317	EG	Annotated	Anodyne	
Oc1c2c(nc3nc(NCc4cccc5ccccc45)nn13)CCC2	ZINC000018221933	EG	Annotated	Anodyne	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C	ZINC000018246681	EG	Annotated	Mild	 
CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C	ZINC000018246683	EG	Annotated	Mild	 
[O-][n+]1ccccc1SCc1nc2cc(Br)ccc2[nH]1	ZINC000185397367	EG	Annotated	Anodyne	 
CN1CCC(n2[nH]cc3nc(-c4coc(-c5ccccc5)n4)nc2-3)CC1	ZINC000019112146	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC	ZINC000019134826	EG	Annotated	Mild	 
COc1ccc([C@H]2C3=C(CCCC3=O)Nc3n[nH]c(C)c32)cc1OC	ZINC000019134832	EG	Annotated	Mild	 
CN(CCc1cnn(C)c1)Cc1cn(C)nc1-c1cccc(Cl)c1	ZINC000019220961	EG	Annotated	Anodyne	 
CCc1ccc(CNC[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)o1	ZINC000019225790	EG	Annotated	Anodyne	 
CSc1ncc(CN2CCC[C@@H](N(C)Cc3ccccc3)C2)cn1	ZINC000019229193	EG	Annotated	Anodyne	 
CSc1ncc(CN2CCC[C@H](N(C)Cc3ccccc3)C2)cn1	ZINC000019229195	EG	Annotated	Anodyne	 
COc1c(C)cc(C)cc1-c1nc2c(cnn2C2CCN(C)CC2)[nH]1	ZINC000019229261	EG	Annotated	Anodyne	 
Cc1cc(C)c(O)c(CN2CCN(C(C)C)CCN(C(C)C)CC2)c1	ZINC000019365658	EG	Annotated	Clean	
COC(=O)/C=C/OC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C	ZINC000194996663	EG	Annotated	Reactive	
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4C[C@@H](C)O[C@H](C)C4)[C@H]3C[C@@H]12	ZINC000019703267	EG	Annotated	Mild	 
COc1ccc(-c2n[nH]cc2CNCCc2cscn2)cc1F	ZINC000019741744	EG	Annotated	Anodyne	 
CCn1cncc1CN1CCC([C@@H]2CCN(CC(C)(C)C)C2)CC1	ZINC000019743531	EG	Annotated	Anodyne	 
CCn1cncc1CN1CCC([C@H]2CCN(CC(C)(C)C)C2)CC1	ZINC000019743533	EG	Annotated	Anodyne	 
COc1ccnc(Cn2ccc(-c3cccc(-c4cncnc4)c3)n2)c1	ZINC000019770754	EG	Annotated	Anodyne	 
CC(C)Cc1noc(-c2ccc(NCc3noc(C(C)C)n3)nc2)n1	ZINC000019771427	EG	Annotated	Anodyne	 
Cc1ncc2c(c1-c1noc([C@@H]3CCc4ccccc4O3)n1)CCNC2	ZINC000019771809	EG	Annotated	Anodyne	 
Cc1ncc2c(c1-c1noc([C@H]3CCc4ccccc4O3)n1)CCNC2	ZINC000019771811	EG	Annotated	Anodyne	 
Cc1ncc2c(c1-c1noc(-c3ccc4ncsc4c3)n1)CCNC2	ZINC000019773817	EG	Annotated	Anodyne	 
Cc1ncc2c(c1-c1noc(-c3nc(C(C)C)cs3)n1)CCNC2	ZINC000019792781	EG	Annotated	Anodyne	 
Fc1ccc([C@@]2(c3noc(CCc4ccncc4)n3)CCOC2)cc1	ZINC000019812730	EG	Annotated	Anodyne	 
Fc1ccc([C@]2(c3noc(CCc4ccncc4)n3)CCOC2)cc1	ZINC000019812733	EG	Annotated	Anodyne	 
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc3c(c1)OCO3)[C@@H]2C	ZINC000019831667	EG	Annotated	Mild	
C[C@H](c1cccc(-c2nc3c(cnn3Cc3cccnc3)[nH]2)c1)N(C)C	ZINC000019838236	EG	Annotated	Anodyne	 
C[C@@H](c1cccc(-c2nc3c(cnn3Cc3cccnc3)[nH]2)c1)N(C)C	ZINC000019838238	EG	Annotated	Anodyne	 
Cc1nn(C)c(C)c1CN(Cc1nc(CCC(C)C)no1)C(C)C	ZINC000019841506	EG	Annotated	Anodyne	 
Fc1cccc([C@@]2(CNc3ccnn3Cc3ccco3)CCOC2)c1	ZINC000019882691	EG	Annotated	Anodyne	 
Fc1cccc([C@]2(CNc3ccnn3Cc3ccco3)CCOC2)c1	ZINC000019882693	EG	Annotated	Anodyne	 
Cc1n[nH]c(C)c1CCCN(C)C[C@@]1(c2cccc(F)c2)CCOC1	ZINC000019883666	EG	Annotated	Anodyne	 
Cc1n[nH]c(C)c1CCCN(C)C[C@]1(c2cccc(F)c2)CCOC1	ZINC000019883668	EG	Annotated	Anodyne	 
Cc1ccccc1-n1cc(-c2ccnc(NC[C@@H]3CCCOC3)n2)cn1	ZINC000019938854	EG	Annotated	Anodyne	 
Cc1ccccc1-n1cc(-c2ccnc(NC[C@H]3CCCOC3)n2)cn1	ZINC000019938855	EG	Annotated	Anodyne	 
O=S(=O)(N[C@H]1[C@H]2CCCC[C@@]1(CO)CC2)c1ccc(Cl)s1	ZINC000195086144	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C\C[C@H]12	ZINC000195120187	EG	Annotated	Mild	
O=C1O[B-]2(N[C@H]1Cc1c[nH]c3ccc(O)cc13)C1CCCC2CCC1	ZINC000195144792	EG	Annotated	Anodyne	
COC(=O)CCOC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C	ZINC000195188800	EG	Annotated	Reactive	
CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H]1O4	ZINC000195243558	EG	Annotated	Reactive	
CCCCC/N=C(/N)N/N=C/c1c[nH]c2ccc([Si](C)(C)C)cc12	ZINC000195258615	EG	Annotated	Mild	
C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000195288343	EG	Annotated	Reactive	
C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3ccco3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	ZINC000195288358	EG	Annotated	Reactive	
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	ZINC000195288370	EG	Annotated	Reactive	
COc1cc(-c2cn(C[Si](C)(C)C)nn2)ccc1-n1cnc(C)c1	ZINC000195319699	EG	Annotated	Anodyne	
COc1cc(-n2cc(C[Si](C)(C)C)nn2)ccc1-n1cnc(C)c1	ZINC000195326990	EG	Annotated	Anodyne	
C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000195349602	EG	Annotated	Mild	
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@H]2C	ZINC000195349671	EG	Annotated	Mild	 
C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@H]2C	ZINC000195349679	EG	Annotated	Mild	
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC	ZINC000195354571	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(\C)CC/C=C(/C)[C@H]2O	ZINC000195359156	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(/CO)CC/C=C(/C)CC/C=C(/C)[C@H]2O	ZINC000195359164	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(\C)CC/C=C(/C)[C@H]2O	ZINC000195359171	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(/C)CC/C=C(/C)[C@H]2O	ZINC000195359177	EG	Annotated	Mild	
COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@H](OC)[C@H]2C	ZINC000195360099	EG	Annotated	Anodyne	
COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@@H](OC)[C@H]2C	ZINC000195360108	EG	Annotated	Anodyne	
COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@H](OC)[C@@H]2C	ZINC000195360115	EG	Annotated	Anodyne	
COC(=O)C1=C2CCCO[C@H]2[C@@H]2[C@H]1c1ccccc1[C@@H](OC)[C@@H]2C	ZINC000195360124	EG	Annotated	Anodyne	
CN1CC[C@@]2(CCCCCC2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12	ZINC000195366633	EG	Annotated	Anodyne	
CN1CC[C@]2(CCCCCC2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12	ZINC000195366645	EG	Annotated	Anodyne	
CC1=C2[C@H](O)[C@H]([C@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000195367040	EG	Annotated	Mild	
CC1=C2[C@H](O)[C@@H]([C@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000195367049	EG	Annotated	Mild	
C[Si](C)(C)CS(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)o1	ZINC000195367933	EG	Annotated	Anodyne	
COC(=O)/C=C/C1=C(C)C2=Cc3c(C)cc(C)n3[B-](F)(F)[N+]2=C1C	ZINC000195370664	EG	Annotated	Anodyne	
CC(C)[C@@]12/C=C\[C@@](C)(O)C/C=C/[C@](C)(O)CC/C=C(/CC1)C(=O)O2	ZINC000195416804	EG	Annotated	Anodyne	
C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@H]3[C@H](C)CO[C@]3(C)O4)C[C@@H]12	ZINC000195422874	EG	Annotated	Anodyne	
C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@@H]12)O[C@]1(C)OC[C@H](C)[C@@H]1C4	ZINC000195422882	EG	Annotated	Anodyne	
C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@@H]12)O[C@@]1(C)OC[C@@H](C)[C@@H]1C4	ZINC000195422890	EG	Annotated	Anodyne	
O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O	ZINC000195424855	EG	Annotated	Anodyne	 
CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@H]1C	ZINC000195459830	EG	Annotated	Anodyne	
CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@H]1C	ZINC000195459836	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)[C@@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000195480117	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)[C@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000195480121	EG	Annotated	Anodyne	
CC1(CC(=O)O[C@H](C#C[Si](C)(C)C)Cc2ccccc2)OCCO1	ZINC000195494492	EG	Annotated	Mild	
CC1(CC(=O)O[C@@H](C#C[Si](C)(C)C)Cc2ccccc2)OCCO1	ZINC000195494495	EG	Annotated	Mild	
CC(=O)NC1(NC(C)=O)[C@H](Cc2ccccc2)[C@@H]2C[C@@H]1[C@@H](C)C2(C)C	ZINC000195496826	EG	Annotated	Anodyne	
CC(=O)NC1(NC(C)=O)[C@@H]2C[C@@H]([C@H]1Cc1ccccc1)C(C)(C)[C@H]2C	ZINC000195496829	EG	Annotated	Anodyne	
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@]1(C#N)[C@@H](c1ccccc1)O3	ZINC000195516002	EG	Annotated	Mild	
C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1F	ZINC000195960389	EG	Annotated	Anodyne	 
C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccc(Cl)cc1F	ZINC000195960393	EG	Annotated	Anodyne	 
C[Si](C)(C)CC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000196161324	EG	Annotated	Anodyne	 
C[Si](C)(C)CC[C@](O)(Cn1cncn1)c1ccc(F)cc1F	ZINC000196161329	EG	Annotated	Anodyne	 
CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@@H](c3ccccc3)[C@H]2C1	ZINC000196481816	EG	Annotated	Anodyne	 
CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@H]2[C@H]1c1ccccc1	ZINC000196482013	EG	Annotated	Anodyne	 
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]34C)[C@@H]1C[C@@H]1OC(=O)C[C@@H]12	ZINC000196583108	EG	Annotated	Anodyne	
CCOC(=O)c1cc2c(OC)cc(Br)c(OC)c2[nH]1	ZINC000196608941	EG	Annotated	Anodyne	 
CCc1nn(C)c(C(=O)NCc2ccc([Si](C)(C)C)cc2)c1Cl	ZINC000197133827	EG	Annotated	Anodyne	 
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3CO[C@H](O)C3=CC[C@@H]12	ZINC000197174361	EG	Annotated	Reactive	
COc1c(C(C)C)cc(O)c2c1CC[C@@H]1[C@]2(C)CC[C@H](O)[C@]1(C)CO	ZINC000197446847	EG	Annotated	Anodyne	
CC[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N(C=O)[C@@H]4CC1)[C@H]32	ZINC000197874883	EG	Annotated	Anodyne	
O=C(O)CCc1ccc2n1[B-](F)(F)[N+]1=C(c3ccccc3)C=CC1=C2	ZINC000198008715	EG	Annotated	Anodyne	in-vitro
N#Cc1c(-c2cccs2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O	ZINC000198023987	EG	Annotated	Mild	 
CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)C(=O)C[C@]3(C)CC[C@@]21C(=O)O	ZINC000198044154	EG	Annotated	Anodyne	
O=C(COc1c(Cl)cc(Cl)cc1Cl)NN/C=C1/C=CC=N1	ZINC000198342401	EG	Annotated	Reactive	 
CC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)OC(=O)C2=O	ZINC000198421079	EG	Annotated	Anodyne	
O=c1c2ccccc2sc2cc(OC[C@H](O)CCl)cc(O)c12	ZINC000198496392	EG	Annotated	Reactive	 
O=c1c2ccccc2sc2cc(OC[C@@H](O)CCl)cc(O)c12	ZINC000198496404	EG	Annotated	Reactive	 
OC[C@H](O)C#CC#C/C=C\CCCCCC/C=C/Br	ZINC000198646744	EG	Annotated	Mild	
CC1=CC(=O)/C(=C(O)/C=C/c2ccccc2Br)C(=O)O1	ZINC000198679302	EG	Annotated	Mild	 
CC1=CC(=O)/C(=C(O)/C=C/c2c(F)c(F)c(F)c(F)c2F)C(=O)O1	ZINC000198766050	EG	Annotated	Mild	 
C[C@H]1COc2c1cc1c(c2O)C[C@@]23CCCC(C)(C)[C@@H]2[C@@H](O)[C@@H]1O3	ZINC000198795660	EG	Annotated	Anodyne	
C/C=C/C(=O)N1CCc2cc3c(c4c2[C@@H]1[C@H](O)c1ccccc1-4)OCO3	ZINC000198811755	EG	Annotated	Anodyne	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H]1CC(C)(C)N([O])C1(C)C	ZINC000198852734	EG	Annotated	Anodyne	 
Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@H]1CC(C)(C)N([O])C1(C)C	ZINC000198852745	EG	Annotated	Anodyne	 
CC(=O)C[C@H]1O[C@@H]([C@](C)(O)/C=C/C=O)[C@@H]2[C@@H](C(C)C)CC=C(C)[C@H]12	ZINC000198886182	EG	Annotated	Reactive	
C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@H]12	ZINC000199203739	EG	Annotated	Mild	
CC(C)(C)n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCC1	ZINC000199217685	EG	Annotated	Anodyne	 
CC(C)(C)n1nnnc1[C@H](c1cc2ccccc2o1)N1CCCC1	ZINC000199217699	EG	Annotated	Anodyne	 
CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1Cc1cccs1	ZINC000199224609	EG	Annotated	Anodyne	 
CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1Cc1cccs1	ZINC000199224624	EG	Annotated	Anodyne	 
Cc1ccccc1CN1C(=O)c2ccccc2[C@H]1c1nnnn1C(C)C	ZINC000199224736	EG	Annotated	Anodyne	 
Cc1ccccc1CN1C(=O)c2ccccc2[C@@H]1c1nnnn1C(C)C	ZINC000199224747	EG	Annotated	Anodyne	 
COc1ccc([C@@](O)(c2ncnc3ccccc23)C(F)(F)F)cc1	ZINC000199275851	EG	Annotated	Anodyne	 
COc1ccc([C@](O)(c2ncnc3ccccc23)C(F)(F)F)cc1	ZINC000199275865	EG	Annotated	Anodyne	 
CC1(C)CC(=O)C=C(c2ccccc2-c2cccc(C(N)=O)c2)C1=O	ZINC000199355393	EG	Annotated	Mild	 
CC(C)C(=O)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1	ZINC000199407620	EG	Annotated	Anodyne	 
COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@H]1c1cccc(Cl)c1	ZINC000199423107	EG	Annotated	Anodyne	 
COC(=O)C1=C(C)N(C)C(NCC2CC2)=N[C@@H]1c1cccc(Cl)c1	ZINC000199423121	EG	Annotated	Anodyne	 
NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Cl	ZINC000199711049	EG	Annotated	Anodyne	 
CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1cccs1	ZINC000199724730	EG	Annotated	Anodyne	 
CCOC(=O)CN1CCCc2nc(-c3ccc(OC)cc3)ccc21	ZINC000199726612	EG	Annotated	Anodyne	 
COCc1[nH]nc2c1[C@@H](c1ccccc1)N(Cc1ccccc1)C2=O	ZINC000199730749	EG	Annotated	Anodyne	 
COCc1[nH]nc2c1[C@H](c1ccccc1)N(Cc1ccccc1)C2=O	ZINC000199730765	EG	Annotated	Anodyne	 
CCCN1C(=O)c2n[nH]c(C)c2[C@H]1c1ccc(Br)cc1	ZINC000199730782	EG	Annotated	Anodyne	 
CCCN1C(=O)c2n[nH]c(C)c2[C@@H]1c1ccc(Br)cc1	ZINC000199730797	EG	Annotated	Anodyne	 
COCc1[nH]nc2c1[C@@H](c1ccc(F)cc1)N(c1ccccc1)C2=O	ZINC000199731210	EG	Annotated	Anodyne	 
COCc1[nH]nc2c1[C@H](c1ccc(F)cc1)N(c1ccccc1)C2=O	ZINC000199731226	EG	Annotated	Anodyne	 
COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1Br	ZINC000199734829	EG	Annotated	Anodyne	 
COC(=O)N1Cc2ccnnc2C[C@H]1c1ccccc1Br	ZINC000199734857	EG	Annotated	Anodyne	 
C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(Br)ccc4CCN3C[C@@H]12	ZINC000199739838	EG	Annotated	Anodyne	 
C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CCCCC5)ccc4CCN3C[C@@H]12	ZINC000199740217	EG	Annotated	Anodyne	 
CCCCCC[C@@H](C)/C=C(\C)[C@H](O)[C@H]1C=C(/C=C/C(=O)O)C(=O)O1	ZINC000199804517	EG	Annotated	Anodyne	
CC(C)[C@]12/C=C/[C@](C)(O)CC/C=C(\CO)CC[C@H](O)[C@](C)(CC1)O2	ZINC000199852506	EG	Annotated	Anodyne	
CC(C)[C@]12/C=C/[C@@](C)(O)CC/C=C(\CO)CC[C@H](O)[C@](C)(CC1)O2	ZINC000199852561	EG	Annotated	Anodyne	
CC(C)[C@]12/C=C/[C@@](C)(O)CC/C=C(\CO)CC[C@H](O1)[C@@](C)(O)CC2	ZINC000199852627	EG	Annotated	Anodyne	
CC(C)[C@]12/C=C/[C@](C)(O)CC/C=C(\CO)CC[C@H](O1)[C@@](C)(O)CC2	ZINC000199857719	EG	Annotated	Anodyne	
CC(C)/C1=C/[C@H](O)[C@](C)(O)CC/C=C(\CO)CC[C@@H]2O[C@@]2(C)CC1	ZINC000199857789	EG	Annotated	Anodyne	
C/C1=C\[C@H](O)[C@@]2(C(C)C)CC[C@](C)(O2)[C@@H](O)CC/C(CO)=C/CC1	ZINC000199861444	EG	Annotated	Anodyne	
C=C1CC(=O)/C=C(/C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12	ZINC000199863358	EG	Annotated	Mild	
CO[C@@]1(CO)CCC[C@H]2C1=CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O	ZINC000199928787	EG	Annotated	Anodyne	
CCOCn1c(SC2CCCCC2)c(C(C)C)c(=O)[nH]c1=O	ZINC000002008218	EG	Annotated	Anodyne	in-vivo
C=CCN1c2cc(F)ccc2NC(=O)[C@@]1(C#CC1CC1)C(F)(F)F	ZINC000002008761	EG	Annotated	Mild	
CN(C)C(=O)c1ccc(N/C=C(\C=O)c2nc3ccccc3o2)cc1	ZINC000002026071	EG	Annotated	Reactive	 
CCOCC(=O)Nc1cc(C(=O)NCCC(C)C)ccc1Cl	ZINC000002069791	EG	Annotated	Anodyne	 
CC1(C)Cc2nc3sc4c(NCCO)ncnc4c3cc2CS1	ZINC000002229761	EG	Annotated	Anodyne	 
CCCOC(=O)C[N+](C)(C)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000002290247	EG	Annotated	Mild	 
Cc1nc(N2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCCC3	ZINC000002452505	EG	Annotated	Anodyne	 
CCCCN(c1ccccc1)S(=O)(=O)c1cccc2nonc12	ZINC000002457868	EG	Annotated	Clean	 
CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@@H]1c1cccs1	ZINC000002460040	EG	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)[C@@H]1c1cccs1	ZINC000002460043	EG	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCC2)[C@H]1c1cccs1	ZINC000002460046	EG	Annotated	Anodyne	 
CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCC2)[C@H]1c1cccs1	ZINC000002460048	EG	Annotated	Anodyne	 
CCN(CC)CCNC(=O)c1cc2c(=O)oc3ccccc3c2s1	ZINC000002461384	EG	Annotated	Anodyne	
O=C(NCc1ccccn1)c1cc2c(=O)oc3ccccc3c2s1	ZINC000002461388	EG	Annotated	Anodyne	 
O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12	ZINC000002462045	EG	Annotated	Anodyne	aggregator
O=c1sc(N2CCN(c3ccc(F)cc3)CC2)nc2ccsc12	ZINC000002462047	EG	Annotated	Anodyne	 
Cc1ccc(-c2cc(-c3ccc(F)cc3)c3c(=O)[nH]c(=O)[nH]c3n2)cc1	ZINC000002464122	EG	Annotated	Anodyne	
FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-n2cncn2)n1	ZINC000002466154	EG	Annotated	Anodyne	 
CCOc1ccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=O)cc1	ZINC000002466206	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12	ZINC000002466573	EG	Annotated	Anodyne	 
COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1	ZINC000002480314	EG	Annotated	Anodyne	
COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1	ZINC000002483239	EG	Annotated	Anodyne	
COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC	ZINC000002483406	EG	Annotated	Anodyne	
CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOC	ZINC000002483756	EG	Annotated	Anodyne	
CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCO)cc1	ZINC000002483819	EG	Annotated	Anodyne	
CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOC)cc1	ZINC000002483826	EG	Annotated	Anodyne	
CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCOC)c1	ZINC000002483893	EG	Annotated	Anodyne	
COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC	ZINC000002483900	EG	Annotated	Anodyne	
CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC(C)(C)O2	ZINC000002487134	EG	Annotated	Anodyne	
CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC(C)(C)O2	ZINC000002487136	EG	Annotated	Anodyne	
CCCCCCN1C(=O)NC(=O)/C(=C\c2ccccc2Cl)C1=O	ZINC000002496683	EG	Annotated	Clean	 
CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1	ZINC000002499505	EG	Annotated	Anodyne	
O=C(NCc1ccco1)c1ccc(C[S@](=O)c2ccccc2)o1	ZINC000002499506	EG	Annotated	Anodyne	
CCCCCCN(CCO)c1ccc2[nH]c(=O)c([C@@H](C)CC)nc2n1	ZINC000002499608	EG	Annotated	Anodyne	
CCCCCCN(CCO)c1ccc2[nH]c(=O)c([C@H](C)CC)nc2n1	ZINC000002499609	EG	Annotated	Anodyne	
CCCCCCN(C)c1ccc2[nH]c(=O)c(CCSC)nc2n1	ZINC000002499661	EG	Annotated	Anodyne	
CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCCC)nc2n1	ZINC000002499673	EG	Annotated	Anodyne	
COc1ccc([C@H](/C(O)=N/C2CCCCC2)N2CCOCC2)cc1	ZINC000020108398	EG	Annotated	Mild	 
COc1ccc([C@@H](/C(O)=N/C2CCCCC2)N2CCOCC2)cc1	ZINC000020108400	EG	Annotated	Mild	 
Cc1nn(C)c(Cl)c1-c1nc2c(cnn2C[C@H]2CC=CCC2)[nH]1	ZINC000020205070	EG	Annotated	Anodyne	 
Cc1nn(C)c(Cl)c1-c1nc2c(cnn2C[C@@H]2CC=CCC2)[nH]1	ZINC000020205073	EG	Annotated	Anodyne	 
COc1cc(CN[C@@H]2COc3c(cccc3OC)C2)c(Cl)cc1O	ZINC000020207168	EG	Annotated	Anodyne	 
COc1cc(CN[C@H]2COc3c(cccc3OC)C2)c(Cl)cc1O	ZINC000020207172	EG	Annotated	Anodyne	 
COc1cc(-c2nc(CN(C)Cc3nnc(C)o3)c(C)o2)ccc1F	ZINC000020210101	EG	Annotated	Anodyne	 
CC(C)c1ccc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc1	ZINC000020238207	EG	Annotated	Reactive	aggregator
CC(C)c1ccc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc1	ZINC000020238210	EG	Annotated	Reactive	aggregator
Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)sc2n1	ZINC000020355519	EG	Annotated	Anodyne	 
Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)sc2n1	ZINC000020355520	EG	Annotated	Anodyne	 
Cc1cccc2c1-c1sc(C(=O)N3CCN(C)CC3)cc1CO2	ZINC000020355754	EG	Annotated	Anodyne	 
CC[C@H](C(=O)N1C[C@@H](C)C[C@@H](C)C1)n1c(C(=O)OC)cc2occc21	ZINC000020382780	EG	Annotated	Anodyne	 
CC[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)n1c(C(=O)OC)cc2occc21	ZINC000020382788	EG	Annotated	Anodyne	 
CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@@H]1c1ccc(Cl)cc1Cl	ZINC000020437859	EG	Annotated	Anodyne	 
CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@H]1c1ccc(Cl)cc1Cl	ZINC000020437863	EG	Annotated	Anodyne	 
CC(=O)N1N=C2C3CCN(CC3)[C@H]2[C@H]1c1ccc(Cl)cc1Cl	ZINC000020437867	EG	Annotated	Anodyne	 
Cn1nnc2c(NC3CC3)nc(Cc3ccc(Cl)cc3Cl)nc21	ZINC000020444012	EG	Annotated	Anodyne	 
Cc1nnc(NCCC(C)C)c2c1nnn2Cc1ccc(F)cc1	ZINC000020447468	EG	Annotated	Anodyne	 
Cc1nnc(NC2CCCC2)c2c1nnn2Cc1ccc(F)cc1	ZINC000020447471	EG	Annotated	Anodyne	 
CO[C@@H](C(=O)N1CCc2[nH]nc(C3CCCC3)c2C1)c1ccccc1	ZINC000020454073	EG	Annotated	Anodyne	 
CO[C@H](C(=O)N1CCc2[nH]nc(C3CCCC3)c2C1)c1ccccc1	ZINC000020454075	EG	Annotated	Anodyne	 
C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C/C=C(/CO)CC[C@@H]1O	ZINC000200223607	EG	Annotated	Mild	
COc1ccc([C@@H]2C[C@H]3CN(C4CCCCC4)C(=O)[C@@H]3N2C)cc1	ZINC000200549883	EG	Annotated	Anodyne	 
Nc1nc(Nc2ccccc2)nn1-c1cc(Nc2ccccc2)ncn1	ZINC000200578944	EG	Annotated	Anodyne	in-vitro
Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1N1CCOCC1	ZINC000200621833	EG	Annotated	Anodyne	 
COC1=Cc2ccnc3c(NCCc4ccccc4)cnc(c23)C1=O	ZINC000200718205	EG	Annotated	Mild	 
N#Cc1cccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)c1	ZINC000200827300	EG	Annotated	Mild	 
N#Cc1ccc(-c2cn(-c3ccc(C(=O)O)c(O)c3)cc2C#N)cc1	ZINC000200827978	EG	Annotated	Mild	 
N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc(C(=O)O)cc1	ZINC000200829286	EG	Annotated	Mild	 
N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(=O)O)cc1	ZINC000200830895	EG	Annotated	Mild	 
N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1ccccc1OCCO	ZINC000200833741	EG	Annotated	Mild	 
CCOC(=O)c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C(F)(F)F	ZINC000200836738	EG	Annotated	Anodyne	 
CCOC(=O)c1cn(-c2ccc(C(=O)O)cc2)cc1C(F)(F)F	ZINC000200837235	EG	Annotated	Anodyne	 
N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1ccc2c(c1)OCO2	ZINC000200841237	EG	Annotated	Mild	 
COc1ccccc1-c1cn(-c2ccc(C(=O)O)c(O)c2)cc1C#N	ZINC000200846744	EG	Annotated	Mild	 
N#Cc1cn(-c2ccc(C(=O)O)cc2)cc1-c1cccc(C(=O)O)c1	ZINC000200847187	EG	Annotated	Mild	 
N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)cc1-c1cccc2c1OCO2	ZINC000200848210	EG	Annotated	Mild	 
O=C(c1sccc1Cl)N1CCC(n2nnc3ncccc32)CC1	ZINC000201449524	EG	Annotated	Anodyne	 
C=CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1	ZINC000201464146	EG	Annotated	Mild	 
C=CCCC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1	ZINC000201464183	EG	Annotated	Mild	 
O=C(Cn1c(-c2cncs2)nc2ccccc21)N1CCCCC1	ZINC000201474841	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H](O)C[C@]2(C[C@@H](O)c3ccccc3O2)O[C@H]1c1ccccc1	ZINC000201477481	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3ccccc3O2)O[C@@H]1c1ccccc1F	ZINC000201477583	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3ccccc3O2)O[C@H]1c1ccccc1F	ZINC000201477619	EG	Annotated	Anodyne	 
Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1	ZINC000201747656	EG	Annotated	Anodyne	 
CC1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1	ZINC000201768441	EG	Annotated	Mild	 
C[C@H]1/C=C/C(=O)O[C@H](C)[C@@H](C)/C=C/C=C/C(=O)[C@H](C)C[C@H](C)[C@@H]1O	ZINC000202774332	EG	Annotated	Mild	
O=C(C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1	ZINC000202898824	EG	Annotated	Anodyne	 
O=C(C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccccc1	ZINC000202898841	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3ccccc3O2)O[C@H]1c1ccccc1	ZINC000203455985	EG	Annotated	Anodyne	 
COC(=O)c1cc(-c2cc3ccccc3s2)c(=O)n2c1CCC2	ZINC000203461037	EG	Annotated	Anodyne	 
O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccccc2F)nn1	ZINC000203462533	EG	Annotated	Anodyne	 
CC(C)(C)n1nnnc1[C@@H]1CN=C(c2ccccc2)c2ccccc2N1	ZINC000203464134	EG	Annotated	Anodyne	 
CC(C)(C)n1nnnc1[C@H]1CN=C(c2ccccc2)c2ccccc2N1	ZINC000203464140	EG	Annotated	Anodyne	 
O=C1[C@@H](C2CC2)[C@@H]2c3ccccc3C=NN2[C@@H]2c3ccccc3C=NN12	ZINC000203465104	EG	Annotated	Anodyne	 
CCCCCn1nnnc1[C@]1(C)CCCCC(=O)N1Cc1ccco1	ZINC000203465506	EG	Annotated	Anodyne	 
CCCCCn1nnnc1[C@@]1(C)CCCCC(=O)N1Cc1ccco1	ZINC000203465512	EG	Annotated	Anodyne	 
O=c1c2cc3cccnc3nc2ncn1CCc1c[nH]c2ccccc12	ZINC000203467155	EG	Annotated	Bother	 
COC(=O)[C@]1(C#N)CC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1	ZINC000203469611	EG	Annotated	Mild	 
CCc1ccc(N2C(=O)C[C@@](C#N)(C(=O)OC)[C@H]2c2ccccc2)cc1	ZINC000203469850	EG	Annotated	Mild	 
CN(CC#CC1=CCCCC1)/C(N)=N/C(=O)OCc1ccccc1	ZINC000203471425	EG	Annotated	Mild	 
C=CCOC/C=C/C#CCN(CC=C)Cc1ccc(OC)cc1OC	ZINC000203471710	EG	Annotated	Mild	 
CC[C@H](CCCc1ccccc1OC)CCS(=O)(=O)N(C)C	ZINC000203472993	EG	Annotated	Anodyne	 
CC(C)CN(CC(C)C)C(=O)CSc1nc2cccnc2n1C	ZINC000203475345	EG	Annotated	Anodyne	 
C=C[C@]1(C)C=C2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O	ZINC000203714219	EG	Annotated	Mild	
Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)nc1	ZINC000203779033	EG	Annotated	Anodyne	 
O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12	ZINC000203784593	EG	Annotated	Anodyne	 
O=C1N(c2ccc(F)cn2)CCc2nc(COc3ccccc3)cn21	ZINC000204294573	EG	Annotated	Anodyne	 
O=c1n(-c2cccc(F)c2)ccc2nc(COc3ccccc3)cn12	ZINC000204321065	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3[nH]2)ccc1F	ZINC000204406095	EG	Annotated	Anodyne	 
OC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1CC1	ZINC000204407398	EG	Annotated	Anodyne	 
CC(C)(CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204407713	EG	Annotated	Anodyne	 
CC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204407939	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1cccc(-c2cccc([Si](C)(C)C)c2)n1	ZINC000204408134	EG	Annotated	Anodyne	 
CC(C)(CO)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204409117	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2cccc(N(C)C)c2)ccc1F	ZINC000204409237	EG	Annotated	Anodyne	 
O[C@@H]1CCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204410359	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nccc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204410594	EG	Annotated	Anodyne	 
CC(C)(O)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204410689	EG	Annotated	Anodyne	 
CC(=O)c1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1	ZINC000204412878	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2cc(F)c(F)c(F)c2)ccc1F	ZINC000204413092	EG	Annotated	Anodyne	 
C[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@@H](C)O	ZINC000204413825	EG	Annotated	Anodyne	 
C[C@@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F	ZINC000204413844	EG	Annotated	Anodyne	 
C[C@H](O)[C@H](C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F	ZINC000204413859	EG	Annotated	Anodyne	 
C[C@H](O)[C@@H](C)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F	ZINC000204413873	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3n2C)ccc1F	ZINC000204414138	EG	Annotated	Anodyne	 
CC(C)[C@@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204414175	EG	Annotated	Anodyne	 
CC(C)Oc1ccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)cn1	ZINC000204414211	EG	Annotated	Anodyne	 
OCC1(NCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCC1	ZINC000204414319	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2ccc3c(ccn3C)c2)ccc1F	ZINC000204414378	EG	Annotated	Anodyne	 
C[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1F	ZINC000204414486	EG	Annotated	Anodyne	 
CC(C)(CO)NCc1cccc(-c2cccc([Si](C)(C)C)c2)n1	ZINC000204414843	EG	Annotated	Anodyne	 
CC[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F	ZINC000204414949	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1cccc(C#Cc2ccc(Cl)cc2)n1	ZINC000204415295	EG	Annotated	Mild	 
CC(C)[C@H](CO)NCc1nc(-c2cccc3c2ccn3C)ccc1F	ZINC000204415329	EG	Annotated	Anodyne	 
CC[C@H](O)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204415403	EG	Annotated	Anodyne	 
CC[C@@H](O)CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204415420	EG	Annotated	Anodyne	 
CCC[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204415604	EG	Annotated	Anodyne	 
O[C@H]1CCC[C@@H]1NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204416201	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2ccc3ccn(C)c3c2)ccc1F	ZINC000204417103	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1cccc(-c2ccc(C(F)(F)F)nc2)n1	ZINC000204418951	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(C#N)c2)ccc1F	ZINC000204419540	EG	Annotated	Mild	 
CC(=O)c1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1F	ZINC000204419643	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204422165	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2cc(F)c(F)cc2F)ccc1F	ZINC000204422186	EG	Annotated	Anodyne	 
C[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)[C@@H](C)O	ZINC000204422536	EG	Annotated	Anodyne	 
C[C@@H](O)[C@@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204422554	EG	Annotated	Anodyne	 
C[C@H](O)[C@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204422569	EG	Annotated	Anodyne	 
C[C@H](O)[C@@H](C)NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1	ZINC000204422593	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)NCc1nc(-c2ccc(F)c(F)c2F)ccc1F	ZINC000204426233	EG	Annotated	Anodyne	 
CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(O)[C@@H]2O)cc1	ZINC000204562587	EG	Annotated	Anodyne	
N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1	ZINC000204937157	EG	Annotated	Mild	 
Cc1cccnc1NC(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O	ZINC000020531338	EG	Annotated	Anodyne	 
Cc1cccnc1NC(=O)[C@H](CC(C)C)N1Cc2ccccc2C1=O	ZINC000020531339	EG	Annotated	Anodyne	 
Cc1cccc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)n1	ZINC000020531340	EG	Annotated	Anodyne	 
Cc1cccc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)n1	ZINC000020531341	EG	Annotated	Anodyne	 
COc1ccnc(Cn2ccc(-c3cccc(-c4nccn4C)c3)n2)c1	ZINC000020536173	EG	Annotated	Anodyne	 
Cc1nn(C2CCCCC2)c2[nH]c(C(C)(C)CN3CCOCC3)nc12	ZINC000020538577	EG	Annotated	Anodyne	 
OCC[C@H]1CN(Cc2cccc3cnccc23)CCN1C1CCCC1	ZINC000020540718	EG	Annotated	Anodyne	 
COc1ccc(Cc2[nH]nc3c2CN(Cc2nccs2)CC3)cc1	ZINC000020541490	EG	Annotated	Anodyne	 
Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCOCC2)s1	ZINC000020597758	EG	Annotated	Anodyne	 
O=C1CC[C@H](c2nc(CC(c3ccccc3)c3ccccc3)no2)N1	ZINC000020598500	EG	Annotated	Anodyne	 
OCC[C@H]1CN(Cc2nc3ccccc3s2)CCN1C1CCCC1	ZINC000020598532	EG	Annotated	Anodyne	 
O=C(NCc1noc(C2CCCC2)n1)c1ccc([C@@H]2CCCN2)s1	ZINC000020598990	EG	Annotated	Anodyne	 
O=C(NCc1noc(C2CCCC2)n1)c1ccc([C@H]2CCCN2)s1	ZINC000020598991	EG	Annotated	Anodyne	 
Cc1c2c(nc3c(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)cnn13)CCCC2	ZINC000020678507	EG	Annotated	Anodyne	 
Cc1c2c(nc3c(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)cnn13)CCCC2	ZINC000020678511	EG	Annotated	Anodyne	 
CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)N1C(=O)COc2ccccc21	ZINC000020686097	EG	Annotated	Anodyne	 
Cc1ccc(-c2cccc(-c3ccn(CCN4CCCC4)n3)c2)nn1	ZINC000020774191	EG	Annotated	Anodyne	 
Cc1nn(C)c(Cl)c1-c1nc2c(cnn2Cc2ccccc2)[nH]1	ZINC000020780585	EG	Annotated	Anodyne	 
Cc1ncc2c(c1-c1noc(-c3cc4cc(F)ccc4[nH]3)n1)CCNC2	ZINC000020782187	EG	Annotated	Anodyne	 
COc1ccc([C@@H](C#CCOc2ccccc2)N2CCOCC2)cc1	ZINC000020807027	EG	Annotated	Mild	
COc1ccc([C@H](C#CCOc2ccccc2)N2CCOCC2)cc1	ZINC000020807031	EG	Annotated	Mild	
Cc1oc2ncn(CC(C)C)c(=O)c2c1NC(=O)NC1CCCCC1	ZINC000020847853	EG	Annotated	Anodyne	 
COc1nccnc1-c1cccc(-c2ccn(Cc3ccncc3)n2)c1	ZINC000020867484	EG	Annotated	Anodyne	 
CCC[C@@H](C)c1nnc(NC(=O)NCc2noc(C3CC3)n2)s1	ZINC000020867737	EG	Annotated	Anodyne	 
CCC[C@H](C)c1nnc(NC(=O)NCc2noc(C3CC3)n2)s1	ZINC000020867740	EG	Annotated	Anodyne	 
CCN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2Cl)no1	ZINC000020993780	EG	Annotated	Anodyne	 
Cc1ncsc1CCCNC(=O)c1ccc([C@@H]2CCCN2)s1	ZINC000020995458	EG	Annotated	Anodyne	 
Cc1ncsc1CCCNC(=O)c1ccc([C@H]2CCCN2)s1	ZINC000020995461	EG	Annotated	Anodyne	 
Cc1ccn2cc(CNC(=O)c3ccc([C@@H]4CCCN4)s3)nc2c1	ZINC000020997724	EG	Annotated	Anodyne	 
Cc1ccn2cc(CNC(=O)c3ccc([C@H]4CCCN4)s3)nc2c1	ZINC000020997726	EG	Annotated	Anodyne	 
Cc1ccc(SC2CCN(C(=O)CCc3n[nH]c(C)n3)CC2)cc1	ZINC000020998722	EG	Annotated	Anodyne	 
CCCCCO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl	ZINC000205339045	EG	Annotated	Reactive	 
CCCCCO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl	ZINC000205339060	EG	Annotated	Reactive	 
CCCCCO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl	ZINC000205339074	EG	Annotated	Reactive	 
CCCCCO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl	ZINC000205339087	EG	Annotated	Reactive	 
O=C(c1ccc2c(c1)OCO2)[C@@H]1CO[C@@H](c2ccc3c(c2)OCO3)C1	ZINC000205384885	EG	Annotated	Anodyne	
O=C(NCc1ccc(F)cc1)Nc1cc2n[nH]c(C3CC3)c2cn1	ZINC000205434128	EG	Annotated	Anodyne	 
CC1=C(C=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)O[C@@H](C)C3	ZINC000205485236	EG	Annotated	Reactive	
C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CC[C@]2(C)O[C@]2(C)C1=CC3=O	ZINC000205485277	EG	Annotated	Mild	
C[C@@]1([C@H](O)CO)C=C2CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC1	ZINC000205491946	EG	Annotated	Anodyne	
COc1cc2ccc1Oc1cc(ccc1O)C[C@@H](O)[C@@H](O)CCCC2	ZINC000205499192	EG	Annotated	Anodyne	
COC(=O)c1cc2cc(NCc3cc4nc[nH]c4cc3C)cnc2[nH]1	ZINC000205521635	EG	Annotated	Anodyne	 
CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@@H]1C[C@H]21	ZINC000205603144	EG	Annotated	Anodyne	 
CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21	ZINC000205604283	EG	Annotated	Anodyne	 
C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@H]2CCCN2C1=O	ZINC000205636078	EG	Annotated	Mild	
C[C@@H]1C(=O)C=C2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](CO)(CCO)O2	ZINC000205655846	EG	Annotated	Mild	
CCCCc1c(C)nc2n(C)c3ncn(Cc4ccccc4)c3c(=O)n12	ZINC000205703475	EG	Annotated	Anodyne	 
CS(=O)(=O)N1c2ccccc2C[C@H]1Cc1cc2ccccc2o1	ZINC000205703684	EG	Annotated	Anodyne	 
COc1ccccc1CN[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	ZINC000205705584	EG	Annotated	Anodyne	 
COc1cccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1	ZINC000205705732	EG	Annotated	Anodyne	 
COc1ccc(CN[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)cc1	ZINC000205705802	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	ZINC000205706271	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1	ZINC000205711070	EG	Annotated	Anodyne	 
CCCCNC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C	ZINC000205711886	EG	Annotated	Anodyne	 
CCN(CC)C(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C	ZINC000205711926	EG	Annotated	Anodyne	 
C[C@H]1[C@@H](OC(=O)N2CCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205711999	EG	Annotated	Anodyne	 
C[C@H]1[C@@H](OC(=O)NC2CCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205712052	EG	Annotated	Anodyne	 
O=C(N[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)c1ccccc1	ZINC000205713030	EG	Annotated	Anodyne	 
O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1)c1ccccc1	ZINC000205713049	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NCc1cccnc1	ZINC000205713298	EG	Annotated	Anodyne	 
CCC[C@H]1[C@@H](NC(=O)NCC)CC[C@@]23CCCN2C(=O)CCC[C@@H]13	ZINC000205713719	EG	Annotated	Anodyne	 
CC[C@@H](C#Cc1ccccc1)N(C)/C(N)=N/C(=O)/C=C/c1ccccc1	ZINC000205717437	EG	Annotated	Mild	 
CC[C@H](C#Cc1ccccc1)N(C)/C(N)=N/C(=O)/C=C/c1ccccc1	ZINC000205717459	EG	Annotated	Mild	 
CCOC(=O)/C(C#N)=C\C(=C(\O)c1ccccc1)[n+]1ccc(C)cc1	ZINC000205723945	EG	Annotated	Reactive	 
COc1ccc2nccc(C(=O)C3=CC=C4C=[N+]([O-])CC[C@H]4C3)c2c1	ZINC000205757660	EG	Annotated	Mild	
COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1	ZINC000205828908	EG	Annotated	Reactive	 
CCCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21	ZINC000205861192	EG	Annotated	Clean	in-vitro
CC(=O)[C@H](C(=O)Nc1c(C)cccc1C)N(C(C)=O)C1CCCCC1	ZINC000205862522	EG	Annotated	Anodyne	 
CC(=O)[C@@H](C(=O)Nc1c(C)cccc1C)N(C(C)=O)C1CCCCC1	ZINC000205862542	EG	Annotated	Anodyne	 
c1ccc2[nH]c(Cn3c(-c4cnccn4)nc4ccccc43)nc2c1	ZINC000205863278	EG	Annotated	Anodyne	 
CCOC(=O)c1cncn1-c1ccccc1CNC(=O)OC(C)(C)C	ZINC000205863754	EG	Annotated	Anodyne	 
CCCN1C(=O)CC[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccco1	ZINC000206021073	EG	Annotated	Anodyne	 
COC(=O)[C@@]1(C#N)CC(=O)N([C@@H](C)c2ccccc2)[C@H]1c1ccccc1	ZINC000206021268	EG	Annotated	Mild	 
Cc1cc2onc([C@H]3CCCN3C(=O)N3CCOCC3)c2cc1C	ZINC000206029792	EG	Annotated	Anodyne	 
COc1cc2onc([C@H]3CCCN3C(=O)C(F)(F)F)c2cc1OC	ZINC000206030008	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@@H]1N(C)c3ccccc3[C@@]13CCN[C@H]3C2	ZINC000206037896	EG	Annotated	Clean	 
CCCCNC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C	ZINC000206044862	EG	Annotated	Anodyne	 
Cc1cccc(C)c1NC(=O)[C@@H](C1CC1)N1C(=O)C(=O)c2ccccc21	ZINC000206050722	EG	Annotated	Anodyne	 
Cc1cccc(C)c1NC(=O)[C@H](C1CC1)N1C(=O)C(=O)c2ccccc21	ZINC000206050747	EG	Annotated	Anodyne	 
COc1ccc2c3n([n+]([O-])c2c1)[C@H](C)CN=C3c1ccc(Cl)cc1	ZINC000206061083	EG	Annotated	Anodyne	 
COc1ccc2c3n([n+]([O-])c2c1)[C@@H](C)CN=C3c1ccc(Cl)cc1	ZINC000206061098	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)N2C=CC(=O)C[C@@H]2c2cccs2)cc1	ZINC000206062298	EG	Annotated	Mild	 
Cc1ccc(S(=O)(=O)N2C=CC(=O)C[C@H]2c2cccs2)cc1	ZINC000206062324	EG	Annotated	Mild	 
O=C1C=CN(S(=O)(=O)c2ccc(F)cc2)[C@H](c2cccs2)C1	ZINC000206062403	EG	Annotated	Mild	 
O=C1C=CN(S(=O)(=O)c2ccc(F)cc2)[C@@H](c2cccs2)C1	ZINC000206062421	EG	Annotated	Mild	 
O=CN1Cc2nc3ccccc3n2-c2cc(Br)ccc21	ZINC000206062884	EG	Annotated	Anodyne	 
CC1(C)OB(c2cc(C(F)(F)F)cc(C(F)(F)F)n2)OC1(C)C	ZINC000206084379	EG	Annotated	Mild	 
CC(C)=CCOc1ccc([C@@H]2C(=O)N(O)C(=O)/C2=C\C(C)C)cc1	ZINC000206112043	EG	Annotated	Anodyne	
CC(C)(C)Oc1c(OC2CC2)ccnc1B1OC(C)(C)C(C)(C)O1	ZINC000206124789	EG	Annotated	Mild	 
CC(C)(C)Oc1c(OC2CC2)cncc1B1OC(C)(C)C(C)(C)O1	ZINC000206124821	EG	Annotated	Mild	 
CC(C)(C)Oc1cc(OC2CC2)cnc1B1OC(C)(C)C(C)(C)O1	ZINC000206124882	EG	Annotated	Mild	 
CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ncc1OC1CC1	ZINC000206124935	EG	Annotated	Mild	 
CC(C)(C)Oc1cc(OC2CC2)cc(B2OC(C)(C)C(C)(C)O2)n1	ZINC000206125003	EG	Annotated	Mild	 
CC(C)(C)Oc1ccc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)n1	ZINC000206125127	EG	Annotated	Mild	 
CC(C)(C)Oc1cnc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)c1	ZINC000206125218	EG	Annotated	Mild	 
CC(C)(C)Oc1cnc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1	ZINC000206125254	EG	Annotated	Mild	 
CC(C)(C)Oc1cncc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1	ZINC000206125279	EG	Annotated	Mild	 
CC(C)(C)Oc1nc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CC1	ZINC000206125304	EG	Annotated	Mild	 
CC(C)(C)Oc1cc(OC2CC2)c(B2OC(C)(C)C(C)(C)O2)cn1	ZINC000206125338	EG	Annotated	Mild	 
CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1OC1CC1	ZINC000206125374	EG	Annotated	Mild	 
CC(C)(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(OC2CC2)cn1	ZINC000206125409	EG	Annotated	Mild	 
CC(C)(C)Oc1ncc(OC2CC2)cc1B1OC(C)(C)C(C)(C)O1	ZINC000206125440	EG	Annotated	Mild	 
CC(C)(C)Oc1nccc(OC2CC2)c1B1OC(C)(C)C(C)(C)O1	ZINC000206125472	EG	Annotated	Mild	 
CC(C)(C)Oc1ccnc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1	ZINC000206125546	EG	Annotated	Mild	 
CC(C)(C)Oc1cncc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1	ZINC000206125584	EG	Annotated	Mild	 
CC(C)(C)Oc1nccc(B2OC(C)(C)C(C)(C)O2)c1OC1CC1	ZINC000206125621	EG	Annotated	Mild	 
CC(C)Oc1ncc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1	ZINC000206189810	EG	Annotated	Mild	 
CC1(C)OB(c2cc(C(F)(F)F)cnc2-n2cccc2)OC1(C)C	ZINC000206190206	EG	Annotated	Mild	 
COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NCc1ccccc1	ZINC000206190984	EG	Annotated	Mild	 
COc1ncc(NCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1	ZINC000206192096	EG	Annotated	Mild	 
CNc1nc(OCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1	ZINC000206194074	EG	Annotated	Mild	 
COc1nc(NCc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1	ZINC000206194552	EG	Annotated	Mild	 
CN(Cc1ccccc1)c1ncc(F)cc1B1OC(C)(C)C(C)(C)O1	ZINC000206198501	EG	Annotated	Mild	 
Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N(C)Cc1ccccc1	ZINC000206198874	EG	Annotated	Mild	 
Cc1cc(N(C)Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1	ZINC000206199451	EG	Annotated	Mild	 
Cc1nc(N(C)Cc2ccccc2)ccc1B1OC(C)(C)C(C)(C)O1	ZINC000206199960	EG	Annotated	Mild	 
Cc1cnc(N(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1	ZINC000206200494	EG	Annotated	Mild	 
CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NC1CC1	ZINC000206202010	EG	Annotated	Mild	 
CC(C)(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1N1CCCC1	ZINC000206202144	EG	Annotated	Mild	 
CC(C)CCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000206703740	EG	Annotated	Clean	
CCCCCc1cc(O)cc2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000206703805	EG	Annotated	Clean	
CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](O)c1cc(OC)nc2ccccc12	ZINC000206749656	EG	Annotated	Anodyne	 
CCOC(=O)[C@@H]1[C@@H](C)CO[C@@]12OC(=O)c1c2ccc2c(C)cccc12	ZINC000207036430	EG	Annotated	Anodyne	
CC1(C)OB(c2ccc(N(CCCl)CCCl)cc2)OC1(C)C	ZINC000207145297	EG	Annotated	Reactive	 
COC(=O)/C1=C/[C@@H]2[C@H](C[C@]3(C)O[C@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)O	ZINC000207150670	EG	Annotated	Anodyne	
N[C@@]1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1	ZINC000207269425	EG	Annotated	Anodyne	 
N[C@]1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1	ZINC000207269466	EG	Annotated	Anodyne	 
C/C1=C\[C@@H]2OC[C@](C)(O)/C2=C/C[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1	ZINC000207616541	EG	Annotated	Anodyne	
C=C1CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H](O)[C@](C)(O)CC[C@H]1O	ZINC000207616667	EG	Annotated	Mild	
CC(C)=C[C@H]1O[C@@]2(C)C[C@H](O)O[C@@]13[C@@H](C)[C@@H]1CC[C@H](C)[C@H]1C(=O)[C@@H]23	ZINC000207656279	EG	Annotated	Anodyne	
C=C[C@@](C)(O)C/C=C/[C@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1	ZINC000207657953	EG	Annotated	Mild	
Cc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1	ZINC000209106904	EG	Annotated	Reactive	 
CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(F)cc2)cc1	ZINC000209106948	EG	Annotated	Reactive	 
COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1	ZINC000209109423	EG	Annotated	Reactive	 
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2	ZINC000209138429	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@@H]1O)O2	ZINC000209138472	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CCO[C@H]1O)O2	ZINC000209138507	EG	Annotated	Anodyne	
C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1	ZINC000209681614	EG	Annotated	Anodyne	 
C[C@]12CCC[C@@](C)(C=O)[C@H]1CC(=O)c1cc3c(cc12)C(=O)C=CC3=O	ZINC000209689068	EG	Annotated	Mild	
COc1cc2c(cc1OC)/C(=N/Cc1ccc3c(c1)OCO3)CC2	ZINC000021029851	EG	Annotated	Mild	 
O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCCC1	ZINC000021033837	EG	Annotated	Anodyne	 
CCCCc1c(C)nc2nc(NCc3ccc(C)cc3)nn2c1O	ZINC000021178528	EG	Annotated	Anodyne	 
CCC[C@@](O)(CCN1CCOCC1)c1ccc(Br)cc1	ZINC000021348184	EG	Annotated	Anodyne	 
CCC[C@](O)(CCN1CCOCC1)c1ccc(Br)cc1	ZINC000021348191	EG	Annotated	Anodyne	 
CC(C)/C1=C/[C@H]2[C@@](C)(O)CC[C@]2(O)[C@@]2(C)CCC=C(CC1)C(=O)O2	ZINC000210241630	EG	Annotated	Anodyne	
Cc1cc(O)cc(Oc2cc(O)cc(C)c2C[C@H](O)C(C)(C)O)c1	ZINC000210356019	EG	Annotated	Anodyne	
C/C=C1\C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO	ZINC000210979935	EG	Annotated	Bother	
C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@H](O)[C@]2(C)CC[C@@H]1O2	ZINC000211906930	EG	Annotated	Mild	
OC[C@H](O)C#CC#CCCCCCCCC/C=C\Br	ZINC000212339485	EG	Annotated	Mild	
COc1c(OC(C)=O)cc2c3c(cc4ccccc4c13)N(C(C)=O)C2=O	ZINC000213202928	EG	Annotated	Bother	
CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@](C)(O)C2=CC(=O)C(C)(C)O2)C1	ZINC000214051406	EG	Annotated	Mild	
CCCOc1ccccc1N[C@H]1NC(=O)C[C@@H](c2ccccc2)N1	ZINC000214975698	EG	Annotated	Anodyne	 
CCCOc1ccccc1N[C@@H]1NC(=O)C[C@@H](c2ccccc2)N1	ZINC000214975748	EG	Annotated	Anodyne	 
CCCOc1ccccc1N[C@H]1NC(=O)C[C@H](c2ccccc2)N1	ZINC000214975797	EG	Annotated	Anodyne	 
CCCOc1ccccc1N[C@@H]1NC(=O)C[C@H](c2ccccc2)N1	ZINC000214975836	EG	Annotated	Anodyne	 
CCCCN1CCc2nc(Nc3ccc4c(c3)OCCO4)ncc2C1	ZINC000021639840	EG	Annotated	Anodyne	 
CCOCCCNCc1cccn1-c1sc(C)c(C)c1C(=O)O	ZINC000021935429	EG	Annotated	Anodyne	 
C#CCSc1nc(Cl)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000215975965	EG	Annotated	Mild	 
Cc1c(C(=O)Nc2ccc(F)cc2Cl)n[nH]c1[Si](C)(C)C	ZINC000216557894	EG	Annotated	Anodyne	 
C=CC(=C)[C@H]1[C@@H]2CC(=O)O[C@@H](CC=C(C)C)C2=CO[C@@H]1OC(C)=O	ZINC000217017487	EG	Annotated	Mild	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(O)cc2)n1	ZINC000218478306	EG	Annotated	Anodyne	 
Nc1cnc(-c2ccc(-c3cccnc3N3CCCC3=O)cc2F)cn1	ZINC000218629325	EG	Annotated	Anodyne	 
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(-c3ccccc3)cn2c1	ZINC000218633353	EG	Annotated	Anodyne	 
O=C(N[C@H]1CN2CCC1CC2)c1cc2c(-c3ccccc3)cccn2c1	ZINC000218633445	EG	Annotated	Anodyne	 
O=C(N[C@H]1CN2CCC1CC2)c1cc2cc(-c3ccccc3)ccn2c1	ZINC000218633548	EG	Annotated	Anodyne	 
O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccccc3)n2c1	ZINC000218947868	EG	Annotated	Anodyne	 
C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@@H]2O[C@]2(C)CC[C@H]1O	ZINC000219053292	EG	Annotated	Mild	
C=C1CCC2=C(C)CO[C@H]2/C=C(/C)CC[C@@H](O)[C@](C)(O)CC[C@H]1O	ZINC000219054554	EG	Annotated	Mild	
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1	ZINC000219286690	EG	Annotated	Mild	 
CCOCc1[nH]nc2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12	ZINC000219752820	EG	Annotated	Anodyne	 
O=C(NCC1CCC1)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1	ZINC000219757863	EG	Annotated	Anodyne	 
C[C@@H](NC(=O)Nc1cc2n[nH]c(C(F)F)c2cn1)c1ccccn1	ZINC000219766448	EG	Annotated	Anodyne	 
CC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)C[C@@H]1C=C(Cl)Cl	ZINC000022015640	EG	Annotated	Anodyne	 
CC(=O)[C@@H]1C(=O)C[C@](O)(c2ccccc2)C[C@H]1C=C(Cl)Cl	ZINC000022015648	EG	Annotated	Anodyne	 
Cc1cc(O)c(C2=NCCS[C@@H](c3cccc(F)c3)C2)c(=O)o1	ZINC000022018202	EG	Annotated	Anodyne	 
Cc1cc(O)c(C2=NCCS[C@H](c3cccc(F)c3)C2)c(=O)o1	ZINC000022018206	EG	Annotated	Anodyne	 
C=C[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022452391	EG	Annotated	Mild	
C=C[C@@H](CO)N1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022452396	EG	Annotated	Mild	
CN(C)CCN(Cc1ccccc1)Cc1coc2ccccc2c1=O	ZINC000022455673	EG	Annotated	Anodyne	 
COCCOc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1	ZINC000220385122	EG	Annotated	Anodyne	 
C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3	ZINC000220512710	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cscn2)n1	ZINC000220654458	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cscn2)n1	ZINC000220669689	EG	Annotated	Anodyne	 
C[C@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1cccc(F)c1F	ZINC000220700727	EG	Annotated	Anodyne	 
CC(C)CCC[C@]1(C)CCc2cc(S(N)(=O)=O)cc(F)c2O1	ZINC000220737626	EG	Annotated	Anodyne	 
CC(C)CCC[C@@]1(C)CCc2cc(S(N)(=O)=O)cc(F)c2O1	ZINC000220737696	EG	Annotated	Anodyne	 
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1n[nH]c2ccccc12	ZINC000220740873	EG	Annotated	Anodyne	 
COC(=O)c1ccc(-c2ccc(CN3CCCN(C)CC3)cc2)cc1	ZINC000220945801	EG	Annotated	Anodyne	 
O=Cc1c(O)ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12	ZINC000221062913	EG	Annotated	Anodyne	 
N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)c(F)c2)n1	ZINC000221070536	EG	Annotated	Mild	 
N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(Cl)c2)n1	ZINC000221120225	EG	Annotated	Mild	 
N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1	ZINC000221194273	EG	Annotated	Mild	 
N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1	ZINC000221194330	EG	Annotated	Mild	 
N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1	ZINC000221194441	EG	Annotated	Mild	 
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2Cc2ccccc2)n1)C1CC1	ZINC000221306768	EG	Annotated	Anodyne	 
O=c1ccn(-c2cc(-c3cccc(C(F)(F)F)n3)ccn2)cc1O	ZINC000221456785	EG	Annotated	Anodyne	 
Cc1csc2c(OC[C@@H]3CCCN3)nc(-c3ccncc3)nc12	ZINC000221523746	EG	Annotated	Anodyne	 
CN[C@@H]1CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O[C@H]1OC	ZINC000221705801	EG	Annotated	Anodyne	 
CN[C@@H]1CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O[C@H]1OC	ZINC000221705858	EG	Annotated	Anodyne	 
CC(C)(C)n1nc(-c2cnc3cc(Cl)ccc3c2)c(C(N)=O)c1N	ZINC000221716810	EG	Annotated	Anodyne	 
CCc1ccc2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)cnc2c1	ZINC000221717066	EG	Annotated	Anodyne	 
Cc1cc(=O)n2c(c1C1CC1)SC[C@H]2C(=O)Nc1ccccc1	ZINC000221748229	EG	Annotated	Anodyne	 
Nc1nc(-c2cc(Br)cc3ccoc23)c2[nH]cnc2n1	ZINC000221806290	EG	Annotated	Anodyne	in-vitro
N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2cncc(Cl)c2)n1	ZINC000221830996	EG	Annotated	Mild	 
CCCNc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C	ZINC000222360358	EG	Annotated	Anodyne	 
CCCCNc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1C	ZINC000222435568	EG	Annotated	Anodyne	 
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N)cc2)n1	ZINC000222600844	EG	Annotated	Anodyne	 
CC(C)(Oc1ccc(-n2nc3ccc(Cl)cc3n2)cc1)C(=O)O	ZINC000222640326	EG	Annotated	Anodyne	 
Nc1nc(=O)c2c(CCc3ccccc3)c(-c3ccccc3)[nH]c2[nH]1	ZINC000222801484	EG	Annotated	Anodyne	in-vitro
COc1nn2cc(-c3cc4ccc(OC)c(OC)c4o3)nc2s1	ZINC000223067647	EG	Annotated	Anodyne	 
C=C[C@@](C)(O)C[C@@H](/C=C(\C)[C@@H](CC=C(C)C)OC(C)=O)OC(C)=O	ZINC000223529715	EG	Annotated	Mild	
C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3	ZINC000223660419	EG	Annotated	Anodyne	 
C[C@@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3	ZINC000223661762	EG	Annotated	Anodyne	 
N[C@H]1C[C@@H]1Nc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3	ZINC000223665696	EG	Annotated	Anodyne	 
Clc1cnccc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1	ZINC000223667455	EG	Annotated	Anodyne	 
C[C@H](N)CNc1nc(-c2ccncc2)nc2c1sc1ncccc12	ZINC000223668585	EG	Annotated	Anodyne	 
C[C@@H](N)CNc1nc(-c2ccncc2)nc2c1sc1ncccc12	ZINC000223669611	EG	Annotated	Anodyne	 
NCCNc1nc(-c2ccncc2F)nc2sc3c(c12)CCCC3	ZINC000223674674	EG	Annotated	Anodyne	 
CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@@H](C)N)c12	ZINC000223685525	EG	Annotated	Anodyne	 
CCc1c(C)sc2nc(-c3ccncc3)nc(NC[C@H](C)N)c12	ZINC000223685686	EG	Annotated	Anodyne	 
CC(C)(C)c1cc2nc(-c3ccncc3)nc(NCCN)c2s1	ZINC000223687471	EG	Annotated	Anodyne	 
NC(=O)c1ccc(-c2cnc3ccc(Cc4ccccc4)nn23)cc1	ZINC000223803082	EG	Annotated	Anodyne	 
CC(=O)Nc1cccc(-c2cnc3ccc(-c4cccnc4)nn23)c1	ZINC000223803187	EG	Annotated	Anodyne	 
CCCc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1	ZINC000224546230	EG	Annotated	Anodyne	 
CN(C)CCCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F	ZINC000224549014	EG	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H]3CCNC3)c2F)cn1	ZINC000224557133	EG	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H]3CCNC3)c2F)cn1	ZINC000224557174	EG	Annotated	Anodyne	 
Nc1cnc(-c2ccc(C3CCC3)c(OCCCC(=O)O)c2F)cn1	ZINC000224563429	EG	Annotated	Anodyne	 
CN(C)CCOc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F	ZINC000224565438	EG	Annotated	Anodyne	 
C[S@@](=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1	ZINC000224762873	EG	Annotated	Anodyne	 
C[S@](=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1	ZINC000224762920	EG	Annotated	Anodyne	 
Nc1ncc(-c2ccc(-c3ccccc3Oc3ncccn3)cn2)cn1	ZINC000224768188	EG	Annotated	Anodyne	 
Nc1cnc(-c2ccc(-c3ccccc3N3CCNC3=O)cc2F)cn1	ZINC000224808922	EG	Annotated	Anodyne	 
Cc1cc(-c2ccccc2S(C)(=O)=O)ccc1-c1cnc(N)cn1	ZINC000224823591	EG	Annotated	Anodyne	 
C=C[C@H](CO)N1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000022782509	EG	Annotated	Mild	
CC(C)CCN1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO	ZINC000022852911	EG	Annotated	Anodyne	 
CNC1CN([C@@H]2c3ccccc3CSc3ccc(OC)cc32)C1	ZINC000022861929	EG	Annotated	Anodyne	 
CNC1CN([C@H]2c3ccccc3CSc3ccc(OC)cc32)C1	ZINC000022861932	EG	Annotated	Anodyne	 
CN1CCN(Cc2ccc(C(=S)Nc3ccccc3)s2)CC1	ZINC000022873499	EG	Annotated	Anodyne	
CC(C)=CCN1CCN(Cc2nc(C(C)C)cs2)C[C@H]1CCO	ZINC000022909971	EG	Annotated	Anodyne	 
CCN(CC)[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1	ZINC000022910542	EG	Annotated	Anodyne	 
CCN(CC)[C@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1	ZINC000022910545	EG	Annotated	Anodyne	 
Cc1c(CN2CCN(CC(C)(C)C)[C@@H](CCO)C2)[nH]c2ccccc12	ZINC000022913340	EG	Annotated	Anodyne	 
OCC[C@@H]1CN(C2C3CC4CC(C3)CC2C4)CCN1C1CCCC1	ZINC000022913695	EG	Annotated	Anodyne	 
CCN1CCN([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1	ZINC000022925243	EG	Annotated	Anodyne	
CCN1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1	ZINC000022925248	EG	Annotated	Anodyne	
CC(C)=CCN1CCN(Cc2nc(C(C)C)cs2)C[C@@H]1CCO	ZINC000022932608	EG	Annotated	Anodyne	 
OCC[C@@H]1CN(Cc2c(F)cccc2Cl)CCN1C1CCCC1	ZINC000022932895	EG	Annotated	Anodyne	 
OCC[C@H]1CN(Cc2c(F)cccc2Cl)CCN1C1CCCC1	ZINC000022932896	EG	Annotated	Anodyne	 
COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CN(C)CCO3)cc12	ZINC000226048823	EG	Annotated	Anodyne	 
COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CN(C)CCO3)cc12	ZINC000226048835	EG	Annotated	Anodyne	 
COc1cc(F)ccc1-c1ccnc2[nH]c([C@@H]3CN(C)CCO3)cc12	ZINC000226055477	EG	Annotated	Anodyne	 
COc1cc(F)ccc1-c1ccnc2[nH]c([C@H]3CN(C)CCO3)cc12	ZINC000226055492	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(F)cc2)cc1	ZINC000226682897	EG	Annotated	Anodyne	 
O=c1cc([C@@H]2CCCNC2)nc(Cc2c(Cl)cccc2Cl)[nH]1	ZINC000023128577	EG	Annotated	Anodyne	 
O=c1cc([C@H]2CCCNC2)nc(Cc2c(Cl)cccc2Cl)[nH]1	ZINC000023128578	EG	Annotated	Anodyne	 
Cc1ccc2c(C)c(C(=O)NCC(C)(C)N3CCOCC3)oc2c1C	ZINC000023129856	EG	Annotated	Anodyne	 
c1ccc(Cc2cn(C3CCN(Cc4nccs4)CC3)nn2)cc1	ZINC000023153304	EG	Annotated	Anodyne	 
CCC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)nc3C)c2C1	ZINC000023153322	EG	Annotated	Anodyne	 
CN(C/C=C/c1ccccc1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O	ZINC000023192607	EG	Annotated	Anodyne	 
CCOc1ccccc1-c1[nH]nc2c1CN(Cc1nccs1)CC2	ZINC000023192721	EG	Annotated	Anodyne	 
c1ccc(-n2nccc2CN2CCC(n3cc(C4CC4)nn3)CC2)cc1	ZINC000023214884	EG	Annotated	Anodyne	 
CCCCn1nnnc1NC(=O)N(C)[C@@H]1CCCc2ccccc21	ZINC000023250734	EG	Annotated	Anodyne	 
CCCCn1nnnc1NC(=O)N(C)[C@H]1CCCc2ccccc21	ZINC000023250737	EG	Annotated	Anodyne	 
Cc1ccc(-c2cn(C3CCN(Cc4nc[nH]c4C)CC3)nn2)cc1	ZINC000023251522	EG	Annotated	Anodyne	 
O=c1c(CN(CCO)Cc2ccccc2)coc2ccc(Cl)cc12	ZINC000023282177	EG	Annotated	Anodyne	 
CC(C)Cc1n[nH]c(/N=C(\O)N(C)Cc2cnc3ccccc3c2)n1	ZINC000023311538	EG	Annotated	Mild	 
O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@@H]2CCCN2)s1	ZINC000023337499	EG	Annotated	Anodyne	 
O=C(Nc1ccc2c(c1)OCCO2)c1ccc([C@H]2CCCN2)s1	ZINC000023337501	EG	Annotated	Anodyne	 
CCOC(=O)N1CCC(N2CCO[C@@H](CC3CCCCC3)C2)CC1	ZINC000023337662	EG	Annotated	Anodyne	 
CCOC(=O)N1CCC(N2CCO[C@H](CC3CCCCC3)C2)CC1	ZINC000023337664	EG	Annotated	Anodyne	 
OCc1ccc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)o1	ZINC000023339313	EG	Annotated	Anodyne	 
COCCN1CCC[C@@]2(CCN(C/C=C/c3ccc(F)cc3)C2)C1	ZINC000023368559	EG	Annotated	Anodyne	 
COCCN1CCC[C@]2(CCN(C/C=C/c3ccc(F)cc3)C2)C1	ZINC000023368563	EG	Annotated	Anodyne	 
COC(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1	ZINC000023380111	EG	Annotated	Anodyne	 
O/C(=N\c1nc(C2CCCCC2)n[nH]1)N1CCOC2(CCCC2)C1	ZINC000023429281	EG	Annotated	Mild	 
CN1CCC(c2cc(=O)[nH]c(C34CC5CC(CC(C5)C3)C4)n2)CC1	ZINC000023429588	EG	Annotated	Anodyne	 
Cc1cnc(NCc2nc3c(s2)CCCC3)nc1-c1cnn(C)c1	ZINC000023430292	EG	Annotated	Anodyne	 
COc1ccc(-c2cccc(-c3ccn(Cc4cc(C)on4)n3)c2)nn1	ZINC000023430605	EG	Annotated	Anodyne	 
C/C=C1\[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000230067543	EG	Annotated	Anodyne	in-man endogenous
CC[C@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000230067557	EG	Annotated	Anodyne	in-man
CC[C@@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000230067564	EG	Annotated	Anodyne	in-man endogenous
COc1ccc([C@H](O[C@H](C)[C@H](O)c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000230086057	EG	Annotated	Anodyne	in-man
COc1ccc([C@H](O[C@H](C)[C@@H](O)c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000230086062	EG	Annotated	Anodyne	in-man
COc1ccc([C@H](O)[C@H](C)O[C@@H](c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000230086070	EG	Annotated	Anodyne	in-man
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000230086670	EG	Annotated	Mild	in-man
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000230088063	EG	Annotated	Mild	in-man
C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000230088073	EG	Annotated	Mild	in-man
C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@H]2[C@@H](C)O	ZINC000230095937	EG	Annotated	Mild	in-man
C=C1[C@@H](OC(=O)CC(C)C)C[C@H](C(C)C)[C@@H]2[C@@H]1CC(=O)[C@H]2[C@@H](C)O	ZINC000230095943	EG	Annotated	Mild	in-man
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2N	ZINC000230104427	EG	Annotated	Clean	in-man
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2N	ZINC000230104435	EG	Annotated	Clean	in-man
OC1CC([C@@H](NC2CCC3(CCNCC3)CC2)c2ccccc2)C1	ZINC000230470658	EG	Annotated	Anodyne	 
Cc1nc(N[C@@H](Cc2ccccn2)C2CC(O)C2)c2ccsc2n1	ZINC000230512895	EG	Annotated	Anodyne	 
CC(C)c1cc(C(=O)N[C@H](Cc2ccncc2)C2CC(O)C2)cs1	ZINC000230564898	EG	Annotated	Anodyne	 
COc1ccccc1CNc1cc(C2CC2)nc(-c2nccn2C)n1	ZINC000230566168	EG	Annotated	Anodyne	 
COc1ccc(CNc2cc(C3CC3)nc(-c3nccn3C)n2)cc1	ZINC000230566201	EG	Annotated	Anodyne	 
Cn1cncc1CN1CCC2(CC1)CO[C@@H](Cc1ccccc1)C2	ZINC000230566678	EG	Annotated	Anodyne	 
Cn1cncc1CN1CCC2(CC1)CO[C@H](Cc1ccccc1)C2	ZINC000230566694	EG	Annotated	Anodyne	 
OC1CC([C@@H](NC2CCN(Cc3ccco3)CC2)c2cccs2)C1	ZINC000230588778	EG	Annotated	Anodyne	 
CC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1	ZINC000231217056	EG	Annotated	Anodyne	in-vitro
N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@@H]21	ZINC000231376711	EG	Annotated	Mild	 
N#CC1(C#N)c2c([nH]c3ccccc23)O[C@H]2c3ccccc3C(=O)[C@@H]21	ZINC000231376736	EG	Annotated	Mild	 
N#CC1(C#N)c2c([nH]c3ccccc23)O[C@@H]2c3ccccc3C(=O)[C@H]21	ZINC000231376766	EG	Annotated	Mild	 
N#CC1(C#N)c2c([nH]c3ccccc23)O[C@H]2c3ccccc3C(=O)[C@H]21	ZINC000231376796	EG	Annotated	Mild	 
CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1	ZINC000231931090	EG	Annotated	Anodyne	
CC/C=C\C[C@H]1/C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1	ZINC000231931094	EG	Annotated	Anodyne	
CC/C=C\C[C@H]1/C=C/[C@H]2[C@H](O)C[C@H](O)[C@@H]2C/C=C/CCCC(=O)O1	ZINC000231931097	EG	Annotated	Anodyne	
Oc1cc(CCc2cc(Cl)no2)nc2nc(C3CCCCC3)nn12	ZINC000023542729	EG	Annotated	Anodyne	 
Cc1cnc(NCCN2CCCc3ccccc32)nc1-c1cnn(C)c1	ZINC000023580567	EG	Annotated	Anodyne	 
O=c1cc(N2CCCC2)cnn1Cc1cc(F)cc(C(F)(F)F)c1	ZINC000023581078	EG	Annotated	Anodyne	 
O=C1CCCc2occ(-c3cc(O)n4nc(-c5ccccc5)nc4n3)c21	ZINC000023581188	EG	Annotated	Anodyne	 
Cc1ccc([C@@H](C)NC(=O)Nc2nnc(-c3ccco3)s2)cn1	ZINC000023581328	EG	Annotated	Anodyne	 
Cc1ccc([C@H](C)NC(=O)Nc2nnc(-c3ccco3)s2)cn1	ZINC000023581329	EG	Annotated	Anodyne	 
Cc1ncsc1CCN(C)/C(O)=N/c1nc(C2CCCCC2)n[nH]1	ZINC000023581413	EG	Annotated	Mild	 
CCCNC(=O)N1CCC(n2cc(-c3ccccc3Cl)nn2)CC1	ZINC000023581557	EG	Annotated	Anodyne	 
Cc1noc(C)c1CCC(=O)N1CCc2[nH]nc(CCC(C)C)c2C1	ZINC000023619306	EG	Annotated	Anodyne	 
O=C(Nc1cccs1)N1CCC(Cn2cc(C3CC3)nn2)CC1	ZINC000023619628	EG	Annotated	Anodyne	 
Cc1ccc(CCNC(=O)Nc2n[nH]c(-c3ccccc3F)n2)cc1	ZINC000023619706	EG	Annotated	Anodyne	 
OC1(c2cn(CC3CCN(Cc4ccsc4)CC3)nn2)CCCC1	ZINC000023620193	EG	Annotated	Anodyne	 
CC(C)[C@H]1/C=C/[C@@](C)(O)CC(=O)C[C@@]2(C)CC[C@@H](O2)[C@](C)(O)CC1	ZINC000238730695	EG	Annotated	Anodyne	
CC(=O)O/C=C(\C)C1=C[C@@]2(C)C(=CC1=O)[C@H](OC(C)=O)CC[C@@H]2C	ZINC000238730895	EG	Annotated	Mild	
COc1c2c(cc3c1CCCN1CCC4=CC[C@H](OC)C[C@]431)CC2	ZINC000238731014	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)C[C@H](O)C[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21	ZINC000238731123	EG	Annotated	Anodyne	
C[C@]12C[C@@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32	ZINC000238731274	EG	Annotated	Mild	
CC1=C[C@@H](O)C[C@@H]2[C@@]1(C)C(=O)C[C@@H](C)[C@@]2(C)CCC1=CC(=O)OC1	ZINC000238731474	EG	Annotated	Anodyne	
C=C[C@](C)(O)CC/C=C(\C)C[C@@H](/C=C(/C)COC(C)=O)OC(C)=O	ZINC000238731512	EG	Annotated	Mild	
CC(=O)O[C@@H]1[C@H](OC(C)=O)C(C)=CC[C@@]12C(=C(C)C)C(=O)C[C@H]2C	ZINC000238731647	EG	Annotated	Mild	
C[n+]1c(N)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3	ZINC000238731670	EG	Annotated	Bother	
C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1C(=O)OC	ZINC000238731732	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H](O)[C@@H]1C3	ZINC000238731785	EG	Annotated	Mild	
CC(C)C1=C[C@@H]2C(=O)C[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)[C@H]2CC1	ZINC000238732042	EG	Annotated	Anodyne	
C=C1[C@H]2CC[C@@]3([C@@H](O)C[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]3C2)[C@H]1O	ZINC000238732062	EG	Annotated	Mild	
COc1cc2c3c(c1O)[C@H]([C@@H]1C=CC(=O)CC1)CC[C@H]3N(C)CC2	ZINC000238732294	EG	Annotated	Mild	
CC[C@@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@@H]2[C@H]1C[C@@H](O)[C@@H]2O	ZINC000238732339	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2C/C(C)=C\C/C=C(\C)[C@H](O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	ZINC000238732432	EG	Annotated	Mild	
CC1=C2[C@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)CC[C@]53C)O[C@H]24)OC1=O	ZINC000238732633	EG	Annotated	Anodyne	
COc1ccc2c(c1O)-c1c(O)c(OC)cc3c1[C@@H](C2)C[N+](C)(C)C3	ZINC000238732662	EG	Annotated	Bother	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]21)[C@]1(CO)O[C@H]31	ZINC000238732731	EG	Annotated	Anodyne	
C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@H]2C[C@@H]2/C=C(\C)C(=O)OC)CC1=O	ZINC000238732765	EG	Annotated	Mild	
C=C1[C@H](OC(=O)C=C(C)C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12	ZINC000238733092	EG	Annotated	Mild	
C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CC[C@@H]1O2	ZINC000238733116	EG	Annotated	Mild	
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CC[C@H]1CCN3CCC2	ZINC000238733131	EG	Annotated	Anodyne	
CC(C)=C/C=C1/O[C@H]2CC(C)=CC(=O)[C@@]2(OC(=O)CC(C)C)[C@@]1(C)O	ZINC000238733248	EG	Annotated	Mild	
CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@H]1C=O	ZINC000238733276	EG	Annotated	Mild	
CCc1ccc2c(O)c3c(c(O)c2c1)C(=O)[C@@H]1C=CC=C(O)[C@@H]1C3=O	ZINC000238733308	EG	Annotated	Clean	
C[C@@H]1CC[C@H]2[C@H](C[C@@H]3C[C@@]2(O)C2=CC(=O)[C@H]4CCCC[C@@H]4[C@H]23)N1C	ZINC000238733401	EG	Annotated	Mild	
CC(=O)O[C@H]1C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]2CC[C@@H]3C[C@]12[C@H]1O[C@@H]31	ZINC000238733412	EG	Annotated	Anodyne	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CC[C@H](OC(=O)C(C)C)[C@H]1C2=O	ZINC000238734137	EG	Annotated	Anodyne	
C[C@@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C\O)[C@]3(C)CC[C@@H]2C1	ZINC000238734139	EG	Annotated	Mild	
C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC(=O)C[C@@](C)(O)CC[C@@H]1O	ZINC000238734183	EG	Annotated	Mild	
CC(C)(O)CCC[C@H]1C(=O)CC[C@H]2C[C@@](C)([C@H](O)CO)CC[C@@]21C	ZINC000238734204	EG	Annotated	Anodyne	
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)C2=C(O)C1=O	ZINC000238734620	EG	Annotated	Mild	
C=CC1=C2C(=O)CC[C@@H]3CN4C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]2(CC1)C5=O	ZINC000238734678	EG	Annotated	Mild	
C=C1[C@@H]2CC(=O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O	ZINC000238734832	EG	Annotated	Mild	
COc1cc2nc3occc3c(OC)c2c2c1CO[C@@H]2C(C)(C)O	ZINC000238734838	EG	Annotated	Anodyne	
C=C1[C@H]2CC[C@]3(O)[C@H]4C[C@H]5[C@@]6(C(=O)CC[C@@]5(C)CN(CC)[C@H]46)[C@H](C2)[C@H]13	ZINC000238734869	EG	Annotated	Mild	
COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@]45C[C@@]3(CC[C@H]12)C[C@@]4(O)CO5	ZINC000238735062	EG	Annotated	Anodyne	
C=C(C)[C@H]1CC2=C(C)C(=O)[C@H](O)[C@@H]2[C@H](C)C[C@H]1OC(=O)CC(C)C	ZINC000238735127	EG	Annotated	Mild	
CC[C@@H]1C[C@@H]2N3CCc4c([nH]c5ccccc45)[C@]2(C(=O)OC)C[C@@H]1C3	ZINC000238735252	EG	Annotated	Anodyne	
C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@H]1OC(=O)/C(C)=C\C	ZINC000238735258	EG	Annotated	Mild	
CC(C)=C[C@H](O)C/C(=C/COc1cc(=O)oc2cccc(C)c12)CO	ZINC000238735385	EG	Annotated	Anodyne	
CCCC(=O)O[C@H]1CCC2=CC(=O)C([C@@H](C)C(=O)O)=C[C@]2(C)[C@H]1C	ZINC000238735401	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@]24O[C@H]4[C@@H]1CC3	ZINC000238735530	EG	Annotated	Mild	
C=C(C)[C@H]1Oc2ccc(C(C)=O)cc2[C@@H]1OC(=O)C[C@](C)(O)CC	ZINC000238735609	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC2=C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1	ZINC000238735641	EG	Annotated	Anodyne	
C/C(=C\COc1cc(=O)oc2cccc(C)c12)[C@H]1C[C@@H](O)C(C)(C)O1	ZINC000238735764	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)O[C@]12O[C@H]1C[C@]1(C)Cc3occ(C)c3C[C@H]1[C@]2(C)O	ZINC000238735804	EG	Annotated	Anodyne	
CC1=C2[C@@H](C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)CC[C@]53C)O[C@H]24)OC1=O	ZINC000238736044	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2C/C(C)=C/CC[C@@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12	ZINC000238736251	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@]2(O)C1	ZINC000238736452	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@H]1CC2=C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1	ZINC000238736472	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(O)C[C@H]2CCC[C@H](C)[C@]21C	ZINC000238736525	EG	Annotated	Anodyne	
CN1CC[C@]23c4ccccc4N[C@@H]4N(C)CC[C@@]42c2ccccc2N[C@H]13	ZINC000238736547	EG	Annotated	Anodyne	
C[C@H]1C(=O)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]1(O)CCC1=CC(=O)OC1	ZINC000238736548	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)Oc1c(O)ccc(CCN(C)C)c1CC2	ZINC000238736579	EG	Annotated	Anodyne	
C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@H]15	ZINC000238736611	EG	Annotated	Mild	
C=C[C@]1(C)CC[C@]2(C)[C@H](C1)C(=O)[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]12OC3=O	ZINC000238736617	EG	Annotated	Mild	
C[N+]1=Cc2c(ccc3c2OCO3)[C@@H]2C=Cc3cc4c(cc3[C@@H]21)OCO4	ZINC000238736786	EG	Annotated	Anodyne	
C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3=O	ZINC000238737087	EG	Annotated	Anodyne	
C/C=C1/CN2C[C@H]3c4c([nH]c5ccc(O)cc45)[C@@H]2C[C@@H]1[C@@H]3C(=O)OC	ZINC000238737264	EG	Annotated	Anodyne	
CC(C)[C@]12/C=C/[C@](C)(O)C/C=C/[C@](C)(O)CC/C=C(\CC1)C(=O)O2	ZINC000238737468	EG	Annotated	Anodyne	
C/C(=C\C[C@@H](O)/C(C)=C/CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O	ZINC000238737599	EG	Annotated	Anodyne	
Cc1nc2c(c(-c3ccccc3C(F)(F)F)c1C(=O)O)C(=O)OC2	ZINC000238737617	EG	Annotated	Anodyne	
CC(C)=C[C@@H]1OC(=O)/C(=C/CC/C(C)=C\CCC2=CC(=O)OC2)[C@@H]1O	ZINC000238737723	EG	Annotated	Anodyne	
C=C1C[C@]23CC[C@@]1(O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000238737798	EG	Annotated	Mild	
C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]12)[C@@](O)(CO)C3	ZINC000238738027	EG	Annotated	Anodyne	
CC1(C)CCC[C@]2(C)[C@@H]3C=C4OC(=O)C(CO)=C4[C@@H]4O[C@@]43CC[C@H]12	ZINC000238738060	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H](OC(=O)C=C(C)C)[C@H]12	ZINC000238738086	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O	ZINC000238738112	EG	Annotated	Mild	
C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000238738135	EG	Annotated	Anodyne	
C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@@H]12	ZINC000238738138	EG	Annotated	Mild	
CC(C)C1=CC2=C[C@@H](O)[C@@H]3C(C)(C)C[C@@H](O)C[C@@]3(C)C2=C(O)C1=O	ZINC000238738272	EG	Annotated	Mild	
C[C@@]12C[C@@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)[C@@H]2[C@@H]2C=C[C@H]1C(=O)O2	ZINC000238738693	EG	Annotated	Anodyne	
C=C1CC[C@@H](C(C)C)/C=C/[C@@](C)(O)CC(=O)C[C@](C)(O)CC[C@@H]1O	ZINC000238738747	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@H]2[C@@H](C[C@@H](C)[C@H]13)OC(=O)[C@@H]2C	ZINC000238738817	EG	Annotated	Anodyne	
C=C(C)[C@H]1C[C@]2(C)[C@H](CC(=O)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000238738818	EG	Annotated	Mild	
C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2	ZINC000238738819	EG	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)[C@H]4COC(=O)[C@@]4(O)C(C)(C)[C@@H]3CC[C@@]2(C)O1	ZINC000238738956	EG	Annotated	Mild	
COc1ccc(C(=O)O[C@H](C(C)C)[C@@H]2C=C(C)[C@]3(O)C[C@]23C)cc1O	ZINC000238739185	EG	Annotated	Anodyne	
CC(C)=CCC[C@H](C)[C@H]1C2=C(C(=O)O[C@@H]2O)[C@H]2C[C@H]2[C@H](C)C[C@H]1O	ZINC000238739401	EG	Annotated	Anodyne	
C/C(=C/CO)CC/C=C(\CO)CC/C=C(\C)CCC(=O)C(C)(C)O	ZINC000238739825	EG	Annotated	Anodyne	
C[C@@]12[C@@H](O)CC[C@@](C)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3	ZINC000238739895	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000238740151	EG	Annotated	Mild	
CC(C)=CC(=O)O[C@@H]1C[C@H](O)[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C	ZINC000238740294	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@@H]1CC[C@H]5[C@]4(C)C(=O)O3	ZINC000238740436	EG	Annotated	Anodyne	
C=C1C[C@]2(C(=O)O)C[C@H]1CC[C@@]2(C)[C@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12	ZINC000238740740	EG	Annotated	Reactive	
CC[C@@H]1C[C@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@@H]24	ZINC000238740906	EG	Annotated	Anodyne	
C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O	ZINC000238740930	EG	Annotated	Mild	
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4C(=O)[C@@H]3CC[C@@]12O	ZINC000238741033	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2C3=C(C)C(=O)C=C[C@]3(C)CC[C@H]21	ZINC000238741088	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@H](C[C@H](O)C[C@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000238741334	EG	Annotated	Mild	
C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(CO)CCCC(C)(C)[C@H]1CC2	ZINC000238741343	EG	Annotated	Clean	
CC1(C)CCc2c(cc3oc4c(O)c(O)ccc4c(=O)c3c2O)O1	ZINC000238741365	EG	Annotated	Clean	
COc1c2c(nc3occc13)C(=N)C[C@H]1C(C)(C)CC(=O)[C@@]21OC	ZINC000238741535	EG	Annotated	Anodyne	
C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2CC[C@@H](O)[C@H](C)[C@]21C	ZINC000238741590	EG	Annotated	Mild	
C=C[C@@H](O)C#CC#CC[C@@H](O)[C@H](O)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)[C@@H](C)CC	ZINC000238741598	EG	Annotated	Mild	
COc1ccc2c(c1)-c1c(OC)cccc1[C@H]1[C@@H]2[C@H](O)CCN1C	ZINC000238741722	EG	Annotated	Anodyne	
C=C/C(C)=C1\O[C@]2(C)CC[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O	ZINC000238741852	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]12	ZINC000238741853	EG	Annotated	Anodyne	
Cc1occc1[C@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000238741974	EG	Annotated	Anodyne	
CC(C)c1cc(C=O)c2c(c1O)O[C@H](O)[C@H]1C(C)(C)C[C@H](O)C[C@]21C	ZINC000238742041	EG	Annotated	Anodyne	
CC(C)=CC(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21	ZINC000238742144	EG	Annotated	Mild	
C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@@H](O)C1=O	ZINC000238742166	EG	Annotated	Mild	
C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)COC(=O)[C@@H]12	ZINC000238742366	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1O	ZINC000238742468	EG	Annotated	Mild	
CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C	ZINC000238742681	EG	Annotated	Anodyne	
CC[C@H]1OC(=O)CCC/C=C\C/C=C\C/C=C\[C@H]2[C@H](O)[C@@H](O)C[C@H]12	ZINC000238742881	EG	Annotated	Anodyne	
C[C@H]1CO[C@]2(C)OC3=C(C[C@H]12)C(=O)C1=C(C3)O[C@@]2(C)OC[C@H](C)[C@H]2C1	ZINC000238743101	EG	Annotated	Mild	
C[C@H]1C[C@@H]2OC(=O)[C@@]3(O)C=CC[C@H]([C@@]23C)[C@]1(C)CCc1ccoc1	ZINC000238743360	EG	Annotated	Anodyne	
CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](OC(=O)CC(C)C)C[C@@H](O)C3(C)C	ZINC000238743448	EG	Annotated	Mild	
C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2	ZINC000238743550	EG	Annotated	Clean	
C[C@@H]1CC(=O)[C@]2(C)[C@H](CC[C@@H]3O[C@@]32C)[C@]1(C)CCC1=CC(=O)OC1	ZINC000238743558	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@@H]4OC[C@]5(O)C[C@@]3(CC[C@H]12)C[C@H]45	ZINC000238743583	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@@](C)(O)CC[C@@H]3O[C@@]3(C)CC[C@@H]12	ZINC000238743620	EG	Annotated	Mild	
C=C1CC[C@@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O	ZINC000238743768	EG	Annotated	Mild	
CC(=O)O[C@@H]1CC[C@@H](C)[C@]2(C)[C@@H](OC(C)=O)c3c(C)coc3C(=O)[C@@H]12	ZINC000238743828	EG	Annotated	Anodyne	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)O	ZINC000238743864	EG	Annotated	Mild	
CC(C)[C@]1(O)CC2=CC[C@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O	ZINC000238743997	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)OC[C@@]1(c2ccc(C)cc2OC(=O)C(C)C)CO1	ZINC000238744049	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(C)C[C@@]3(C(=O)OC=C3C)[C@@H](O)[C@@H]2C1	ZINC000238744072	EG	Annotated	Anodyne	
C=C[C@@H]1[C@@H](C(=O)OC)CC[C@@H]2[C@H]1CC[C@@H]1C(C)(C)[C@H](O)C(=O)C[C@@]12C	ZINC000238744250	EG	Annotated	Mild	
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H](C3=C(O)C(=O)OC3)C[C@@H]12	ZINC000238744416	EG	Annotated	Reactive	
COc1c(O)c(CC=C(C)C)cc2c1O[C@H]1C=CC(O)=C(O)[C@@H]1C2=O	ZINC000238744549	EG	Annotated	Anodyne	
C=C[C@]1(C)C=C2[C@H](O)C[C@@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O	ZINC000238744552	EG	Annotated	Mild	
CC[C@@]12CCc3[nH]c4c(OC)cccc4c3CCN(C[C@H]3O[C@H]31)C2	ZINC000238744706	EG	Annotated	Anodyne	
C=C1CC/C=C(/COC(=O)[C@H](C)CC)C(=O)C[C@@H]2[C@@H]1C[C@@]2(C)CO	ZINC000238744707	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@@]23OC(=O)[C@H](C)[C@@H]2CC(=O)[C@]13C	ZINC000238744745	EG	Annotated	Anodyne	
C=C1CC[C@@H]2O[C@]2(COC(=O)/C(C)=C\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000238744843	EG	Annotated	Mild	
C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C[C@H]3OC3(C)C)CO[C@H](O)[C@@H]12	ZINC000238744897	EG	Annotated	Mild	
C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)CC(C)C	ZINC000238744916	EG	Annotated	Mild	
C[C@@]12OC[C@H]3OC4=C5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(CO1)[C@H]32	ZINC000238745003	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@@H]3C[C@@H](/C(C=O)=C/C(=O)O)O[C@@]3(C)CC(=O)[C@H]12	ZINC000238745034	EG	Annotated	Reactive	
CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@]2(C)C1	ZINC000238745063	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C[C@H](O)C(C)(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]13C	ZINC000238745137	EG	Annotated	Mild	
C[C@@H](CCc1ccc2c(=O)c3c(O)cccc3oc2c1O)C(=O)O	ZINC000238745228	EG	Annotated	Bother	
CCO[C@@H]1CN2CCc3c([nH]c4ccccc34)CC[C@]3(CCO[C@H]13)C2	ZINC000238745311	EG	Annotated	Anodyne	
Cc1c2ccc3c(c2c[n+]2ccc4cc5c(cc4c12)OCO5)OCO3	ZINC000238745333	EG	Annotated	Clean	
CC(=O)O[C@H]1CC[C@@]23O[C@@H]2CC[C@H](C)[C@@]3(C)/C=C(\C)[C@H]1OC(C)=O	ZINC000238745682	EG	Annotated	Anodyne	
C[C@@]12CC(=O)c3occc3[C@H]1CC[C@]13C[C@H]4C[C@H](O[C@@]4(CO)C1)[C@H]32	ZINC000238745771	EG	Annotated	Anodyne	
CN1CC[C@@]23c4ccccc4N[C@@H]4N(C)CC[C@]42c2ccccc2N[C@H]13	ZINC000238746314	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000238746370	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12	ZINC000238746393	EG	Annotated	Mild	
C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=C[C@H](O)OC1=O	ZINC000238746399	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@](C)(O)/C=C/C[C@]3(C)O[C@H]3C[C@H]12	ZINC000238746402	EG	Annotated	Mild	
C[C@H]1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000238746429	EG	Annotated	Anodyne	
CC(C)=CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC(=O)C3=C(C)CC[C@H]21	ZINC000238746516	EG	Annotated	Mild	
C/C(C=O)=C\CC/C(C)=C/CC/C(=C/CC/C(=C\CO)CO)CO	ZINC000238746621	EG	Annotated	Reactive	
C=C1CC/C=C(\C(=O)O)C[C@@H](OC(C)=O)CC(C)(C)C[C@@H]1OO	ZINC000238746664	EG	Annotated	Reactive	
C/C=C(/C)C(=O)Oc1ccc(OC(=O)[C@@]2(C)O[C@@H]2C)c([C@H]2O[C@@H]2C)c1	ZINC000238746665	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CC[C@H]4O[C@]5(c6ccoc6)C[C@]1(C)[C@]4(O5)[C@]23C	ZINC000238746668	EG	Annotated	Anodyne	
CC(C)[C@]1(O)/C=C/[C@](C)(O)CC/C=C2/CC[C@H](O)[C@@](C)(CC1)OC2	ZINC000238746709	EG	Annotated	Anodyne	
CC(C)CC(=O)OC[C@@]1(c2ccccc2OC(=O)CC(C)C)CO1	ZINC000238746763	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12	ZINC000238746908	EG	Annotated	Mild	
CC1(C)O[C@]2(C)[C@H](C[C@@H]1Br)O[C@]1(C)C[C@H]3O[C@@H]1C[C@H]32	ZINC000238747210	EG	Annotated	Reactive	
COC(=O)C1=CCC[C@H]2[C@@H]1CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@H]12	ZINC000238747276	EG	Annotated	Anodyne	
CCCCCC[C@@H](C)/C=C(\C)[C@H]1OC(=O)C(/C=C/C(=O)O)=C[C@@H]1O	ZINC000238747336	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)[C@H](C)CC)[C@H]12	ZINC000238747405	EG	Annotated	Mild	
C[C@]12C[C@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32	ZINC000238747664	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)[C@H](C)CC)[C@@]1(C)O[C@@H]21	ZINC000238747692	EG	Annotated	Mild	
CC(C)=CCC/C(=C/CC/C(=C/CC/C(=C\CO)CO)CO)CO	ZINC000238747727	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(C)=C/C/C=C(/COC(=O)[C@H](C)CC)[C@H](O)C[C@H]12	ZINC000238747843	EG	Annotated	Mild	
C=C1C[C@]23C[C@H]1CC(=O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000238747846	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31	ZINC000238747928	EG	Annotated	Anodyne	
C/C(=C/CO)CC/C=C(\CO)CC/C=C(\CO)CC/C=C(\C)CO	ZINC000238747930	EG	Annotated	Anodyne	
C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CC=O)C5)[C@@H]3C2)[C@@H]1O	ZINC000238747956	EG	Annotated	Mild	
C/C(=C\CC[C@@]1(CO)[C@H]2CC[C@@H](C)[C@H]3CC=C(CO)[C@@H]1[C@@H]23)C(=O)O	ZINC000238747972	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]13	ZINC000238748043	EG	Annotated	Anodyne	
CC(C)=CC[C@@H](O)/C(=C/COc1cc(=O)oc2cccc(C)c12)CO	ZINC000238748060	EG	Annotated	Anodyne	
C[C@H]1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3	ZINC000238748064	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2C[C@@H](O)[C@H](C)[C@@]13C	ZINC000238748256	EG	Annotated	Anodyne	
C=C1[C@H]2CC3=C(COC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@]2(C)[C@H]2C[C@@H]12	ZINC000238748549	EG	Annotated	Mild	
C=C(C)[C@H](O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO	ZINC000238748571	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C	ZINC000238748592	EG	Annotated	Mild	
C=C1C(=O)C(O)=C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)(C(=O)CO)CC[C@@]12C	ZINC000238748673	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000238748932	EG	Annotated	Mild	
COC(=O)C1=CNC=C2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@@H]2C	ZINC000238749182	EG	Annotated	Anodyne	
COc1ccc(C[C@]2(C)C(=O)Oc3cc(OC)cc(OC)c32)cc1	ZINC000238749332	EG	Annotated	Anodyne	
C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CC[C@H](O)[C@H](C)[C@]21C	ZINC000238749519	EG	Annotated	Mild	
C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@@]1(O)[C@@H]1OC1(C)C	ZINC000238749660	EG	Annotated	Mild	
CC(C)c1cc(C=O)c2c(c1O)O[C@@H]1O[C@H](O)[C@H]3C(C)(C)CCC[C@]231	ZINC000238749677	EG	Annotated	Anodyne	
C[C@H]1[C@H]2C[C@@]34COC(=O)C3=CCC[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2	ZINC000238749854	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)CC(C)C)[C@H]12	ZINC000238749873	EG	Annotated	Mild	
C[C@]12C[C@]34C[C@H]1C[C@H](O2)[C@H]3[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]4O	ZINC000238750037	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@@H]1[C@@H](O)C=C(O)[C@]21CC[C@@](C)(CC(=O)O)O1	ZINC000238750041	EG	Annotated	Anodyne	
C=C1[C@H]2CC[C@@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O	ZINC000238750052	EG	Annotated	Mild	
C[C@@]12[C@H]3CC[C@]4(C)C[C@H]5CC(=O)O[C@H]5[C@H]4[C@@H]3CC[C@@H]1C[C@H]1NC[C@@H]2O1	ZINC000238750077	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)[C@]3(C[C@]2(C)[C@H]1C)C(=O)OC=C3C	ZINC000238750138	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C=C(C)CC[C@]23OC(=O)[C@@H](C)[C@H]2CC(=O)[C@]13C	ZINC000238750154	EG	Annotated	Anodyne	
COc1cc(CC/C=C/C=C/C(=O)NCC(C)C)cc2c1OCO2	ZINC000238750159	EG	Annotated	Anodyne	
C[C@@]12CCC(=O)[C@]3(C)C(=O)O[C@H](C(=O)C=C1CCc1ccoc1)[C@]23C	ZINC000238750376	EG	Annotated	Mild	
C/C(=C/C/C=C(\C)CO)[C@H]1CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O	ZINC000238750463	EG	Annotated	Mild	
COc1cc([C@@H]2Oc3c(O)ccc(C(C)=O)c3[C@H]2C)cc(O)c1O	ZINC000238750692	EG	Annotated	Clean	
O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c3c(cc(O)c21)C=CCCO3	ZINC000238750832	EG	Annotated	Clean	
C=C1CC[C@@H]2CC[C@H]3C(=O)N/C(=C\[C@@H](C)CC(=O)C1)[C@@]3(O)C2(C)C	ZINC000238750947	EG	Annotated	Mild	
C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCO)C5)[C@@H]3C2)[C@@H]1O	ZINC000238750991	EG	Annotated	Mild	
C1=C2CCCN3CN4CCCC[C@@H]4[C@@]4(C[C@@H]1[C@H]1CCCCN1C4)[C@@H]23	ZINC000238751001	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C	ZINC000238751018	EG	Annotated	Anodyne	
C[C@@]12OC[C@H]3OC4=C5CC=C6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@]4(CO1)[C@H]32	ZINC000238751023	EG	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](O)C1=O	ZINC000238751247	EG	Annotated	Mild	
CC/C=C\C[C@@H](O)/C=C/[C@H](O)[C@H]1C[C@@H]1[C@@H]1C/C=C\CCCC(=O)O1	ZINC000238751290	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@H](O)/C(C)=C/CC/C(C)=C/C[C@@H]2O	ZINC000238751315	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]13	ZINC000238751685	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/C[C@H]12	ZINC000238751941	EG	Annotated	Mild	
C[C@H]1CC=C2C(=O)[C@@H]3O[C@@]3(C)CC[C@H]3O[C@]3(C)CC[C@@]1(C)[C@]2(C)O	ZINC000238752005	EG	Annotated	Mild	
C/C=C/c1cc(=O)c([C@@]2(C)OC(=O)c3cc(OC)cc(OC)c32)co1	ZINC000238752034	EG	Annotated	Anodyne	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@@]12CCC[C@@](CF)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC	ZINC000238752091	EG	Annotated	Mild	
CC(=O)C1=COC[C@H]2[C@H]1C[C@@H]1c3c(c4ccccc4n3C)C[C@H]2N1C	ZINC000238752220	EG	Annotated	Mild	
CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C\C3=C[C@@](C)(O)C[C@]3(O2)C1=O	ZINC000238752244	EG	Annotated	Mild	
COc1cc2c(cc1O)C[C@]1(C)NCCc3cc(OC)c(OC)c-2c31	ZINC000238752299	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=C[C@H]1CCN3CCC2	ZINC000238752442	EG	Annotated	Anodyne	
C=C1C[C@@]23COC(=O)C2=CCC[C@@H]3C[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000238752452	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@]1(C)O	ZINC000238752798	EG	Annotated	Anodyne	
C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@H]15	ZINC000238753038	EG	Annotated	Mild	
COC(=O)/C=C(/CO)CC[C@@H]1[C@H](O)C=C[C@@H]2C(C)(C)CCC[C@@]12C	ZINC000238753071	EG	Annotated	Anodyne	
CN1CC[C@]23c4ccccc4N=C1[C@]21CCN(C)[C@H]3Nc2ccccc21	ZINC000238753215	EG	Annotated	Anodyne	
C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)[C@@H]3C=C[C@@H](OC3=O)[C@@H]21	ZINC000238753296	EG	Annotated	Anodyne	
CC1=C[C@@H](C/C(C)=C/COc2cc(O)cc3oc(=O)ccc23)OC1=O	ZINC000238753390	EG	Annotated	Anodyne	
COc1cc(OC)cc(Oc2c(OC)cc(OC)cc2OC(C)=O)c1	ZINC000238753454	EG	Annotated	Anodyne	
COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)CC[C@H]3N(C)CC2	ZINC000238753766	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000238753806	EG	Annotated	Mild	
CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)CC(C)C)C1	ZINC000238753906	EG	Annotated	Anodyne	
CC[C@]1(C)CC[C@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1	ZINC000238754176	EG	Annotated	Anodyne	
CC(=O)OC/C(C)=C/C[C@@H](OC(C)=O)/C(C)=C/CC/C(C)=C/CO	ZINC000238754200	EG	Annotated	Anodyne	
COC(=O)C1=CNC=C2[C@@H]1C[C@H]1c3[nH]c4ccccc4c3CCN1[C@H]2C	ZINC000238754297	EG	Annotated	Anodyne	
CO[C@H]1C[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@@H](O)C=C1C=O	ZINC000238754434	EG	Annotated	Reactive	
C=C1C(=O)O[C@@H]2/C=C(\C)C/C=C/[C@](C)(O)CC[C@H]3O[C@@]3(C)CC[C@H]12	ZINC000238754588	EG	Annotated	Mild	
CC1=CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@@H](O)OC1=O	ZINC000238754616	EG	Annotated	Anodyne	
COc1ccc2c(=O)c3c(oc2c1)-c1cc(OC)c(OC)cc1CO3	ZINC000238754642	EG	Annotated	Anodyne	
C/C=C(\C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C1=C\O	ZINC000238754812	EG	Annotated	Reactive	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C/C)[C@@H]1O	ZINC000238754881	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C	ZINC000238754939	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC(C)=CC[C@]2(C)[C@@H]1[C@](O)(C(C)C)C[C@H]2O	ZINC000238755090	EG	Annotated	Anodyne	
C=C1CCC[C@@]2(C)CC[C@@]3(O)O[C@@]12[C@@H](O)[C@@]3(C)CCC(=O)C(C)C	ZINC000238755114	EG	Annotated	Mild	
CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](C2=O)[C@@H]1O	ZINC000238755207	EG	Annotated	Mild	
C=CC[C@@]1(OC)C=C2C(=CC1=O)O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C	ZINC000238755229	EG	Annotated	Mild	
COc1cc(OC)cc(Oc2c(OC)cc(OC(C)=O)cc2OC)c1	ZINC000238755239	EG	Annotated	Anodyne	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](O)C1=O	ZINC000238755477	EG	Annotated	Mild	
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(O[C@@]3(C)CC[C@H]12)[C@@H](O)CO[C@@H]4O	ZINC000238755522	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)c1c(O)cc(OC/C=C(\C)COC(C)=O)cc1O	ZINC000238755741	EG	Annotated	Anodyne	
C[C@@]1(CC(=O)O)CC[C@]2(O)C(=C[C@@H]3OC(=O)[C@]4(C)CCC[C@]2(C)[C@H]34)C1	ZINC000238755886	EG	Annotated	Anodyne	
C[C@@H]1CC[C@H]2[C@H](C[C@H]3C[C@]2(O)C2=CC(=O)[C@H]4CCCC[C@@H]4[C@H]23)N1C	ZINC000238755979	EG	Annotated	Mild	
COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3C[C@@H]2[N+]1(C)C)OCO4	ZINC000238756163	EG	Annotated	Bother	
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CC[C@]31Nc3ccc(OC)cc3C1=O)C2	ZINC000238756257	EG	Annotated	Anodyne	
C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000238756360	EG	Annotated	Mild	
C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15	ZINC000238756361	EG	Annotated	Mild	
CC[C@@]1(C(=O)OC)c2[nH]c3ccccc3c2CCN2CCC1CC2	ZINC000238756393	EG	Annotated	Anodyne	
COc1c2ccoc2nc2c(OC)c(OC[C@H](O)C(C)C)ccc12	ZINC000238756415	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2C/C(C)=C/CC/C(C)=C/CC[C@]3(CO)O[C@@H]3C[C@@H]12	ZINC000238756446	EG	Annotated	Mild	
C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)/C(C)=C\C	ZINC000238756591	EG	Annotated	Reactive	
C=C[C@]1(C)Cc2c(c3c(C)cccc3oc2=O)O[C@]12C=C(C)[C@@H](O)O2	ZINC000238756718	EG	Annotated	Mild	
C=C[C@@]1(C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C	ZINC000238756821	EG	Annotated	Mild	
C[C@H]1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)C2=CC[C@H]1C3	ZINC000238756911	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC(C)=C2CC[C@](C)(O)[C@H]2[C@H](O)[C@@H]1C(C)C	ZINC000238757005	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12	ZINC000238757214	EG	Annotated	Mild	
C[C@@H]1C[C@@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@@H](c1ccco1)OC2=O	ZINC000238757255	EG	Annotated	Anodyne	
C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@]3(CC[C@@H]12)C[C@]4(O)CO	ZINC000238757259	EG	Annotated	Anodyne	
CO[C@@H]1C(=O)c2ccc3occc3c2O[C@@H]1c1ccc2c(c1)OCO2	ZINC000238757277	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@@](C)(O)[C@@]13C	ZINC000238757434	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12	ZINC000238757466	EG	Annotated	Reactive	
CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](OC(C)=O)C[C@H]1C	ZINC000238757533	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000238757586	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)C(=O)C/C=C2\C[C@H](OC2=O)[C@H]1C(C)C	ZINC000238757611	EG	Annotated	Anodyne	
C=C1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)[C@H]2CC[C@H]1C3	ZINC000238757719	EG	Annotated	Mild	
C[C@H](O)CC1=C(O)C2=C[C@H]3OC[C@@]4(C)CCC[C@](C)(C2=C(O)C1=O)[C@H]34	ZINC000238757783	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)([C@@H](O)CC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3	ZINC000238757882	EG	Annotated	Mild	
C=C1[C@H](F)[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12	ZINC000238757948	EG	Annotated	Reactive	
C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@]23C[C@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@H]13	ZINC000238758044	EG	Annotated	Anodyne	
CC(C)[C@]12/C=C/[C@@](C)(O)CC(=O)C[C@@H](C)CC[C@@H](O)[C@](C)(CC1)O2	ZINC000238758180	EG	Annotated	Anodyne	
CC(C)[C@@]12/C=C/[C@](C)(O)CC(=O)C[C@@H](C)CC[C@H](O1)[C@](C)(O)CC2	ZINC000238758196	EG	Annotated	Anodyne	
CC(C)[C@@]12/C=C/[C@@](C)(O)CC(=O)C[C@@H](C)CC[C@H](O1)[C@](C)(O)CC2	ZINC000238758207	EG	Annotated	Anodyne	
COC1=C2C(C)(C)C(=O)CC[C@@]2(C)c2c(cc(C)c(O)c2O)C1=O	ZINC000238758571	EG	Annotated	Mild	
C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@@]2(C)[C@@H]1CC(=O)C1=C[C@H](O)OC1	ZINC000238758585	EG	Annotated	Mild	
C[C@H]1CC(=O)[C@@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]14[C@H]2CCC[C@]31CO1	ZINC000238758649	EG	Annotated	Anodyne	
CC1=CC(=O)O[C@H]1C/C=C(\C)[C@H](O)CC[C@H](C)C1=CC(=O)C(C)(C)O1	ZINC000238758654	EG	Annotated	Mild	
CC(C)=CC[C@@H](O)/C(C)=C/C[C@@H](O)/C(=C/CC/C(C)=C\CO)CO	ZINC000238758889	EG	Annotated	Anodyne	
COc1ccc2cc3c4c(c(OC)c(CO)c(OC)c4c2c1)C(=O)N3	ZINC000238759101	EG	Annotated	Bother	
CC(C)/C1=C/[C@H]2[C@](C)(O)CC[C@]2(O)[C@@]2(C)CCC=C(CC1)C(=O)O2	ZINC000238759215	EG	Annotated	Anodyne	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1O	ZINC000238759238	EG	Annotated	Mild	
C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](C)CN(C)C[C@H]2[C@@H]1C	ZINC000238759278	EG	Annotated	Anodyne	
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@H]2N	ZINC000238759363	EG	Annotated	Clean	
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]45CC(=O)O[C@@H]4O[C@H](O5)C3=CC(=O)[C@H]12	ZINC000238759511	EG	Annotated	Mild	
C=C[C@@](C)(O)CC(=O)/C=C(/C)CC/C=C(\C)[C@@H](O)C(=O)C=C(C)C	ZINC000238759625	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C	ZINC000238759750	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@]2(C)[C@H](CCC(=O)[C@]2(C)O)[C@@]1(C)CCC1=CC(=O)OC1	ZINC000238759853	EG	Annotated	Anodyne	
C[C@@]12CCC(=O)[C@@](C)(CO)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3	ZINC000238760090	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)C[C@H]12	ZINC000238760129	EG	Annotated	Mild	
C=CC1=C2C(=O)CC[C@@H]3C[N+]4([O-])C[C@@H](C)[C@H]5C[C@@H]4[C@]3(C)[C@]2(CC1)C5=O	ZINC000238760306	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@H]1Cc2cc3c(cc2OC1=O)C(C)(C)C=CO3	ZINC000238760341	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1Cc2cc3c(cc2OC1=O)C(C)(C)C=CO3	ZINC000238760353	EG	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3C[C@H](O)[C@@]2(O)C1	ZINC000238760360	EG	Annotated	Mild	
C[C@]1(CO)CCC[C@]2(C)c3cc4c(cc3C(=O)C[C@H]12)C(=O)C=CC4=O	ZINC000238760424	EG	Annotated	Mild	
C[C@H]1C2=C(CC[C@@]34COC(=O)[C@@H]3C=CC[C@@H]14)C(=O)O[C@@H]2c1ccoc1	ZINC000238760768	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(C(=O)O)=C/CC[C@](C)(OO)/C=C/C(C)(C)C1	ZINC000238760919	EG	Annotated	Reactive	
CC(C)[C@]1(O)C=C2C(=O)[C@H]3OC(=O)[C@@]4(C)CCC[C@](C)([C@@H]2CC1)[C@H]34	ZINC000238760923	EG	Annotated	Mild	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@]3(C2)O[C@@H]3CC[C@]12CO2	ZINC000238761001	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)C[C@@]34O[C@]3(C[C@@H]12)OC(=O)[C@@H]4C	ZINC000238761063	EG	Annotated	Anodyne	
C=C(C)[C@H](C[C@@](C)(O)[C@@H]1CC[C@@H](COC(C)=O)CC1)OC(C)=O	ZINC000238761390	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H]3O[C@]3(C)[C@@H](OC(=O)[C@H](C)CC)C[C@@H]12	ZINC000238761632	EG	Annotated	Mild	
CC(C)=CC(=O)O[C@H]1CCC(C)(C)[C@]2(C)[C@@]1(C)C[C@@H](CO)[C@]21CO1	ZINC000238761741	EG	Annotated	Anodyne	
C/C=C1/[C@@H]2CCN3CC[C@]4(c5cccc(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13	ZINC000238761781	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000238761808	EG	Annotated	Mild	
CC(=O)C(=O)[C@@]1(C)CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1CC(=O)O	ZINC000238761820	EG	Annotated	Clean	
C/C(=C/CO)CC/C=C(/C=O)CCC[C@H](C)C(=O)C[C@H]1C[C@@]1(C)O	ZINC000238762176	EG	Annotated	Reactive	
CC1=C(O)C(=O)C[C@H]2[C@]1(C)CC[C@H]1C[C@@](C)([C@H](O)CO)CC[C@@]12C	ZINC000238762371	EG	Annotated	Mild	
C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccco1)OC2=O	ZINC000238762405	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)O[C@H]1CC(C)=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12	ZINC000238762461	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@]12C(=O)[C@]3(C(=O)C(O)=C1C)[C@@H](CC[C@H]3C)C2(C)C	ZINC000238762565	EG	Annotated	Mild	
C=C1C[C@]23C[C@H]1C(=O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000238762649	EG	Annotated	Mild	
CC(C)[C@H]1[C@H](O)C[C@@]23C=C[C@@](CO)(CC[C@H]2[C@]1(C)CCC(=O)O)C3	ZINC000238762725	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@H](O)[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C	ZINC000238763221	EG	Annotated	Anodyne	
C#C/C=C/C[C@@]12O[C@@H]([C@@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O	ZINC000238763314	EG	Annotated	Reactive	
C=C1[C@H](F)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O[C@H]([C@@H]12)[C@@H]3O	ZINC000238763487	EG	Annotated	Mild	
C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@@H](O)[C@]2(C)O)[C@@]1(C)CCc1ccoc1	ZINC000238763536	EG	Annotated	Anodyne	
C=C1C[C@@]23CC[C@@H]4C(C)(C)OC(=O)CC[C@@]4(C)[C@@H]2C[C@@H]1[C@H](O)C3=O	ZINC000238763574	EG	Annotated	Mild	
COc1ccc2c(c1)C[C@H]1c3c(cc(OC)c(O)c3-2)CC[N+]1(C)[O-]	ZINC000238763581	EG	Annotated	Bother	
CC[C@@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CC[N+]1([O-])[C@H]24	ZINC000238763586	EG	Annotated	Bother	
C=C[C@@]1(C)C[C@@]2(OC[C@]3(C)O[C@@H]32)O[C@@H]2c3c(C)cccc3OC(=O)[C@@H]21	ZINC000238763726	EG	Annotated	Mild	
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(OC(C)=O)[C@H]1C[C@H]3O	ZINC000238763745	EG	Annotated	Mild	
C=C1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12	ZINC000238763836	EG	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=C[C@H](O)OC1=O	ZINC000238764523	EG	Annotated	Mild	
C=C(C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@](O)(CO)C3	ZINC000238764583	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]2C)[C@H](O)C1=O	ZINC000238764593	EG	Annotated	Mild	
C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@H](O)CC3)CO	ZINC000238764741	EG	Annotated	Mild	 
C/C1=C\CC[C@@](C)(O)/C=C/[C@](O)(C(C)C)CCC2=C[C@H](C1)OC2=O	ZINC000238764794	EG	Annotated	Anodyne	
C/C1=C\CC[C@](C)(O)/C=C/[C@](O)(C(C)C)CCC2=C[C@H](C1)OC2=O	ZINC000238764811	EG	Annotated	Anodyne	
C[C@H]1C(=O)[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2[C@@H](O)C[C@@H]1C3	ZINC000238764815	EG	Annotated	Anodyne	
OC[C@H](O)C#CC#C/C=C\CCCCCC/C=C\Br	ZINC000238764816	EG	Annotated	Mild	
C[C@@H]1C(=O)C[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000238764878	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)C(=O)C(C)(C)[C@H]3CC[C@H](C)[C@@H]1[C@]32O	ZINC000238764888	EG	Annotated	Anodyne	
C/C(=C\CC/C(=C/CC/C(C)=C/CC/C(=C\CO)CO)CO)CO	ZINC000238764987	EG	Annotated	Anodyne	
C=C(C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC(=O)[C@H]1[C@]23C	ZINC000238765000	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C/C/C=C(/COC(=O)CC(C)C)[C@H](O)C[C@H]12	ZINC000238765061	EG	Annotated	Mild	
C/C=C1\CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12	ZINC000238765322	EG	Annotated	Anodyne	
Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@]1(C)[C@@H](C)[C@@H](O)C[C@H]3O[C@]31C2	ZINC000238765684	EG	Annotated	Anodyne	
CN1CC[C@]2([C@@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12	ZINC000238766216	EG	Annotated	Anodyne	
C=C1CCC[C@@]2(C)C[C@@H](O)[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C	ZINC000238766246	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@@H](OC(=O)C=C(C)C)[C@H]12	ZINC000238766505	EG	Annotated	Mild	
CNCCc1cn([C@@]23CCN(C)[C@@H]2Nc2ccccc23)c2ccccc12	ZINC000238766510	EG	Annotated	Anodyne	
C=C(C)[C@H]1C[C@@H]2C(C)(C)C(Br)=C[C@H](O)[C@@]2(C)OCO1	ZINC000238766655	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@H]2C1	ZINC000238766698	EG	Annotated	Anodyne	
CC1(C)C(=O)C(O)=C[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)CC3=CC[C@H]12	ZINC000238766770	EG	Annotated	Mild	
O=C1OC[C@@]23CC[C@H]4[C@H]5OC[C@@]4(C[C@H](c4ccoc4)O5)[C@H]2CCC=C13	ZINC000238766796	EG	Annotated	Anodyne	
C=C[C@H]1C[N+]2(C)CCc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1CCO	ZINC000238766886	EG	Annotated	Mild	
C[C@@H]1[C@@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C	ZINC000238767130	EG	Annotated	Anodyne	
CC1=C2C=C3CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@]3(O)C[C@H]2OC1=O	ZINC000238767147	EG	Annotated	Anodyne	
CC(C)[C@]1(O)C=C2CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O	ZINC000238767240	EG	Annotated	Anodyne	
C=C(C(=O)CC=C(C)C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)[C@H]1OC(=O)/C(C)=C/C	ZINC000238767276	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000238767552	EG	Annotated	Mild	
CC1=C2CC[C@@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]2OC1)O3	ZINC000238767733	EG	Annotated	Anodyne	
C/C(=C/C(=O)O/C1=C/C(C)=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)CO	ZINC000238767736	EG	Annotated	Anodyne	
COc1ccc2c(c1)O[C@H](OC)[C@H]1c3cc4c(cc3O[C@@H]21)OCO4	ZINC000238767773	EG	Annotated	Anodyne	
C=C(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C	ZINC000238767805	EG	Annotated	Mild	
C[C@@H]1COc2c1cc1c(c2O)C[C@@]2(O)CCCC(C)(C)[C@@H]2C[C@@H]1O	ZINC000238768090	EG	Annotated	Anodyne	
CCC(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](OC(C)=O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C	ZINC000238768317	EG	Annotated	Mild	
C/C=C1\C[N+]2(C)CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42	ZINC000238768464	EG	Annotated	Bother	
CO[C@H]1C(C=O)=CC[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@H]1O	ZINC000238768593	EG	Annotated	Reactive	
CC(C)/C1=C\[C@@H](O)[C@](C)(O)CC(=O)C[C@H](C)CC[C@H]2O[C@]2(C)CC1	ZINC000238768709	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@@H]3O[C@@]32C)[C@@]1(C)CCC1=CC(=O)OC1	ZINC000238768728	EG	Annotated	Anodyne	
C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@@H]1C(C)(C)CCC[C@]21C	ZINC000238768814	EG	Annotated	Mild	
C[C@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000238768913	EG	Annotated	Anodyne	
CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](C/C=C(\C)CO)OC(C)=O	ZINC000238769045	EG	Annotated	Anodyne	
CC(C)=CC[C@]12O[C@H](C(C)(C)O)C[C@H]1C(=O)c1ccccc1C2=O	ZINC000238769170	EG	Annotated	Clean	
C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@H]3OC(=O)/C(=C/C)[C@H]3O[C@@]21C	ZINC000238769506	EG	Annotated	Mild	
C/C=C(\C)[C@H]1O[C@]2(C)CC[C@@]3(O)C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O	ZINC000238769548	EG	Annotated	Anodyne	
C=C[C@]1(C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@H]1O	ZINC000238769557	EG	Annotated	Mild	
CC[C@@H](C)C(=O)O[C@H]1CC(C)=C[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12	ZINC000238769599	EG	Annotated	Anodyne	
CC1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C(=O)O[C@H]5O[C@@H](O)[C@]3(CC[C@H]12)[C@H]54	ZINC000238769712	EG	Annotated	Anodyne	
CC1=CCC[C@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@]2(C)CCC1=C[C@@H](O)OC1=O	ZINC000238769780	EG	Annotated	Anodyne	
C/C(=C\CC[C@@H]1C(C)(C)[C@H]2C[C@]3(O)[C@@H](C)CC[C@@]13C[C@@H]2O)C(=O)O	ZINC000238769789	EG	Annotated	Anodyne	
C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C/C)C(=O)C[C@@H]12	ZINC000238769795	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@H](O)C1=O	ZINC000238770083	EG	Annotated	Mild	
COc1cc2c(cc1OC)-c1cc3c(c4ccnc(c14)C2=O)OCO3	ZINC000238770277	EG	Annotated	Anodyne	
CCO[C@@H](c1ccc(O)cc1)[C@H]1C(=O)N(C)C[C@@H]1c1ccc(O)cc1	ZINC000238770323	EG	Annotated	Anodyne	
C1=C2CCCN3CN4CCCC[C@H]4[C@]4(C[C@H]1[C@@H]1CCCCN1C4)[C@@H]23	ZINC000238771015	EG	Annotated	Anodyne	
C[C@]1([C@H](O)CO)CC[C@@]2(C)[C@@H](CCC(=O)[C@@H]2CCC[C@]2(C)CO2)C1	ZINC000238771167	EG	Annotated	Anodyne	
C=C1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12	ZINC000238771275	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](O)[C@]3(C)[C@H]1C	ZINC000238771439	EG	Annotated	Anodyne	
CC1(C)OC(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](O)(CO)C3	ZINC000238771610	EG	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccc(/C=C/CO)cc3[C@H]2OC)ccc1O	ZINC000238771931	EG	Annotated	Anodyne	
O=Cc1ccc(O)c2c(=O)n3c(cc12)C1=Nc2ccccc2[C@@H]1CC3	ZINC000238771960	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@]1(C)O	ZINC000238772026	EG	Annotated	Anodyne	
C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4CC=O)[C@@H](O)C[C@@H]12	ZINC000238772085	EG	Annotated	Mild	
C[C@@H]1Oc2cc3oc4ccc(O)c(O)c4c(=O)c3c(O)c2C1(C)C	ZINC000238772114	EG	Annotated	Clean	
COc1cc(/C=C/COC(C)=O)cc(OC)c1OC(=O)CC(C)C	ZINC000238772476	EG	Annotated	Anodyne	
C=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1\CCOC1=O	ZINC000238772682	EG	Annotated	Mild	
C=C(C)[C@H]1Oc2c(cc(C(C)=O)c(O)c2OC)[C@@H]1OC(=O)/C(C)=C\C	ZINC000238772769	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@@]3(O)C[C@@H]12	ZINC000238772809	EG	Annotated	Anodyne	
CC1=CC(=O)[C@@H]2[C@@H]3[C@H]1[C@@]2(C)[C@H](O)C[C@@H](OC(=O)CC(C)C)C3(C)C	ZINC000238772844	EG	Annotated	Mild	
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CCOC1=O)O2	ZINC000238772975	EG	Annotated	Anodyne	
C[C@H](CCO)CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]31	ZINC000238773120	EG	Annotated	Anodyne	
C[C@@H]1C[C@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CC[C@H](CO)CCO)[C@]32C	ZINC000238773167	EG	Annotated	Anodyne	
C/C(=C\CC/C(=C/CO)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O	ZINC000238773318	EG	Annotated	Anodyne	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@@]1(C)[C@@H](C)C=C[C@@H]3O[C@@]31C2=O	ZINC000238773400	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@H]2CC3=C(COC(=O)CC(C)(C)O)C(=O)C[C@@]31C2(C)C	ZINC000238773505	EG	Annotated	Mild	
C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@H]2C3=CC(=O)OC3=CC[C@@]21C	ZINC000238773517	EG	Annotated	Anodyne	
C=CCC1=C(O)C(=O)C2=C(C=C[C@H]3[C@@](C)(CO)CCC[C@]23C)C1=O	ZINC000238773582	EG	Annotated	Mild	
O=c1c(Cc2ccccc2)ccc2n1C[C@@H]1CCCN3CCC[C@H]2[C@@H]13	ZINC000238773598	EG	Annotated	Anodyne	
C[C@@H]1C(=O)[C@]23CC[C@H]4[C@@](C)(C(=O)O)CC[C@@H](O)[C@]4(C)[C@H]2CC[C@H]1C3	ZINC000238773837	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)O[C@@H]([C@@]3(C=O)O[C@H]3CO)C[C@H]21	ZINC000238773939	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@]3(COC(=O)CC(C)C)O[C@@H]3C[C@H]12	ZINC000238773979	EG	Annotated	Mild	
C/C(=C/CC/C(C)=C/[C@H](O)C/C(=C/CC/C(C)=C\CO)CO)CO	ZINC000238774082	EG	Annotated	Anodyne	
C[C@@H]1CC(=O)[C@@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000238774394	EG	Annotated	Anodyne	
CO[C@@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1N(C(C)=O)CC4)OCO3	ZINC000238774479	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1CO	ZINC000238774545	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)Oc1cc(C)ccc1[C@]1(COC(=O)C(C)C)CO1	ZINC000238774560	EG	Annotated	Anodyne	
COc1c(O)c(C)c2occ(-c3ccccc3O)c(=O)c2c1OC	ZINC000238774700	EG	Annotated	Anodyne	
CC(C)c1cc2c(c(O)c1O)C[C@]1(C)OC(=O)C(C)(C)C1=CC2=O	ZINC000238774880	EG	Annotated	Mild	
Cc1cc(O)c2c(O)c(O)c(O)c3c2c1C1=C(C3=O)C(C)(C)[C@H](C)O1	ZINC000238775113	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/C[C@H](OC(=O)CC(C)C)[C@@]1(C)O[C@H]21	ZINC000238775116	EG	Annotated	Mild	
C=C(C)CCc1c(O)cc2c(c1O)C(=O)c1c(O)cc(C)cc1C2=O	ZINC000238775468	EG	Annotated	Mild	
C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)C(C)C	ZINC000238775526	EG	Annotated	Reactive	
C[C@H](O)CC1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O	ZINC000238775542	EG	Annotated	Mild	
CC1=CC(=O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000238775620	EG	Annotated	Mild	
C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC(=O)C1=C[C@H](O)OC1	ZINC000238775995	EG	Annotated	Mild	
COC1=C[C@H]2CCCN3CCC4=CC[C@H](OC)C[C@@]43[C@H]2C=C1OC	ZINC000238776028	EG	Annotated	Anodyne	
COC(=O)C[C@@H](CC(=O)c1ccc(O)cc1)c1ccc(OC)cc1O	ZINC000238776060	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2	ZINC000238776101	EG	Annotated	Anodyne	
C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C(=O)O[C@]2(/C=C/C=C(C)C)CO	ZINC000238776154	EG	Annotated	Mild	
C=C(C)[C@@H]1CC[C@]23CO[C@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@@H]1[C@@H]23	ZINC000238776184	EG	Annotated	Reactive	
C=C1C(=O)[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3	ZINC000238776185	EG	Annotated	Mild	
Cc1occc1[C@@]1(C)CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000238776238	EG	Annotated	Anodyne	
CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(C[C@H]23)[C@@H](C)CCC4(C)C)OC1=O	ZINC000238776322	EG	Annotated	Anodyne	
C=C1CC[C@H]2O[C@]2(COC(=O)/C(C)=C\C)[C@@H](O)C[C@@H]2[C@@H]1CC2(C)C	ZINC000238776362	EG	Annotated	Mild	
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c(O)cc5cc(O)c1c2c5c43	ZINC000238776579	EG	Annotated	Bother	
C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2C[C@H](O)[C@H](C)[C@@]13C	ZINC000238776617	EG	Annotated	Anodyne	
C[C@H](CO)CCC[C@@]1(CO)[C@H]2C(C(=O)O)=CC[C@H]3[C@@H](C)CC[C@@H]1[C@H]32	ZINC000238776877	EG	Annotated	Anodyne	
CC1=CC(=O)O[C@H](/C=C(\C)CC[C@@H](O)[C@H](C)C2=CC(=O)C(C)(C)O2)C1	ZINC000238776968	EG	Annotated	Mild	
COc1c(O)ccc2c1C=[N+](C)[C@H]1c3cc4c(cc3C=C[C@@H]21)OCO4	ZINC000238777001	EG	Annotated	Anodyne	
C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(/C)CC[C@H](O)[C@]2(C)CC[C@@H]1O2	ZINC000238777114	EG	Annotated	Mild	
C[C@@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@H]3O[C@]32C)[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000238777219	EG	Annotated	Anodyne	
C[C@H]1C[C@H](O)[C@]2(C)[C@H](C=O)[C@H](O)CC[C@H]2[C@]1(C)CCc1ccoc1	ZINC000238777247	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](O)CC(C)=CC[C@]21C	ZINC000238777260	EG	Annotated	Anodyne	
C=C1[C@@H]2CCC(=O)[C@@](CC[C@H]3[C@]4(C)CCC[C@@]3(C)C(=O)O4)(C2)[C@@H]1O	ZINC000238777401	EG	Annotated	Mild	
COC(=O)[C@]1(C)C[C@@H](O)C[C@]2(C)c3ccc(C(C)(C)O)cc3CC[C@H]21	ZINC000238777406	EG	Annotated	Anodyne	
C=C[C@@](C)(O)CC/C=C(\C)[C@@H](O)C/C=C(\C)CC[C@@H](O)C(C)(C)O	ZINC000238777497	EG	Annotated	Mild	
CCCC/C=C/C=C\[C@@H]1CCC[C@H]2N[C@@H](C)[C@@H](OC(=O)CO)C[C@@H]12	ZINC000238777821	EG	Annotated	Anodyne	
CC1(C)C=COc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c21	ZINC000238778011	EG	Annotated	Bother	
C=C1CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@@H]1CCC1=CC(=O)O[C@@H]1O	ZINC000238778012	EG	Annotated	Mild	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000238778337	EG	Annotated	Mild	
C/C=C(/C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C1=C\O	ZINC000238778391	EG	Annotated	Reactive	
C=C1[C@@H](O)CC[C@@]2(C)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C	ZINC000238778605	EG	Annotated	Mild	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31[C@H]2OC(=O)C(C)C	ZINC000238778921	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C[C@@H]12)OC(=O)[C@@H]3C	ZINC000238778932	EG	Annotated	Anodyne	
CC(=O)c1cc(C)c(O)c(Cc2c(O)c(C)cc(C(C)=O)c2O)c1O	ZINC000238778976	EG	Annotated	Anodyne	
C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3	ZINC000238779015	EG	Annotated	Anodyne	
C=C1[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)C[C@@H]12	ZINC000238779030	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1C=C(C=O)[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C=O	ZINC000238779087	EG	Annotated	Reactive	
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H](C3=C(O)C(=O)OC3)C[C@H]12	ZINC000238779221	EG	Annotated	Reactive	
COc1c2c(cc3c1COC3=O)O[C@@](C)(CC(=O)C=C(C)C)CC2	ZINC000238779310	EG	Annotated	Mild	
CC(=O)O[C@@H]1C/C(C)=C\CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C	ZINC000238779316	EG	Annotated	Anodyne	
C=C1C(=O)O[C@H]2[C@@H](OC(=O)[C@H](C)CC)/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]12	ZINC000238779436	EG	Annotated	Mild	
COc1cc2c3c(c1)oc(=O)c1c(OC)c(OC)c(OC)c(c13)CC2	ZINC000238779757	EG	Annotated	Bother	
c1cc(C[C@@H]2COC[C@H]2Cc2ccc3c(c2)OCO3)c2c(c1)OCO2	ZINC000238779783	EG	Annotated	Anodyne	
CO[C@H]1CCC2=C(CN(C)c3c2ccc2cc4c(cc32)OCO4)C1=O	ZINC000238779815	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000238779842	EG	Annotated	Mild	
O=C(O)CCCCCCCC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12	ZINC000238779957	EG	Annotated	Anodyne	
C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(O)C2)[C@@H]1O	ZINC000238779996	EG	Annotated	Mild	
CC[C@H](O)/C=C/C=C\C/C=C/[C@@H]1[C@H]2O[C@H]2C[C@H]1[C@H]1CCCC(=O)O1	ZINC000238780111	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C/C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C	ZINC000238780123	EG	Annotated	Anodyne	
C[C@H]1CC[C@]23C[C@H](O)[C@H](C=C12)C(C)(C)[C@H]3CC(=O)C[C@@H](C)C(=O)O	ZINC000238780243	EG	Annotated	Anodyne	
Cc1c2c(cc3c1[C@H](c1ccoc1)OC3=O)[C@H]1COC(=O)C1=CC=C2	ZINC000238780382	EG	Annotated	Anodyne	
CC(C)C1=C[C@@H](C=O)[C@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O	ZINC000238780392	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@@H]1CC[C@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C	ZINC000238780518	EG	Annotated	Anodyne	
O=C(/C=C(/Cl)Br)C(Br)Br	ZINC000238780551	EG	Annotated	Reactive	
C/C=C(\C)C(=O)O[C@H]1CC[C@H]2C[C@]3(O)OC(=O)C(C)=C3C[C@@]2(C)[C@H]1C	ZINC000238780680	EG	Annotated	Anodyne	
C/C=C1\[C@@H]2CCN3CC[C@]4(c5cccc(O)c5N(C(=O)CC)[C@@H]4C2)[C@@H]13	ZINC000238780738	EG	Annotated	Anodyne	
C=C1C[C@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12	ZINC000238780808	EG	Annotated	Mild	
C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@H]1[C@@H]3OC(=O)C(=C(C)C)[C@@H]3O[C@@H]21	ZINC000238780845	EG	Annotated	Mild	
C#C/C=C\C[C@@]12O[C@@H]([C@@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O	ZINC000238780881	EG	Annotated	Reactive	
CC1(C)O[C@]2(C)[C@@H]3CC[C@](C)(O[C@@H]2C[C@H]1Br)[C@@H](O)C3	ZINC000238780938	EG	Annotated	Reactive	
C=C[C@]1(C)CC[C@@H]2C(=C[C@@H](O)[C@H]3[C@@](C)(C(=O)O)C(=O)CC[C@]23C)C1	ZINC000238781110	EG	Annotated	Mild	
COc1c2c(cc3ccoc13)C(=O)c1cc(C(C)(C)O)oc1C2=O	ZINC000238781209	EG	Annotated	Clean	
C/C(=C\CC/C(=C\CO)CO)CC/C=C(\C)CC[C@H](O)C(C)(C)O	ZINC000238781229	EG	Annotated	Anodyne	
C[C@@]12OC[C@H]3OC4=C5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO1)[C@H]32	ZINC000238781270	EG	Annotated	Anodyne	
C=C[C@]1(C)CC2=C(O)C(=O)[C@]34O[C@]3(CCCC4(C)C)[C@]2(C)[C@@H](O)C1	ZINC000238781306	EG	Annotated	Mild	
CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](O)C/C=C(\C)COC(C)=O	ZINC000238781431	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)OC[C@]12CCC3=C(C)C(=O)O[C@@H]3/C=C(\C)CC[C@@H]1O2	ZINC000238781567	EG	Annotated	Anodyne	
C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C\C1=CC(=O)O[C@@H]1O	ZINC000238781582	EG	Annotated	Mild	
COc1c(C)c(O)c(C)c(O)c1CCCc1cc2c(cc1O)OCO2	ZINC000238781797	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C(=O)O[C@@H]5O[C@@H](O)[C@@]3(CC[C@H]12)[C@@H]54	ZINC000238782210	EG	Annotated	Anodyne	
CC1=C(C=O)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C	ZINC000238782218	EG	Annotated	Reactive	
COc1cc2c(cc1O)C1=Cc3ccc(OC)c(OC)c3CN1CC2	ZINC000238782308	EG	Annotated	Anodyne	
C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)[C@H]3O[C@]32C)[C@@]1(C)CCC1=CC(=O)OC1	ZINC000238782310	EG	Annotated	Anodyne	
C=C[C@@]1(C)CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)[C@@H]2C=C(O)C(=O)[C@]32CO2)C1	ZINC000238782545	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@H](OC(=O)CC(C)C)[C@]2(C1)C(C)=CC(=O)[C@@H](O)[C@@H]2C	ZINC000238782593	EG	Annotated	Mild	
CC(C)=CCC(=O)/C(C)=C/CC[C@]1(CO)O[C@H]1CC/C(C)=C\CO	ZINC000238782625	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)CC(=O)C[C@@H]2[C@H](O)[C@@H]1OC(=O)/C(C)=C\C	ZINC000238782641	EG	Annotated	Mild	
C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@H]12	ZINC000238782725	EG	Annotated	Mild	
C=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C	ZINC000238782814	EG	Annotated	Mild	
C[C@@H]1C(=O)C=C2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C	ZINC000238782826	EG	Annotated	Mild	
C=C1CC[C@H](C(C)C)[C@H]2O[C@]13CC[C@](C)(O3)[C@@H]1[C@@H](O)C[C@@](C)(O)[C@H]12	ZINC000238782828	EG	Annotated	Mild	
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CCO[C@@H]1O)O2	ZINC000238783019	EG	Annotated	Anodyne	
COc1cc2ccc1Oc1cc(ccc1O)CC[C@@H](O)[C@@H](O)CCC2	ZINC000238783107	EG	Annotated	Anodyne	
CC(=O)O[C@H]1C=C2CCC(=O)[C@H](OC(C)=O)C(C)=C[C@@]2(C)[C@H](C)C1	ZINC000238783247	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(/C)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000238783253	EG	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O	ZINC000238783329	EG	Annotated	Mild	
CC(=O)N1CCCC[C@@H]1C[C@@H]1C[C@@H](C)C[C@@H]2[C@H]1CCCN2C(C)=O	ZINC000238783463	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)O[C@@H]1[C@]2(CC3=CCC[C@H](C)[C@]31C)C(=O)O[C@@H]1O[C@@]12C	ZINC000238783577	EG	Annotated	Anodyne	
C[C@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@H](c1ccoc1)OC2=O	ZINC000238783618	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)Oc1c(OC)cc(/C=C/COC(C)=O)cc1OC	ZINC000238783732	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)CC(C)C)[C@@H]1CCC(=O)[C@]12C	ZINC000238783797	EG	Annotated	Mild	
COc1cc(OC)c2c(c1)OC(c1ccc(O)c(OC)c1)=C(O)C2	ZINC000238783838	EG	Annotated	Anodyne	
C[C@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@]1(C)CCC1=CC(=O)O[C@H]1O	ZINC000238783865	EG	Annotated	Anodyne	
C[C@@]1([C@H](O)CO)CC[C@@]2(C)[C@@H]3CCC(=O)/C(=C/O)[C@]3(C)CC[C@@H]2C1	ZINC000238783924	EG	Annotated	Mild	
O=C1CN=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc1c23	ZINC000238783993	EG	Annotated	Anodyne	
CC1=C[C@]2(O)C(=O)[C@@H](C)CCC(C)(C)[C@H]3CC[C@@](C)(/C=C/2C1=O)O3	ZINC000238784119	EG	Annotated	Mild	
C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@]2(O)CC1	ZINC000238784254	EG	Annotated	Mild	
CC1=C(CO)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C	ZINC000238784416	EG	Annotated	Mild	
COc1c(O)c(OC)c2c(=O)c(-c3ccccc3O)coc2c1C	ZINC000238784421	EG	Annotated	Anodyne	
CC1=C2CC/C(C)=C/CC[C@@](C)(O)[C@H]3CC[C@](C)(O3)[C@H](C2=O)[C@H]1O	ZINC000238784428	EG	Annotated	Mild	
CC1=C2CC/C(C)=C\CC[C@@](C)(O)[C@H]3CC[C@](C)(O3)[C@H](C2=O)[C@H]1O	ZINC000238784430	EG	Annotated	Mild	
C[C@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]1(O)CCC1=CCOC1=O	ZINC000238784446	EG	Annotated	Anodyne	
C/C(=C\[C@H](O)C/C(C)=C/CO)CC/C=C(\C)C(=O)/C=C/C(C)(C)O	ZINC000238784523	EG	Annotated	Mild	
C=C1[C@H](O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3	ZINC000238784613	EG	Annotated	Mild	
CC(C)/C1=C/[C@@H](O)[C@@](C)(O)CC(=O)C[C@H](C)CC[C@H]2O[C@]2(C)CC1	ZINC000238784698	EG	Annotated	Anodyne	
CC1=CCC[C@H]2[C@](C)(CCC3=C[C@H](O)OC3=O)[C@@H](C)C[C@@H](O)[C@@]12C	ZINC000238784709	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C[C@@H]12)OC(=O)[C@@H]3C	ZINC000238785029	EG	Annotated	Anodyne	
C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(\C)CC[C@H]2O[C@@H]1CC[C@]2(C)O	ZINC000238785074	EG	Annotated	Mild	
C=C1CC[C@@]2(O)C(=C)CO[C@H]2/C=C(/C)CC[C@H]2O[C@@H]1CC[C@]2(C)O	ZINC000238785077	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2CC3=C([C@@H](O)[C@]2(C)[C@H]1C)[C@@H](C)C(=O)O3	ZINC000238785197	EG	Annotated	Anodyne	
C=C(C)C(=O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO	ZINC000238785228	EG	Annotated	Mild	
CC1=C[C@@]2(O)C(=O)[C@H](C)CCC(C)(C)[C@@H]3CC[C@@](C)(/C=C\2C1=O)O3	ZINC000238785282	EG	Annotated	Mild	
CC(=O)O[C@@H]1C=CC(=O)[C@]2(CC(=O)O[C@@H]2/C=C(/C)CCC=C(C)C)C1	ZINC000238785873	EG	Annotated	Mild	
CC(C)=C[C@@H]1OC(=O)[C@H](/C=C/C/C(C)=C\CCC2=CC(=O)OC2)[C@@H]1O	ZINC000238785921	EG	Annotated	Anodyne	
CC1=C2CCC=C3C(=O)OC[C@]32C=CC2=C1[C@H](c1ccoc1)OC2=O	ZINC000238785942	EG	Annotated	Anodyne	
CC(C)c1cc2c(c(C=O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)O[C@H]3O2	ZINC000238786193	EG	Annotated	Anodyne	
C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OC)[C@H]4C[C@@H](O)[C@]3(C2)[C@@H]1O	ZINC000238786285	EG	Annotated	Mild	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H]3O[C@]31[C@H]2O	ZINC000238786504	EG	Annotated	Anodyne	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C\C/C=C(\C)CC[C@H]2O	ZINC000238786542	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C\C/C=C(/C)CC[C@H]2O	ZINC000238786543	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H](O)/C(C)=C/C/C=C(/C)CC[C@H]2O	ZINC000238786545	EG	Annotated	Mild	
COc1cc([C@@H]2C=Cc3cc(O)ccc3O2)c(OC)c(OC)c1O	ZINC000238786593	EG	Annotated	Anodyne	
COc1cc2c(ccc3cc(O)c(OC)c(OC)c32)c(O)c1OC	ZINC000238786598	EG	Annotated	Bother	
C=C1Nc2ccccc2[C@]1(O)CCN1CCC[C@@]2(CC)CCO[C@@H]12	ZINC000238786785	EG	Annotated	Mild	
C[C@H]1C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2	ZINC000238786800	EG	Annotated	Anodyne	
C=C(C)[C@H](O)CC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)[C@H](O)CO	ZINC000238786857	EG	Annotated	Mild	
C/C1=C\[C@@H](O)[C@@](O)(C(C)C)CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O	ZINC000238786885	EG	Annotated	Anodyne	
C[C@]12[C@@H]3[C@@H](c4ccoc4)OC(=O)[C@]31C(=O)C[C@]1(C)[C@@H]2CC[C@H]2O[C@]21C	ZINC000238786962	EG	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]3(C)Oc4cc(O)c5c(=O)cc(CO)oc5c4[C@@H]1[C@@H]23	ZINC000238786983	EG	Annotated	Anodyne	
CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@@H](CO)C2=CC(=O)C(C)(C)O2)C1	ZINC000238787211	EG	Annotated	Mild	
C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](O)C3=C(C)C(=O)OC3=C[C@@H]12	ZINC000238787213	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31	ZINC000238787460	EG	Annotated	Anodyne	
CC1(C)C=Cc2cc(O)c3c(=O)c4ccc(O)c(O)c4oc3c2O1	ZINC000238788308	EG	Annotated	Clean	
COC(=O)/C1=C\[C@@H]2[C@H](C[C@]3(C)O[C@H]3CC1)[C@H]1[C@]2(C(C)C)CC[C@@]1(C)O	ZINC000238788353	EG	Annotated	Anodyne	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(\C)CC[C@H]2O	ZINC000238788439	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C\C/C=C(/C)CC[C@H]2O	ZINC000238788440	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(\C)CC[C@H]2O	ZINC000238788442	EG	Annotated	Mild	
C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)/C(C)=C/C/C=C(/C)CC[C@H]2O	ZINC000238788444	EG	Annotated	Mild	
C=CC(C)(C)c1ccc(C2=C(CC(C)C)C(=O)N(O)C2=O)cc1O	ZINC000238788461	EG	Annotated	Mild	
CC1(C)C=Cc2c3c(c4oc(=O)ccc4c2O1)C(C)(C)[C@@H](CO)O3	ZINC000238788496	EG	Annotated	Anodyne	
COc1c2c(c(/C=C/C(C)C)c(O)c1C(C)=O)O[C@@H](C(C)(C)O)C2	ZINC000238788555	EG	Annotated	Anodyne	
CC1=CC(=O)O[C@@H](/C=C(/C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1	ZINC000238788556	EG	Annotated	Mild	
C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000238788846	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2[C@@H](O)[C@]3(C)[C@H]1C	ZINC000238789014	EG	Annotated	Anodyne	
Cc1coc2c1C[C@@]1(C)[C@@H](CC[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]1C)C2=O	ZINC000238789101	EG	Annotated	Anodyne	
COc1cc(O)c(-c2cc3cc(C(=O)CCO)ccc3o2)c(OC)c1	ZINC000238789127	EG	Annotated	Anodyne	
C/C=C1/C[N+]2(C)CCc3c4n(c5ccccc35)[C@H](C(=O)OC)[C@H]1C[C@@H]42	ZINC000238789297	EG	Annotated	Bother	
CC[C@H](C)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	ZINC000238789631	EG	Annotated	Anodyne	
C/C1=C\[C@@H]2OC[C@](C)(O)/C2=C\C[C@@](C)(O)/C=C/C[C@]2(C)O[C@H]2CC1	ZINC000238789766	EG	Annotated	Anodyne	
C[C@H]1C[C@H]2OC(=O)[C@@H]3CCC[C@@H]([C@@H]23)[C@]12C[C@H](c1ccoc1)OC2=O	ZINC000238789773	EG	Annotated	Anodyne	
CC[C@@H](C)Nc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1	ZINC000024967201	EG	Annotated	Anodyne	in-vivo
O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@H]1CC=C[C@H]31	ZINC000247374502	EG	Annotated	Anodyne	 
O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000247374510	EG	Annotated	Anodyne	 
O=C(O)[C@@H]1[C@@H]2CC=C[C@@H]2c2cc([N+](=O)[O-])cc3c2N1C[C@@H]1CC=C[C@H]31	ZINC000247374516	EG	Annotated	Anodyne	 
N#C[C@]1(C(N)=O)[C@@H](c2cccs2)CC(=O)C[C@H]1c1cccs1	ZINC000247711290	EG	Annotated	Mild	 
COc1nc(N2[C@H](C)CCC[C@H]2C)nc(N2[C@H](C)CCC[C@H]2C)n1	ZINC000247915653	EG	Annotated	Anodyne	 
Cc1cccc2cc(CNC3CC3)c(N3CCN4CCC[C@H]4C3)nc12	ZINC000248328636	EG	Annotated	Anodyne	 
CSCCc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O	ZINC000002500146	EG	Annotated	Anodyne	
CCN(c1ccc2[nH]c(=O)c(CCSC)nc2n1)C1CCCCC1	ZINC000002500192	EG	Annotated	Anodyne	
O=C(c1cccs1)c1conc1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000002503593	EG	Annotated	Bother	 
CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H](OC(C)(C)C)C1	ZINC000002527684	EG	Annotated	Anodyne	 
Cc1nnc(OCC(=O)NCCC2=CCCCC2)c2ccccc12	ZINC000002618735	EG	Annotated	Anodyne	 
Cc1c(-c2nn(C)c(=O)c3ccccc23)oc2ccc(F)cc2c1=O	ZINC000002635384	EG	Annotated	Anodyne	
CCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O	ZINC000002639609	EG	Annotated	Anodyne	
COC(=O)N/N=C/c1c(C)nn(-c2cccc(Cl)c2)c1Cl	ZINC000002658711	EG	Annotated	Reactive	 
CCN1CCc2c(OCC(=O)Nc3ccc(C)cc3)cccc2C1=O	ZINC000002716295	EG	Annotated	Anodyne	 
COC(=O)CCN(C(=O)C1C2CC3CC(C2)CC1C3)c1ccccn1	ZINC000002725724	EG	Annotated	Anodyne	
CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1	ZINC000002830852	EG	Annotated	Anodyne	 
CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1	ZINC000002830853	EG	Annotated	Anodyne	 
C[C@@]12CC[C@H]3C[C@]1(C#N)N(C(=O)c1cccc([N+](=O)[O-])c1)C[C@]32C	ZINC000002871160	EG	Annotated	Mild	 
COC(CNC(=O)c1oc2ccc3c(c2c1C)C=CC(C)(C)O3)OC	ZINC000002908517	EG	Annotated	Anodyne	
COC(=O)Cc1nc(N2CCCCCC2)c2c(C)c(C)sc2n1	ZINC000002910820	EG	Annotated	Anodyne	 
CCOCCC/N=C(\O)[C@H]1CCCN(c2nc3ccccc3o2)C1	ZINC000002912587	EG	Annotated	Mild	 
CCOCCC/N=C(\O)[C@@H]1CCCN(c2nc3ccccc3o2)C1	ZINC000002912589	EG	Annotated	Mild	 
CCc1ccc([C@H]2C[C@H](c3cccc(OC)c3)n3nnnc3N2)cc1	ZINC000002915333	EG	Annotated	Anodyne	 
COCCNC(=O)c1cccnc1SCc1ccccc1Cl	ZINC000002922051	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@H]2CCCC[C@H]21	ZINC000250191936	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]2CCCC[C@H]21	ZINC000250191939	EG	Annotated	Anodyne	 
CN(C)c1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1	ZINC000250339525	EG	Annotated	Clean	 
COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@@H]3CCCN32)cc1	ZINC000250579313	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@@H]3CCCN32)cc1	ZINC000250586137	EG	Annotated	Anodyne	 
O=C1[C@@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1c1nccs1	ZINC000250774795	EG	Annotated	Anodyne	 
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)N1CCOc2ccccc21	ZINC000251583035	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)CCC[C@H]1C	ZINC000251583039	EG	Annotated	Anodyne	 
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Nc1cn(C)c(=O)c2ccccc12	ZINC000251816729	EG	Annotated	Anodyne	 
C[C@@H]1[C@@H](NC(=O)Nc2cn(C)c(=O)c3ccccc23)CCC[C@H]1C	ZINC000251816731	EG	Annotated	Anodyne	 
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)/C=C/c1ccc(F)cc1	ZINC000252438240	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@@H]31	ZINC000253389052	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO)O[C@@H]13	ZINC000253389053	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO)O[C@H]13	ZINC000253389054	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(CO)O[C@H]31	ZINC000253389055	EG	Annotated	Anodyne	 
CCOc1cc2nc(=S)n(CCCOC)c(O)c2cc1OCC	ZINC000253496799	EG	Annotated	Anodyne	 
COc1cccc(N=Nc2c(N)nn3c(O)c4c(nc23)CCCC4)c1	ZINC000253531722	EG	Annotated	Clean	 
CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@H](C(=O)O)C1)[C@@H]32	ZINC000253604811	EG	Annotated	Anodyne	 
O=C(CCN1CCC[C@@H]2CCCC[C@H]21)c1ccc(O)c(O)c1[N+](=O)[O-]	ZINC000253632389	EG	Annotated	Clean	 
O=C(CCN1CCC[C@H]2CCCC[C@H]21)c1ccc(O)c(O)c1[N+](=O)[O-]	ZINC000253632390	EG	Annotated	Clean	 
CC(C)C1=C[C@H]2C[C@]3(C#N)[C@@H]4CC[C@H](C)[C@@H]4C[C@]2(CO)[C@]13C(=O)O	ZINC000253633968	EG	Annotated	Mild	 
CC(C)(C)CNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000253635111	EG	Annotated	Anodyne	 
CC(C)(C)CNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000253635117	EG	Annotated	Anodyne	 
Clc1cc(N=NN2CCCC2)cc(Cl)c1NC1=NCCN1	ZINC000253636871	EG	Annotated	Clean	 
C[C@H]1CC[C@@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000253636950	EG	Annotated	Clean	 
C[C@@H]1CC[C@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000253636951	EG	Annotated	Clean	 
C[C@H]1CC[C@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000253636953	EG	Annotated	Clean	 
C[C@@H]1CC[C@@](C)(N=Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000253636954	EG	Annotated	Clean	 
N=C(N)SCCO[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)O)CC2)CC1	ZINC000253638825	EG	Annotated	Anodyne	 
O=C1c2cccnc2[S@](=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000253666583	EG	Annotated	Anodyne	 
O=C1c2cccnc2[S@@](=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000253666590	EG	Annotated	Anodyne	 
CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@H]1Br	ZINC000253667179	EG	Annotated	Reactive	 
CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@H]1Br	ZINC000253667186	EG	Annotated	Reactive	 
CCC[C@H]1C[C@]2(C[C@@H](CCC)N1)C(=O)NC(=O)N2c1ccccc1	ZINC000253668326	EG	Annotated	Anodyne	 
CCC[C@H]1C[C@@]2(C[C@@H](CCC)N1)C(=O)NC(=O)N2c1ccccc1	ZINC000253668331	EG	Annotated	Anodyne	 
NC1=CCN(CC[C@H](O)COc2ccccc2-c2ccccc2)CC1	ZINC000253681490	EG	Annotated	Anodyne	 
NC1=CCN(CC[C@@H](O)COc2ccccc2-c2ccccc2)CC1	ZINC000253681494	EG	Annotated	Anodyne	 
CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC000253697546	EG	Annotated	Mild	 
CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2	ZINC000253697555	EG	Annotated	Mild	 
CCNCC#CCCC(=O)[C@@](O)(c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2	ZINC000253697562	EG	Annotated	Mild	 
CCNCC#CCCC(=O)[C@](O)(c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2	ZINC000253697569	EG	Annotated	Mild	 
CC(C)CNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000253701905	EG	Annotated	Anodyne	 
CC(C)CNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000253701911	EG	Annotated	Anodyne	 
CC(C)CCNC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000253703223	EG	Annotated	Anodyne	 
CC(C)CCNC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000253703225	EG	Annotated	Anodyne	 
O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@H]1[N+](=O)[O-]	ZINC000253724012	EG	Annotated	Bother	 
O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@H]1c1cnoc1C2	ZINC000253776714	EG	Annotated	Anodyne	 
Clc1ccc2oc3c(N4C[C@@H]5CCCN[C@H]5C4)ncnc3c2c1	ZINC000253778996	EG	Annotated	Anodyne	 
Clc1ccc2oc3c(N4C[C@H]5CCCN[C@H]5C4)ncnc3c2c1	ZINC000253778999	EG	Annotated	Anodyne	 
CO[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000253783073	EG	Annotated	Anodyne	 
CO[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000253783079	EG	Annotated	Anodyne	 
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1	ZINC000253794874	EG	Annotated	Anodyne	 
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1	ZINC000253794882	EG	Annotated	Anodyne	 
C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@H](C)CO[C@]3(C)O4)C[C@@H]12	ZINC000253803298	EG	Annotated	Anodyne	 
C[C@@H]1CO[C@@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@H](C)CO[C@]3(C)O4)C[C@H]12	ZINC000253803304	EG	Annotated	Anodyne	 
C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@H]12)O[C@]1(C)OC[C@H](C)[C@@H]1C4	ZINC000253803311	EG	Annotated	Anodyne	 
C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@H]12)O[C@]1(C)OC[C@H](C)[C@H]1C4	ZINC000253803317	EG	Annotated	Anodyne	 
CCN1C=C[C@@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@H]21	ZINC000253809502	EG	Annotated	Mild	 
CCN1C=C[C@H]2C=C(C(=O)c3cc(OC)c(OC)c(OC)c3)C=C[C@H]21	ZINC000253809504	EG	Annotated	Mild	 
COc1cc(OC2=C[S@@](=O)c3ccccc32)cc(OC)c1OC	ZINC000253810801	EG	Annotated	Anodyne	 
COc1cc(OC2=C[S@](=O)c3ccccc32)cc(OC)c1OC	ZINC000253810805	EG	Annotated	Anodyne	 
O=[N+]([O-])c1cccc(N=NN(CCO)c2cccc([N+](=O)[O-])c2)c1	ZINC000253928700	EG	Annotated	Clean	 
O=[N+]([O-])c1ccc2[nH]c(O)c(N=N/C(S)=N/C[C@H]3CCCO3)c2c1	ZINC000253947096	EG	Annotated	Mild	 
O=[N+]([O-])c1ccc2[nH]c(O)c(N=N/C(S)=N/C[C@@H]3CCCO3)c2c1	ZINC000253947098	EG	Annotated	Mild	 
C#CCn1c(O)c(N=NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	ZINC000253947669	EG	Annotated	Mild	 
C#CCn1c(O)c(N=NC(=O)[C@H](O)c2ccccc2)c2ccccc21	ZINC000253947670	EG	Annotated	Mild	 
Cn1c(O)c(N=NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	ZINC000253960960	EG	Annotated	Clean	 
Cn1c(O)c(N=NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	ZINC000253960964	EG	Annotated	Clean	 
O=C(CCNC(=O)c1ccccc1)N=Nc1c(O)[nH]c2ccccc12	ZINC000253966819	EG	Annotated	Clean	 
Cc1nc(N)sc1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000253977272	EG	Annotated	Clean	 
O=C(Cn1ccc(C(F)(F)F)n1)N=Nc1c(O)[nH]c2ccccc12	ZINC000253978833	EG	Annotated	Clean	 
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C	ZINC000253978896	EG	Annotated	Mild	 
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@@]23C	ZINC000253978900	EG	Annotated	Mild	 
COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@+]1(C)[O-]	ZINC000253995018	EG	Annotated	Bother	 
COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@@+]1(C)[O-]	ZINC000253995024	EG	Annotated	Bother	 
COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@+]1(C)[O-]	ZINC000253995029	EG	Annotated	Bother	 
COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CC[N@+]1(C)[O-]	ZINC000253995033	EG	Annotated	Bother	 
COC(=O)C1=C2CCCO[C@@H]2[C@H]2[C@H](C)[C@@H](OC)c3ccccc3[C@H]12	ZINC000254010241	EG	Annotated	Anodyne	 
COC(=O)C1=C2CCCO[C@@H]2[C@@H]2[C@@H]1c1ccccc1[C@H](OC)[C@@H]2C	ZINC000254010251	EG	Annotated	Anodyne	 
COC(=O)C1=C2CCCO[C@@H]2[C@H]2[C@H](C)[C@H](OC)c3ccccc3[C@H]12	ZINC000254010263	EG	Annotated	Anodyne	 
CCOC(=O)c1ccc(N=Nc2c(O)nc(O)c(C#N)c2C)cc1	ZINC000254010905	EG	Annotated	Mild	 
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)[C@H]2C	ZINC000254011989	EG	Annotated	Mild	 
CC1=C2[C@H](O)[C@H]([C@H](C)C(=O)NCCC(C)C)CC[C@]2(C)C=CC1=O	ZINC000254019280	EG	Annotated	Mild	 
C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@]1(O)C3	ZINC000254044202	EG	Annotated	Mild	 
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@@H]2CC[C@@]1(O)C3	ZINC000254044206	EG	Annotated	Mild	 
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OC)[C@H]2CC[C@@]1(O)C3	ZINC000254044211	EG	Annotated	Mild	 
COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@H]1/C=C\c1ccccc1	ZINC000254046170	EG	Annotated	Anodyne	 
COC(=O)[C@]1(C)[C@H]2C[C@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000254046316	EG	Annotated	Anodyne	 
COC(=O)[C@@]1(C)[C@H]2C[C@H](C)[C@@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000254046323	EG	Annotated	Anodyne	 
ClCCN(CCCl)c1ccc(C=NNc2ncccn2)cc1	ZINC000254071173	EG	Annotated	Reactive	 
N[C@@H]1CC[C@@H](Nc2cc(NCc3ccccc3)n3nccc3n2)CC1	ZINC000254093775	EG	Annotated	Anodyne	 
COC(=O)CCN1CC[C@H]2C[C@H]1c1cc(N3CCCCC3)ccc12	ZINC000254096562	EG	Annotated	Anodyne	 
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O	ZINC000254133032	EG	Annotated	Mild	 
CC(=O)NC1(NC(C)=O)[C@@H](Cc2ccccc2)[C@@H]2C[C@H]1[C@@H](C)C2(C)C	ZINC000254145425	EG	Annotated	Anodyne	 
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@@H]1O	ZINC000254216467	EG	Annotated	Mild	 
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@@H]1O	ZINC000254216469	EG	Annotated	Mild	 
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000254216470	EG	Annotated	Mild	 
C=C(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H](O)C[C@H]2C)[C@H](OC(=O)C=C(C)C)[C@H]1O	ZINC000254216472	EG	Annotated	Mild	 
COc1ccc(N=C2SCC(=O)N2c2ccc(OC)cc2)cc1	ZINC000254290400	EG	Annotated	Mild	 
Cn1ncc(N=Cc2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1	ZINC000254308651	EG	Annotated	Mild	 
COc1ccc(-c2csc(=Nc3ccccc3)n2CCO)cc1	ZINC000254378179	EG	Annotated	Anodyne	 
CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C)cc1	ZINC000254380793	EG	Annotated	Mild	aggregator
OCCn1c(-c2ccc3c(c2)OCO3)csc1=Nc1ccccc1	ZINC000254396123	EG	Annotated	Anodyne	 
CN(C)C=NC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl	ZINC000254441149	EG	Annotated	Mild	 
COc1ccccc1C(=O)N=c1sc2c(C)ccc(OC)c2n1C	ZINC000254479908	EG	Annotated	Anodyne	 
CCOC(=O)c1sc(=NC(=O)c2ccc(Cl)s2)n(C)c1C	ZINC000254486065	EG	Annotated	Anodyne	 
COc1ccc(C)c2sc(=NC(=O)c3ccc(C#N)cc3)n(C)c12	ZINC000254487876	EG	Annotated	Mild	 
O=c1c(=Cc2cccn2-c2ccccc2)sc2nc3ccccc3n12	ZINC000254492828	EG	Annotated	Anodyne	aggregator
C#CCn1c(=NC(=O)c2cccs2)sc2cccc(OC)c21	ZINC000254493509	EG	Annotated	Mild	aggregator
COc1ccc(C)c2sc(=NC(=O)c3ccc(F)cc3)n(C)c12	ZINC000254592871	EG	Annotated	Anodyne	 
O=C(O)c1ccc(C=Nn2c(-c3ccc(F)cc3)n[nH]c2=S)cc1	ZINC000254595940	EG	Annotated	Mild	 
C=CCn1c(=NC(=O)c2ccco2)sc2cc(C(=O)OC)ccc21	ZINC000254624595	EG	Annotated	Mild	 
CNC(=S)NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12	ZINC000254735393	EG	Annotated	Mild	aggregator
O=[N+]([O-])c1ccc(Cl)c(C=NN2CCN(c3ccccc3)CC2)c1	ZINC000254756630	EG	Annotated	Mild	aggregator
Cn1c(=NC(=O)COc2ccccc2)sc2cc(F)cc(F)c21	ZINC000254759151	EG	Annotated	Anodyne	 
C=CCN1C(=Nc2cccnc2)SC[C@@]1(O)c1ccc(C)cc1	ZINC000254799432	EG	Annotated	Mild	 
C=CCN1C(=Nc2cccnc2)SC[C@]1(O)c1ccc(C)cc1	ZINC000254799435	EG	Annotated	Mild	 
COc1ccc(OC)c2c1sc(=NC(=O)C1CCCCC1)n2C	ZINC000254816530	EG	Annotated	Anodyne	 
CN(C)C=NC(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1	ZINC000254818208	EG	Annotated	Mild	 
CN(C)c1ccc(C(=O)N=c2sc3cccc(F)c3n2C)cc1	ZINC000254845803	EG	Annotated	Anodyne	 
COc1ccc2oc(=Nc3cc(F)ccc3F)c(C(N)=O)cc2c1	ZINC000254871408	EG	Annotated	Anodyne	 
COc1ccccc1N=C1SCC(=O)N1c1ccccc1OC	ZINC000254877398	EG	Annotated	Mild	 
Cn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cccc(F)c21	ZINC000254899595	EG	Annotated	Bother	 
CCn1c(=NC(=O)COc2ccccc2)sc2cccc(F)c21	ZINC000254900746	EG	Annotated	Anodyne	 
c1ccc2c(c1)Oc1ncccc1[C@@H]2SCCN1CCOCC1	ZINC000025971425	EG	Annotated	Anodyne	
c1ccc2c(c1)Oc1ncccc1[C@H]2SCCN1CCOCC1	ZINC000025971431	EG	Annotated	Anodyne	
COc1c2c(cc3c(-c4ccccc4F)noc13)C[C@H](C(=O)O)O2	ZINC000025975288	EG	Annotated	Anodyne	
COc1c2c(cc3c(-c4ccccc4F)noc13)C[C@@H](C(=O)O)O2	ZINC000025975297	EG	Annotated	Anodyne	
O=C(O)[C@@H]1Cc2cc3c(-c4ccc(O)cc4)noc3c(Cl)c2O1	ZINC000025976960	EG	Annotated	Anodyne	
O=C(O)[C@H]1Cc2cc3c(-c4ccc(O)cc4)noc3c(Cl)c2O1	ZINC000025976967	EG	Annotated	Anodyne	
NC(=O)[C@@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1	ZINC000025977414	EG	Annotated	Anodyne	
NC(=O)[C@H]1Cc2cc3c(-c4ccccc4F)noc3c(Cl)c2O1	ZINC000025977419	EG	Annotated	Anodyne	
C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O	ZINC000025989158	EG	Annotated	Anodyne	
C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](O)[C@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O	ZINC000025989166	EG	Annotated	Anodyne	
C[C@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O	ZINC000025989172	EG	Annotated	Anodyne	
C[C@]12CC[C@]3(C1)[C@@H](CC2=O)C[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O	ZINC000025989181	EG	Annotated	Anodyne	
O=C(c1ccc(Br)cc1)c1ccc2n1CC[C@H]2C(=O)O	ZINC000025991992	EG	Annotated	Anodyne	
O=C(c1ccc(Br)cc1)c1ccc2n1CC[C@@H]2C(=O)O	ZINC000025992000	EG	Annotated	Anodyne	
COc1ccc(OC)c(Sc2ccc(NC3=NCCN3)cc2)c1	ZINC000025999090	EG	Annotated	Anodyne	
C[C@H](O)[C@]1(O)CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000255219298	EG	Annotated	Anodyne	 
CC(=O)C1=CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C	ZINC000255272402	EG	Annotated	Mild	 
CC(=O)C1=CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C	ZINC000255272403	EG	Annotated	Mild	 
CC(=O)C1=CC[C@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C	ZINC000255272404	EG	Annotated	Mild	 
C[C@H]1[C@H]2CC=C3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32[C@H](O)N1C	ZINC000255274467	EG	Annotated	Mild	 
C=C[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000255278179	EG	Annotated	Mild	 
CNc1ncccc1CN1CCCC[C@H]1c1cc(C)n2ccnc2n1	ZINC000257286157	EG	Annotated	Anodyne	 
CNc1ncccc1CN1CCCC[C@@H]1c1cc(C)n2ccnc2n1	ZINC000257286158	EG	Annotated	Anodyne	 
CC1=CCC[C@H](C)[C@@]1(C)CC/C(C)=C/C(=O)N[C@H]1CCCNC1=O	ZINC000257375170	EG	Annotated	Anodyne	 
CC1=CCC[C@H](C)[C@]1(C)CC/C(C)=C/C(=O)N[C@H]1CCCNC1=O	ZINC000257375171	EG	Annotated	Anodyne	 
C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1	ZINC000257379498	EG	Annotated	Anodyne	biogenic
C[C@@H]1[C@H](O)C[C@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1	ZINC000257379499	EG	Annotated	Anodyne	biogenic
C/C=C1\[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13	ZINC000257393418	EG	Annotated	Anodyne	
C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13	ZINC000257393419	EG	Annotated	Anodyne	
C/C=C1\[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000257393420	EG	Annotated	Anodyne	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	ZINC000257401884	EG	Annotated	Mild	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000257401885	EG	Annotated	Mild	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000257401886	EG	Annotated	Mild	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	ZINC000257401887	EG	Annotated	Mild	
C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2	ZINC000257434990	EG	Annotated	Anodyne	
C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2	ZINC000257434991	EG	Annotated	Anodyne	
C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@@H](c1ccoc1)O[C@H]3O2	ZINC000257434992	EG	Annotated	Anodyne	
C[C@@H]1[C@H]2C[C@]34COC(=O)C3=CC=C[C@@H]4[C@@]13C[C@@H](c1ccoc1)O[C@@H]3O2	ZINC000257434993	EG	Annotated	Anodyne	
CN1CC[C@]2([C@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12	ZINC000257437520	EG	Annotated	Anodyne	
CN1CC[C@]2([C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12	ZINC000257437521	EG	Annotated	Anodyne	
CC[C@@H]1[C@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13	ZINC000257465425	EG	Annotated	Anodyne	
CC[C@@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4C2)[C@@H]13	ZINC000257465426	EG	Annotated	Anodyne	
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2N	ZINC000257491841	EG	Annotated	Clean	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@H]12	ZINC000257520558	EG	Annotated	Mild	
C=C1[C@H]2CC(=O)[C@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000257531811	EG	Annotated	Mild	
C=C1[C@H]2CC(=O)[C@@H]([C@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000257531812	EG	Annotated	Mild	
C=C1[C@H]2CC(=O)[C@@H]([C@@H](C)O)[C@@H]2[C@@H](C(C)C)C[C@H]1OC(=O)CC(C)C	ZINC000257531813	EG	Annotated	Mild	
COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=C[C@H]1CCN3CCC2	ZINC000257541286	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)O[C@@H](c2ccc(OC)cc2)[C@H](C)O)cc1	ZINC000257549815	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@H](C)O)cc1	ZINC000257549816	EG	Annotated	Anodyne	
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2OC3=O	ZINC000257559964	EG	Annotated	Clean	
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](O)[C@H]2OC3=O	ZINC000257559965	EG	Annotated	Clean	
C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)C2(C)C	ZINC000257568985	EG	Annotated	Mild	
C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@H]13)C2(C)C	ZINC000257568986	EG	Annotated	Mild	
C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]13)C2(C)C	ZINC000257568987	EG	Annotated	Mild	
C=C1CC[C@@H]2[C@H]([C@@H]3C(COC(C)=O)=CO[C@@H](OC(C)=O)[C@H]13)C2(C)C	ZINC000257568988	EG	Annotated	Mild	
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@H](C)[C@@]21C	ZINC000257617627	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2C[C@@H]2CCC(=O)[C@H](C)[C@]21C	ZINC000257617628	EG	Annotated	Anodyne	
Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@H](O)C[C@]32C)C1=O	ZINC000257621386	EG	Annotated	Anodyne	
Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@@H](O)C[C@@]32C)C1=O	ZINC000257621387	EG	Annotated	Anodyne	
Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000257621388	EG	Annotated	Anodyne	
Cc1occc1[C@@H]1CC[C@@H]2[C@H](CC=C3C[C@H](O)[C@@H](O)C[C@]32C)C1=O	ZINC000257621389	EG	Annotated	Anodyne	
CCOC(=O)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1	ZINC000026002330	EG	Annotated	Anodyne	
Clc1ccc(CO[C@@]2(C3=NCCN3)COc3ccccc3O2)cc1	ZINC000026003358	EG	Annotated	Anodyne	
Clc1ccc(CO[C@]2(C3=NCCN3)COc3ccccc3O2)cc1	ZINC000026003365	EG	Annotated	Anodyne	
CCOc1ccccc1NC(=O)[C@@H](CN(CC)CC)N(CC)CC	ZINC000026005436	EG	Annotated	Anodyne	
CCOc1ccccc1NC(=O)[C@H](CN(CC)CC)N(CC)CC	ZINC000026005445	EG	Annotated	Anodyne	
CCCN(CC)C[C@H](C(=O)Nc1ccccc1OC)N(CC)CCC	ZINC000026005725	EG	Annotated	Anodyne	
CCCN(CC)C[C@@H](C(=O)Nc1ccccc1OC)N(CC)CCC	ZINC000026005730	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CC2=C([C@@H](c3ccccc3)N1)N(C)c1ccccc1C2	ZINC000026029326	EG	Annotated	Anodyne	
COC(=O)[C@H]1CC2=C([C@@H](c3ccccc3)N1)N(C)c1ccccc1C2	ZINC000026029334	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CC2=C([C@H](c3ccccc3)N1)N(C)c1ccccc1C2	ZINC000026029342	EG	Annotated	Anodyne	
COC(=O)[C@H]1CC2=C([C@H](c3ccccc3)N1)N(C)c1ccccc1C2	ZINC000026029349	EG	Annotated	Anodyne	
CCN(CC)Cc1c(O)ccc2c(CCCCC(=O)O)cc(=O)oc12	ZINC000026150773	EG	Annotated	Clean	
CN(C)CC/N=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000026151069	EG	Annotated	Mild	
CN(C)/C(=N\C#N)C1=CC(C)(C)Oc2ccc(Br)cc21	ZINC000026155121	EG	Annotated	Mild	
O=C1Cc2c(OCCN3Cc4ccccc4C3)ccc(Cl)c2N1	ZINC000026163138	EG	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2CCCc3cc(F)cc1c32	ZINC000026164971	EG	Annotated	Anodyne	
O=C(Nc1ccccn1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32	ZINC000026165521	EG	Annotated	Anodyne	
Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Cc4cccc2c43)no1	ZINC000026169001	EG	Annotated	Anodyne	
Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1	ZINC000026169479	EG	Annotated	Anodyne	
Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCCCC1)C(C)(C)C2	ZINC000026171543	EG	Annotated	Clean	
Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCCCC1)C(C)(C)C2	ZINC000026171547	EG	Annotated	Clean	
O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2CCSc3cccc1c32	ZINC000026173701	EG	Annotated	Anodyne	
O=C1NCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3	ZINC000026181812	EG	Annotated	Anodyne	
O=C(O)c1cn(-c2nccs2)c2nc(-c3ccccc3)ccc2c1=O	ZINC000026185499	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@@H](C)CN(C)C	ZINC000026189850	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@H](C)CN(C)C	ZINC000026189853	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@@H](C)CN(C)C	ZINC000026189857	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@H](C)CN(C)C	ZINC000026189860	EG	Annotated	Anodyne	
CCn1c2cc(Cl)c(N)cc2c(=O)c2c(OC)cc(OC)cc21	ZINC000026257100	EG	Annotated	Bother	
CC(C)CNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000026258088	EG	Annotated	Anodyne	
CCN(CC)CCn1c(Cn2nnc3ccccc32)nc2ccccc21	ZINC000026260294	EG	Annotated	Anodyne	
CCN(CC)c1cc2c(cc1N)c(=O)c1c(O)cc(O)cc1n2CC	ZINC000026262513	EG	Annotated	Bother	
CNC(=O)C(CCn1ccnc1C)(c1ccccc1)c1ccccc1	ZINC000026264553	EG	Annotated	Anodyne	
Cc1cc(C[C@@H](C(=O)O)c2cn(CCCC(C)C)cn2)cnc1N	ZINC000026266469	EG	Annotated	Anodyne	
Cc1cc(C[C@H](C(=O)O)c2cn(CCCC(C)C)cn2)cnc1N	ZINC000026266476	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(N=[N+]=[N-])ccc3O)CCN12	ZINC000026271156	EG	Annotated	Mild	
O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@H](O)P(=O)(O)O)c1	ZINC000026271386	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(SC2CCCCC2)c([C@@H](O)P(=O)(O)O)c1	ZINC000026271392	EG	Annotated	Bother	
CN(C)CC[C@@H]1CN(C)C(=S)c2cc(C(F)(F)F)ccc2O1	ZINC000026277605	EG	Annotated	Anodyne	
CN(C)CC[C@H]1CN(C)C(=S)c2cc(C(F)(F)F)ccc2O1	ZINC000026277611	EG	Annotated	Anodyne	
CC[C@@H](C)NC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000026277764	EG	Annotated	Anodyne	 
CC[C@H](C)NC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000026277770	EG	Annotated	Anodyne	 
CCCCNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000026278379	EG	Annotated	Anodyne	
Cc1nccn1CCCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026280158	EG	Annotated	Anodyne	
Cc1nccn1C[C@H](C)C(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026280531	EG	Annotated	Anodyne	
Cc1nccn1C[C@@H](C)C(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000026280538	EG	Annotated	Anodyne	
CC(C)(C)CNC1=NS(=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000026281613	EG	Annotated	Anodyne	
CN1C[C@@H](CCN2CCC2)Oc2ccc(C(F)(F)F)cc2C1=S	ZINC000026284507	EG	Annotated	Anodyne	
CN1C[C@H](CCN2CCC2)Oc2ccc(C(F)(F)F)cc2C1=S	ZINC000026284512	EG	Annotated	Anodyne	
CN(C)CC[C@@H]1CN(C)C(=S)c2cc(-c3ccccc3)cnc2O1	ZINC000026287786	EG	Annotated	Anodyne	
CN(C)CC[C@H]1CN(C)C(=S)c2cc(-c3ccccc3)cnc2O1	ZINC000026287791	EG	Annotated	Anodyne	
CN(C)CCN1C(=O)c2cccc3nc(-c4ccccc4)cc(c23)C1=O	ZINC000026288951	EG	Annotated	Anodyne	
CCN(CC)c1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12	ZINC000026296645	EG	Annotated	Anodyne	
Brc1c(NC2=N[C@@H]3CCCC[C@@H]3N2)ccc2nccnc12	ZINC000026377166	EG	Annotated	Anodyne	 
CCc1nnc2c(N(C(C)=O)C(C)C)nc3ccc(Cl)cc3n12	ZINC000026377370	EG	Annotated	Anodyne	
CC(=O)N(c1nc2cc(Cl)c(Cl)cc2n2cnnc12)C(C)C	ZINC000026378324	EG	Annotated	Anodyne	
Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3C(F)(F)F)cc1	ZINC000026380405	EG	Annotated	Clean	
Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3C(F)(F)F)cc1	ZINC000026380407	EG	Annotated	Clean	
CCCCCO/N=C/c1cc(OC)c2c(c1OC)C(=O)C=CC2=O	ZINC000026383981	EG	Annotated	Mild	
Oc1ccc([C@@H]2CNCCc3c(Cl)c(O)c(O)c(Cl)c32)cc1	ZINC000026388883	EG	Annotated	Clean	
Oc1ccc([C@H]2CNCCc3c(Cl)c(O)c(O)c(Cl)c32)cc1	ZINC000026388886	EG	Annotated	Clean	
CC(C)OP(=O)(OC(C)C)C(Cl)(Cl)P(=O)(O)O	ZINC000026391549	EG	Annotated	Anodyne	
CC(C)(C(=O)O)c1ccc2c(c1)OC[C@H](Cc1cccc(F)c1)[C@H]2O	ZINC000026393987	EG	Annotated	Anodyne	
OCC(CO)NCCCc1ccc2ccc3cccc4ccc1c2c34	ZINC000026400302	EG	Annotated	Bother	
C[S@@](=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1	ZINC000026401242	EG	Annotated	Anodyne	
C[S@](=O)c1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1	ZINC000026401247	EG	Annotated	Anodyne	
CSc1ccc(C(=O)c2cc(CC(=O)O)cc3c2OCC3)cc1	ZINC000026401830	EG	Annotated	Anodyne	
C[C@]1(CF)C=C(/C(S)=N\CCC#N)c2cc([N+](=O)[O-])ccc2O1	ZINC000026402326	EG	Annotated	Mild	
C[C@@]1(CF)C=C(/C(S)=N\CCC#N)c2cc([N+](=O)[O-])ccc2O1	ZINC000026402329	EG	Annotated	Mild	
C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2	ZINC000026403980	EG	Annotated	Bother	
CNC(=S)C1=C[C@@](C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21	ZINC000026404255	EG	Annotated	Bother	
CNC(=S)C1=C[C@](C)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21	ZINC000026404256	EG	Annotated	Bother	
CC(C)O[P@@](=O)(O)C(Cl)(Cl)[P@@](=O)(O)OC(C)C	ZINC000026404395	EG	Annotated	Anodyne	
COc1ccc(NC(=O)OC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1	ZINC000026473015	EG	Annotated	Mild	
COc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)OC(C)(C)C)C3=CC2=O	ZINC000026473532	EG	Annotated	Mild	
Cc1cc([C@@H]2[C@@H](COC(=S)Oc3ccccc3)CCN2C)on1	ZINC000026474074	EG	Annotated	Anodyne	
Cc1[nH]c2nc(-c3ccccc3)nc(N[C@@H]3CCCCNC3=O)c2c1C	ZINC000026477357	EG	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)/N=C(\O)N(C)c2ccc(Cl)cc2)cc1	ZINC000026480278	EG	Annotated	Mild	
Cc1ccc(S(=O)(=O)/N=C(\O)Oc2ccc(Cl)cc2)cc1	ZINC000026482357	EG	Annotated	Mild	
CCCCCC[C@@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000026485253	EG	Annotated	Mild	
CCCCCC[C@H](O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O	ZINC000026485258	EG	Annotated	Mild	
Cc1cc(CCCOc2c(C)cc(-c3noc(N)n3)cc2C)on1	ZINC000026488899	EG	Annotated	Anodyne	
Cc1cc(CCCOc2c(C)cc(-c3noc(O)n3)cc2C)on1	ZINC000026492460	EG	Annotated	Anodyne	
CCN(CC)c1ncnc2c(Br)c(-c3ccccc3)nn12	ZINC000026496811	EG	Annotated	Anodyne	
O=C1C(Nc2ccc(Br)cc2)=CC(=O)c2ncccc21	ZINC000026497550	EG	Annotated	Mild	
C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnoc3)c2cn1)c1ccccc1	ZINC000261072046	EG	Annotated	Anodyne	
CSc1nn(-c2ccccc2)c2cc(N3C[C@H]4C[C@H]3CN4)ccc12	ZINC000261074038	EG	Annotated	Anodyne	 
CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@](C)(O)C3)cc1	ZINC000261085374	EG	Annotated	Anodyne	 
CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3CC[C@@H]2C[C@@](C)(O)C3)cc1	ZINC000261085375	EG	Annotated	Anodyne	 
C[C@H]1CN(c2nccnn2)CC[C@H]1Oc1cc(Cl)ccc1Cl	ZINC000261088259	EG	Annotated	Anodyne	
C[C@@H]1CN(c2nccnn2)CC[C@H]1Oc1cc(Cl)ccc1Cl	ZINC000261088260	EG	Annotated	Anodyne	
N#CCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1	ZINC000261106427	EG	Annotated	Reactive	aggregator
C[C@@H](NC(=O)Nc1cc2[nH]nc(C(C)(C)O)c2cn1)c1ccccc1	ZINC000261107374	EG	Annotated	Anodyne	
Cc1cc(Oc2ncccc2F)ccc1-c1c(C)c(O)nc(=O)n1C	ZINC000261113550	EG	Annotated	Anodyne	
Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CC1	ZINC000261118944	EG	Annotated	Anodyne	 
O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc(O)c1	ZINC000261123414	EG	Annotated	Clean	
COC(=O)N1CC[C@](O)(C#Cc2cccc(C)c2)[C@@H]2CCCC[C@H]21	ZINC000261126411	EG	Annotated	Mild	 
Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1	ZINC000261131630	EG	Annotated	Anodyne	 
CN(C)C(=S)N=c1ssc(=S)n1Cc1ccccc1	ZINC000261147760	EG	Annotated	Anodyne	 
Cc1cc(C)nc(N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)n1	ZINC000263590234	EG	Annotated	Anodyne	
Cc1cc(C)nc(N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)n1	ZINC000263590235	EG	Annotated	Anodyne	
C=C(C)[C@@H]1C(=O)C=C(C)C(=O)C[C@H](C(=C)C)CCC2=C[C@H]1OC2=O	ZINC000263590397	EG	Annotated	Mild	
COc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)s3)[nH]n2)cc1	ZINC000263590450	EG	Annotated	Reactive	
COc1ccc([C@@H]2C[C@@H]3CN(C4CCCCC4)C(=O)[C@@H]3N2C)cc1	ZINC000263590576	EG	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@@H]3CN(C4CCCCC4)C(=O)[C@H]3N2C)cc1	ZINC000263590577	EG	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@H]3CN(C4CCCCC4)C(=O)[C@H]3N2C)cc1	ZINC000263590578	EG	Annotated	Anodyne	
N#Cc1ccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1	ZINC000263590597	EG	Annotated	Mild	
N#Cc1ccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1	ZINC000263590598	EG	Annotated	Mild	
COc1ccc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1	ZINC000263590655	EG	Annotated	Anodyne	
COc1ccc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)cc1	ZINC000263590656	EG	Annotated	Anodyne	
N#Cc1cccc(NC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)c1	ZINC000263590681	EG	Annotated	Mild	
N#Cc1cccc(NC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3)c1	ZINC000263590682	EG	Annotated	Mild	
Cc1ccc(CNC(=O)O[C@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1	ZINC000263590922	EG	Annotated	Anodyne	
Cc1ccc(CNC(=O)O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCCCN2C3=O)cc1	ZINC000263590923	EG	Annotated	Anodyne	
COc1ccc([C@H]2CCc3cc4c(cc3C2=NO)OCO4)cc1OC	ZINC000263591175	EG	Annotated	Mild	
COc1ccc([C@@H]2CCc3cc4c(cc3C2=NO)OCO4)cc1OC	ZINC000263591176	EG	Annotated	Mild	
CCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(C)c1	ZINC000263591207	EG	Annotated	Mild	
COc1ccc(N=c2scc(C)n2CCCN2CCCC2=O)cc1	ZINC000263591964	EG	Annotated	Anodyne	
Cc1cccc(N=c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)n2O)c1	ZINC000263592014	EG	Annotated	Bother	
CC(=O)c1cccc(N2Cc3ccccc3C2=NC(=O)CCl)c1	ZINC000263592057	EG	Annotated	Reactive	
CC1(C)[C@@H]2C/C(=N\O)[C@@](C)(/[N+]([O-])=C/c3cccc([N+](=O)[O-])c3)C[C@H]21	ZINC000263592063	EG	Annotated	Mild	
CN=c1scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccco1	ZINC000263592076	EG	Annotated	Mild	
CN=c1scc(-c2ccc(OC)cc2)n1/N=C(\C)c1cccnc1	ZINC000263592078	EG	Annotated	Mild	
CC(C)N=c1scc(-c2ccco2)n1N/C=C1/C=CC(=O)C(O)=C1	ZINC000263592082	EG	Annotated	Mild	
Cc1c(Cl)cccc1N=c1c([N+](=O)[O-])nn(-c2ccccc2)n1O	ZINC000263592096	EG	Annotated	Bother	
CCN=c1scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1	ZINC000263592097	EG	Annotated	Mild	
COc1ccc(C(=O)N=c2sc3c(C)ccc(OC)c3n2C)cc1	ZINC000263592279	EG	Annotated	Anodyne	
Cc1nc2c(s1)-c1nc(N=C3C=C([N+](=O)[O-])C=CC3)ncc1CC2	ZINC000263620316	EG	Annotated	Mild	in-vitro
CNCc1ccc(N2CCCN(C(=O)CCC3CCCC3)C2)cc1	ZINC000263620411	EG	Annotated	Clean	
C=CC1=CC[C@H]2[C@@H](C[C@@H](O)[C@@]3(O)[C@@](C)(C(=O)O)CCC[C@]23C)[C@H]1C	ZINC000263620843	EG	Annotated	Anodyne	
CNCc1ccc(N2CCC(CCC(=O)N3CCCC3)CC2)cc1	ZINC000263621134	EG	Annotated	Clean	
O=C1CCCCC=CCCNC(=O)c2c(O)cc(O)c(Cl)c2C1	ZINC000263621140	EG	Annotated	Anodyne	in-vitro
C[C@]12CC=C3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@@H]1[C@H]1C=C[C@H]2C(=O)O1	ZINC000263635796	EG	Annotated	Anodyne	
C[C@]12CC=C3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1C=C[C@H]2C(=O)O1	ZINC000263635797	EG	Annotated	Anodyne	
C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]1(C)[C@H]3C=C[C@@H](OC3=O)[C@@H]21	ZINC000263635798	EG	Annotated	Anodyne	
C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@@H]2[C@H]2C=C[C@H]1C(=O)O2	ZINC000263635799	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2C[C@]3(C)O[C@@H]3CCC(C)=C[C@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000263636273	EG	Annotated	Mild	
O=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2ncccc21	ZINC000026503024	EG	Annotated	Mild	
Fc1ccc([C@@H]2NCCO[C@@]23COC[C@H](c2ccccc2)C3)cc1	ZINC000026567105	EG	Annotated	Anodyne	
Fc1ccc([C@@H]2NCCO[C@]23COC[C@H](c2ccccc2)C3)cc1	ZINC000026567109	EG	Annotated	Anodyne	
C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1	ZINC000026569656	EG	Annotated	Reactive	
C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1	ZINC000026569658	EG	Annotated	Reactive	
CCCCCn1ncc2c(N)c(C(=O)OCCC3CC3)c(C)nc21	ZINC000026573903	EG	Annotated	Anodyne	
NC(=O)N1c2ccccc2C[C@@H](OC(=O)CCl)c2ccccc21	ZINC000026575047	EG	Annotated	Reactive	
NC(=O)N1c2ccccc2C[C@H](OC(=O)CCl)c2ccccc21	ZINC000026575048	EG	Annotated	Reactive	
O=C1C=C[C@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)O1	ZINC000026576170	EG	Annotated	Anodyne	
CC(C)CN1CCN(CCc2ccc(-c3cccc(N)n3)cc2)CC1	ZINC000026576368	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)CC[C@]2(O)c3c(C=O)cccc3[C@@H]12	ZINC000026576493	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)CC[C@@]2(O)c3c(C=O)cccc3[C@@H]12	ZINC000026576494	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)CC[C@]2(O)c3c(C=O)cccc3[C@H]12	ZINC000026576495	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)CC[C@@]2(O)c3c(C=O)cccc3[C@H]12	ZINC000026576496	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CCC(=O)[C@@H]2CCC1=CCOC1=O	ZINC000026576726	EG	Annotated	Anodyne	
O=C1C=C[C@@H]([C@@H]2c3ccccc3CCN2C(=O)OCc2ccccc2)O1	ZINC000026576770	EG	Annotated	Anodyne	
C=CCN(CC=C)C(=O)c1cnc2c(cnn2CCCCC)c1N	ZINC000026577048	EG	Annotated	Mild	
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1CC=C2	ZINC000026577896	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)[C@@]2(O)c3c(C=O)cccc3[C@H]2CC1	ZINC000026578240	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)[C@@]2(O)c3c(C=O)cccc3[C@@H]2CC1	ZINC000026578241	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)[C@]2(O)c3c(C=O)cccc3[C@H]2CC1	ZINC000026578242	EG	Annotated	Anodyne	
COc1ccc2c(c1)c1c(n2C)[C@]2(O)c3c(C=O)cccc3[C@@H]2CC1	ZINC000026578243	EG	Annotated	Anodyne	
O=C1CCC(c2cn(Cc3ccccc3)c(-c3ccccc3)n2)=NN1	ZINC000026641687	EG	Annotated	Anodyne	
O=c1ccc(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n[nH]1	ZINC000026644643	EG	Annotated	Anodyne	
c1ccc2c(c1)[C@H]1CC(c3cocn3)(c3cocn3)[C@@H]2c2cccc[n+]21	ZINC000026646552	EG	Annotated	Anodyne	
c1ccc2c(c1)[C@@H]1CC(c3cocn3)(c3cocn3)[C@H]2c2cccc[n+]21	ZINC000026646557	EG	Annotated	Anodyne	
CCOC(=O)C(=O)/C=C\C(SCc1ccccc1)=C(/O)OCC	ZINC000026660011	EG	Annotated	Mild	
Cc1ccc(N2CCN(c3nc4ccccc4nc3C#N)CC2)cc1	ZINC000026662039	EG	Annotated	Mild	
O=C(N1Cc2cc(O)ccc2[C@H](c2ccc(O)cc2)C1)C(F)(F)F	ZINC000026663235	EG	Annotated	Anodyne	
O=C(N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1)C(F)(F)F	ZINC000026663241	EG	Annotated	Anodyne	
CCOC(=O)/C(=C/C=C(/Sc1ccccc1)C(=O)OCC)N(C)C	ZINC000026663457	EG	Annotated	Anodyne	
CCOC(=O)/C(=C/C=C(/C(=O)OCC)N(C)C)Sc1ccccc1	ZINC000026663463	EG	Annotated	Anodyne	
CCOC(=O)/C(=C\C=C(/C(=O)OCC)N(C)C)Sc1ccccc1	ZINC000026663469	EG	Annotated	Anodyne	
CCOC(=O)/C(=C/C=C(\C(=O)OCC)N(C)C)Sc1ccccc1	ZINC000026663475	EG	Annotated	Anodyne	
O=S(=O)(CC#CCCCCC#CCO)c1ccc2ccccc2c1	ZINC000026665748	EG	Annotated	Mild	
COc1ccc(-c2cc(/C=C3\CN4CCC3CC4)on2)cc1OC	ZINC000026666149	EG	Annotated	Anodyne	
O=S(=O)(CC#CCCCCC#CCO)c1cccc2ccccc12	ZINC000026670493	EG	Annotated	Mild	
CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc(O)c1C2=O	ZINC000026672759	EG	Annotated	Clean	
COc1ccc(-c2cc(/C=C3/CN4CCC3CC4)on2)cc1OC	ZINC000026673836	EG	Annotated	Anodyne	
C[C@@H](c1ccc(N)cc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O	ZINC000026717774	EG	Annotated	Anodyne	
O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1C1Cc2ccccc2C1	ZINC000026717861	EG	Annotated	Anodyne	
Fc1ccc(F)c(-c2csc(CC(=S)N3CCOCC3)n2)c1	ZINC000026717939	EG	Annotated	Anodyne	 
COc1ccc2c(c1)[C@@H]1O[C@@H]1Cc1cc(OC)c(OC)c(OC)c1-2	ZINC000026727323	EG	Annotated	Anodyne	
C[C@H](c1ccc(N)cc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O	ZINC000026729467	EG	Annotated	Anodyne	
O=C1CCCCN1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21	ZINC000026730233	EG	Annotated	Bother	
COc1ccc2cc1Oc1ccc(cc1)[C@H]1O[C@H]1COC(=O)CC2	ZINC000026737775	EG	Annotated	Anodyne	
COc1ccc2cc1Oc1ccc(cc1)[C@H]1O[C@@H]1COC(=O)CC2	ZINC000026737783	EG	Annotated	Anodyne	
COc1ccc2cc1Oc1ccc(cc1)[C@@H]1O[C@H]1COC(=O)CC2	ZINC000026737789	EG	Annotated	Anodyne	
COc1ccc2cc1Oc1ccc(cc1)[C@@H]1O[C@@H]1COC(=O)CC2	ZINC000026737794	EG	Annotated	Anodyne	
O=C1C=C(SCCC(=O)N2CCCCC2)C(=O)c2ccccc21	ZINC000026738260	EG	Annotated	Mild	
CCN(CC)CCNC(=O)C1=C(c2ccccc2)c2ccccc2C1=O	ZINC000026739362	EG	Annotated	Mild	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	ZINC000026752244	EG	Annotated	Anodyne	 
COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	ZINC000026752248	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	ZINC000026752252	EG	Annotated	Anodyne	 
COc1ccc([C@H]2CNC(=O)N2C)cc1O[C@H]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]12	ZINC000026752257	EG	Annotated	Anodyne	 
Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCCCl	ZINC000026820118	EG	Annotated	Reactive	
CC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](N2CCCCC2=O)[C@@H]1O	ZINC000026821433	EG	Annotated	Anodyne	
C[n+]1c(-c2ccc(/C=N/Nc3ccccn3)cc2)cn2ccccc21	ZINC000026826434	EG	Annotated	Mild	
C[n+]1c(-c2ccc(/C=N/Nc3nccs3)cc2)cn2ccsc21	ZINC000026827367	EG	Annotated	Mild	
O=C1C(N2CC2)=CC(=O)c2nc(-c3ccc4ccccc4c3)ccc21	ZINC000026828286	EG	Annotated	Mild	
CC1(C)Oc2cccc(C(F)(F)F)c2[C@@H](N2CCCCC2=O)[C@@H]1O	ZINC000026829274	EG	Annotated	Anodyne	
COc1cccc2c1cc1c3c(cccc32)C(=O)N(CCN(C)C)C1=O	ZINC000026831188	EG	Annotated	Bother	
CCN(CC)CCN[C@@H]1c2cccnc2COc2c(OC)cccc21	ZINC000026834171	EG	Annotated	Anodyne	
CCN(CC)CCN[C@H]1c2cccnc2COc2c(OC)cccc21	ZINC000026834172	EG	Annotated	Anodyne	
CCN(CC)CCN[C@H]1c2ccc(OC)cc2OCc2ncccc21	ZINC000026835444	EG	Annotated	Anodyne	
CCN(CC)CCN[C@@H]1c2ccc(OC)cc2OCc2ncccc21	ZINC000026835448	EG	Annotated	Anodyne	
CCN(CC)CCN[C@H]1c2cc(C)ccc2OCc2ncccc21	ZINC000026836150	EG	Annotated	Anodyne	
CCN(CC)CCN[C@@H]1c2cc(C)ccc2OCc2ncccc21	ZINC000026836154	EG	Annotated	Anodyne	
CCN(CC)CCN[C@H]1c2cc(F)ccc2OCc2ncccc21	ZINC000026836428	EG	Annotated	Anodyne	
CCN(CC)CCN[C@@H]1c2cc(F)ccc2OCc2ncccc21	ZINC000026836432	EG	Annotated	Anodyne	
CCN1CCC[C@@H](c2cccc(S(=O)(=O)OC(F)(F)F)c2)C1	ZINC000026837640	EG	Annotated	Mild	
CN1CCCN(C(=O)c2cc3c(cn2)sc2ccccc23)CC1	ZINC000026839565	EG	Annotated	Anodyne	
COC(=O)CCCNC(=O)c1cc2c(cn1)sc1ccccc12	ZINC000026840687	EG	Annotated	Anodyne	
CCCNC[C@@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21	ZINC000026850205	EG	Annotated	Mild	
CCCNC[C@H](O)CO/N=C1\CCCOc2ccc3ccccc3c21	ZINC000026850212	EG	Annotated	Mild	
CCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)[C@H](C)N2	ZINC000026935116	EG	Annotated	Anodyne	
CCOC(=O)Nc1cc2c(c(N)n1)N=C(Cc1ccccc1)[C@@H](C)N2	ZINC000026935120	EG	Annotated	Anodyne	
CCCNC[C@@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21	ZINC000026936148	EG	Annotated	Mild	
CCCNC[C@H](O)CO/N=C1\CCCOc2c1ccc1ccccc21	ZINC000026936153	EG	Annotated	Mild	
CN1[C@H]2CC[C@@H]1CC(NC(=O)c1c(Cl)ccc3c1OC(C)(C)C3)C2	ZINC000026936368	EG	Annotated	Anodyne	
CC(=O)OC[C@H]1CC[C@]2(O)CC3(CC[C@]12C)SCCCS3	ZINC000026945988	EG	Annotated	Anodyne	
Cc1cc2c(c(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c1)OC(C)(C)C2	ZINC000026949699	EG	Annotated	Anodyne	
CC(C)OC(=O)NCCOc1ccc(C[C@@H]2CCCC[C@H]2O)cc1	ZINC000026959048	EG	Annotated	Anodyne	
CCC/C(=N\N=C(/S)N1CC2CCC(CC2)C1)c1cccnn1	ZINC000026973165	EG	Annotated	Mild	
O=c1c(CNc2ccccc2)c[nH]c2nc(N3CCCC3)c(F)cc12	ZINC000026981945	EG	Annotated	Anodyne	
c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@@H]1C[C@H]21	ZINC000027078902	EG	Annotated	Mild	
c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@H]1C[C@H]21	ZINC000027078909	EG	Annotated	Mild	
c1ccc2c(c1)C(=NCCN1CCOCC1)c1ccccc1[C@@H]1C[C@@H]21	ZINC000027078914	EG	Annotated	Mild	
CCC(C)(C)/N=C(\NC#N)Nc1cc(Br)cc(C#N)c1	ZINC000027079260	EG	Annotated	Mild	
CCOc1ccccc1/N=C1/C(=O)c2cncnc2C(O)=C1Cl	ZINC000027081120	EG	Annotated	Mild	
O=C1C[C@H](c2ccncc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027085601	EG	Annotated	Anodyne	
O=C1C[C@@H](c2ccncc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O	ZINC000027085608	EG	Annotated	Anodyne	
CCCCCN(C)C(=N)N/N=C/c1c[nH]c2c(C)cc(OC)cc12	ZINC000027093880	EG	Annotated	Mild	
C/C(=C\Cn1oc(=O)nc1O)c1cccc(OCc2ccccc2)c1	ZINC000027099830	EG	Annotated	Anodyne	
O=C1CC2(CCCC2)C(=O)N1OCc1ccccc1C(F)(F)F	ZINC000027103497	EG	Annotated	Anodyne	
CC1(C)CC(NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O	ZINC000027103819	EG	Annotated	Anodyne	
C[C@@H]1CC(=O)NN=C1/C=C/c1ccc(-n2cnc3c2CCCC3)cc1	ZINC000027104173	EG	Annotated	Anodyne	
C[C@H]1CC(=O)NN=C1/C=C/c1ccc(-n2cnc3c2CCCC3)cc1	ZINC000027104177	EG	Annotated	Anodyne	
O=C1CC2(CCCC2)C(=O)N1OCc1ccc(C(F)(F)F)cc1	ZINC000027105666	EG	Annotated	Anodyne	
O=C1CC2(CCCC2)C(=O)N1OCc1ccccc1Br	ZINC000027105904	EG	Annotated	Anodyne	
Oc1cc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl	ZINC000027106039	EG	Annotated	Clean	
Oc1cc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl	ZINC000027106040	EG	Annotated	Clean	
COc1cc2c3c(cc4cc(OC)c(O)c(OC)c4c3c1)N(C)C2=O	ZINC000027106666	EG	Annotated	Bother	
O=C1C(Cl)=C(Nc2ccccc2)C(=O)c2[nH]c(C(F)(F)F)nc21	ZINC000027109636	EG	Annotated	Mild	
CCN(CC)C/C(O)=N/c1nc2cc3nc(N)sc3cc2s1	ZINC000027109660	EG	Annotated	Mild	
O=C1C(Cl)=C(Nc2ccc(C(F)(F)F)cc2)C(=O)c2[nH]cnc21	ZINC000027110248	EG	Annotated	Mild	
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1	ZINC000027110253	EG	Annotated	Anodyne	
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)[C@H]1Cc2c(sc3ccccc23)CN1	ZINC000027110255	EG	Annotated	Anodyne	
Cc1ccc([C@H](O)[C@H]2CN(C)CC[C@@]2(O)c2ccc(C)cc2)cc1	ZINC000027180416	EG	Annotated	Anodyne	
COc1ccccc1-c1oc2c(CC(=O)O)cccc2c(=O)c1OC	ZINC000027185772	EG	Annotated	Anodyne	
COc1cccc(-c2oc3c(CC(=O)O)cccc3c(=O)c2OC)c1	ZINC000027186997	EG	Annotated	Anodyne	
CC(C)(C)c1cc(-c2nsc(N=C(N)N)n2)cc(C(C)(C)C)c1O	ZINC000027194174	EG	Annotated	Mild	
Clc1ccccc1-c1ccc(N2CCC3(CC2)OCCO3)nn1	ZINC000027203813	EG	Annotated	Anodyne	
CCC1=C(C)N[C@@H](OC)C(CCCN2C(=O)c3ccccc3C2=O)=C1	ZINC000027206969	EG	Annotated	Anodyne	
CCC1=C(C)N[C@H](OC)C(CCCN2C(=O)c3ccccc3C2=O)=C1	ZINC000027206974	EG	Annotated	Anodyne	
CCCCc1nc2[nH]ncc2c2nc(-c3ccc(OCC)cc3)nn12	ZINC000027211344	EG	Annotated	Anodyne	
COS(=O)(=O)c1cccc(-c2ccoc2C2=CN3CCC2CC3)c1	ZINC000027212515	EG	Annotated	Mild	
O=C1CN2Cc3c(sc4c3CCC[C@@H]4Cc3ccccc3)N=C2N1	ZINC000027212724	EG	Annotated	Anodyne	
Cc1ccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1	ZINC000027212877	EG	Annotated	Reactive	
O=C(O)C[C@@H]1CCc2cc(NCCCC3CCNCC3)ccc2C1=O	ZINC000027300657	EG	Annotated	Anodyne	
O=C(O)C[C@H]1CCc2cc(NCCCC3CCNCC3)ccc2C1=O	ZINC000027300663	EG	Annotated	Anodyne	
Cc1cccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1	ZINC000027304338	EG	Annotated	Reactive	
C=CCN1CCc2c(cc(O)c(O)c2F)[C@H](c2ccc(O)cc2)C1	ZINC000027310711	EG	Annotated	Mild	
C=CCN1CCc2c(cc(O)c(O)c2F)[C@@H](c2ccc(O)cc2)C1	ZINC000027310716	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C(F)(F)F)C[C@H]1C	ZINC000027324386	EG	Annotated	Mild	
C[n+]1c(-c2cccc(C(=O)O)c2)c2cc(N)ccc2c2ccc(N)cc21	ZINC000027325022	EG	Annotated	Bother	
COC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2Br)C[C@H]1C	ZINC000027325869	EG	Annotated	Mild	
CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC)c(Cl)c2)C[C@H]1C	ZINC000027327668	EG	Annotated	Mild	
COC(=O)Nc1nc2cc(C(=O)c3cc(CC#N)cs3)ccc2[nH]1	ZINC000027332286	EG	Annotated	Mild	
COc1cc2c(c(OC)c1OC)[C@H](c1cccc(OC)c(=O)c1)CC2	ZINC000027407756	EG	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)[C@@H](c1cccc(OC)c(=O)c1)CC2	ZINC000027407760	EG	Annotated	Anodyne	
CNc1cccc([C@@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1=O	ZINC000027408010	EG	Annotated	Anodyne	
CNc1cccc([C@H]2CCc3cc(OC)c(OC)c(OC)c32)cc1=O	ZINC000027408015	EG	Annotated	Anodyne	
CC(C)c1csc(/C=C/c2ccn3c(=O)c(C(=O)O)cnc3c2)n1	ZINC000027421318	EG	Annotated	Anodyne	
COc1ccc(/C(=N\O)c2cccc(NS(=O)(=O)C(C)C)c2)cc1	ZINC000027422044	EG	Annotated	Mild	
CC(C)Oc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1	ZINC000027426652	EG	Annotated	Mild	
CCCOc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1	ZINC000027426895	EG	Annotated	Mild	
COc1nc(N(C)c2ccccc2)c2cc(OC)c(OC)cc2n1	ZINC000027427482	EG	Annotated	Anodyne	
CC(C)/C=C/C(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000027427928	EG	Annotated	Mild	
CC(C)/C=C/C(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000027427933	EG	Annotated	Mild	
CC(C)/C=C/C(=O)[C@@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000027427938	EG	Annotated	Mild	
CC(C)/C=C/C(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CC(=O)O)CO1	ZINC000027427943	EG	Annotated	Mild	
CCN(CC)c1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1	ZINC000027429227	EG	Annotated	Mild	
CC(C)COc1ccc(/C=C2/Oc3c(ccc(O)c3O)C2=O)c(O)c1	ZINC000027429287	EG	Annotated	Mild	
C[n+]1cc2c3cc4c(cc3ccc2c2ccc3c(c21)OCO3)OCO4	ZINC000027430503	EG	Annotated	Bother	
Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C=N2	ZINC000027434262	EG	Annotated	Anodyne	
Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccc(F)cc1	ZINC000027443149	EG	Annotated	Mild	
CCc1nc#cn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000027518325	EG	Annotated	Anodyne	
CCc1nc#cn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000027518326	EG	Annotated	Anodyne	
CCCCOc1nc(C[C@@]2(c3ccccc3)CCCO2)cc(=O)n1C	ZINC000027521128	EG	Annotated	Anodyne	
CCCCOc1nc(C[C@]2(c3ccccc3)CCCO2)cc(=O)n1C	ZINC000027521131	EG	Annotated	Anodyne	
CCOC(=O)COc1ccccc1-c1nc(C)c(-c2cccnc2)[nH]1	ZINC000027522082	EG	Annotated	Anodyne	
CC(=O)OCc1c(COC(C)=O)c(-c2cccs2)n2c1CCC2	ZINC000027523591	EG	Annotated	Anodyne	
Cc1ccc(C(F)(F)F)cc1[C@H](C)S(=O)(=O)c1cccc[n+]1[O-]	ZINC000027524682	EG	Annotated	Anodyne	
Cc1ccc(C(F)(F)F)cc1[C@@H](C)S(=O)(=O)c1cccc[n+]1[O-]	ZINC000027524683	EG	Annotated	Anodyne	
CC1CCN(c2nc3sc4c(Cl)nnnc4c3cc2C#N)CC1	ZINC000027525688	EG	Annotated	Mild	
C[C@@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-]	ZINC000027526495	EG	Annotated	Anodyne	
C[C@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc[n+]1[O-]	ZINC000027526497	EG	Annotated	Anodyne	
Cc1c(Cl)ccc([C@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1Cl	ZINC000027526947	EG	Annotated	Anodyne	
Cc1c(Cl)ccc([C@@H](C)S(=O)(=O)c2cccc[n+]2[O-])c1Cl	ZINC000027526948	EG	Annotated	Anodyne	
CCOC(=O)Nc1cc(N)c2c(n1)N[C@@H](C)C(c1ccccc1)=N2	ZINC000027548557	EG	Annotated	Anodyne	
COc1cc2nc(SCc3ccccc3)oc(=O)c2cc1OC	ZINC000027548746	EG	Annotated	Anodyne	
N/C(=N\c1nc(-c2ccccn2)cc2ccccc12)c1cnccn1	ZINC000027552622	EG	Annotated	Mild	
COc1cc2c(c(N)c1O)C/C(=C\c1cc(C)c(O)c(C)c1)C2=O	ZINC000027552730	EG	Annotated	Mild	
COc1cc2c(cc1OC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C2	ZINC000027552742	EG	Annotated	Mild	
COc1cc2c(cc1OC)C(=O)/C(=C/c1cc([N+](=O)[O-])ccc1O)C2	ZINC000027552971	EG	Annotated	Mild	
COC(=O)Cc1cccc2c(=O)c3ccc4c(c3oc12)CC(C)(C)O4	ZINC000027554397	EG	Annotated	Bother	
COc1ccc2cc3ccccc3c3c2c1C(=O)N(CCN(C)C)C3=O	ZINC000027554496	EG	Annotated	Bother	
CC1(C)OC(C)(C)c2c1nnc(-c1cccc(C(F)(F)F)c1)[n+]2[O-]	ZINC000027554649	EG	Annotated	Anodyne	
CS(=O)(=O)Nc1cc2c(cc1Sc1ccsc1)C(=O)CC2	ZINC000027554685	EG	Annotated	Anodyne	
CC1(C)Oc2ccc(-c3ccncc3)cc2[C@@H](n2ccccc2=O)[C@@H]1O	ZINC000027554767	EG	Annotated	Anodyne	
COc1cc2c(c(N)c1OC)C(=O)/C(=C/c1cc(C)c(N)c(C)c1)C2	ZINC000027555011	EG	Annotated	Mild	
CN(C)CCN1C(=O)c2cccc3cc4ccc(C#N)cc4c(c23)C1=O	ZINC000027555761	EG	Annotated	Mild	
Cc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O	ZINC000027555764	EG	Annotated	Bother	
Cc1ccc2cc3ccccc3c3c2c1C(=O)N(CCN(C)C)C3=O	ZINC000027555905	EG	Annotated	Bother	
COc1ccc(COc2cccc3c2CCC[C@@H]3N(O)C(N)=O)cc1	ZINC000027557187	EG	Annotated	Anodyne	
COc1ccc(COc2cccc3c2CCC[C@H]3N(O)C(N)=O)cc1	ZINC000027557189	EG	Annotated	Anodyne	
COc1ccc2c3c4c(cccc4cc2c1)C(=O)N(CCN(C)C)C3=O	ZINC000027557250	EG	Annotated	Bother	
COc1cccc2c3c4c(cccc4cc12)C(=O)N(CCN(C)C)C3=O	ZINC000027557997	EG	Annotated	Bother	
Oc1ccc(N(CCBr)CCBr)c(F)c1	ZINC000027558070	EG	Annotated	Reactive	 
COc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O	ZINC000027558669	EG	Annotated	Bother	
Nc1ccc(N(CCBr)CCBr)c(F)c1	ZINC000027558763	EG	Annotated	Reactive	
CCN(CC)[C@@H](C)CCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O	ZINC000027562988	EG	Annotated	Anodyne	
CCN(CC)[C@H](C)CCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O	ZINC000027562990	EG	Annotated	Anodyne	
CCN(CC)[C@@H](C)CCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O	ZINC000027562992	EG	Annotated	Anodyne	
CCN(CC)[C@H](C)CCN1C(=O)C[C@]2(CCCc3ccccc32)C1=O	ZINC000027562994	EG	Annotated	Anodyne	
C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2C=O	ZINC000027563986	EG	Annotated	Mild	
C[C@@H]1CC[C@H]2C(=O)[C@H]3O[C@]3(C)CC[C@@H]3O[C@@]3(C)CC[C@]1(C)[C@H]2CO	ZINC000027564109	EG	Annotated	Anodyne	
CCN(CC)[P@@](=O)(OCCc1noc2ccccc12)N(C)C	ZINC000027618375	EG	Annotated	Anodyne	 
CCN(CC)[P@](=O)(OCCc1noc2ccccc12)N(C)C	ZINC000027618381	EG	Annotated	Anodyne	 
CC(C)N(CCN(C(=O)N(C)C)c1cccc(Cl)n1)C(C)C	ZINC000027620182	EG	Annotated	Anodyne	
CC(C)N(CCN(C(=O)N(C)C)c1ccc(Cl)cn1)C(C)C	ZINC000027624199	EG	Annotated	Anodyne	
Cc1[nH]ccc1-c1nc(/N=C(\N)NCc2ccccc2)sc1C	ZINC000027629316	EG	Annotated	Mild	
Cc1cc(-c2nc(/N=C(\N)NCc3ccccc3)sc2C)c[nH]1	ZINC000027631053	EG	Annotated	Mild	
C[C@@H](Br)COc1oc(=O)c2cc(N)ccc2c1Cl	ZINC000027632814	EG	Annotated	Reactive	
C[C@H](Br)COc1oc(=O)c2cc(N)ccc2c1Cl	ZINC000027632820	EG	Annotated	Reactive	
C=CCOCn1c(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O	ZINC000027645218	EG	Annotated	Mild	
Cn1cccc1C(=O)CCCCOc1ccc(C2=NCCO2)cc1	ZINC000027647788	EG	Annotated	Anodyne	
N[P@](=O)(OCc1ccc(F)cc1F)N(CCCl)CCCl	ZINC000027648490	EG	Annotated	Reactive	 
O=C1C(CC#CCCl)C(=O)N(c2ccccc2)N1c1ccccc1	ZINC000027648691	EG	Annotated	Reactive	
CC(C)=CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O	ZINC000027651077	EG	Annotated	Anodyne	
C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC[C@@H](O)CO	ZINC000027652532	EG	Annotated	Anodyne	
C/C(=C\c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)OC[C@H](O)CO	ZINC000027652536	EG	Annotated	Anodyne	
COc1cc(-c2cc3nc(C)cc(S)n3n2)cc(OC)c1OC	ZINC000027703599	EG	Annotated	Anodyne	
O=S(=O)(C1=C(c2ccccc2)N2CCN=C2S1)c1ccccc1	ZINC000027710022	EG	Annotated	Anodyne	
CN(C)CCCOC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1	ZINC000027715117	EG	Annotated	Anodyne	
C[n+]1nn(Cc2ccccc2)c(O)c1Cc1ccc2ccccc2c1	ZINC000027715439	EG	Annotated	Anodyne	
CCOC(=O)c1c2cccccc-2c2c(OCC)oc(=O)c(C#N)c12	ZINC000027715814	EG	Annotated	Mild	
CCN(CC)CCNc1nc2c(=O)c3cc(C)ccc3[nH]c2s1	ZINC000027734777	EG	Annotated	Anodyne	
CC(=O)SC[C@H](C)C(=O)N(CC(=O)O)c1ccc(C(C)C)cc1	ZINC000027735922	EG	Annotated	Anodyne	
CC(=O)SC[C@@H](C)C(=O)N(CC(=O)O)c1ccc(C(C)C)cc1	ZINC000027735931	EG	Annotated	Anodyne	
CCCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3ccccc23)C1	ZINC000027738309	EG	Annotated	Anodyne	
CCCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3ccccc23)C1	ZINC000027738317	EG	Annotated	Anodyne	
CCN(CC)CCNc1nc2c(=O)c3cc(F)ccc3[nH]c2s1	ZINC000027739188	EG	Annotated	Anodyne	
C[C@@H](CN1CCc2c(c(=O)oc3ccccc23)C1)N1CCCCC1	ZINC000027741983	EG	Annotated	Anodyne	
C[C@H](CN1CCc2c(c(=O)oc3ccccc23)C1)N1CCCCC1	ZINC000027741990	EG	Annotated	Anodyne	
Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@H](C)N1CCCC1)C3	ZINC000027742455	EG	Annotated	Anodyne	
Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@@H](C)N1CCCC1)C3	ZINC000027742463	EG	Annotated	Anodyne	
CCN(CC)[C@@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1	ZINC000027744646	EG	Annotated	Anodyne	
CCN(CC)[C@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1	ZINC000027744656	EG	Annotated	Anodyne	
CCCN(C)[C@@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1	ZINC000027744665	EG	Annotated	Anodyne	
CCCN(C)[C@H](C)CN1CCc2c(c(=O)oc3cc(C)ccc23)C1	ZINC000027744675	EG	Annotated	Anodyne	
Cc1ccc2c3c(c(=O)oc2c1)CN(C[C@H](C)N1CCCCC1)CC3	ZINC000027745154	EG	Annotated	Anodyne	
Cc1ccc2c3c(c(=O)oc2c1)CN(C[C@@H](C)N1CCCCC1)CC3	ZINC000027745162	EG	Annotated	Anodyne	
O=S1(=O)N=C(O)c2sc3ccccc3c2N1Cc1ccccc1	ZINC000027759265	EG	Annotated	Anodyne	
N=C(Nc1ccc(C(N)=O)cc1)N1Cc2cccc3c2[C@@H](CCC3)C1	ZINC000027765411	EG	Annotated	Anodyne	
N=C(Nc1ccc(C(N)=O)cc1)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000027765418	EG	Annotated	Anodyne	
CCCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1	ZINC000027767001	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)[S@@](C)(=O)=N/C(=N/Cc1ccccc1)N2	ZINC000027767650	EG	Annotated	Mild	
N/C(=N\c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3c2[C@@H](CCC3)C1	ZINC000027768847	EG	Annotated	Mild	
N/C(=N\c1ccc([N+](=O)[O-])cc1)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000027768852	EG	Annotated	Mild	
C#CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1	ZINC000027843941	EG	Annotated	Mild	
C#CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1	ZINC000027843948	EG	Annotated	Mild	
COc1cc2c(cc1OC)[S@@](C)(=O)=NC(Nc1ccccc1)=N2	ZINC000027846826	EG	Annotated	Anodyne	
O=S(=O)(c1nc2cc(Cl)ccc2[nH]1)C(F)(F)C(F)(F)F	ZINC000027850664	EG	Annotated	Anodyne	
NC[C@@H](CC(=O)O)c1ccc(OCc2ccc(Cl)s2)cc1	ZINC000027851617	EG	Annotated	Anodyne	
NC[C@H](CC(=O)O)c1ccc(OCc2ccc(Cl)s2)cc1	ZINC000027851624	EG	Annotated	Anodyne	
CC(C)(C)c1cc(I)c2c(c1)CNC(=O)O2	ZINC000027852783	EG	Annotated	Anodyne	
CCOC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCN(C)CC1	ZINC000027852947	EG	Annotated	Anodyne	
CCN1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4	ZINC000027853955	EG	Annotated	Anodyne	
C=CCNC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1	ZINC000027856288	EG	Annotated	Mild	
C[N+](C)(C)CCO[P@](=O)(O)OCC12CC3CC(CC(C3)C1)C2	ZINC000027862674	EG	Annotated	Bother	
C[N+]1(CCOc2cccc(I)c2)CCCCC1	ZINC000027868509	EG	Annotated	Bother	
CCN(CC)CCN[C@@H]1c2cccnc2COc2c(C)cccc21	ZINC000027869842	EG	Annotated	Anodyne	
CCN(CC)CCN[C@H]1c2cccnc2COc2c(C)cccc21	ZINC000027869848	EG	Annotated	Anodyne	
CCN(CC)CCCN[C@H]1c2ccccc2OCc2ncccc21	ZINC000027869922	EG	Annotated	Anodyne	
CCN(CC)CCCN[C@@H]1c2ccccc2OCc2ncccc21	ZINC000027869930	EG	Annotated	Anodyne	
Cc1oc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1CO	ZINC000027870419	EG	Annotated	Anodyne	
CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2	ZINC000027872877	EG	Annotated	Anodyne	
CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2	ZINC000027872884	EG	Annotated	Anodyne	
CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2	ZINC000027872887	EG	Annotated	Anodyne	
CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC[C@]2(C(=O)O)CC[C@H]1O2	ZINC000027872895	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)c1ncn2c1[C@H]1CCC(=O)N1c1ccccc1-2	ZINC000027875652	EG	Annotated	Anodyne	
Cc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)oc1CO	ZINC000027875691	EG	Annotated	Anodyne	
CCN(CC)C[C@@H](C)N[C@H]1c2ccccc2OCc2ncccc21	ZINC000027877827	EG	Annotated	Anodyne	
CCN(CC)C[C@H](C)N[C@H]1c2ccccc2OCc2ncccc21	ZINC000027877834	EG	Annotated	Anodyne	
CCN(CC)C[C@@H](C)N[C@@H]1c2ccccc2OCc2ncccc21	ZINC000027877841	EG	Annotated	Anodyne	
CCN(CC)C[C@H](C)N[C@@H]1c2ccccc2OCc2ncccc21	ZINC000027877847	EG	Annotated	Anodyne	
CC(C)=CC[C@H](O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O	ZINC000027882173	EG	Annotated	Anodyne	
CC(C)=CC[C@H](O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O	ZINC000027882181	EG	Annotated	Anodyne	
CC(C)=CC[C@@H](O)[C@@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O	ZINC000027882188	EG	Annotated	Anodyne	
CC(C)=CC[C@@H](O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O	ZINC000027882196	EG	Annotated	Anodyne	
CCCN(C(=O)c1ccc(C(=O)O)cc1)c1ccc(C(C)=O)c(O)c1	ZINC000027894936	EG	Annotated	Anodyne	
C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCc2c(ccc(O)c2O)C1	ZINC000027895716	EG	Annotated	Clean	
C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCc2c(ccc(O)c2O)C1	ZINC000027895721	EG	Annotated	Clean	
C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCc2c(ccc(O)c2O)C1	ZINC000027895729	EG	Annotated	Clean	
C[C@H](CCc1ccc(O)cc1)N[C@H]1CCc2c(ccc(O)c2O)C1	ZINC000027895735	EG	Annotated	Clean	
CC[C@@]12CCC[C@H]3[C@H](N)Cc4c(n(c5cc(O)c(O)cc45)C(=O)C1)[C@H]32	ZINC000027898591	EG	Annotated	Clean	
O=C(c1ccccc1)c1c(Br)cc2n1CC[C@H]2C(=O)O	ZINC000027899555	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1c(Br)cc2n1CC[C@@H]2C(=O)O	ZINC000027899557	EG	Annotated	Anodyne	
COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@@H]2C(=O)O	ZINC000027977820	EG	Annotated	Anodyne	
COCCCc1cc2n(c1C(=O)c1ccc(F)cc1)CC[C@H]2C(=O)O	ZINC000027977825	EG	Annotated	Anodyne	
C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1	ZINC000027979040	EG	Annotated	Clean	
C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCc2cc(O)c(O)cc2C1	ZINC000027979047	EG	Annotated	Clean	
C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1	ZINC000027979054	EG	Annotated	Clean	
C[C@H](CCc1ccc(O)cc1)N[C@H]1CCc2cc(O)c(O)cc2C1	ZINC000027979063	EG	Annotated	Clean	
Cc1cccc([C@@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)c1	ZINC000027980068	EG	Annotated	Anodyne	
Cc1cccc([C@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)c1	ZINC000027980070	EG	Annotated	Anodyne	
Cc1ccc([C@@]2(c3cccc(C(F)(F)F)c3)NC(=O)NC2=O)cc1	ZINC000027982384	EG	Annotated	Anodyne	
Cc1ccc([C@]2(c3cccc(C(F)(F)F)c3)NC(=O)NC2=O)cc1	ZINC000027982390	EG	Annotated	Anodyne	
C/C(=N\N=C(/S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc12	ZINC000027983418	EG	Annotated	Mild	
C/C(=N\N=C(/S)N1C[C@H](C)O[C@H](C)C1)c1nccc2ccccc12	ZINC000027983424	EG	Annotated	Mild	
C/C(=N\N=C(/S)N1C[C@H](C)O[C@@H](C)C1)c1nccc2ccccc12	ZINC000027983434	EG	Annotated	Mild	
C[C@H](N/N=C(\S)N1C[C@@H](C)O[C@H](C)C1)c1nccc2ccccc12	ZINC000027983488	EG	Annotated	Mild	
C[C@H]1CN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)C[C@@H](C)O1	ZINC000027983493	EG	Annotated	Mild	
C[C@@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@@H](C)O1	ZINC000027983499	EG	Annotated	Mild	
C[C@H]1CN(/C(S)=N/N[C@H](C)c2nccc3ccccc23)C[C@@H](C)O1	ZINC000027983506	EG	Annotated	Mild	
Cc1ccc([C@@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)cc1	ZINC000027987808	EG	Annotated	Anodyne	
Cc1ccc([C@]2(c3ccc(C(F)(F)F)cc3)NC(=O)NC2=O)cc1	ZINC000027987814	EG	Annotated	Anodyne	
CC(C)(C)ONC(=O)c1cc(/N=C/c2cc(O)ccc2O)ccc1O	ZINC000027990971	EG	Annotated	Mild	
COc1ccc(/C=C/c2ncnc3c2ncn3C2CCOCC2)cc1	ZINC000027995552	EG	Annotated	Anodyne	
Clc1nc2c(C#Cc3ccccc3)ncnc2n1C1CCOCC1	ZINC000027995642	EG	Annotated	Mild	
O=C1NC(=S)NC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000027996273	EG	Annotated	Anodyne	
O=C(c1ccco1)c1cc2c(c(Cl)c1Cl)O[C@H](C(=O)O)C2	ZINC000027996493	EG	Annotated	Anodyne	
O=C(c1ccco1)c1cc2c(c(Cl)c1Cl)O[C@@H](C(=O)O)C2	ZINC000027996497	EG	Annotated	Anodyne	
CC(C)NCc1ccc(I)c(CNC(C)C)c1	ZINC000027997198	EG	Annotated	Anodyne	
CSc1ccc2[nH]c(O)c(C(=O)N(C)c3ccccc3)c(=O)c2c1	ZINC000028000839	EG	Annotated	Anodyne	
NC(=O)[C@@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1	ZINC000028004412	EG	Annotated	Anodyne	
NC(=O)[C@H]1Cc2cc(C(=O)c3cccs3)c(Cl)c(Cl)c2O1	ZINC000028004416	EG	Annotated	Anodyne	
Clc1ccccc1CN1CCc2c(C3CC3)nc3ncnn3c21	ZINC000028005981	EG	Annotated	Anodyne	
COc1ccc(-c2nc3nc(C)c4c(n3n2)N(C(C)(C)C)CC4)cc1	ZINC000028007556	EG	Annotated	Anodyne	
CCCCN(CCCC)CCCN1CCc2c(C)nc3ncnn3c21	ZINC000028010303	EG	Annotated	Anodyne	
COc1ccc2sc(/C(O)=N/c3nn[nH]n3)c(OC(C)(C)C)c2c1	ZINC000028014620	EG	Annotated	Mild	
CN1CCN2c3ccc(Cl)c(-c4ccccc4)c3CNC[C@H]2C1	ZINC000028017234	EG	Annotated	Anodyne	
CN(C)C(=S)CCCCCn1nc(-c2ccccc2)ccc1=O	ZINC000028021206	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)(C)C)C[C@H](N)CC2	ZINC000028022213	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)(C)C)C[C@@H](N)CC2	ZINC000028022218	EG	Annotated	Anodyne	
COc1cc([C@H]2C[C@@H](OC)c3cc4c(cc32)OCO4)cc(OC)c1O	ZINC000028089208	EG	Annotated	Anodyne	
COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@H]3CNCC2	ZINC000028092886	EG	Annotated	Clean	
COc1cc2c3c(c1OC)N(c1ccc(F)cc1)C[C@@H]3CNCC2	ZINC000028092892	EG	Annotated	Clean	
Cc1ccc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)cn1	ZINC000028094395	EG	Annotated	Anodyne	
CCOC(=O)Nc1ccc2cc3ccc(NC)c(CO)c3nc2c1	ZINC000028095680	EG	Annotated	Bother	
Cc1cccc(C(=O)C2=C(N(C)C)C(=O)NC3(CCC3)C23CCC3)c1	ZINC000028095893	EG	Annotated	Mild	
CC(C)Oc1c(/C(O)=N/c2nn[nH]n2)sc2ccc(Cl)cc12	ZINC000028096927	EG	Annotated	Mild	
Cc1ccc(N/C(O)=N/S(=O)(=O)c2cc3ccccc3o2)cc1	ZINC000028099877	EG	Annotated	Mild	
COc1cc([C@H]2C[C@H](OC)c3cc4c(cc32)OCO4)cc(OC)c1O	ZINC000028101015	EG	Annotated	Anodyne	
CCNC(=S)Nc1c(Cc2cccc(C)c2)c(CC)c(C)[nH]c1=O	ZINC000028105630	EG	Annotated	Anodyne	
S=C=Nc1ccc2nc(-c3ccc(N4CCOCC4)nc3)oc2c1	ZINC000028108117	EG	Annotated	Reactive	
O=C1NCc2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4	ZINC000028113546	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@H](O)O2	ZINC000028121013	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2c(c1O)NC1(CCCCC1)[C@@H](O)O2	ZINC000028121020	EG	Annotated	Anodyne	
COc1ccc(N(CC2CCCC2)C(=O)Nc2nncs2)cn1	ZINC000028130009	EG	Annotated	Anodyne	
CCNCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(C)cc1	ZINC000028218052	EG	Annotated	Anodyne	
CCNCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(C)cc1	ZINC000028218054	EG	Annotated	Anodyne	
CCNCCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccccc1	ZINC000028219506	EG	Annotated	Anodyne	
CCNCCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccccc1	ZINC000028219510	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1	ZINC000028224441	EG	Annotated	Mild	
CCOc1ccc(C(=O)c2c(SC)cc3n2CC[C@@H]3C(=O)O)cc1	ZINC000028224620	EG	Annotated	Anodyne	
CCOc1ccc(C(=O)c2c(SC)cc3n2CC[C@H]3C(=O)O)cc1	ZINC000028224624	EG	Annotated	Anodyne	
CC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(Cl)cccc1Cl	ZINC000028225459	EG	Annotated	Anodyne	
CCOc1ccc(C(=O)c2c(SC)cc(CC(=O)O)n2C)cc1	ZINC000028225608	EG	Annotated	Anodyne	
CSc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(C2CC2)cc1	ZINC000028225611	EG	Annotated	Anodyne	
Cc1cc(Cl)cc(Cl)c1C/N=c1\c(O)c(O)\c1=N/C(C)(C)C	ZINC000028225639	EG	Annotated	Anodyne	
CCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2	ZINC000028228593	EG	Annotated	Anodyne	
Clc1cccc(Br)c1N(CC1CC1)C1=NCCN1	ZINC000028228642	EG	Annotated	Anodyne	
CCOc1ccc2nc([S@@](=O)Cc3cc(C)ccc3N)[nH]c2c1	ZINC000028228971	EG	Annotated	Anodyne	
CCOc1ccc2nc([S@](=O)Cc3cc(C)ccc3N)[nH]c2c1	ZINC000028228975	EG	Annotated	Anodyne	
CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1c(Cl)cccc1Cl	ZINC000028229543	EG	Annotated	Anodyne	
CSc1nc2nc(C(=O)c3ccccc3)cn2c2c1CSCC2	ZINC000028229580	EG	Annotated	Anodyne	
N=C(N)N(CC1CC1)c1c(Br)cccc1Br	ZINC000028229613	EG	Annotated	Anodyne	
N#Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cc[nH]c23)cc1	ZINC000028231591	EG	Annotated	Mild	
Nc1nc2ccnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2n1	ZINC000028240322	EG	Annotated	Anodyne	
CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21	ZINC000028242637	EG	Annotated	Anodyne	
CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCC3)[nH]2)c1	ZINC000028242750	EG	Annotated	Anodyne	
CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21	ZINC000028245003	EG	Annotated	Anodyne	
CCOc1ccccc1[C@H](c1cc(C)ns1)N1CCN(C)CC1	ZINC000028250299	EG	Annotated	Anodyne	
CCOc1ccccc1[C@@H](c1cc(C)ns1)N1CCN(C)CC1	ZINC000028250306	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NN(C)C(=O)C2	ZINC000028256243	EG	Annotated	Anodyne	
COc1ccccc1[C@@H](CNCC(C)(C)S)NCC(C)(C)S	ZINC000028261026	EG	Annotated	Mild	
COc1ccccc1[C@H](CNCC(C)(C)S)NCC(C)(C)S	ZINC000028261032	EG	Annotated	Mild	
COC(=O)CSCCCCCCOC1=C(C)C(=O)S[C@@H]1C	ZINC000028334400	EG	Annotated	Mild	
COC(=O)CSCCCCCCOC1=C(C)C(=O)S[C@H]1C	ZINC000028334407	EG	Annotated	Mild	
O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1ccccc1F	ZINC000028353046	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(-c2nc3c(O)ncnc3nc2-c2ccccc2)cc1	ZINC000028355997	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(-c2nc3ncnc(O)c3nc2-c2ccccc2)cc1	ZINC000028356596	EG	Annotated	Bother	
Cc1cccc(S(=O)(=O)NC2[C@H]3CC[C@@H]2Cc2ccccc2C3)c1	ZINC000028358970	EG	Annotated	Anodyne	
O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1cccs1	ZINC000028358983	EG	Annotated	Anodyne	
COc1cccc(CNC[C@@H](C)Oc2cccc3ccc(N)nc23)c1	ZINC000028360021	EG	Annotated	Anodyne	
COc1cccc(CNC[C@H](C)Oc2cccc3ccc(N)nc23)c1	ZINC000028360026	EG	Annotated	Anodyne	
O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12	ZINC000028361955	EG	Annotated	Bother	
O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12	ZINC000028361962	EG	Annotated	Bother	
Cc1cc(C)c(C(=O)c2nc(C)nc(N3CCOCC3)c2C)c(C)c1	ZINC000028365252	EG	Annotated	Anodyne	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@@H](C)C#N)c1	ZINC000028365952	EG	Annotated	Mild	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc([C@H](C)C#N)c1	ZINC000028365958	EG	Annotated	Mild	
CC(=O)Nc1ccc(-c2nn(C)/c(=N/C3CCCCC3)s2)cc1	ZINC000028372909	EG	Annotated	Anodyne	
Cc1ncccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028373300	EG	Annotated	Anodyne	
N#Cc1cc2cccnc2nc1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000028377340	EG	Annotated	Mild	
Cc1cc(C)nc(/N=C(\N)NCC(c2ccccc2)c2ccccc2)n1	ZINC000028379109	EG	Annotated	Mild	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)N=C2S)cc1	ZINC000028382291	EG	Annotated	Anodyne	
CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2c(F)cccc21	ZINC000028383120	EG	Annotated	Anodyne	
N#Cc1cccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1	ZINC000028383844	EG	Annotated	Mild	
CN(Cc1ccccc1)c1ccc(-c2cnc(N)nc2)cc1[N+](=O)[O-]	ZINC000028384861	EG	Annotated	Bother	
CN(C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccc(F)cc21	ZINC000028385532	EG	Annotated	Anodyne	
Cc1cccnc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028385543	EG	Annotated	Anodyne	
CC1=NN(C)[C@@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12	ZINC000028385572	EG	Annotated	Mild	
CC1=NN(C)[C@@H]2[C@@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12	ZINC000028385577	EG	Annotated	Mild	
Nc1ccc2cccc(OCCCNc3ccc4c(c3)OCO4)c2n1	ZINC000028387090	EG	Annotated	Anodyne	
C=C[C@@H]1OC(c2ccc(Br)cc2)=N[C@H]1SC(C)=O	ZINC000028387126	EG	Annotated	Mild	
CCn1c(Cc2cccc(F)c2)cc(=O)c2c(O)cc(OC)cc21	ZINC000028392019	EG	Annotated	Anodyne	
O=S(=O)(/N=C(\O)c1ccc(O)cc1Cl)c1ccc(Cl)cc1	ZINC000028393464	EG	Annotated	Mild	
Cc1cncc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)c1	ZINC000028393715	EG	Annotated	Anodyne	
Cc1ccc(-c2cc(F)cc(-n3nnc(-c4ccccn4)n3)c2)cn1	ZINC000028394130	EG	Annotated	Anodyne	
N#Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028394812	EG	Annotated	Mild	
Cc1ccncc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028395684	EG	Annotated	Anodyne	
Oc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028396062	EG	Annotated	Anodyne	
COc1cc(N(C)C)ccc1CN(C)CCc1ccc([N+](=O)[O-])cc1	ZINC000028396454	EG	Annotated	Clean	
O=Cc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028396657	EG	Annotated	Anodyne	
Cc1cnccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028397387	EG	Annotated	Anodyne	
CN(c1cccnc1)c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028397523	EG	Annotated	Anodyne	
O=C(CN1C(=O)CS[C@@H]1c1ccccc1)Nc1cc(F)cc(F)c1	ZINC000028397939	EG	Annotated	Anodyne	
O=C(CN1C(=O)CS[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1	ZINC000028397944	EG	Annotated	Anodyne	
Nc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028455232	EG	Annotated	Anodyne	
Fc1cc(Nc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028456010	EG	Annotated	Anodyne	
O=Cc1ccccc1-c1cc(F)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000028456673	EG	Annotated	Anodyne	
Nc1cc(Cl)ccc1/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	ZINC000028457763	EG	Annotated	Mild	
Nc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	ZINC000028459637	EG	Annotated	Mild	
COn1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O	ZINC000028459908	EG	Annotated	Clean	
CCO[C@@H](Cc1scnc1C(=O)Nc1nccs1)C(C)C	ZINC000028462466	EG	Annotated	Anodyne	
CCO[C@H](Cc1scnc1C(=O)Nc1nccs1)C(C)C	ZINC000028462470	EG	Annotated	Anodyne	
CO[C@H](Cc1scnc1C(=O)Nc1nccs1)CC(C)C	ZINC000028462475	EG	Annotated	Anodyne	
CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)CC(C)C	ZINC000028462479	EG	Annotated	Anodyne	
COc1cccc(-c2noc(-c3[nH]c4ccccc4c3CCN)n2)c1	ZINC000028465241	EG	Annotated	Anodyne	
CCc1c(C(=O)OC)cn([C@@H](C)c2ccccc2)c1CC(=O)OC	ZINC000028465847	EG	Annotated	Anodyne	
CC1=C(CCCCCC(=O)NCCC#N)C(=O)c2ccccc2C1=O	ZINC000028468301	EG	Annotated	Mild	
O=C(O)c1c(F)c(F)c(N(CCCl)CCCl)c(F)c1F	ZINC000028472716	EG	Annotated	Reactive	
O=C(O)CCCN1C(=O)c2ccccc2[C@@H]2C(=O)c3ccccc3[C@@H]21	ZINC000028472820	EG	Annotated	Anodyne	
O=C(O)CCCN1C(=O)c2ccccc2[C@@H]2C(=O)c3ccccc3[C@H]21	ZINC000028472824	EG	Annotated	Anodyne	
O=C(O)CCCN1C(=O)c2ccccc2[C@H]2C(=O)c3ccccc3[C@@H]21	ZINC000028472828	EG	Annotated	Anodyne	
O=C(O)CCCN1C(=O)c2ccccc2[C@H]2C(=O)c3ccccc3[C@H]21	ZINC000028472832	EG	Annotated	Anodyne	
COC(=O)Cc1c(C(C)C)c(C(=O)OC)cn1Cc1ccccc1	ZINC000028474297	EG	Annotated	Anodyne	
COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(F)cc1)C2=O	ZINC000028477145	EG	Annotated	Mild	
C=C1CO[C@H]2c3c(cc(O)c4c(=O)c5cccc(OC)c5oc34)O[C@@H]12	ZINC000028477406	EG	Annotated	Mild	
COC(=O)c1cc2c(s1)C(=O)C(Cl)=C(Nc1ccccc1)C2=O	ZINC000028520444	EG	Annotated	Mild	
COC(=O)c1cc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O	ZINC000028520468	EG	Annotated	Mild	
O=C1C(Nc2ccc(F)cc2)=C(Cl)C(=O)c2sc(CO)cc21	ZINC000028520486	EG	Annotated	Mild	
Cc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1	ZINC000028520596	EG	Annotated	Mild	
COc1ccc(NC2=C(Cl)C(=O)c3sc(CO)cc3C2=O)cc1	ZINC000028522318	EG	Annotated	Mild	
CC(=O)NCn1cc(-c2ccc(-c3ccc(F)cc3)cc2)c(=O)o1	ZINC000028523071	EG	Annotated	Anodyne	
N#Cc1cccc(-c2nc(Nc3ccccn3)sc2-n2cncn2)c1	ZINC000028523114	EG	Annotated	Mild	
CC(=O)NCn1cc(-c2ccc(-c3cc(C)cs3)cc2)c(=O)o1	ZINC000028523282	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1cc(C2=CCCNC2)c2ccccc21	ZINC000028523596	EG	Annotated	Anodyne	
N#Cc1cccc(-c2nc(Nc3cccnc3)sc2-n2cncn2)c1	ZINC000028524152	EG	Annotated	Mild	
CC(=O)NCn1cc(-c2ccc(-c3ccc(F)cc3F)cc2)c(=O)o1	ZINC000028524199	EG	Annotated	Anodyne	
CC(=O)Oc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1	ZINC000028524499	EG	Annotated	Anodyne	
O=S(=O)(c1cccs1)n1cc([C@@H]2CCCNC2)c2ccccc21	ZINC000028524771	EG	Annotated	Anodyne	
O=S(=O)(c1cccs1)n1cc([C@H]2CCCNC2)c2ccccc21	ZINC000028524772	EG	Annotated	Anodyne	
N=c1sc2c(n1CC(=O)c1ccc(N3CCCC3)cc1)CCCC2	ZINC000028526059	EG	Annotated	Anodyne	
CCCCCOc1ncccc1[C@@H](O)CC#CCCCC(=O)OC	ZINC000028526496	EG	Annotated	Mild	
CCCCCOc1ncccc1[C@H](O)CC#CCCCC(=O)OC	ZINC000028526497	EG	Annotated	Mild	
CCN(CC)C[C@H](c1ccccc1C(F)(F)F)N1CCN(C)CC1	ZINC000028526829	EG	Annotated	Anodyne	
CCN(CC)C[C@@H](c1ccccc1C(F)(F)F)N1CCN(C)CC1	ZINC000028526831	EG	Annotated	Anodyne	
CSC(=N)NC(=O)c1ccccc1NCC(=O)c1ccc(C)cc1	ZINC000028527745	EG	Annotated	Anodyne	
C=C(Br)C(=O)Nc1ccc2sc(C(=O)O)cc2c1	ZINC000028530543	EG	Annotated	Anodyne	
CCCC[C@@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O	ZINC000028530604	EG	Annotated	Anodyne	
CCCC[C@H]1Sc2ccc([C@@H](O)Cn3ccnc3)cc2N(C)C1=O	ZINC000028530606	EG	Annotated	Anodyne	
CCCC[C@@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O	ZINC000028530608	EG	Annotated	Anodyne	
CCCC[C@H]1Sc2ccc([C@H](O)Cn3ccnc3)cc2N(C)C1=O	ZINC000028530609	EG	Annotated	Anodyne	
C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](c1ccoc1)OC2=O	ZINC000028536332	EG	Annotated	Anodyne	
C[C@@H]1C(=O)[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(C=COC1)O2	ZINC000028536926	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)=CC(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000028539347	EG	Annotated	Anodyne	 
CC(C)=CC(=O)O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000028539351	EG	Annotated	Anodyne	 
COc1c2ccoc2nc2c(OC)c(OC/C=C(/C)CO)ccc12	ZINC000028539617	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C=C[C@@H](O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1	ZINC000028567828	EG	Annotated	Anodyne	
COc1cc(OC)cc(-c2cc3cc(OC)cc(OC)c3oc2=O)c1	ZINC000028567885	EG	Annotated	Anodyne	
COCn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccccc2)cc1=O	ZINC000028568819	EG	Annotated	Mild	
CC(=O)Nc1ccc2c(c1)C(=O)c1cc(CC(=O)O)ccc1SC2	ZINC000028569004	EG	Annotated	Anodyne	
COc1cc(Br)c(-n2nnc3ccccc32)cc1OC	ZINC000028569614	EG	Annotated	Anodyne	
CCCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1	ZINC000028569880	EG	Annotated	Bother	
CCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1	ZINC000028570053	EG	Annotated	Bother	
Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CC(F)F)CC2	ZINC000028570087	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CC(F)F)CC2	ZINC000028570088	EG	Annotated	Anodyne	
O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCc1ccccc1	ZINC000028570131	EG	Annotated	Anodyne	
O=C1C2CCN(CC2)C12COC(c1ccc(Cl)c(Cl)c1)OC2	ZINC000028570667	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])s2)s1	ZINC000028570735	EG	Annotated	Bother	
CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])s2)s1	ZINC000028570736	EG	Annotated	Bother	
CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4cccnc4)c3)cnc2n1	ZINC000028570945	EG	Annotated	Anodyne	
CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1	ZINC000028570946	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CC1CC1)CC2	ZINC000028571064	EG	Annotated	Anodyne	
Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CC1CC1)CC2	ZINC000028571065	EG	Annotated	Anodyne	
Cn1cc(/C=C2\C(=O)NN=C2c2nccs2)c2cc(Cl)ccc21	ZINC000028572238	EG	Annotated	Clean	
CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc(C#N)cc2)OC1=O	ZINC000028572335	EG	Annotated	Mild	
N#Cc1ccccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2o1	ZINC000028572620	EG	Annotated	Mild	
CCN(CC)CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N	ZINC000028604435	EG	Annotated	Mild	
COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(O)cc3)[C@H]1CC2	ZINC000028635282	EG	Annotated	Anodyne	
CC1=CC[C@@]23CC[C@@H]([C@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@@]3(O)CC1	ZINC000028636514	EG	Annotated	Anodyne	
COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C=O)cc1	ZINC000028636551	EG	Annotated	Anodyne	
CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@@](C)(O)Cc2cc(co2)CC1	ZINC000028638866	EG	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c3scnc3c2)cc1	ZINC000028639320	EG	Annotated	Bother	
O=C1O[C@@H](O)C(c2ccc(-c3ccccc3)cc2)=C1Br	ZINC000028639647	EG	Annotated	Anodyne	
O=C1O[C@H](O)C(c2ccc(-c3ccccc3)cc2)=C1Br	ZINC000028639650	EG	Annotated	Anodyne	
O=S(=O)(/C=C/c1ccccc1)CS(=O)(=O)/C=C/c1ccccc1	ZINC000028640207	EG	Annotated	Anodyne	
O=C1O[C@@H](O)C(c2ccc(Oc3ccccc3)cc2)=C1Br	ZINC000028640248	EG	Annotated	Anodyne	
O=C1O[C@H](O)C(c2ccc(Oc3ccccc3)cc2)=C1Br	ZINC000028640251	EG	Annotated	Anodyne	
COc1cc(OC)c2c(c1)C(=O)c1nccc3cc4c(c-2c13)OCO4	ZINC000028640565	EG	Annotated	Anodyne	
O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cccs1	ZINC000028640716	EG	Annotated	Reactive	
COc1c(OC)c(OC)c2c3c(cc4c(O)cccc42)NC(=O)c13	ZINC000028640798	EG	Annotated	Bother	
N=C(N)c1cccc(-c2cc(-c3ccc(C(=N)N)cc3Cl)no2)c1	ZINC000028642778	EG	Annotated	Anodyne	
Cc1ccccc1-c1ncnc2c1[nH]c(=O)n2-c1ccc(F)cc1F	ZINC000028642828	EG	Annotated	Anodyne	
O=c1[nH]c2c(-c3ccccc3F)ncnc2n1-c1c(F)cccc1F	ZINC000028642915	EG	Annotated	Anodyne	
N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3Cl)on2)c1	ZINC000028643546	EG	Annotated	Anodyne	
N=C(N)c1cccc(-c2cc(-c3cccc(C(=N)N)c3Cl)no2)c1	ZINC000028644199	EG	Annotated	Anodyne	
N=C(N)c1ccc(-c2cc(-c3cccc(C(=N)N)c3Cl)no2)cc1	ZINC000028644644	EG	Annotated	Anodyne	
N=C(N)c1ccc(-c2cc(-c3ccc(C(=N)N)cc3Cl)no2)cc1	ZINC000028644654	EG	Annotated	Anodyne	
CNc1ccc(/C=C/c2cnc(OCCO)c(Br)c2)cc1	ZINC000028644787	EG	Annotated	Anodyne	
O/C(=N\CCc1ccccc1)c1nc(-c2cccs2)nc(O)c1O	ZINC000028644913	EG	Annotated	Mild	
N=C(N)c1ccc(-c2cc(-c3cccc(C(=N)N)c3Cl)on2)cc1	ZINC000028644931	EG	Annotated	Anodyne	
N#Cc1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1	ZINC000028645187	EG	Annotated	Mild	
Cc1nc(N2C(=O)CS[C@@H]2c2c(F)cccc2F)nc(C)c1C	ZINC000028647389	EG	Annotated	Anodyne	
Cc1nc(N2C(=O)CS[C@H]2c2c(F)cccc2F)nc(C)c1C	ZINC000028647392	EG	Annotated	Anodyne	
CNc1cccc(CCOc2ccc([C@@H]3C[C@@H]3CC(=O)O)cc2)n1	ZINC000028648115	EG	Annotated	Anodyne	
CNc1cccc(CCOc2ccc([C@H]3C[C@@H]3CC(=O)O)cc2)n1	ZINC000028648117	EG	Annotated	Anodyne	
CNc1cccc(CCOc2ccc([C@@H]3C[C@H]3CC(=O)O)cc2)n1	ZINC000028648120	EG	Annotated	Anodyne	
CNc1cccc(CCOc2ccc([C@H]3C[C@H]3CC(=O)O)cc2)n1	ZINC000028648123	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000028648780	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)N1CC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(O)C1=O	ZINC000028649634	EG	Annotated	Mild	
CCCCCNc1nc(SC)nc(CCO)c1Br	ZINC000028653480	EG	Annotated	Anodyne	
COc1nc(C[C@@](C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1	ZINC000028655563	EG	Annotated	Anodyne	
COc1nc(C[C@](C)(O)C(F)(F)F)c(-c2ccccc2)c(OC)n1	ZINC000028655566	EG	Annotated	Anodyne	
N#Cc1c(N2CCN(c3ccccc3)CC2)cc(-c2ccco2)oc1=O	ZINC000028703361	EG	Annotated	Mild	
Cc1c(O)c(CCC(C)C)c2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000028704296	EG	Annotated	Clean	
Brc1cc(-c2nccc3nc[nH]c23)[nH]c1Br	ZINC000028705367	EG	Annotated	Anodyne	
COC(=O)c1cc(Nc2snc(O)c2C#N)cc(C(F)(F)F)c1	ZINC000028707447	EG	Annotated	Mild	
N#Cc1c(O)nsc1Nc1cc(C(=O)O)cc(C(F)(F)F)c1	ZINC000028707468	EG	Annotated	Mild	
CCCCS(=O)(=O)c1cccc(Nc2snc(O)c2C#N)c1	ZINC000028707472	EG	Annotated	Mild	
Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1	ZINC000028711132	EG	Annotated	Anodyne	
COc1cc(-c2nnc(-c3ccc(O)cc3O)s2)cc(OC)c1O	ZINC000028712181	EG	Annotated	Anodyne	
COc1cccc(COc2nnc(-c3ccc(O)cc3O)s2)c1	ZINC000028712198	EG	Annotated	Anodyne	
CC1=C(/C=C/c2cc(N3CCOCC3)nc(N)n2)C(C)(C)CCC1	ZINC000028712597	EG	Annotated	Anodyne	
Fc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(F)cc4)n23)cc1	ZINC000028712776	EG	Annotated	Anodyne	
COc1ccc(Cl)c(-c2nnc3n2N[C@H](c2ccc[nH]2)S3)c1	ZINC000028712921	EG	Annotated	Anodyne	
COc1ccc(Cl)c(-c2nnc3n2N[C@@H](c2ccc[nH]2)S3)c1	ZINC000028712922	EG	Annotated	Anodyne	
COc1ccc(Cl)c(-c2nnc3n2N[C@H](c2cccn2C)S3)c1	ZINC000028712927	EG	Annotated	Anodyne	
COc1ccc(Cl)c(-c2nnc3n2N[C@@H](c2cccn2C)S3)c1	ZINC000028712928	EG	Annotated	Anodyne	
CCN(CC)CCN1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2	ZINC000028713222	EG	Annotated	Anodyne	
CCN(CC)CCN1C(=O)CS[C@H]1C12CC3CC(CC(C3)C1)C2	ZINC000028713223	EG	Annotated	Anodyne	
CC1=CC=C[C@]2(C)CN(C)N(C(=S)N(C)c3ccccc3)N=C12	ZINC000028713507	EG	Annotated	Anodyne	
CC1=CC=C[C@@]2(C)CN(C)N(C(=S)N(C)c3ccccc3)N=C12	ZINC000028713508	EG	Annotated	Anodyne	
N#C/C(=N\Nc1nc2ccccc2[nH]1)C(=O)c1c[nH]c2ccccc12	ZINC000028714032	EG	Annotated	Mild	
COc1ccc(N2C[C@@H](COc3ccc(Cl)cc3)OCC2=O)cc1	ZINC000028714045	EG	Annotated	Anodyne	
COc1ccc(N2C[C@H](COc3ccc(Cl)cc3)OCC2=O)cc1	ZINC000028714046	EG	Annotated	Anodyne	
CCOC(=O)c1c(C)cc2cnn(-c3ccc(F)cc3)c(=O)c2c1C	ZINC000028755767	EG	Annotated	Anodyne	
CCOC(=O)c1c(C)cc2cnn(-c3ccccc3F)c(=O)c2c1C	ZINC000028757433	EG	Annotated	Anodyne	
CCOC(=O)c1c(C)cc2cnn(-c3ccccc3C)c(=O)c2c1C	ZINC000028757446	EG	Annotated	Anodyne	
CCN(CC)C(=O)N[C@@H]1C[C@@H]2c3cccc4c3C(=CC4)C[C@H]2N(C)C1	ZINC000028762181	EG	Annotated	Anodyne	
Fc1ccc(CN2CCc3ccccc3[C@@H]2Cn2cncn2)c(F)c1	ZINC000028762690	EG	Annotated	Anodyne	
Fc1ccc(CN2CCc3ccccc3[C@H]2Cn2cncn2)c(F)c1	ZINC000028762691	EG	Annotated	Anodyne	
CC(C)COc1ccccc1/C(=C\CN1CCOCC1)n1ccnc1	ZINC000028764784	EG	Annotated	Anodyne	
CC(C)COc1ccccc1/C(=C/CN1CCOCC1)n1ccnc1	ZINC000028764785	EG	Annotated	Anodyne	
CC(C)COc1ccc(Cl)cc1/C(=C\CN(C)C)n1cncn1	ZINC000028765054	EG	Annotated	Anodyne	
CC(C)COc1ccc(Cl)cc1/C(=C/CN(C)C)n1cncn1	ZINC000028765055	EG	Annotated	Anodyne	
COc1ccc([C@H]2Nc3cc(OC)c(OC)cc3C(C)=[N+]2[O-])cc1	ZINC000028765831	EG	Annotated	Anodyne	
CC[C@@H]1C(=O)N(CC2CC2)[C@@H]2SC=C(c3ccccc3)N2C1=O	ZINC000028768028	EG	Annotated	Anodyne	
CC[C@H]1C(=O)N(CC2CC2)[C@@H]2SC=C(c3ccccc3)N2C1=O	ZINC000028768030	EG	Annotated	Anodyne	
CC[C@@H]1C(=O)N(CC2CC2)[C@H]2SC=C(c3ccccc3)N2C1=O	ZINC000028768032	EG	Annotated	Anodyne	
CC[C@H]1C(=O)N(CC2CC2)[C@H]2SC=C(c3ccccc3)N2C1=O	ZINC000028768033	EG	Annotated	Anodyne	
CCOc1ccc2c(c1)S[C@H]1N(CC3CC3)C(=O)[C@@H](CC)C(=O)N21	ZINC000028768086	EG	Annotated	Anodyne	
CCOc1ccc2c(c1)S[C@@H]1N(CC3CC3)C(=O)[C@@H](CC)C(=O)N21	ZINC000028768088	EG	Annotated	Anodyne	
CCOc1ccc2c(c1)S[C@H]1N(CC3CC3)C(=O)[C@H](CC)C(=O)N21	ZINC000028768089	EG	Annotated	Anodyne	
CCOc1ccc2c(c1)S[C@@H]1N(CC3CC3)C(=O)[C@H](CC)C(=O)N21	ZINC000028768091	EG	Annotated	Anodyne	
COc1cc2c(C)nc(OC(C)=O)c(Br)c2cc1OC	ZINC000028768683	EG	Annotated	Anodyne	
O=C(O)Cc1cccc2c(=O)c3cccc(Br)c3oc12	ZINC000028769128	EG	Annotated	Bother	
COC(=O)c1cn(-c2ccc(F)cc2)c2c1C(=O)C(C)=C(C)C2=O	ZINC000028817957	EG	Annotated	Mild	
CCc1c(C)[nH]c(=O)c(C(=O)N(C)C)c1Oc1cc(C)cc(C)c1	ZINC000028818719	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2cc([C@]3(O)CCSC3)[nH]c2cc1C(F)(F)F	ZINC000028820585	EG	Annotated	Bother	
O=[N+]([O-])c1cc2cc([C@@]3(O)CCSC3)[nH]c2cc1C(F)(F)F	ZINC000028820587	EG	Annotated	Bother	
CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1	ZINC000028821271	EG	Annotated	Anodyne	
Cc1cccc(CNc2nc(C)c([N+](=O)[O-])c(-n3ccnc3C)n2)c1	ZINC000028821408	EG	Annotated	Bother	
Cc1ccc(CNc2nc(C)c([N+](=O)[O-])c(-n3ccnc3C)n2)cc1	ZINC000028821409	EG	Annotated	Bother	
Cc1nc(N[C@H](C)CCC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821433	EG	Annotated	Bother	
Cc1nc(N[C@@H](C)CCC(C)C)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821434	EG	Annotated	Bother	
Cc1nc(NCC2CCCCC2)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821442	EG	Annotated	Bother	
Cc1nc(NC2CCC(C)CC2)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821443	EG	Annotated	Bother	
Cc1nc(N[C@@H]2CCC[C@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821444	EG	Annotated	Bother	
Cc1nc(N[C@H]2CCC[C@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821445	EG	Annotated	Bother	
Cc1nc(N[C@@H]2CCC[C@@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821446	EG	Annotated	Bother	
Cc1nc(N[C@H]2CCC[C@@H](C)C2)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821447	EG	Annotated	Bother	
Cc1nc(N[C@H]2CCCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821448	EG	Annotated	Bother	
Cc1nc(N[C@H]2CCCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821449	EG	Annotated	Bother	
Cc1nc(N[C@@H]2CCCC[C@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821450	EG	Annotated	Bother	
Cc1nc(N[C@@H]2CCCC[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-]	ZINC000028821451	EG	Annotated	Bother	
CC[C@@H]1CC=CC[C@@H]1Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1	ZINC000028821467	EG	Annotated	Bother	
COc1ccc(N2CC[C@@H](N)[C@@H](c3cccc(C)c3)C2)cc1OC	ZINC000028821828	EG	Annotated	Clean	
COc1ccc(N2CC[C@H](N)[C@@H](c3cccc(C)c3)C2)cc1OC	ZINC000028821829	EG	Annotated	Clean	
CC(C)N(C(=O)COc1ccc(N2C=CC(=O)C[C@@H]2C)cc1)C(C)C	ZINC000028822204	EG	Annotated	Mild	
CC(C)N(C(=O)COc1ccc(N2C=CC(=O)C[C@H]2C)cc1)C(C)C	ZINC000028822205	EG	Annotated	Mild	
Cc1ccc2nc(N3C(=O)[C@]4(C)[C@@H]5CC[C@@H](O5)[C@]4(C)C3=O)sc2c1	ZINC000028822567	EG	Annotated	Anodyne	
O=C(NC[C@@H]1CCCO1)c1ccc(/C=C\c2ccc(O)c(O)c2)cc1	ZINC000028823006	EG	Annotated	Clean	
O=C(NC[C@H]1CCCO1)c1ccc(/C=C\c2ccc(O)c(O)c2)cc1	ZINC000028823007	EG	Annotated	Clean	
O=C(NC[C@@H]1CCCO1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1	ZINC000028823008	EG	Annotated	Clean	
O=C(NC[C@H]1CCCO1)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1	ZINC000028823009	EG	Annotated	Clean	
O[C@@H](CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1	ZINC000028823912	EG	Annotated	Anodyne	
O[C@H](CNC12CC3CC(CC(C3)C1)C2)COc1ccc2[nH]ccc2c1	ZINC000028823913	EG	Annotated	Anodyne	
N#CCCCn1c(Cn2c(=O)oc3ccccc32)nc2ccccc21	ZINC000028824372	EG	Annotated	Mild	
CN(C)CCn1c(CN2C(=O)CCc3ccccc32)nc2ccccc21	ZINC000028824457	EG	Annotated	Anodyne	
CCc1ccc2c(c1)[C@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2	ZINC000028824732	EG	Annotated	Clean	
CCc1ccc2c(c1)[C@@]1(NN=C(c3ccc(OC)cc3)S1)C(=O)N2	ZINC000028824733	EG	Annotated	Clean	
COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccc(Cl)cc23)cc1	ZINC000028824735	EG	Annotated	Clean	
COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccc(Cl)cc23)cc1	ZINC000028824736	EG	Annotated	Clean	
COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2cc(Cl)ccc23)cc1	ZINC000028824748	EG	Annotated	Clean	
COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2cc(Cl)ccc23)cc1	ZINC000028824749	EG	Annotated	Clean	
OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1	ZINC000028825004	EG	Annotated	Bother	
COc1ccc2nc(OC(C)C)cc(NC3(CCCN)CC3)c2n1	ZINC000028826054	EG	Annotated	Anodyne	
NC(N)=NC(=O)Cc1c(-c2ccccc2)csc1-c1ccccc1	ZINC000028826078	EG	Annotated	Mild	
NC(=O)c1cccc(Oc2ccc(CCNCc3ccccc3)cc2)n1	ZINC000028826381	EG	Annotated	Anodyne	in-vivo
C[C@@H]1O[C@@H](/C=C/c2ccccc2)OC[C@H]1NC(=O)Cc1ccccc1	ZINC000028826691	EG	Annotated	Anodyne	
C[C@@H]1O[C@H](/C=C/c2ccccc2)OC[C@H]1NC(=O)Cc1ccccc1	ZINC000028826712	EG	Annotated	Anodyne	
C[n+]1c2ccc(F)cc2cc2[nH]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c21	ZINC000028826850	EG	Annotated	Bother	
C#CCn1c(C)c(C(C)(C)C)s/c1=N\S(=O)(=O)c1ccccc1	ZINC000028862042	EG	Annotated	Mild	
COC1=CC(=O)c2c(COc3ccc(F)cc3F)c(C)n(C)c2C1=O	ZINC000028864323	EG	Annotated	Mild	
Cc1cc[n+](CCCCCCCC[n+]2ccc(C)cc2N)c(N)c1	ZINC000028865239	EG	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(N2CCCC[C@H]2C)[nH]c1=O	ZINC000028866325	EG	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(N2CCCC[C@@H]2C)[nH]c1=O	ZINC000028866328	EG	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(N2CCC[C@@H](C)C2)[nH]c1=O	ZINC000028866330	EG	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(N2CCC[C@H](C)C2)[nH]c1=O	ZINC000028866333	EG	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(N2CCC(C)CC2)[nH]c1=O	ZINC000028866339	EG	Annotated	Anodyne	
COc1ccc(C(=O)[C@@H](C)S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000028866342	EG	Annotated	Anodyne	
COc1ccc(C(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2)cc1OC	ZINC000028866345	EG	Annotated	Anodyne	
Cc1c(Cc2c(F)cccc2F)nc(N2CCCCCC2)[nH]c1=O	ZINC000028866363	EG	Annotated	Anodyne	
Cc1c([C@H](C)c2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O	ZINC000028866743	EG	Annotated	Anodyne	
Cc1c([C@@H](C)c2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O	ZINC000028866745	EG	Annotated	Anodyne	
CNC(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)O2	ZINC000028867085	EG	Annotated	Anodyne	
Cc1nc2c3c(c(C(=O)N4CC4)cn2c1C)CC[C@H](c1ccccc1)O3	ZINC000028867120	EG	Annotated	Anodyne	
Cc1nc2c3c(c(C(=O)N4CC4)cn2c1C)CC[C@@H](c1ccccc1)O3	ZINC000028867123	EG	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](C2CCCCC2)N1	ZINC000028867709	EG	Annotated	Anodyne	
COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@@H](C2CCCCC2)N1	ZINC000028867713	EG	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](C2CCCCC2)N1	ZINC000028867716	EG	Annotated	Anodyne	
COC(=O)[C@H]1Cc2c(n(C)c3ncc(C)cc23)[C@H](C2CCCCC2)N1	ZINC000028867720	EG	Annotated	Anodyne	
Nc1ccc(Oc2ccc(-c3cc(N4CCOCC4)[nH]n3)cc2)cc1	ZINC000028869256	EG	Annotated	Clean	
N=C(N)c1cccc2oc(Cc3cc4c(C(=N)N)cccc4o3)cc12	ZINC000028870045	EG	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@@H]1CCOC1=O	ZINC000028873838	EG	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CC[C@H]1CCOC1=O	ZINC000028873843	EG	Annotated	Mild	
O=S(=O)(C[C@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000028875105	EG	Annotated	Anodyne	
O=S(=O)(C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1	ZINC000028875109	EG	Annotated	Anodyne	
COc1ccc2c(c1)NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1	ZINC000028884052	EG	Annotated	Anodyne	
N#Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1	ZINC000028884220	EG	Annotated	Mild	
C#Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1	ZINC000028884231	EG	Annotated	Mild	
COc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1	ZINC000028884251	EG	Annotated	Anodyne	
Cc1ccc(C(=O)NC2=NC(=O)/C(=C/c3cccs3)S2)cc1	ZINC000028888594	EG	Annotated	Clean	
CCS(=O)(=O)Nc1cccc2c1Cc1c-2n[nH]c1-c1ccsc1	ZINC000028896711	EG	Annotated	Anodyne	
COc1ccc2nc(-c3n[nH]cc3/C=C/c3cncc(C#N)c3)[nH]c2c1	ZINC000028896762	EG	Annotated	Mild	
N#Cc1ccc2sc(NC(=O)NCc3nc4ccccc4[nH]3)nc2c1	ZINC000028899690	EG	Annotated	Mild	
O=C(Cc1ccc(F)cc1)Nc1ccc2cc(C(=O)NO)sc2c1	ZINC000028900017	EG	Annotated	Anodyne	
Cc1ccc(-c2ncc(C(=O)NCCO)nc2-c2ccc(C)cc2)cc1	ZINC000028900277	EG	Annotated	Anodyne	
CN(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13	ZINC000028902705	EG	Annotated	Anodyne	
C[N+](C)(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13	ZINC000028902715	EG	Annotated	Mild	
O[C@@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@@H]1c1ccccc1	ZINC000028948562	EG	Annotated	Anodyne	
O[C@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@@H]1c1ccccc1	ZINC000028948564	EG	Annotated	Anodyne	
O[C@@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@H]1c1ccccc1	ZINC000028948566	EG	Annotated	Anodyne	
O[C@H]1CN=C(c2ccc(OC(F)(F)F)cc2)N[C@H]1c1ccccc1	ZINC000028948568	EG	Annotated	Anodyne	
Clc1cccc(CN(C2CCOCC2)[C@H]2CCNC2)c1Cl	ZINC000028948799	EG	Annotated	Anodyne	
COc1ccc(-n2c(SCC#N)nc3sccc3c2=O)cc1	ZINC000028948923	EG	Annotated	Mild	
C#CCSc1nc2sccc2c(=O)n1-c1ccc(OC)cc1	ZINC000028949076	EG	Annotated	Mild	
CCN(CC)c1nc2sc3c(OC)nnnc3c2c2c1CCCC2	ZINC000028949399	EG	Annotated	Anodyne	
COc1nnnc2c1sc1nc(N3CCCC3)c3c(c12)CCCC3	ZINC000028949401	EG	Annotated	Anodyne	
CCCOc1nc2sc3c(OC)nnnc3c2c2c1CCCC2	ZINC000028949417	EG	Annotated	Anodyne	
COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2OC)cc1	ZINC000028950828	EG	Annotated	Clean	
COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2OC)cc1	ZINC000028950830	EG	Annotated	Clean	
COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2CC=O)cc1	ZINC000028950945	EG	Annotated	Mild	
COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2CC=O)cc1	ZINC000028950947	EG	Annotated	Mild	
CS(=O)(=O)c1nc2cc(Cl)c(Cl)cc2nc1C(F)(F)F	ZINC000028950949	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@H]1c3c(O)cc(OC)c(C)c3C(=O)N21	ZINC000028951005	EG	Annotated	Clean	
CC(C)Nc1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O	ZINC000028951009	EG	Annotated	Anodyne	
CC(C)N(C)c1nc2cc(Cl)c(Cl)cc2nc1S(C)(=O)=O	ZINC000028951050	EG	Annotated	Anodyne	
C=CCNC(=O)[C@@H](CCCC)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028952897	EG	Annotated	Mild	
C=CCNC(=O)[C@H](CCCC)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028952899	EG	Annotated	Mild	
C=CCNC(=O)[C@@](C)(C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028953350	EG	Annotated	Mild	
C=CCNC(=O)[C@](C)(C(C)C)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028953352	EG	Annotated	Mild	
C=CCNC(=O)[C@@](C=C)(CC)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028953412	EG	Annotated	Mild	
C=CCNC(=O)[C@](C=C)(CC)N(CC(C)(C)C)C(=O)c1cccnc1	ZINC000028953415	EG	Annotated	Mild	
COC(=O)c1cc2cc[nH]c(=O)c2c2cc(Br)ccc12	ZINC000028955786	EG	Annotated	Bother	
CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2/C1=N\OC	ZINC000028955847	EG	Annotated	Mild	
O=C(NCc1c(F)ccc(F)c1Cl)c1snnc1C1CC1	ZINC000028956860	EG	Annotated	Anodyne	
O=C(NCc1c(F)ccc(Cl)c1F)c1snnc1C1CC1	ZINC000028956865	EG	Annotated	Anodyne	
O=C(NCCc1c(F)cccc1Cl)c1snnc1C1CC1	ZINC000028956874	EG	Annotated	Anodyne	
C#Cc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12	ZINC000028958717	EG	Annotated	Mild	
CCc1cc(NCc2cccnc2)n2ncc(Br)c2n1	ZINC000028958818	EG	Annotated	Anodyne	
Brc1cnn2c(NCc3cccnc3)cc(C3CC3)nc12	ZINC000028958841	EG	Annotated	Anodyne	
O=C1c2c(ccc(O)c2O)CN1Cc1cccc(CBr)c1	ZINC000028967077	EG	Annotated	Reactive	
CCC[C@H]1CC2(C[C@@H](CCC)N1)C(=O)NC(=O)N2c1ccccc1	ZINC000028971246	EG	Annotated	Anodyne	
C/C=C(/CO)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C	ZINC000028973276	EG	Annotated	Anodyne	
COc1cc(OC)c2c(O)c3c(c(OC(C)=O)c2c1)C=C(C)OC3	ZINC000028973859	EG	Annotated	Anodyne	
CC/C(=N\OC)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F	ZINC000028976994	EG	Annotated	Mild	
CCO/N=C(\C)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F	ZINC000028977000	EG	Annotated	Mild	
CN(C)c1cc(Cl)c2c(c1)NC(=O)[C@](C)(c1ccccc1)C2=O	ZINC000028978350	EG	Annotated	Anodyne	
CN(C)c1cc(Cl)c2c(c1)NC(=O)[C@@](C)(c1ccccc1)C2=O	ZINC000028978354	EG	Annotated	Anodyne	
COc1cc(N2C(=O)c3ccc(Cl)cc3C2=O)ccc1N(C)C	ZINC000029038395	EG	Annotated	Anodyne	
CC[C@H](C)Nc1ncc(C(=O)Nc2cc(C(=O)NC)ccc2C)s1	ZINC000029041397	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1[C@@H](Cl)C2=C(COC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12	ZINC000029041967	EG	Annotated	Reactive	
COc1cn2c(c(C(C)C)c1=O)C(=O)c1ccnc(CC(C)C)c1-2	ZINC000029042104	EG	Annotated	Anodyne	
CC1=C2C(=C[C@@H]3[C@]4(CC[C@@H]5C(C)(C)C(=O)CC[C@]53C)O[C@H]24)OC1=O	ZINC000029042389	EG	Annotated	Anodyne	
COc1cc2nc3occc3c(-n3cnc([N+](=O)[O-])c3)c2cc1OC	ZINC000029043724	EG	Annotated	Bother	
Cc1n[nH]c(-c2cc(Cl)ccc2Nc2ncnc3[nH]ccc23)n1	ZINC000029047758	EG	Annotated	Anodyne	
Cc1n[nH]c(-c2ccc(Cl)cc2Nc2ncnc3[nH]ccc23)n1	ZINC000029047761	EG	Annotated	Anodyne	
CCC[C@@H](C)n1cnc2c(SCc3ccccn3)nc(N)nc21	ZINC000029058942	EG	Annotated	Anodyne	
CCC[C@H](C)n1cnc2c(SCc3ccccn3)nc(N)nc21	ZINC000029058947	EG	Annotated	Anodyne	
CCCN1C(=O)O/C(=C2/C(=O)N(c3ccccc3)N=C2C)C=C1C	ZINC000029061000	EG	Annotated	Clean	
CCOC(=O)CCCCc1cccc(NC(=O)NCCCl)c1	ZINC000029063748	EG	Annotated	Reactive	
CC1(C)[C@H]2CC[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)[C@H]21	ZINC000029123076	EG	Annotated	Anodyne	
Nc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)CC2	ZINC000029123313	EG	Annotated	Anodyne	
Nc1ccc2c(c1)CCN(C(=S)NCCc1ccc(Cl)cc1)C2	ZINC000029123346	EG	Annotated	Anodyne	
CN(C)/N=C/c1ccc(C2=C(Cl)C(=O)c3ccccc3C2=O)o1	ZINC000029123422	EG	Annotated	Mild	
Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccsc2)n1	ZINC000029125167	EG	Annotated	Mild	
Cn1cnc(-c2c(-c3ccccc3)c3cc(C#N)ccc3[nH]c2=O)c1	ZINC000029126486	EG	Annotated	Mild	
C[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@H]12	ZINC000029126882	EG	Annotated	Anodyne	
C[C@@]12CC[C@@](C)(O1)[C@@H]1C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12	ZINC000029126883	EG	Annotated	Anodyne	
Cn1c(=N)n(CCc2ccc(Br)cc2)c2ccccc21	ZINC000029127568	EG	Annotated	Anodyne	
Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)C[C@H]3O	ZINC000029127580	EG	Annotated	Anodyne	
Cc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)C[C@@H]3O	ZINC000029127583	EG	Annotated	Anodyne	
Cn1cnnc1Sc1cnc(C(C)(C)C)nc1-c1ccccc1O	ZINC000029128029	EG	Annotated	Anodyne	
CC(C)(C)c1ncc(Sc2ncn[nH]2)c(-c2ccccc2O)n1	ZINC000029128077	EG	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1	ZINC000029128495	EG	Annotated	Anodyne	
O=S(=O)(N[C@H]1[C@@H]2CCCC[C@@]1(CO)CC2)c1ccc(Cl)s1	ZINC000029128496	EG	Annotated	Anodyne	
Oc1ccc2c(c1)CN(C(=S)NCCc1ccc(Cl)cc1)C2	ZINC000029131652	EG	Annotated	Anodyne	
Oc1cccc2c1CN(C(=S)NCCc1ccc(Cl)cc1)C2	ZINC000029131658	EG	Annotated	Clean	
Cc1c(Br)c(=O)oc2c(Br)c(N)ccc12	ZINC000029131682	EG	Annotated	Anodyne	 
Cc1c(Br)c(=O)oc2c(O)c(O)c(Br)cc12	ZINC000029132397	EG	Annotated	Clean	 
CS(=O)(=O)c1ccc(-c2nccc(NCc3cccs3)n2)cc1	ZINC000029132462	EG	Annotated	Anodyne	
CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@]1(C)c1cccnc1	ZINC000029214823	EG	Annotated	Anodyne	
CC1(c2cc(I)c(O)c(CN)c2)CCCC1	ZINC000029220899	EG	Annotated	Clean	
COP(=O)(OC)C(O)(c1ccc(C)cc1)P(=O)(OC)OC	ZINC000029225897	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000029243274	EG	Annotated	Mild	
C[C@H]1CC[C@@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000029243282	EG	Annotated	Mild	
C[C@@H]1CC[C@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000029243289	EG	Annotated	Mild	
C[C@H]1CC[C@H](/C(S)=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000029243295	EG	Annotated	Mild	
O=C(C[C@@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO	ZINC000029248014	EG	Annotated	Bother	
O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO	ZINC000029248019	EG	Annotated	Bother	
Nc1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12	ZINC000029248636	EG	Annotated	Clean	
CCN1C=CC=C2C1=Nc1cc(Cl)c(C)cc1S(=O)(=O)N2C	ZINC000029250616	EG	Annotated	Anodyne	
CCCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000029250827	EG	Annotated	Clean	
CCCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000029250833	EG	Annotated	Clean	
CCCC[C@@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000029307739	EG	Annotated	Clean	
CCCC[C@H](O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000029307745	EG	Annotated	Clean	
O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1CC1Cc2ccccc2C1	ZINC000029308916	EG	Annotated	Anodyne	
Cc1ccc(-c2cc(CC(C)C)cc(C(=O)Nc3nnn[nH]3)n2)cc1	ZINC000029317145	EG	Annotated	Anodyne	
COc1c(OC)c(OC(C)=O)c2c(Cl)cccc2c1OC(C)=O	ZINC000029318824	EG	Annotated	Anodyne	
O=C1Nc2cccc(C(F)(F)F)c2[C@@]1(O)c1cc(Cl)ccc1O	ZINC000029319698	EG	Annotated	Anodyne	
O=C1Nc2cccc(C(F)(F)F)c2[C@]1(O)c1cc(Cl)ccc1O	ZINC000029319702	EG	Annotated	Anodyne	
CC(C)OC(=O)Cc1cccc2cc([C@@H](O)CNC(C)(C)C)oc12	ZINC000029321360	EG	Annotated	Anodyne	
CC(C)OC(=O)Cc1cccc2cc([C@H](O)CNC(C)(C)C)oc12	ZINC000029321364	EG	Annotated	Anodyne	
Cc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)nc1	ZINC000029321707	EG	Annotated	Anodyne	
CCN(CC)CCNC(=O)c1cc(Cl)c(N)c2c(C)c(C)oc12	ZINC000029324057	EG	Annotated	Anodyne	
C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(N)=O)c1	ZINC000029325010	EG	Annotated	Anodyne	
C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C(N)=O)c1	ZINC000029325015	EG	Annotated	Anodyne	
C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1	ZINC000029325020	EG	Annotated	Anodyne	
C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(C(N)=O)c1	ZINC000029325024	EG	Annotated	Anodyne	
CCN(CC)CC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n(C)c1	ZINC000029326614	EG	Annotated	Anodyne	
Nc1ccc(N2CCC(O)CC2)c(C(=O)c2ccc(Cl)cc2)c1	ZINC000029334351	EG	Annotated	Anodyne	
Cc1nc(C)n(-c2cc(C)c3[nH]c(=O)ccc3c2)c1Br	ZINC000029337537	EG	Annotated	Anodyne	
Cn1cc(C(=O)CN2CCCC2)cc1C(=O)c1ccc(Cl)cc1	ZINC000029337843	EG	Annotated	Anodyne	
CCN(CC)CCN1C(=O)c2cc(Cl)c(N)cc2OC(C)=C1C	ZINC000029340728	EG	Annotated	Anodyne	
COc1cc(CBr)cc2c1C(=O)c1c(O)cccc1C2=O	ZINC000029341388	EG	Annotated	Reactive	
Oc1ccc(CCN[C@@H]2CCc3cc(O)c(O)c(Cl)c3C2)cc1	ZINC000029344228	EG	Annotated	Clean	
Oc1ccc(CCN[C@H]2CCc3cc(O)c(O)c(Cl)c3C2)cc1	ZINC000029344232	EG	Annotated	Clean	
Cn1cc(C(=O)CN2CCCC2)cc1C(=O)c1cccc(Cl)c1	ZINC000029346575	EG	Annotated	Anodyne	
CC(/N=C(/Nc1ccccc1)N1CCOCC1)=N\Cc1ccccc1	ZINC000029346749	EG	Annotated	Mild	
CN1CCN(Cc2ccc(Cl)cc2Cl)[C@@H](c2ncc[nH]2)C1	ZINC000029347117	EG	Annotated	Anodyne	
Cc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O	ZINC000029388386	EG	Annotated	Bother	
COc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O	ZINC000029389391	EG	Annotated	Bother	
O=C(OC[C@@H]1c2ccc(Cl)cc2N[C@H]1C(=O)O)c1ccccc1	ZINC000029389735	EG	Annotated	Anodyne	
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](C)O2	ZINC000029392692	EG	Annotated	Anodyne	
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](C)O2	ZINC000029392695	EG	Annotated	Anodyne	
Cc1ccc(O)c(C(=O)NCCCN2CCC[C@@H]3CCCC[C@@H]32)c1	ZINC000029393762	EG	Annotated	Anodyne	
CCNCCCNCCCCCCCNCCCNC[C@@H](C)CC	ZINC000029394136	EG	Annotated	Anodyne	
Cc1ccc(O)c(C(=O)NCCCN2CCC[C@@H]3CCCC[C@H]32)c1	ZINC000029394601	EG	Annotated	Anodyne	
COc1cc2sn(CCCCc3ccccn3)c(=O)c2cc1OC	ZINC000029395770	EG	Annotated	Anodyne	
COc1cc2sn(CCCc3ccccn3)c(=O)c2cc1OC	ZINC000029402210	EG	Annotated	Anodyne	
CN(C)CCCS/C(=N\O)C(=O)c1ccc(Br)cc1	ZINC000029408994	EG	Annotated	Mild	
C=CCNC(=S)Nc1ccc(-c2n[nH]c(=S)n2CC=C)cc1	ZINC000029409900	EG	Annotated	Mild	
CNc1ccc(N(CCBr)CCBr)cc1	ZINC000029412279	EG	Annotated	Reactive	
CCCCCC/N=C(N)/N=C(\N)NCc1ccc(Cl)c(Cl)c1	ZINC000029414745	EG	Annotated	Mild	
C[C@@H](C(=O)OC1CCN(C)CC1)c1ccc(Br)cc1	ZINC000029414921	EG	Annotated	Anodyne	
C[C@H](C(=O)OC1CCN(C)CC1)c1ccc(Br)cc1	ZINC000029414924	EG	Annotated	Anodyne	
COc1cc(-n2cncc2-c2ccc(N)cc2)cc(OC)c1OC	ZINC000029415858	EG	Annotated	Anodyne	
Cc1ccc(C2=C(CC(=O)O)[C@@H](c3cccnc3)NC(S)=N2)cc1	ZINC000029462079	EG	Annotated	Anodyne	
Cc1ccc(C2=C(CC(=O)O)[C@H](c3cccnc3)NC(S)=N2)cc1	ZINC000029462082	EG	Annotated	Anodyne	
CN(C)C#Cc1cc(CO)cc(Br)c1-c1ccc(O)cc1	ZINC000029462426	EG	Annotated	Mild	
COC(=O)c1sccc1-n1nc2c(cnc3ccccc32)c1O	ZINC000029463447	EG	Annotated	Anodyne	
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OCC#CCN(CC)CC	ZINC000029463829	EG	Annotated	Mild	
CC[C@H](Oc1ccc(Cl)cc1)C(=O)OCC#CCN(CC)CC	ZINC000029463831	EG	Annotated	Mild	
CCN1c2ncccc2-c2nccn2-c2ccc(N3CCCC3)nc21	ZINC000029464175	EG	Annotated	Anodyne	
N#CCCN(NC(=O)NC1CCCCC1)c1nc2ccccc2o1	ZINC000029465338	EG	Annotated	Reactive	
Cc1ccc(C2=C(CC(=O)O)[C@@H](c3ccco3)NC(S)=N2)cc1	ZINC000029465367	EG	Annotated	Anodyne	
Cc1ccc(C2=C(CC(=O)O)[C@H](c3ccco3)NC(S)=N2)cc1	ZINC000029465369	EG	Annotated	Anodyne	
Cc1cc(C(=O)O)c(-n2nc3c(cnc4ccccc43)c2O)s1	ZINC000029465724	EG	Annotated	Anodyne	
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F	ZINC000029468363	EG	Annotated	Anodyne	
COc1cccc(OC)c1CN1C[C@@H]2CCCN2c2ncccc21	ZINC000029474076	EG	Annotated	Anodyne	
COc1cccc(OC)c1CN1C[C@H]2CCCN2c2ncccc21	ZINC000029474080	EG	Annotated	Anodyne	
Cc1ccccc1Cn1cnc2c(N(C)C)nc(C(F)(F)F)nc21	ZINC000029474179	EG	Annotated	Anodyne	
Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(C2CCCCC2)ccc1O	ZINC000029478566	EG	Annotated	Bother	
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(C2CCCCC2)ccc1O	ZINC000029478570	EG	Annotated	Bother	
Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cccc(C2CCCCC2)c1O	ZINC000029478931	EG	Annotated	Bother	
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cccc(C2CCCCC2)c1O	ZINC000029478935	EG	Annotated	Bother	
O=C(O)CCCOc1cc2c(cc1Cl)C(=O)N(C1CCCC1)C2	ZINC000029481131	EG	Annotated	Anodyne	
c1ccc2c(c1)C1CC2(CNCCCN2CCOCC2)c2ccccc21	ZINC000029481842	EG	Annotated	Anodyne	
Cn1nc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1	ZINC000029485038	EG	Annotated	Anodyne	
Cc1ncn(CCC(C(N)=O)(c2ccccc2)c2ccccc2)c1C	ZINC000029485132	EG	Annotated	Anodyne	
CN(CCCl)CCNc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000029487035	EG	Annotated	Reactive	
CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccn(C)c32)C1(C)C	ZINC000029487989	EG	Annotated	Anodyne	
CC(C)OC(=O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1	ZINC000029545929	EG	Annotated	Clean	
CC[C@@]12CCN(CC3CC3)[C@@H](C(=O)c3ccc(NC=O)cc31)[C@@H]2C	ZINC000029556297	EG	Annotated	Anodyne	
CSc1ncnc2c1ncn2[C@@H](C)c1cccc(OC(C)=O)c1	ZINC000029557492	EG	Annotated	Anodyne	
CSc1ncnc2c1ncn2[C@H](C)c1cccc(OC(C)=O)c1	ZINC000029557496	EG	Annotated	Anodyne	
Cc1ccc(-c2cc(CN(CC(N)=O)Cc3ccccc3)no2)cc1	ZINC000029564329	EG	Annotated	Anodyne	
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000029566618	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000029566622	EG	Annotated	Mild	
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C	ZINC000029566625	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(Br)cc2)C[C@H]1C	ZINC000029566629	EG	Annotated	Mild	
CC(=O)SCCC(=O)N1Cc2ccccc2[C@@H]1C(=O)OC(C)(C)C	ZINC000029566774	EG	Annotated	Anodyne	
CC(=O)SCCC(=O)N1Cc2ccccc2[C@H]1C(=O)OC(C)(C)C	ZINC000029566776	EG	Annotated	Anodyne	
NC(=O)N(O)[C@@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)C1CC1	ZINC000029566830	EG	Annotated	Mild	
NC(=O)N(O)[C@H](C#Cc1ccc(Oc2ccc(F)cc2)o1)C1CC1	ZINC000029566833	EG	Annotated	Mild	
O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)[n+]([O-])c1	ZINC000029567179	EG	Annotated	Anodyne	
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000029571215	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@@H]1C	ZINC000029571218	EG	Annotated	Mild	
COC(=O)[C@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@H]1C	ZINC000029571221	EG	Annotated	Mild	
COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(C(F)(F)F)cc2)C[C@H]1C	ZINC000029571224	EG	Annotated	Mild	
CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@H]3C[C@H]2C1	ZINC000299804475	EG	Annotated	Mild	
CC(=O)[C@@H]1CC[C@@H]2C(=O)C3=C(O)c4c(O)ccc(O)c4C[C@@H]3C[C@H]2C1	ZINC000299804476	EG	Annotated	Mild	
CC[C@@H](C)NC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000299804567	EG	Annotated	Anodyne	
CC[C@H](C)NC1=N[S@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000299804568	EG	Annotated	Anodyne	
CC[C@@H](C)NC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000299804569	EG	Annotated	Anodyne	
CC[C@H](C)NC1=N[S@@](=O)N=C1Nc1cc(Cl)cc(Cl)c1	ZINC000299804570	EG	Annotated	Anodyne	
CCOC(=O)C(=O)/C=C\C(SCc1ccccc1)=C(\O)OCC	ZINC000299804846	EG	Annotated	Mild	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12	ZINC000299805039	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21	ZINC000299805040	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	ZINC000299805041	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CNC(=O)N2C)cc1O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	ZINC000299805042	EG	Annotated	Anodyne	
O=S(=O)(N[C@@H]1[C@H]2CCCC[C@@]1(CO)CC2)c1ccc(Cl)s1	ZINC000299806124	EG	Annotated	Anodyne	
O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@H]1Br	ZINC000299807094	EG	Annotated	Reactive	
CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@H](c2ccccc2)[C@]13C	ZINC000299807702	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@@H](c2ccccc2)[C@]13C	ZINC000299807705	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@]23O[C@@H]2C[C@H](c2ccccc2)[C@@]13C	ZINC000299807707	EG	Annotated	Anodyne	
CCn1c(O)c(N=NC(=O)CNC(=O)c2ccco2)c2ccccc21	ZINC000299813174	EG	Annotated	Clean	
COC(=O)c1cc(N=Nc2sc(N)nc2C)cc(C(=O)OC)c1	ZINC000299813195	EG	Annotated	Clean	
O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)[C@@H]1COc2ccccc2O1	ZINC000299813222	EG	Annotated	Clean	
O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)[C@H]1COc2ccccc2O1	ZINC000299813223	EG	Annotated	Clean	
Cc1c(N=NC2=C(O)CCCC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000299813346	EG	Annotated	Mild	
CCOC(=O)c1c(C)[nH]c(C(C)=NNC(=O)c2cccs2)c1C	ZINC000299813856	EG	Annotated	Reactive	
CCCCS(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2	ZINC000299814058	EG	Annotated	Mild	
COc1cccc([C@@]23CCC[C@@H](C2)NC[C@H]3Br)c1OC	ZINC000299814240	EG	Annotated	Reactive	
CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O	ZINC000299815987	EG	Annotated	Mild	
COc1ccc2[nH]c(C)cc(=NN=Cc3cccc([N+](=O)[O-])c3)c2c1	ZINC000299817945	EG	Annotated	Mild	
COc1ccc2c(=NN=Cc3cccc([N+](=O)[O-])c3)cc(C)[nH]c2c1	ZINC000299817949	EG	Annotated	Mild	
COc1ccc2[nH]c(C)cc(=NN=Cc3ccccc3[N+](=O)[O-])c2c1	ZINC000299817958	EG	Annotated	Mild	
COc1ccc2c(=NN=Cc3ccccc3[N+](=O)[O-])cc(C)[nH]c2c1	ZINC000299817981	EG	Annotated	Mild	
CC[N+](C)(CC)CCOCC(O)(c1ccccc1)c1ccccc1	ZINC000299818131	EG	Annotated	Bother	
CCOCCc1cnc(NC(=O)NC)c(Oc2cccnc2CC)c1	ZINC000299818736	EG	Annotated	Anodyne	
CCOc1ccc(Cc2nn3c(-c4cccnc4)nnc3s2)cc1	ZINC000299819216	EG	Annotated	Anodyne	
Cc1ccc(-c2cn(CCCN3C(=O)COc4ccccc43)nn2)cc1	ZINC000299819282	EG	Annotated	Anodyne	
N#Cc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)OC2=O)cc1	ZINC000299819304	EG	Annotated	Mild	
O=C1C=CC2(C=C1)OC(=O)C(c1ccc(CO)cc1)=C2c1ccccc1	ZINC000299819335	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC(=O)[C@]13C[C@@H](CO)[C@H](CC[C@@H]21)C3	ZINC000299819589	EG	Annotated	Anodyne	
O=C1NN=C2C=C(c3ccccc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12	ZINC000299819636	EG	Annotated	Bother	
O=C1NN=C2C=C(c3ccccc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12	ZINC000299819637	EG	Annotated	Bother	
O=C1NN=C2C=C(c3ccccc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12	ZINC000299819638	EG	Annotated	Bother	
O=C1NN=C2C=C(c3ccccc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12	ZINC000299819639	EG	Annotated	Bother	
O=C1C=CC2(C=C1)OC(=O)C(c1ccc(O)cc1)=C2c1ccccc1	ZINC000299819900	EG	Annotated	Mild	
COc1ncc(-c2nc3cccnc3n2C2CCCC2)c(OC)n1	ZINC000299820143	EG	Annotated	Anodyne	
CCCCCCc1cn(CCCN2C(=O)COc3ccccc32)nn1	ZINC000299820796	EG	Annotated	Anodyne	
COc1cc(CCCC/C=C/C(=O)N2CCCC2)cc(OC)c1O	ZINC000299821036	EG	Annotated	Anodyne	
C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4ccsc4)C(=O)O[C@@H]3[C@@H]1O2	ZINC000299821992	EG	Annotated	Anodyne	
COc1cc2ccn3c(CC(C)C)nc4c(O)nc(c1OC)c2c43	ZINC000299823051	EG	Annotated	Bother	
CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1ccccc1	ZINC000299823131	EG	Annotated	Anodyne	
CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1ccccc1	ZINC000299823133	EG	Annotated	Anodyne	
O=Cc1ccc(C2=C(c3ccccc3)C3(C=CC(=O)C=C3)OC2=O)s1	ZINC000299823717	EG	Annotated	Mild	
Nc1nc(CCCc2ccccc2O)nc2cn(-c3ccccc3)nc12	ZINC000299823851	EG	Annotated	Anodyne	
Cc1cc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)cs1	ZINC000299824163	EG	Annotated	Anodyne	
C[C@@]12CC/C=C(/CO)CC[C@@H]3/C(=C\c4cccs4)C(=O)O[C@@H]3[C@@H]1O2	ZINC000299824565	EG	Annotated	Anodyne	
CCNc1nnc(Cc2nc(O)c3c4c(sc3n2)CCCC4)s1	ZINC000299824751	EG	Annotated	Anodyne	
O=C(NCc1ccco1)c1ccc(CN2Cc3ccccc3C2=O)cc1	ZINC000299825643	EG	Annotated	Anodyne	
O=C(NCc1ccco1)c1ccc(Cn2oc3ccccc3c2=O)cc1	ZINC000299826739	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2c(O)cc3c(c2O)CCC(C)(C)O3)cc1	ZINC000299827563	EG	Annotated	Anodyne	
N#Cc1ccc(/N=C2\c3ccccc3CN2c2ccc(C#N)nc2)cn1	ZINC000299827849	EG	Annotated	Mild	
COc1cc(CC/C=C/C=C/C(=O)N2CCCC2)cc(OC)c1OC	ZINC000299827873	EG	Annotated	Anodyne	
N#Cc1ccc(/N=C2\c3ccccc3CN2c2ccc(C#N)cn2)nc1	ZINC000299827900	EG	Annotated	Mild	
c1cnc2c(c1)nc(-c1ccc(-c3nnn[nH]3)cc1)n2C1CCCC1	ZINC000299827973	EG	Annotated	Anodyne	
C#CCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12	ZINC000299827994	EG	Annotated	Mild	
CC(C)C(=O)NC1=NN(C(=O)C(C)C)[C@](C)(c2ccccc2)S1	ZINC000299828061	EG	Annotated	Anodyne	
CC(C)C(=O)NC1=NN(C(=O)C(C)C)[C@@](C)(c2ccccc2)S1	ZINC000299828062	EG	Annotated	Anodyne	
c1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1	ZINC000299828274	EG	Annotated	Anodyne	
c1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@H]43)nc2c1	ZINC000299828276	EG	Annotated	Anodyne	
c1ccc2[nH]c(CCC[C@@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1	ZINC000299828279	EG	Annotated	Anodyne	
c1ccc2[nH]c(CCC[C@H]3NC[C@H]4C[C@H]3CN3CCCC[C@@H]43)nc2c1	ZINC000299828282	EG	Annotated	Anodyne	
O=C(Cc1ccc(-c2ccccc2)cc1)[C@@H]1Cc2cncn2C(=S)N1	ZINC000299828589	EG	Annotated	Anodyne	
CCCO[P@](=O)(O)OCCSC(=S)N1CCCCC1	ZINC000299828981	EG	Annotated	Anodyne	
COc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(Cl)cc43)c2c1	ZINC000299829783	EG	Annotated	Anodyne	
COc1ccc2[nH]cc([C@@]3(O)C(=O)Nc4ccc(Cl)cc43)c2c1	ZINC000299829785	EG	Annotated	Anodyne	
O=C1Nc2ccc(OC(F)(F)F)cc2[C@]1(O)c1c[nH]c2ccccc12	ZINC000299830561	EG	Annotated	Anodyne	
O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]1(O)c1c[nH]c2ccccc12	ZINC000299830564	EG	Annotated	Anodyne	
COc1cc([C@@H](O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O	ZINC000299831245	EG	Annotated	Mild	
COc1cc([C@H](O)CC=C(C)C)c(OC)c2c1/C(=N/O)C=C/C2=N\O	ZINC000299831248	EG	Annotated	Mild	
CCc1noc(-c2cc3c(s2)C(=O)c2c(OC)cccc2C3=O)n1	ZINC000299831459	EG	Annotated	Clean	
CCCO[P@](=O)(O)OCCSC(=S)N1CCCCCC1	ZINC000299831779	EG	Annotated	Anodyne	
CCOC(=O)c1cc2c(n1CC)C(=O)C(Oc1ccccc1)=CC2=O	ZINC000299832236	EG	Annotated	Mild	
COC(=O)CC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1	ZINC000299832641	EG	Annotated	Anodyne	
COC(=O)CC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1	ZINC000299832643	EG	Annotated	Anodyne	
CNCCNc1c(-c2nc3ccccc3[nH]2)c(O)nc2sccc12	ZINC000299833525	EG	Annotated	Anodyne	
Cc1ccc([C@H](c2ccccc2)c2oc(CO)cc(=O)c2O)s1	ZINC000299834011	EG	Annotated	Anodyne	
Cc1ccc([C@@H](c2ccccc2)c2oc(CO)cc(=O)c2O)s1	ZINC000299834013	EG	Annotated	Anodyne	
Nc1nc(-c2ccc(NC(=O)c3cc(F)c(F)c(F)c3)cc2)c[nH]1	ZINC000299834022	EG	Annotated	Anodyne	
Nc1nc(CCCc2cccc(O)c2)nc2cn(-c3ccccc3)nc12	ZINC000299834321	EG	Annotated	Anodyne	
O=S(=O)(Nc1ccc2cc[nH]c2c1)c1cnc2ccccc2c1O	ZINC000299834322	EG	Annotated	Anodyne	
COc1cccc2c1C(=O)c1sc(C(=O)c3cccnc3)cc1C2=O	ZINC000299834718	EG	Annotated	Clean	
C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@H](CO)C3	ZINC000299834832	EG	Annotated	Anodyne	
O=C1CCN(c2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1	ZINC000299835147	EG	Annotated	Anodyne	
COCCOC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1	ZINC000299836286	EG	Annotated	Anodyne	
COCCOC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1	ZINC000299836287	EG	Annotated	Anodyne	
COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccccc1	ZINC000299837221	EG	Annotated	Anodyne	
Cc1ccc(-c2ccc(COC(=O)N[C@H]3C(=O)O[C@H]3C)cc2)cc1	ZINC000299837692	EG	Annotated	Anodyne	
O=C1NN=C2C=C(c3cccs3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12	ZINC000299837904	EG	Annotated	Bother	
O=C1NN=C2C=C(c3cccs3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12	ZINC000299837905	EG	Annotated	Bother	
O=C1NN=C2C=C(c3cccs3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12	ZINC000299837907	EG	Annotated	Bother	
O=C1NN=C2C=C(c3cccs3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12	ZINC000299837909	EG	Annotated	Bother	
CC(C)(CF)NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21	ZINC000299838601	EG	Annotated	Anodyne	
CCc1ncccc1Oc1cc(CCCOC)cnc1NC(=O)NC	ZINC000299838791	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@H](n1nnc3ccccc31)C1=C(CCCC1=O)O2	ZINC000299838966	EG	Annotated	Mild	
COc1ccc2c(c1)[C@@H](n1nnc3ccccc31)C1=C(CCCC1=O)O2	ZINC000299838968	EG	Annotated	Mild	
c1ccc(OCc2cc3n(n2)CCC[C@@H]3NCc2cccnc2)cc1	ZINC000299839719	EG	Annotated	Anodyne	
c1ccc(OCc2cc3n(n2)CCC[C@H]3NCc2cccnc2)cc1	ZINC000299839720	EG	Annotated	Anodyne	
c1ccc(OCc2cc3n(n2)CCC[C@@H]3NCc2ccncc2)cc1	ZINC000299840670	EG	Annotated	Anodyne	
c1ccc(OCc2cc3n(n2)CCC[C@H]3NCc2ccncc2)cc1	ZINC000299840671	EG	Annotated	Anodyne	
O=C(O)CC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1	ZINC000299840753	EG	Annotated	Anodyne	
O=C(O)CC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1	ZINC000299840754	EG	Annotated	Anodyne	
Fc1ccc(CNc2cc(N3CCCCC3)nc3ccnn23)cc1	ZINC000299841002	EG	Annotated	Anodyne	
Cc1cc(C[C@H]2COC[C@@H]2NCc2ccc(C(F)(F)F)cc2)on1	ZINC000299841689	EG	Annotated	Anodyne	
c1ccc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccsc2)nc1	ZINC000299841911	EG	Annotated	Anodyne	
CC(C)N(C)[C@H]1CCN(Cc2nccs2)[C@@H]1Cc1ccncc1	ZINC000299841917	EG	Annotated	Anodyne	 
CN(Cc1ccco1)[C@H]1CN(Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12	ZINC000299841991	EG	Annotated	Anodyne	
Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)Cc2cccs2)o1	ZINC000299842023	EG	Annotated	Anodyne	 
Cc1nc(COC[C@H]2CC[C@H]3[C@@H](CCN3c3ccccn3)O2)cs1	ZINC000299842085	EG	Annotated	Anodyne	
O=C(NCc1cccs1)[C@H]1CO[C@H]2CCN(C3CCCC3)C[C@@H]2C1	ZINC000299842178	EG	Annotated	Anodyne	
Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3Cc2ccncc2)s1	ZINC000299842235	EG	Annotated	Anodyne	 
c1cncc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccs3)O2)c1	ZINC000299842334	EG	Annotated	Anodyne	
Fc1ccccc1CN1C[C@@H](OCC2CCOCC2)[C@H]2OCCC[C@H]21	ZINC000299842415	EG	Annotated	Anodyne	
Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(C)oc2C)n1	ZINC000299842485	EG	Annotated	Anodyne	 
CC[C@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC	ZINC000299842510	EG	Annotated	Anodyne	 
Fc1ccc(CN2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@H]32)cc1	ZINC000299842531	EG	Annotated	Anodyne	
COc1cc(CN(C)[C@H]2COC[C@@H]2c2ccc(F)cc2)cc(OC)c1	ZINC000299842538	EG	Annotated	Anodyne	
CN(Cc1ccco1)[C@H]1CN(Cc2cccs2)C[C@H]2CCCO[C@@H]12	ZINC000299842617	EG	Annotated	Anodyne	
Cc1noc([C@H]2CCO[C@@H]3CCN(Cc4ccc(C)s4)C[C@@H]23)n1	ZINC000299842728	EG	Annotated	Anodyne	
COc1ccc(CN(C)[C@H]2COC[C@@H]2c2ccc(F)cc2)c(OC)c1	ZINC000299842760	EG	Annotated	Anodyne	
COc1ccc([C@H]2CN(Cc3ccncc3)C[C@@H]2c2cc[nH]n2)cc1	ZINC000299842799	EG	Annotated	Anodyne	
O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@@H]1CCN2CC1CCOCC1	ZINC000299842813	EG	Annotated	Anodyne	 
Cc1cccc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3ccco3)O2)n1	ZINC000299842871	EG	Annotated	Anodyne	
O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3cccc4ncccc34)C[C@H]21	ZINC000299842928	EG	Annotated	Anodyne	
COc1ccc(CN2C[C@H]3CCC[C@@H](CN(C)C4CC4)[C@@H]3C2)cn1	ZINC000299843094	EG	Annotated	Anodyne	
c1ccc(COC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccs3)O2)nc1	ZINC000299843179	EG	Annotated	Anodyne	
CN(Cc1ccco1)[C@H]1CN(Cc2ccsc2)C[C@H]2CCCO[C@@H]12	ZINC000299843205	EG	Annotated	Anodyne	
COCCO[C@H]1CCN(Cc2csc(C)n2)[C@@H]1Cc1ccccc1	ZINC000299843223	EG	Annotated	Anodyne	 
Cc1ccc(CN2C[C@H](N(C)Cc3ccco3)[C@@H]3OCCC[C@@H]3C2)o1	ZINC000299843257	EG	Annotated	Anodyne	
c1cncc(OC[C@H]2CC[C@H]3[C@@H](CCN3Cc3cccs3)O2)c1	ZINC000299843425	EG	Annotated	Anodyne	
Cc1cccc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccsc2)n1	ZINC000299843471	EG	Annotated	Anodyne	
CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3ccsc3)C[C@H]21	ZINC000299843474	EG	Annotated	Anodyne	
Cc1ccc(CN2CCC[C@H]3CN(C(=O)c4ccco4)C[C@H]32)s1	ZINC000299843512	EG	Annotated	Anodyne	 
CN(Cc1ccco1)C[C@H]1OC[C@H]2CCN(Cc3cccs3)C[C@H]21	ZINC000299843521	EG	Annotated	Anodyne	
C[C@H]1CN(Cc2ccsc2)C[C@]12CCN(Cc1cccnc1)C2=O	ZINC000299843681	EG	Annotated	Anodyne	 
CN(C)[C@H]1CN(Cc2cccnc2)C[C@@H]1c1cn(C)c2ccccc12	ZINC000299843733	EG	Annotated	Anodyne	
Cc1occc1C(=O)N1C[C@H]2CCC[C@@H](OCc3cccnc3)[C@@H]2C1	ZINC000299843774	EG	Annotated	Anodyne	
Cc1occc1C(=O)N1C[C@H]2CCC[C@H](OCc3cccnc3)[C@@H]2C1	ZINC000299843775	EG	Annotated	Anodyne	
Cc1cc(C[C@H]2COC[C@@H]2NCc2ccccc2C(F)(F)F)on1	ZINC000299843858	EG	Annotated	Anodyne	
CN(C)[C@H]1CN(Cc2ccccc2O)C[C@@H]1c1cn(C)c2ccccc12	ZINC000299843878	EG	Annotated	Clean	
Fc1ccc(CN2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@H]32)cc1	ZINC000299843932	EG	Annotated	Anodyne	
C[C@@H]1[C@H](c2ccccc2)O[C@@H](c2ccccc2)C[C@]12NNC(=S)N2	ZINC000299846687	EG	Annotated	Anodyne	
C[C@@H]1[C@H](c2ccccc2)O[C@H](c2ccccc2)C[C@@]12NNC(=S)N2	ZINC000299846688	EG	Annotated	Anodyne	
CC(C)(C)[C@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1O2	ZINC000299846711	EG	Annotated	Mild	
CC(C)(C)[C@@H]1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1O2	ZINC000299846713	EG	Annotated	Mild	
Cc1cc(C)c([C@@H]2C(=O)N3C[C@H]4CCCC[C@H]4CN3C2=O)c(C)c1	ZINC000299847290	EG	Annotated	Clean	
Cc1cc(C)c([C@H]2C(=O)N3C[C@H]4CCCC[C@H]4CN3C2=O)c(C)c1	ZINC000299847293	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])ccc1N=Nc1c(N)[nH]n(-c2ccccc2)c1=O	ZINC000299847341	EG	Annotated	Clean	
O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@H]3CC4(CC[C@H]3CN12)OCCO4	ZINC000299847480	EG	Annotated	Anodyne	
O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@@H]3CC4(CC[C@H]3CN12)OCCO4	ZINC000299847487	EG	Annotated	Anodyne	
C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@H]3[C@]1(C)C[C@@H](O)c1ccoc1	ZINC000299847525	EG	Annotated	Anodyne	
C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@H]3[C@]1(C)C[C@H](O)c1ccoc1	ZINC000299847527	EG	Annotated	Anodyne	
O=C1C[C@@H]2CCCC[C@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000299847633	EG	Annotated	Bother	
O=C1C[C@@H]2CCCC[C@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000299847635	EG	Annotated	Bother	
O=C1C[C@@H]2CCC[C@H]2C(=O)[C@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000299847636	EG	Annotated	Bother	
O=C1C[C@@H]2CCC[C@H]2C(=O)[C@@H]1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000299847638	EG	Annotated	Bother	
COc1ccc2c(c1OC)C=N[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OCO[C@@H]3C[C@@H]12	ZINC000299848182	EG	Annotated	Anodyne	
COc1ccc2c(c1OC)C=N[C@@H]1[C@@H]2CC[C@@H]2C[C@@H]3OCO[C@H]3C[C@@H]12	ZINC000299848185	EG	Annotated	Anodyne	
COc1ccc2c(c1OC)C=N[C@H]1[C@H]3C[C@@H]4OCO[C@H]4C[C@H]3CC[C@H]21	ZINC000299848187	EG	Annotated	Anodyne	
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000299848319	EG	Annotated	Mild	in-vitro
CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@H](c3ccccc3)[C@@H]2C1	ZINC000299848742	EG	Annotated	Anodyne	
CN1C/C(=C\c2ccccc2)C2=NN(CCO)[C@H](c3ccccc3)[C@H]2C1	ZINC000299848747	EG	Annotated	Anodyne	
CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@H]1N(C)C	ZINC000299849272	EG	Annotated	Anodyne	
CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@H]1N(C)C	ZINC000299849274	EG	Annotated	Anodyne	
CC[C@H](C)Nc1nccc(-c2cnc3sc(C)c(C)n3c2=O)n1	ZINC000299849457	EG	Annotated	Anodyne	
NCCSc1nccc(-c2cnc(C3CC3)nc2-c2ccco2)n1	ZINC000299849869	EG	Annotated	Anodyne	
CS(=O)(=O)N1C[C@@]2(CCN(C3CCCCC3)C2)Cc2ccccc21	ZINC000299850084	EG	Annotated	Anodyne	
CS(=O)(=O)N1C[C@]2(CCN(C3CCCCC3)C2)Cc2ccccc21	ZINC000299850086	EG	Annotated	Anodyne	
O=C(NC[C@H]1CCCC[C@H]1O)c1ccc2nc(-c3ccco3)[nH]c2c1	ZINC000299850194	EG	Annotated	Anodyne	
CC(C)NC(=O)N1CC(=O)c2sc(NC3CCCCC3)nc2C1	ZINC000299850226	EG	Annotated	Anodyne	
Cc1ncc(-c2ccnc(N[C@@H](C)CO)n2)c(C2CCCCC2)n1	ZINC000299850237	EG	Annotated	Anodyne	
c1cncc(-c2nc(C3CC3)ncc2-c2ccnc(N3CCCC3)n2)c1	ZINC000299850240	EG	Annotated	Anodyne	
Cc1ncc(-c2ccnc(SCCN(C)C)n2)c(-c2ccco2)n1	ZINC000299850282	EG	Annotated	Anodyne	
CC(C)CC(=O)N1CC(=O)c2sc(NC3CCCCC3)nc2C1	ZINC000299850287	EG	Annotated	Anodyne	
CN1CCCN(c2nccc(-c3c[nH]nc3C3CCCCC3)n2)CC1	ZINC000299850302	EG	Annotated	Anodyne	
Cn1cc(C(=O)N2CCC[C@@H](Cc3cncc4ccccc34)C2)cn1	ZINC000299850350	EG	Annotated	Anodyne	
Cn1cc(C(=O)N2CCC[C@H](Cc3cncc4ccccc34)C2)cn1	ZINC000299850351	EG	Annotated	Anodyne	
c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4ccc5[nH]ccc5c4)C[C@@H]32)c1	ZINC000299850444	EG	Annotated	Anodyne	
CN1CCC(Cc2cccc(-c3cc(F)ccc3C(=O)O)n2)CC1	ZINC000299850464	EG	Annotated	Anodyne	
CN1N=C2/C(=C/c3ccccc3)CN(C(N)=O)C[C@@H]2[C@H]1c1ccccc1	ZINC000299850696	EG	Annotated	Anodyne	
c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4ccc5cc[nH]c5c4)C[C@@H]32)c1	ZINC000299850739	EG	Annotated	Anodyne	
O=C(c1cnccn1)N1CCC[C@@H](Cc2cccc3ncccc23)C1	ZINC000299850800	EG	Annotated	Anodyne	
O=C(c1cnccn1)N1CCC[C@H](Cc2cccc3ncccc23)C1	ZINC000299850801	EG	Annotated	Anodyne	
CO[C@H]1CN(C(=O)c2ccc3oc(C)cc3c2)CC[C@@]12CCCO2	ZINC000299850841	EG	Annotated	Anodyne	
c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4c[nH]c5ccccc45)C[C@@H]32)c1	ZINC000299850998	EG	Annotated	Anodyne	
Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@@H]2CCCN(C)C2)n1	ZINC000299851000	EG	Annotated	Anodyne	
Cc1cc(-c2cc(F)ccc2C(=O)O)nc([C@H]2CCCN(C)C2)n1	ZINC000299851001	EG	Annotated	Anodyne	
CC(C)N1CC[C@H](Cc2cc(-c3cc(F)ccc3C(=O)O)ncn2)C1	ZINC000299851003	EG	Annotated	Anodyne	
CC(C)N1CC[C@@H](Cc2cc(-c3cc(F)ccc3C(=O)O)ncn2)C1	ZINC000299851004	EG	Annotated	Anodyne	
O=C(c1cnccn1)N1CCC[C@@H](Cc2cncc3ccccc23)C1	ZINC000299851016	EG	Annotated	Anodyne	
O=C(c1cnccn1)N1CCC[C@H](Cc2cncc3ccccc23)C1	ZINC000299851017	EG	Annotated	Anodyne	
Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1O	ZINC000299851472	EG	Annotated	Clean	
Cc1nc(-c2ccccc2C(=O)O)cc([C@H]2CCN(C(C)C)C2)n1	ZINC000299851480	EG	Annotated	Anodyne	
Cc1nc(-c2ccccc2C(=O)O)cc([C@@H]2CCN(C(C)C)C2)n1	ZINC000299851481	EG	Annotated	Anodyne	
CC(C)CN1C[C@H](COCc2ccccc2)Oc2ncccc2C1=O	ZINC000299851744	EG	Annotated	Anodyne	
C=C1[C@@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3	ZINC000299852072	EG	Annotated	Mild	
COCCOC(=O)N1CC2=CC(C)(C)COc3ccc(OC)c(c32)C1	ZINC000299852337	EG	Annotated	Anodyne	
Cc1ccc(CCN2CCC[C@]23Cc2ccccc2CNC3=O)cc1	ZINC000299852546	EG	Annotated	Anodyne	
Cc1ccc(CCN2CCC[C@@]23Cc2ccccc2CNC3=O)cc1	ZINC000299852547	EG	Annotated	Anodyne	
O=C(c1ccc(Cl)cc1)N1C[C@@]2(CCNC2)OCc2ccccc21	ZINC000299852592	EG	Annotated	Anodyne	
O=C(c1ccc(Cl)cc1)N1C[C@]2(CCNC2)OCc2ccccc21	ZINC000299852593	EG	Annotated	Anodyne	
Cn1ccc2ccnc(CC3CN(C(=O)C4CCC(F)(F)CC4)C3)c21	ZINC000299852862	EG	Annotated	Anodyne	
CCC[C@H]1CN(CCOc2ccccc2)C(=O)c2cccnc2O1	ZINC000299852888	EG	Annotated	Anodyne	
CCC[C@@H]1CN(CCOc2ccccc2)C(=O)c2cccnc2O1	ZINC000299852889	EG	Annotated	Anodyne	
CNCc1cc(S(=O)(=O)c2ccccc2)n(-c2ccccc2)c1	ZINC000299853369	EG	Annotated	Anodyne	
COc1nccc(N2CCC(N(C)Cc3ccccc3Cl)CC2)n1	ZINC000299854547	EG	Annotated	Anodyne	
O=S(=O)(CCC(F)=C(F)F)c1ncc(-c2ccncc2)s1	ZINC000299855517	EG	Annotated	Anodyne	
C=C(C(=O)O)[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@H](C)[C@H]2CC(=O)C(C)=C[C@H]21	ZINC000299855615	EG	Annotated	Mild	
COc1ccc(/N=C/c2ccc(OC(C)=O)c(OC)c2[N+](=O)[O-])cc1	ZINC000299855837	EG	Annotated	Mild	
COc1cc(C2=CCOc3cc(CO)ccc32)cc(OC)c1OC	ZINC000299856147	EG	Annotated	Anodyne	
CC(C)CCOc1cccc(-c2cc([S@](C)=O)c(C#N)c(O)n2)c1	ZINC000299856444	EG	Annotated	Mild	
CC(C)CCOc1cccc(-c2cc([S@@](C)=O)c(C#N)c(O)n2)c1	ZINC000299856445	EG	Annotated	Mild	
COc1ccc2c(c1N)OCC=C2c1cc(OC)c(OC)c(OC)c1	ZINC000299856531	EG	Annotated	Anodyne	
C=CCOc1nc([C@@](C)(O)c2ccc(OC)cc2)c2ccccc2n1	ZINC000299856788	EG	Annotated	Mild	
C=CCOc1nc([C@](C)(O)c2ccc(OC)cc2)c2ccccc2n1	ZINC000299856789	EG	Annotated	Mild	
CN(C)CCn1c(/C=C/c2ccc(F)cc2)nc2ccccc2c1=O	ZINC000299857024	EG	Annotated	Anodyne	
COc1nccc(N2CCC(N(C)Cc3cccc(Cl)c3)CC2)n1	ZINC000299857195	EG	Annotated	Anodyne	
Cc1ccc(C)c(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c1	ZINC000299857409	EG	Annotated	Mild	
C=CCc1ccc(OCc2cn(-c3cccc(C#N)c3)nn2)c(O)c1	ZINC000299857803	EG	Annotated	Mild	
CCN(CCO)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	ZINC000299857893	EG	Annotated	Reactive	
COc1ccc(-c2ccc3nnc(-c4ccc(O)c(OC)c4)n3c2)cn1	ZINC000299857967	EG	Annotated	Anodyne	
C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1ccc(Br)cc1	ZINC000299858583	EG	Annotated	Mild	
C=C1C(=O)OC[C@H]1CCOC(=O)Nc1ccc(Br)cc1	ZINC000299858584	EG	Annotated	Mild	
COc1ccc2c3nc4ccccc4n(CCN(C)C)c-3cc(=O)c2c1	ZINC000299858706	EG	Annotated	Bother	
CN(C)CCCn1c(/C=C/c2cccc(O)c2)nc2ccccc2c1=O	ZINC000299859533	EG	Annotated	Anodyne	
O=c1[nH]n2c(O)c3c(nc2c1/N=N/c1ccccc1Cl)CCC3	ZINC000299860414	EG	Annotated	Clean	
COc1ccc2[nH]c(CCCO)c(/C=C/C(=O)c3ccncc3)c2c1	ZINC000299860616	EG	Annotated	Mild	
CC1(C)Cc2c(-c3ccc(Br)cc3)n[nH]c2[C@H](C(N)=O)C1	ZINC000299860778	EG	Annotated	Anodyne	
CC1(C)Cc2c(-c3ccc(Br)cc3)n[nH]c2[C@@H](C(N)=O)C1	ZINC000299860779	EG	Annotated	Anodyne	
CO[C@H]1CCN(C(=O)CC(C)(C)C)CC(=O)N(C)c2ccccc21	ZINC000299860790	EG	Annotated	Anodyne	
CO[C@@H]1CCN(C(=O)CC(C)(C)C)CC(=O)N(C)c2ccccc21	ZINC000299860791	EG	Annotated	Anodyne	
CCOP(=O)(OCC)[C@H]1CCN(OCc2ccccc2)C(=O)C1	ZINC000299861081	EG	Annotated	Anodyne	
CCOP(=O)(OCC)[C@@H]1CCN(OCc2ccccc2)C(=O)C1	ZINC000299861082	EG	Annotated	Anodyne	
O=c1c2nccn2c2c(n1C1CC1)-c1cccc(-c3ccccn3)c1C2	ZINC000299861582	EG	Annotated	Anodyne	
CSc1nccc(N2CCC(N(C)Cc3ccc(F)cc3)CC2)n1	ZINC000299862280	EG	Annotated	Anodyne	
CNCc1nc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)s1	ZINC000299862384	EG	Annotated	Anodyne	
CCn1c(NC(C)C)nc2c(-c3ccnc(OC)c3)csc2c1=O	ZINC000299863115	EG	Annotated	Anodyne	
COc1cc(N2CCC(N(C)Cc3cccc(Cl)c3)CC2)ncn1	ZINC000299863452	EG	Annotated	Anodyne	
COc1ccc2c(c1O)OCC=C2c1cc(OC)c(OC)c(OC)c1	ZINC000299863504	EG	Annotated	Anodyne	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](O)c1ccoc1	ZINC000299863520	EG	Annotated	Mild	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](O)c1ccoc1	ZINC000299863521	EG	Annotated	Mild	
COc1ccc2c(c1O)OCC[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000299863534	EG	Annotated	Anodyne	
COc1ccc2c(c1O)OCC[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000299863535	EG	Annotated	Anodyne	
COc1ccc2c(c1N)OCC[C@@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000299864217	EG	Annotated	Anodyne	
COc1ccc2c(c1N)OCC[C@H]2c1cc(OC)c(OC)c(OC)c1	ZINC000299864218	EG	Annotated	Anodyne	
O=C1NC2=C(CCc3c2cccc3[N+](=O)[O-])CN1c1ccccc1O	ZINC000299864264	EG	Annotated	Bother	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ncc[nH]1	ZINC000299864274	EG	Annotated	Clean	
Cc1cc2nc(CCc3ccccc3)n(S(C)(=O)=O)c2cc1C	ZINC000299864570	EG	Annotated	Anodyne	
Cc1ccc(O)c(N2CC=C(c3cccc([N+](=O)[O-])c3)NC2=O)c1	ZINC000299865071	EG	Annotated	Bother	
CSc1nccc(N2CCC(N(C)Cc3cccc(F)c3)CC2)n1	ZINC000299865830	EG	Annotated	Anodyne	
COc1cccc(N2CC=C(c3cccc([N+](=O)[O-])c3)NC2=O)c1	ZINC000299866196	EG	Annotated	Bother	
C=CCc1ccc(OCc2cn(-c3ccc(C#N)cc3)nn2)c(O)c1	ZINC000299866410	EG	Annotated	Mild	
O=c1cc(CO)oc([C@H]2C=C(c3ccccc3)Oc3ccccc32)c1O	ZINC000299866413	EG	Annotated	Anodyne	
O=c1cc(CO)oc([C@@H]2C=C(c3ccccc3)Oc3ccccc32)c1O	ZINC000299866414	EG	Annotated	Anodyne	
CC(C)CN1C(=O)C(=Cc2ccccc2)C(=O)N(CC(C)C)C1=O	ZINC000299866491	EG	Annotated	Clean	
Cc1ccc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c(C)c1	ZINC000299866644	EG	Annotated	Mild	
CO[C@@H]1CN(C(=O)CC2CCCC2)CCC(=O)N(C)c2ccccc21	ZINC000299867301	EG	Annotated	Anodyne	
CO[C@H]1CN(C(=O)CC2CCCC2)CCC(=O)N(C)c2ccccc21	ZINC000299867302	EG	Annotated	Anodyne	
CCCCNc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1	ZINC000299867804	EG	Annotated	Reactive	
O=C1C[C@H](Sc2ccccc2F)N1C(=O)NCc1ccccc1	ZINC000299867869	EG	Annotated	Anodyne	
O=C1C[C@@H](Sc2ccccc2F)N1C(=O)NCc1ccccc1	ZINC000299867870	EG	Annotated	Anodyne	
COc1ccc2ccc(=O)oc2c1C1=NN[C@@H](c2cccs2)C1	ZINC000299868619	EG	Annotated	Anodyne	
COc1ccc2ccc(=O)oc2c1C1=NN[C@H](c2cccs2)C1	ZINC000299868620	EG	Annotated	Anodyne	
C=C1C(=O)OC[C@@H]1CCOC(=O)Nc1cccc(Br)c1	ZINC000299868960	EG	Annotated	Mild	
C=C1C(=O)OC[C@H]1CCOC(=O)Nc1cccc(Br)c1	ZINC000299868961	EG	Annotated	Mild	
CN1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)CC1	ZINC000299869488	EG	Annotated	Reactive	
CO[C@H]1CN(C(=O)CC(C)(C)C)CCC(=O)N(C)c2ccccc21	ZINC000299869514	EG	Annotated	Anodyne	
CO[C@@H]1CN(C(=O)CC(C)(C)C)CCC(=O)N(C)c2ccccc21	ZINC000299869515	EG	Annotated	Anodyne	
CC(C)CC1=C[C@H](c2oc(CO)cc(=O)c2O)c2ccccc2O1	ZINC000299869704	EG	Annotated	Anodyne	
CC(C)CC1=C[C@@H](c2oc(CO)cc(=O)c2O)c2ccccc2O1	ZINC000299869705	EG	Annotated	Anodyne	
O=C1C[C@H](Sc2cccc(F)c2)N1C(=O)NCc1ccccc1	ZINC000299871114	EG	Annotated	Anodyne	
O=C1C[C@@H](Sc2cccc(F)c2)N1C(=O)NCc1ccccc1	ZINC000299871115	EG	Annotated	Anodyne	
CO[C@@H]1CCN(C(=O)CC2CCCC2)CC(=O)N(C)c2ccccc21	ZINC000299871264	EG	Annotated	Anodyne	
CO[C@H]1CCN(C(=O)CC2CCCC2)CC(=O)N(C)c2ccccc21	ZINC000299871265	EG	Annotated	Anodyne	
Cc1cc(C)cc(Sc2nc3c(N)ncn(CCCC#N)c-3n2)c1	ZINC000299871381	EG	Annotated	Mild	
CCOc1nn(-c2ncc(CC)cn2)c(C)c1C(=O)c1ccccc1	ZINC000299872080	EG	Annotated	Anodyne	
COc1ccc(/C=N/c2ccc(N3CCOCC3)c(F)c2)cc1OC	ZINC000299872087	EG	Annotated	Mild	
CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@@H](C)CC[C@@H]24)CC1	ZINC000299873779	EG	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299874388	EG	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](C)CN(C)C	ZINC000299874389	EG	Annotated	Anodyne	 
C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@H](O)C[C@@H]2C	ZINC000299877040	EG	Annotated	Mild	 
C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@H]2C	ZINC000299877041	EG	Annotated	Mild	 
C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C/CC/C(C)=C/[C@@H](O)C[C@@H]2C	ZINC000299877042	EG	Annotated	Mild	 
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)CC	ZINC000299878332	EG	Annotated	Anodyne	 
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)CC	ZINC000299878333	EG	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@H]4CCCO4)[C@H]3C[C@H]12	ZINC000299884979	EG	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@H]4CCCO4)[C@H]3C[C@@H]12	ZINC000299884980	EG	Annotated	Anodyne	 
C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)C1	ZINC000299885019	EG	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](CN3CCC[C@@H](C)C3)C(=O)O[C@@]23[C@H]2O[C@]2(C)CC[C@H]13	ZINC000299885020	EG	Annotated	Anodyne	 
C[C@@H]1CCCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@@H]24)C1	ZINC000299885021	EG	Annotated	Anodyne	 
C[C@H]1CC[C@H]2[C@H](CN3CCC[C@@H](C)C3)C(=O)O[C@]23[C@@H]1CC[C@@]1(C)O[C@H]13	ZINC000299885022	EG	Annotated	Anodyne	 
Cc1cc(OCCCn2cnc3ccccc3c2=O)ccc1[N+](=O)[O-]	ZINC000003000683	EG	Annotated	Bother	 
CC(C)CC/N=C(\O)CCNC(=O)c1ccc(Br)o1	ZINC000003017973	EG	Annotated	Anodyne	 
COc1ccc(Cl)cc1NC(=O)[C@H]1CSC(c2ccncc2)=N1	ZINC000003030088	EG	Annotated	Anodyne	 
COc1ccc(Cl)cc1NC(=O)[C@@H]1CSC(c2ccncc2)=N1	ZINC000003030090	EG	Annotated	Anodyne	 
Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(F)cc3C)sc2n1	ZINC000003030654	EG	Annotated	Anodyne	 
Cc1ccccc1Cc1c(C)nc2c(C(=O)n3ccnc3)cnn2c1C	ZINC000003033434	EG	Annotated	Anodyne	 
CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1	ZINC000003040051	EG	Annotated	Anodyne	 
CN(C)C=NC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1	ZINC000003069935	EG	Annotated	Anodyne	 
CC(C)C1=CC(=NOS(=O)(=O)c2ccccc2)C=C(C(C)C)C1=O	ZINC000003078333	EG	Annotated	Mild	 
C[C@@]12CC[C@H]3C[C@]1(C#N)N(NC(=O)c1ccc(Cl)cc1)C[C@]32C	ZINC000003105554	EG	Annotated	Mild	 
C[C@@H]1CC(=O)[C@]23CO[C@H]4O[C@H](c5ccoc5)C[C@@]41[C@H]2CCC[C@]31CO1	ZINC000003108772	EG	Annotated	Anodyne	
CCN(CC)[P@@](=S)(c1ccccc1)c1c(C)nc2ccccn12	ZINC000003124057	EG	Annotated	Reactive	 
CCN(CC)[P@](=S)(c1ccccc1)c1c(C)nc2ccccn12	ZINC000003124058	EG	Annotated	Reactive	 
Cn1c(CC(=O)c2ccc(Br)cc2)[n+](C)c2ccccc21	ZINC000003176778	EG	Annotated	Anodyne	 
Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1	ZINC000003192470	EG	Annotated	Anodyne	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2CC(=O)N(C)c1ccccc1	ZINC000003194115	EG	Annotated	Anodyne	 
O=C(c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)c1ncccn1	ZINC000003196784	EG	Annotated	Anodyne	 
CC1=C2[C@@H](O)C(=O)O[C@@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C	ZINC000003197426	EG	Annotated	Mild	
Cc1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(C)c1O2	ZINC000003197684	EG	Annotated	Anodyne	in-vitro
CC(=O)c1c(O)c(C)c(O)c2c1oc1c(C(C)=O)c(O)c(C)c(O)c12	ZINC000003197694	EG	Annotated	Anodyne	in-vitro
Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(C)n(C3CC3)c2C)cc1	ZINC000003201894	EG	Annotated	Mild	 
O=S1(=O)CCN2C(c3cc(Cl)ccc3Cl)=CSC2=N1	ZINC000003212610	EG	Annotated	Anodyne	 
COc1cc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1	ZINC000003223027	EG	Annotated	Anodyne	 
FC(F)Oc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1	ZINC000003223201	EG	Annotated	Mild	 
COc1cc([C@H]2NC(c3ccccc3)=NO2)cc(Br)c1O	ZINC000003233212	EG	Annotated	Anodyne	
COc1cc([C@@H]2NC(c3ccccc3)=NO2)cc(Br)c1O	ZINC000003233213	EG	Annotated	Anodyne	
Oc1ccc(-c2n[nH]cc2-c2ccn(-c3ccccc3)n2)c(O)c1O	ZINC000003240397	EG	Annotated	Clean	
Cc1cc(NC(=O)Cc2cn3ccsc3n2)n(-c2ccccc2)n1	ZINC000003242377	EG	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)/N=c2\ccc(Cl)cn2C(F)F)cc1	ZINC000003251806	EG	Annotated	Anodyne	 
Cc1nc2ccccn2c1[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21	ZINC000003270937	EG	Annotated	Anodyne	
Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1OC(F)F	ZINC000003276401	EG	Annotated	Mild	 
Cc1cc(/C=N/N2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1	ZINC000003291984	EG	Annotated	Mild	 
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(O)ccc1N	ZINC000003297034	EG	Annotated	Anodyne	 
Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(OC(F)F)cc1	ZINC000003299928	EG	Annotated	Mild	 
CCOc1cccc(/C=N/N=C/c2cccc(OCC)c2O)c1O	ZINC000003310221	EG	Annotated	Mild	 
Cc1cc(C(=O)COC(=O)c2ccncc2)c(C)n1Cc1ccco1	ZINC000003314031	EG	Annotated	Anodyne	 
C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F	ZINC000003319450	EG	Annotated	Mild	 
O=C(CO/N=C/c1ccccc1OC(F)F)NC1CCCCC1	ZINC000003319804	EG	Annotated	Mild	 
O=C(CO/N=C/c1ccccc1OC(F)F)N1CCc2ccccc21	ZINC000003324159	EG	Annotated	Mild	 
O=C(CO/N=C/c1ccccc1OC(F)F)NCc1cccs1	ZINC000003329641	EG	Annotated	Mild	 
O=C(CO/N=C/c1ccc(OC(F)F)cc1)N1CCc2ccccc21	ZINC000003330004	EG	Annotated	Mild	 
C[C@@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1	ZINC000003332579	EG	Annotated	Mild	 
O=C(CO/N=C/c1ccc(OC(F)F)cc1)NCc1cccs1	ZINC000003333285	EG	Annotated	Mild	 
Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(C(=O)O)cc1	ZINC000003342343	EG	Annotated	Mild	 
CN(C)[C@@H](CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1	ZINC000003365786	EG	Annotated	Anodyne	 
CN(C)[C@H](CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1	ZINC000003365789	EG	Annotated	Anodyne	 
O=C(O)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12	ZINC000003378649	EG	Annotated	Anodyne	 
C[C@H]1CCc2c(C(=O)Oc3cccc(-n4cnnn4)c3)csc2C1	ZINC000003398713	EG	Annotated	Anodyne	
C[C@@H]1CCc2c(C(=O)Oc3cccc(-n4cnnn4)c3)csc2C1	ZINC000003398716	EG	Annotated	Anodyne	
Cc1c(-c2cc[n+]([O-])cc2)oc2ccc(Br)cc2c1=O	ZINC000003419176	EG	Annotated	Anodyne	 
COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(F)cc1)N(C)C	ZINC000003441456	EG	Annotated	Anodyne	 
COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(F)cc1)N(C)C	ZINC000003441459	EG	Annotated	Anodyne	 
O=Cc1cc2ccccc2cc1N=CCOS(=O)(=O)C(F)(F)F	ZINC000301054795	EG	Annotated	Unstable	 
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=NO)c1ccccc1O2	ZINC000301055236	EG	Annotated	Mild	 
CCCN1C[C@H](C[S@](C)=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]21	ZINC000306147284	EG	Annotated	Anodyne	 
C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000031158339	EG	Annotated	Anodyne	 
CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12	ZINC000031165907	EG	Annotated	Anodyne	 
C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@@H](O)OC1=O	ZINC000031168144	EG	Annotated	Mild	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@@H]1CCC(=O)N2	ZINC000031829846	EG	Annotated	Anodyne	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5nonc5CC[C@]34C)[C@@H]1CCC(=O)N2	ZINC000031829847	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1/N=C\c1ccc(Br)cc1	ZINC000031840332	EG	Annotated	Mild	
COc1ccc(N/N=C/C2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1	ZINC000031861954	EG	Annotated	Reactive	
O=[N+]([O-])c1cccnc1NCC1(CO)CC(Cc2ccccc2)C1	ZINC000031862435	EG	Annotated	Bother	
COc1ccc(/C=C2\N=C(SC)N(CN3CCCCC3)C2=O)cc1	ZINC000031872385	EG	Annotated	Anodyne	
CSC1=N/C(=C\c2ccc(C)cc2)C(=O)N1CN1CCCCC1	ZINC000031872387	EG	Annotated	Anodyne	
N#Cc1c(N2CC[C@@H](O)C2)c2ccccc2n2c1nc1ccccc12	ZINC000031896068	EG	Annotated	Mild	
CCOC(=O)c1cc2c([nH]1)C(=O)CC1=C2CCN1Cc1ccccc1	ZINC000031896911	EG	Annotated	Anodyne	
Clc1cc(N2CCOCC2)nc2nc(N3CCCCC3)ccc12	ZINC000032037611	EG	Annotated	Anodyne	 
Cc1ccc2c(N3CCOCC3)c(C)c(N3CCCCC3)nc2n1	ZINC000032037635	EG	Annotated	Anodyne	 
CCOC(=O)C(=C(O)c1ccccc1)n1c(C)[n+](C)c2ccccc21	ZINC000032067896	EG	Annotated	Anodyne	 
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13[C@H](O)O[C@H]4OC(=O)[C@H](CC[C@H]21)[C@@H]43	ZINC000032072146	EG	Annotated	Anodyne	
C=CCC1=C(O)C(=O)C2=C(C=C[C@@H]3C(C)(C)[C@@H](O)CC[C@]23C)C1=O	ZINC000032264396	EG	Annotated	Mild	 
CC[C@@H]1C[C@H]2C[C@H]3[C@@H]1N(CC[C@]31Nc3ccc(OC)cc3C1=O)C2	ZINC000032297242	EG	Annotated	Anodyne	
COC(=O)/C(C)=C/COc1ccc2c(OC)c3ccoc3nc2c1	ZINC000032297565	EG	Annotated	Anodyne	
COc1cc(/C=C/C(=O)OC[C@H]2CCCN3CCCC[C@H]23)ccc1O	ZINC000032302903	EG	Annotated	Anodyne	 
Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1	ZINC000327091291	EG	Annotated	Anodyne	 
Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2=O)cc1	ZINC000033028648	EG	Annotated	Anodyne	 
Cc1ccc(CN2C[C@@H](C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2=O)cc1	ZINC000033028649	EG	Annotated	Anodyne	 
Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)CC2=O)cc1	ZINC000033028650	EG	Annotated	Anodyne	 
Cc1ccc(CN2C[C@@H](C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)CC2=O)cc1	ZINC000033028651	EG	Annotated	Anodyne	 
O=C(CNc1cccc2ccccc12)N/N=C\c1ccc([N+](=O)[O-])cc1	ZINC000033282100	EG	Annotated	Reactive	 
CC(/C=N\NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1	ZINC000033284296	EG	Annotated	Reactive	 
C[C@H](C(=O)/N=C1/C=C(C2CC2)N=N1)c1ccc(N2CCNC2=O)cc1	ZINC000033295965	EG	Annotated	Mild	in-vivo
CC(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000033362984	EG	Annotated	Anodyne	 
CC(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000033362985	EG	Annotated	Anodyne	 
CC(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000033362986	EG	Annotated	Anodyne	 
CC(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1	ZINC000033362987	EG	Annotated	Anodyne	 
CC(/C=N\NC(=O)CCn1nnc2ccccc21)=C\c1ccccc1	ZINC000033363210	EG	Annotated	Reactive	 
Cc1cc(SCC2=NNC(=O)/C2=C\N(C)C)c(Cl)cc1Cl	ZINC000033381032	EG	Annotated	Clean	 
O=C(O[C@@H](C(=O)NCc1ccco1)c1ccc(F)cc1)c1ccco1	ZINC000033696019	EG	Annotated	Anodyne	
O=C(O[C@H](C(=O)NCc1ccco1)c1ccc(F)cc1)c1ccco1	ZINC000033696020	EG	Annotated	Anodyne	
C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000033803680	EG	Annotated	Mild	in-man
C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000033803681	EG	Annotated	Mild	in-man
C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000033803682	EG	Annotated	Mild	in-man
CO[C@@H]1O[C@@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N(C)C	ZINC000033815026	EG	Annotated	Anodyne	 
CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@@H]1N(C)C	ZINC000033815027	EG	Annotated	Anodyne	 
CO[C@@H]1O[C@@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@H]1N(C)C	ZINC000033815028	EG	Annotated	Anodyne	 
CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)C(=O)C[C@H]1N(C)C	ZINC000033815029	EG	Annotated	Anodyne	 
CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@H](O)C[C@@H]1N(C)C	ZINC000033815035	EG	Annotated	Anodyne	 
CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@@H]1N(C)C	ZINC000033815037	EG	Annotated	Anodyne	 
O=C1NCc2ccccc2OCC/C=C\c2cncc3ccc1nc23	ZINC000033817209	EG	Annotated	Anodyne	 
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@]4(CC[C@@H]21)OC[C@]4(O)C3	ZINC000033830127	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N	ZINC000033832040	EG	Annotated	Clean	in-man biogenic
COC(=O)c1cncc2c1C=C[C@H]1c3[nH]c4ccccc4c3CCN1C2	ZINC000033832930	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000033833055	EG	Annotated	Mild	in-vitro biogenic
CCOc1cc2c(C(=O)O)cn(CC(C)C)c(=O)c2cc1OCC	ZINC000033834175	EG	Annotated	Anodyne	 
C[C@H]1CN(/C(S)=N/N[C@@H](C)c2nccc3ccccc23)C[C@H](C)O1	ZINC000033845801	EG	Annotated	Mild	
C[N+](C)(C)CCCN1CCN(c2ccccc2)c2ccccc2C1=O	ZINC000033854389	EG	Annotated	Bother	 
C[C@@H](C[N+](C)(C)C)N1CCN(c2ccccc2)c2ccccc2C1=O	ZINC000033854391	EG	Annotated	Bother	 
C[C@H](C[N+](C)(C)C)N1CCN(c2ccccc2)c2ccccc2C1=O	ZINC000033854393	EG	Annotated	Bother	 
C=C(c1cc(C)cc(C)c1OC[C@H](O)CNC(C)(C)C)n1ccnc1	ZINC000033886638	EG	Annotated	Anodyne	
C=C(c1cc(C)cc(C)c1OC[C@@H](O)CNC(C)(C)C)n1ccnc1	ZINC000033886639	EG	Annotated	Anodyne	
COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1	ZINC000033913689	EG	Annotated	Mild	 
COC(=O)[C@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1	ZINC000033913690	EG	Annotated	Mild	 
COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@@H]2C)CN1	ZINC000033913691	EG	Annotated	Mild	 
COC(=O)[C@@]1(CC(C)C)C=C2C(=C(c3ccccc3)C(=O)[C@H]2C)CN1	ZINC000033913692	EG	Annotated	Mild	 
CCCOCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC	ZINC000033922997	EG	Annotated	Anodyne	
O=C1Nc2ccc(Br)cc2/C1=C1\SC(=S)N=C1O	ZINC000033929197	EG	Annotated	Anodyne	 
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O	ZINC000033940398	EG	Annotated	Mild	
C=C1C[C@]23C[C@H]1CC=C2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC	ZINC000033952888	EG	Annotated	Mild	in-vitro biogenic
C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](O)CC3)CO	ZINC000033955878	EG	Annotated	Mild	 
COc1cc2ccc([C@](O)(c3cnc[nH]3)C(C)C)cc2cc1OC	ZINC000033974951	EG	Annotated	Anodyne	
Cc1ccc([C@H](O)[C@@H]2CN(C)CC[C@@]2(O)c2ccc(C)cc2)cc1	ZINC000033981663	EG	Annotated	Anodyne	
C/C1=C\C=C(\[C@@](C)(O)CO)C[C@H](O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1	ZINC000033982073	EG	Annotated	Anodyne	 
OC1CCN(CC2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)CC1	ZINC000033982538	EG	Annotated	Anodyne	
Cc1c(Cc2cc(Cl)cc(Cl)c2)c(N(C)C)nn1CCO	ZINC000033993541	EG	Annotated	Anodyne	
CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O	ZINC000033997141	EG	Annotated	Anodyne	
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccnn3)N2)cc1	ZINC000034005945	EG	Annotated	Anodyne	
Cc1nc2c(-c3ccc(O)cc3)[nH]c(-c3ccc(O)cc3)cn-2c1=O	ZINC000034028871	EG	Annotated	Anodyne	
Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1	ZINC000034029051	EG	Annotated	Anodyne	
Cc1cc(OC(=O)N2CCN3CCC2CC3)ccc1Br	ZINC000034029194	EG	Annotated	Anodyne	
Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1	ZINC000034053691	EG	Annotated	Anodyne	
CCc1nn(CCO)c(N(C)C)c1Cc1cc(Cl)cc(Cl)c1	ZINC000034054035	EG	Annotated	Anodyne	
C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C	ZINC000034059155	EG	Annotated	Mild	
C/C1=C\C=C(\[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1	ZINC000034059394	EG	Annotated	Reactive	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\C#N)c1	ZINC000034080930	EG	Annotated	Reactive	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/C#N)c1	ZINC000034080934	EG	Annotated	Reactive	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C)C#N)c1	ZINC000034080940	EG	Annotated	Reactive	
CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C(C)=C/C#N)c1	ZINC000034080953	EG	Annotated	Reactive	
C[C@]1(COc2ccc(C(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1	ZINC000034086758	EG	Annotated	Bother	
C=C(C=O)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2	ZINC000034093646	EG	Annotated	Reactive	
COc1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1	ZINC000034093701	EG	Annotated	Reactive	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1	ZINC000034093702	EG	Annotated	Reactive	
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)CO[C@@H](C1=CCOC1=O)C3	ZINC000034093776	EG	Annotated	Anodyne	 
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@H]12)CO[C@@H](C1=CCOC1=O)C3	ZINC000034093777	EG	Annotated	Anodyne	 
C=C1CC[C@H]2[C@@H]([C@H]3C(COC(C)=O)=CO[C@H](OC(C)=O)[C@@H]13)C2(C)C	ZINC000034093902	EG	Annotated	Mild	
C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@@H](O)OC3=O	ZINC000034093918	EG	Annotated	Anodyne	 
CC(C)CC(=O)O[C@@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000034101445	EG	Annotated	Anodyne	 
CC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)C[C@H]1C=C(Cl)Cl	ZINC000034132159	EG	Annotated	Anodyne	 
CC(=O)[C@@H]1C(=O)C[C@@](O)(c2ccccc2)C[C@@H]1C=C(Cl)Cl	ZINC000034132162	EG	Annotated	Anodyne	 
CC1(C)O[C@H]2c3ccc(O)cc3OC[C@@]2(Cc2ccc(O)c(O)c2)O1	ZINC000034165775	EG	Annotated	Clean	in-vitro biogenic
CC1(C)O[C@H]2c3ccc(O)cc3OC[C@@]2(Cc2ccc(O)cc2)O1	ZINC000034165777	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(/C)CCC[C@H](C)[C@H]2O	ZINC000034172714	EG	Annotated	Mild	 
CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1	ZINC000034190063	EG	Annotated	Anodyne	
COC(=O)C[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC[C@@]1(C)OC(C)=O	ZINC000034277919	EG	Annotated	Anodyne	
O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12	ZINC000034322438	EG	Annotated	Bother	
O=c1c(-c2cccnc2F)cc(-c2ccccn2)cn1-c1cccnc1	ZINC000034334558	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1	ZINC000034334942	EG	Annotated	Reactive	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1	ZINC000034334944	EG	Annotated	Reactive	
CC[C@H]1CN(C)[C@H](c2[nH]c3ccccc3c2CCO)C[C@@H]1CCO	ZINC000034338056	EG	Annotated	Anodyne	 
C=C1CC[C@@H](O)[C@@]2(C)CC[C@@]3(O)O[C@@]12C[C@@]3(C)CCC(=O)C(C)C	ZINC000034345454	EG	Annotated	Mild	
CCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cn1	ZINC000034362620	EG	Annotated	Anodyne	 
NC/C=C/CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000034373197	EG	Annotated	Anodyne	
NC/C=C/CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	ZINC000034373198	EG	Annotated	Anodyne	
Oc1c(-c2n[nH]c(Cc3ccc(Cl)cc3)n2)ncc2cccnc12	ZINC000034432909	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](O)[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=CCOC1=O	ZINC000034433942	EG	Annotated	Anodyne	in-vitro biogenic
Cc1ccc2c(c1C(=O)/C=C/C(C)(C)O)C(=O)C(O)=C(C(C)C)C2=O	ZINC000034469473	EG	Annotated	Mild	 
CC[C@H]1C[N+]23CCc4c([nH]c5c(C(=O)O)c(O)ccc45)[C@@H]2C[C@@H]1CC3	ZINC000034495443	EG	Annotated	Bother	 
Oc1ccc(O)c2c1C=C[C@@H](O)C21Oc2cccc3cccc(c23)O1	ZINC000034499501	EG	Annotated	Anodyne	 
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O	ZINC000034503152	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1	ZINC000034534061	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)=CCC[C@]1(C)CC[C@@H](O)[C@@]2(C)[C@H]1CC=C1C(=O)O[C@@H](O)[C@@H]12	ZINC000034534065	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](O)[C@]23C(=CCC[C@@H]2[C@@]1(C)CCc1ccoc1)CO[C@H]3O	ZINC000034541965	EG	Annotated	Anodyne	
Cc1occc1[C@H]1CC[C@H]2[C@@H](CC=C3C[C@@H](O)[C@H](O)C[C@@]32C)C1=O	ZINC000034542067	EG	Annotated	Anodyne	in-vitro biogenic
CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccnc3)nnc1-2	ZINC000034556927	EG	Annotated	Anodyne	
CC(C)Oc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12	ZINC000034578072	EG	Annotated	Anodyne	
C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C(=O)O[C@@]2(/C=C/C=C(C)C)CO	ZINC000034598584	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@](O)(CC[C@H]12)[C@@]1(CO1)C3	ZINC000034598637	EG	Annotated	Anodyne	
CC(C)[C@H]1CC[C@H]2[C@@H]3C=C[C@](C)(O)[C@H](O)C[C@]3(C)CC[C@@]21C(=O)O	ZINC000034598696	EG	Annotated	Anodyne	
CCOC(Cn1cccc1C(=O)C(Cl)(Cl)Cl)OCC	ZINC000034623411	EG	Annotated	Anodyne	 
Cc1nc(C(=O)Nc2ccc(O)c(C)n2)c(Nc2cccnc2)s1	ZINC000034634566	EG	Annotated	Anodyne	
COC(=O)c1ccc(N2C[C@H]3C[C@@]34C2=CC(=O)c2ccccc24)cc1	ZINC000034646311	EG	Annotated	Mild	
CC[C@@H]1CO[C@@H](O)[C@H]2[C@H]1C[C@H]1c3c(c4ccccc4n3C)C[C@@H]2N1C	ZINC000034649429	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(O)CC2=CCC[C@H](C)[C@]21C	ZINC000034649577	EG	Annotated	Anodyne	in-vitro biogenic
Cc1coc2c1C(=O)C1=C(C2=O)[C@@]23CCCC(C)(C)[C@@H]2C[C@@H]1OC3=O	ZINC000034659074	EG	Annotated	Mild	
N#Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl	ZINC000034659231	EG	Annotated	Mild	
C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C=O)CCCC(C)(C)[C@@H]1CC2	ZINC000034729490	EG	Annotated	Mild	 
CC(=O)N[C@@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21	ZINC000034741339	EG	Annotated	Anodyne	
CC(=O)N[C@]1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21	ZINC000034741340	EG	Annotated	Anodyne	
C/C(=N/NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccco1	ZINC000034780390	EG	Annotated	Reactive	 
O=C1ON=C(c2ccc(O)cc2)/C1=C/c1ccc(N2CCCC2)cc1	ZINC000034799881	EG	Annotated	Mild	
CCOC(=O)[C@H]1C[C@]12C(=S)Nc1ccc(Br)cc12	ZINC000034817241	EG	Annotated	Anodyne	
O=C(O)c1cc2[nH]c(-c3ccco3)c(C3CCCCC3)c(=O)n2n1	ZINC000034820393	EG	Annotated	Anodyne	 
O=C(O)c1cc2[nH]c(-c3cccs3)c(C3CCCCC3)c(=O)n2n1	ZINC000034820397	EG	Annotated	Anodyne	 
C=CCNC(=O)[C@]12C[C@@]1(CCCC)c1cc(Cl)ccc1NC2=O	ZINC000034821545	EG	Annotated	Mild	
C=CCNC(=O)[C@@]12C[C@]1(CCCC)c1cc(Cl)ccc1NC2=O	ZINC000034821547	EG	Annotated	Mild	
COc1cc(OC2=CS(=O)c3ccccc32)cc(OC)c1OC	ZINC000034822100	EG	Annotated	Anodyne	
CNc1nc(N)nc2nc(-c3c(OC)cccc3C(F)(F)F)ccc12	ZINC000034843517	EG	Annotated	Anodyne	
CNc1nc(N)nc2nc(-c3ccccc3Br)ccc12	ZINC000034844660	EG	Annotated	Anodyne	
CNc1nc(N)nc2nc(-c3c(F)cccc3C(F)(F)F)ccc12	ZINC000034845167	EG	Annotated	Anodyne	
CC(C)CCC[C@](C)(O[P@@](=O)(O)OP(=O)(O)O)[C@@H](C)F	ZINC000034855091	EG	Annotated	Anodyne	
CC(C)CCC[C@](C)(O[P@@](=O)(O)OP(=O)(O)O)[C@H](C)F	ZINC000034855092	EG	Annotated	Anodyne	
COc1ccc(CCn2ncc(C(=O)c3ccc(C)c(C)c3)n2)cc1	ZINC000034867553	EG	Annotated	Anodyne	
O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2CCC[C@@H]1c1cnoc1C2	ZINC000034891764	EG	Annotated	Anodyne	
COc1cc(C(N)=O)ccc1-n1c2c(c3ccccc31)C(=O)CCC2	ZINC000034985042	EG	Annotated	Anodyne	
CCn1c(=O)n([C@H](CCNC)c2cccc(F)c2)c2c(F)cccc21	ZINC000034986676	EG	Annotated	Anodyne	
O=S(=O)(Cc1ccccc1Oc1ccccc1)c1cccc[n+]1[O-]	ZINC000003586989	EG	Annotated	Anodyne	 
Cc1ccc(NC2=CC(=O)c3nc(-c4ccccn4)[nH]c3C2=O)cc1	ZINC000003588214	EG	Annotated	Mild	
Cc1c(C(=O)NNc2ccccc2)n2c(S)nnc2c2ccccc12	ZINC000003588680	EG	Annotated	Reactive	
CCc1cc(CCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1	ZINC000003590229	EG	Annotated	Anodyne	
CCn1nnc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)n1	ZINC000003590235	EG	Annotated	Anodyne	
Cc1cc(CCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1	ZINC000003590247	EG	Annotated	Anodyne	
CC(C)NCCC[C@@H](C)Nc1ccnc2ccc3nn(C)nc3c12	ZINC000003593725	EG	Annotated	Anodyne	
Nc1nc2ccc(/C(=N/O)c3ccccc3)nn2c1-c1ccccc1	ZINC000003595295	EG	Annotated	Mild	
O=C1c2cc3ccoc3cc2O[C@H]2COc3cc4c(cc3[C@@H]12)OCO4	ZINC000003596887	EG	Annotated	Anodyne	in-man
COc1cc2c(cc1OC)O[C@@H](c1c(OC)ccc(OC)c1O)CC2	ZINC000003597224	EG	Annotated	Anodyne	
Cc1ccc(N2CCC(CCOc3ccc(/C=N/O)cc3)CC2)nn1	ZINC000003618028	EG	Annotated	Mild	
O=C1CN(Cc2ccc3ccccc3c2)S(=O)(=O)c2ccccc21	ZINC000003630079	EG	Annotated	Anodyne	
COc1ccc(C[C@@H]2COc3cc(OC)cc(OC)c3C2=O)cc1	ZINC000003637251	EG	Annotated	Anodyne	 
O=C(N/C=N/c1cccnc1)c1cccc(COCC(F)(F)F)c1	ZINC000003638883	EG	Annotated	Mild	 
CCC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C	ZINC000003646561	EG	Annotated	Anodyne	 
CN(C)c1ccc(-c2nc(NCc3ccccc3)nc(O)c2C#N)cc1	ZINC000003649576	EG	Annotated	Mild	
COc1ccc(-c2[nH]c(NC3CCCCCC3)nc(=O)c2C#N)cc1	ZINC000003649599	EG	Annotated	Mild	
Cc1ccc(-c2[nH]c(N3CCc4ccccc4C3)nc(=O)c2C#N)cc1	ZINC000003649633	EG	Annotated	Mild	
C[C@@H]1C[C@H](C[C@@H]2CCC(=O)N2Cc2ccccc2)C[C@H](CC(N)=O)C1	ZINC000003779115	EG	Annotated	Anodyne	
Cn1cc(-c2noc([C@@H]3CN4CCC3CC4)n2)c2cc(F)ccc21	ZINC000003780324	EG	Annotated	Anodyne	
CC1(C)Oc2cc(C(F)(F)F)ccc2[C@@H](N2CCCCC2=O)[C@@H]1O	ZINC000003785295	EG	Annotated	Anodyne	
N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=O	ZINC000003801012	EG	Annotated	Mild	
Cc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O	ZINC000003805658	EG	Annotated	Bother	
Nc1nc(N)c2c(n1)CC[C@H](CNc1cc(Cl)ccc1Cl)C2	ZINC000003814877	EG	Annotated	Anodyne	
CNc1cc2ncn(C)/c(=N\c3cccc(Br)c3)c2cn1	ZINC000003815125	EG	Annotated	Anodyne	
O=C(C[C@@H]1CN2CCC1CC2)Nc1ccc2cccc([N+](=O)[O-])c2c1	ZINC000003818275	EG	Annotated	Bother	 
Cn1ccn2c(-c3ccc(F)c(-c4ccccc4C#N)c3)cnc2c1=O	ZINC000003820376	EG	Annotated	Mild	
CCC(C)(C)/N=c1\c(O)c(O)\c1=N/Cc1ccc(Cl)cc1Cl	ZINC000003822740	EG	Annotated	Anodyne	
CC[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(C#N)cc1)c1ccccc1	ZINC000003823964	EG	Annotated	Mild	
Cc1ccc([C@@H](C)/N=c2\c(O)c(O)\c2=N/c2ccc(C#N)cc2)cc1	ZINC000003823966	EG	Annotated	Mild	
NC(=O)N(O)[C@@H]1C=C[C@H](Oc2cccc(Oc3ccc(F)cc3)c2)C1	ZINC000003825995	EG	Annotated	Anodyne	 
O=C(c1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21	ZINC000003834107	EG	Annotated	Clean	
COc1cc2c(c(N)c1OC)C(=O)/C(=C\c1cc(C)c(O)c(C)c1)C2	ZINC000003872902	EG	Annotated	Mild	
Clc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1	ZINC000003911159	EG	Annotated	Anodyne	 
Cc1ccc2cc(CCNC(=O)c3c(F)cccc3F)c(=O)[nH]c2c1	ZINC000003911705	EG	Annotated	Anodyne	 
C[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccccn1)c1ccccc1	ZINC000003922164	EG	Annotated	Anodyne	
O=C1CO[C@@](C#CC2CC2)(C(F)(F)F)c2cc(Cl)ccc2N1	ZINC000003922461	EG	Annotated	Mild	
C/C1=C\C=C(\[C@@](C)(O)CO)C[C@@H](O)/C(C)=C/CC[C@]2(C)O[C@H]2CC1	ZINC000003926301	EG	Annotated	Anodyne	 
O=C1Nc2c(C(F)(F)F)cccc2[C@@]1(O)c1cc(Cl)ccc1O	ZINC000003928902	EG	Annotated	Anodyne	
C[C@H]1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C	ZINC000003940658	EG	Annotated	Anodyne	
Cc1ccc([C@H]2CC[C@]3(C)[C@@H](/C=N/OCCN)CC[C@]3(O)C2)cc1	ZINC000003946455	EG	Annotated	Mild	
O=C1[C@H]2[C@H]3CC[C@H](C3)N2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12	ZINC000003948655	EG	Annotated	Bother	
CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1	ZINC000003955248	EG	Annotated	Anodyne	
CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1	ZINC000003955249	EG	Annotated	Anodyne	
CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1	ZINC000003955250	EG	Annotated	Anodyne	
Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)C2	ZINC000003955777	EG	Annotated	Anodyne	 
Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1	ZINC000003955884	EG	Annotated	Anodyne	 
O=C(c1cccc(F)c1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1	ZINC000003955940	EG	Annotated	Anodyne	 
O=C(c1csnn1)N1CCC2(CCCN(c3ccccc3)C2)CC1	ZINC000003956155	EG	Annotated	Anodyne	 
N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc1	ZINC000003956177	EG	Annotated	Mild	aggregator
COC(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1	ZINC000003956210	EG	Annotated	Mild	 
C=CCN1c2cc(F)ccc2NC(=O)[C@]1(C#CC1CC1)C(F)(F)F	ZINC000003963046	EG	Annotated	Mild	
COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](O)C2=O	ZINC000003965591	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1cc([C@H]2CCCNC2)c2ccccc21	ZINC000003976223	EG	Annotated	Anodyne	in-vivo
CC1=C2[C@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978313	EG	Annotated	Mild	in-vitro
CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978314	EG	Annotated	Mild	in-vitro
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978315	EG	Annotated	Mild	in-vitro
CC1=C2[C@@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@]23C	ZINC000003978316	EG	Annotated	Mild	in-vitro
CC1=C(Cl)C(O)=CC(=O)[C@@]12Oc1cc(O)c(Cl)c(C)c1C2=O	ZINC000003979047	EG	Annotated	Mild	in-vitro
CC1=C(Cl)C(O)=CC(=O)[C@]12Oc1cc(O)c(Cl)c(C)c1C2=O	ZINC000003979048	EG	Annotated	Mild	in-vitro
O=C1NCc2ccccc2OCC/C=C/c2cncc3ccc1nc23	ZINC000003979637	EG	Annotated	Anodyne	 
CC1=CC2=NC[C@@H](C(=O)c3ccc(Br)cc3)CN2C=C1	ZINC000003987286	EG	Annotated	Anodyne	
COc1cc(OC)nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1	ZINC000035010624	EG	Annotated	Mild	
Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(Cl)cc2F)n1	ZINC000035016111	EG	Annotated	Anodyne	
C=C(C)[C@H]1CC[C@@]23CC[C@@H](C[C@H]2[C@]1(C)CCC(=O)O)[C@@](O)(CO)C3	ZINC000035029417	EG	Annotated	Mild	
CC1=C[C@H]2[C@H](O)CC[C@@H](C)[C@@H]2[C@@H](/C=C/C=C/C(=O)O)[C@H]1/C(C)=C/CO	ZINC000035034288	EG	Annotated	Anodyne	
COC(=O)c1ccc(NC(=O)/N=c2\cc(C)[nH]c3ccccc23)cc1	ZINC000035049760	EG	Annotated	Anodyne	
Cc1c/c(=N\C(=O)Nc2ccc(C(=O)O)c(O)c2)c2ccccc2[nH]1	ZINC000035049763	EG	Annotated	Anodyne	
C[C@H]1CN2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075231	EG	Annotated	Anodyne	
C[C@]12CC[C@@]34COC(=O)C3=C[C@H](O)C[C@@H]4[C@@]1(C)C[C@H](c1ccoc1)O2	ZINC000035086326	EG	Annotated	Anodyne	
O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1ccccc1O	ZINC000035242418	EG	Annotated	Clean	
C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)CC(=O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000035276613	EG	Annotated	Mild	
COc1ccc(-c2cc(-c3cccn3C)c(C#N)c(N)n2)cc1OC	ZINC000035342888	EG	Annotated	Anodyne	 
C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCC1=C[C@H](O)OC1=O	ZINC000035464895	EG	Annotated	Mild	in-vitro biogenic
COc1ccc([C@@H](O)[C@H](C)O[C@H](c2ccc(OC)cc2)[C@H](C)O)cc1	ZINC000035465331	EG	Annotated	Anodyne	in-man
COc1ccc([C@H](O[C@@H](C)[C@H](O)c2ccc(OC)cc2)[C@H](C)O)cc1	ZINC000035465334	EG	Annotated	Anodyne	in-man
COc1ccc([C@H](O[C@@H](C)[C@H](O)c2ccc(OC)cc2)[C@@H](C)O)cc1	ZINC000035465337	EG	Annotated	Anodyne	in-man
Cc1cc(N(C)Cc2ccccc2)n2nc(-c3cccnc3)nc2n1	ZINC000035476002	EG	Annotated	Anodyne	 
CCc1c(C)nc2nc(NCc3ccc(C(C)C)cc3)nn2c1O	ZINC000035562357	EG	Annotated	Anodyne	 
CC(C)c1ccc(CNc2nc3nc4c(c(O)n3n2)CCCC4)cc1	ZINC000035562360	EG	Annotated	Anodyne	 
NS(=O)(=O)c1cc(-c2nc3ccc(Cl)cc3s2)cs1	ZINC000035789055	EG	Annotated	Anodyne	
CCCN(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1	ZINC000035812559	EG	Annotated	Anodyne	
CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2occc2c1	ZINC000035839993	EG	Annotated	Mild	
CN(C)c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000035845964	EG	Annotated	Mild	
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)C2=O	ZINC000035845983	EG	Annotated	Clean	
CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@]1(C)C[C@@H]3[C@H](C[C@@H]1C2)C3(C)C	ZINC000035876261	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3Cc4occc4C(=O)[C@@H]3C[C@@H](O)[C@@H]12	ZINC000035900084	EG	Annotated	Anodyne	 
CC(C)C[C@@H]1NC(=O)[C@@H](SCc2cccc(C(F)(F)F)c2)C1=O	ZINC000035942027	EG	Annotated	Anodyne	
COc1ccc(N2CC[C@H](N)[C@H](c3cccc(C)c3)C2)cc1OC	ZINC000035942375	EG	Annotated	Clean	in-vivo
C=C1CC[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000035965434	EG	Annotated	Mild	
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1	ZINC000035978883	EG	Annotated	Anodyne	
C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccccc1O	ZINC000035995522	EG	Annotated	Mild	
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2cccc(F)c21	ZINC000035996051	EG	Annotated	Anodyne	
Cc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12	ZINC000036064707	EG	Annotated	Anodyne	 
CCCCCCCCCCCCc1cc([C@@H](O)[C@@H](N)CO)on1	ZINC000036079870	EG	Annotated	Mild	
Cc1oc2ccc(N3C[C@]4(CN5CCC4CC5)OC3=O)cc2c1C	ZINC000036079931	EG	Annotated	Anodyne	
O=C1[C@H]2CCCN2[C@@H](c2c(F)cccc2Cl)N1c1nccs1	ZINC000036082184	EG	Annotated	Anodyne	 
O=C1[C@H]2CCCN2[C@H](c2c(F)cccc2Cl)N1c1nccs1	ZINC000036082186	EG	Annotated	Anodyne	 
COCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093148	EG	Annotated	Anodyne	
CCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093149	EG	Annotated	Anodyne	
CC(C)(O)CN(Cc1ccc(F)cc1C(F)(F)F)C1CCNCC1	ZINC000036093166	EG	Annotated	Anodyne	
CC(C)(C)c1cc(-c2nnc(N=C(N)N)s2)cc(C(C)(C)C)c1O	ZINC000036126891	EG	Annotated	Mild	
CNC(=O)Oc1cc(C)c(/C=C/c2cncc(C(=O)O)c2)c(C)c1	ZINC000036187611	EG	Annotated	Anodyne	
CC1=NN(C)[C@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12	ZINC000036187621	EG	Annotated	Mild	
CC1=NN(C)[C@H]2[C@@H]1N/C(=N/c1c(C)cccc1Cl)c1cnc(C)n12	ZINC000036187622	EG	Annotated	Mild	
CCO/N=C(\CCN1CCN(c2nccs2)CC1)c1ccccc1	ZINC000036216730	EG	Annotated	Mild	
C[C@H]1C(=O)N(C2CCCCCC2)C[C@@H]1COc1ccc(C#N)cn1	ZINC000036286287	EG	Annotated	Mild	
CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)O[C@@H]1C	ZINC000036289045	EG	Annotated	Reactive	
CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)O[C@H]1C	ZINC000036289046	EG	Annotated	Reactive	
C=C[C@@]1(C)C[C@@]2(OC[C@@]3(C)O[C@H]32)Oc2c1c(=O)oc1cccc(C)c21	ZINC000036374429	EG	Annotated	Mild	
C=C(C)[C@H]1C[C@]2(C)[C@@H](C)C[C@H](O)C[C@H]2[C@H](OC(=O)C=C(C)C)[C@@H]1O	ZINC000036374469	EG	Annotated	Mild	
C=C(C)[C@H](O)Cc1cc(CCc2cc(O)cc(O)c2)cc(O)c1OC	ZINC000036374836	EG	Annotated	Mild	 
C=C(C)[C@@H](O)Cc1cc(CCc2cc(O)cc(O)c2)cc(O)c1OC	ZINC000036374839	EG	Annotated	Mild	 
CC(C)(O)CCc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21	ZINC000036375442	EG	Annotated	Anodyne	 
Cc1nc2cc(Br)ccc2c(=O)n1Cc1cccc(O)c1	ZINC000036376361	EG	Annotated	Anodyne	
C/C=C(/CO)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C	ZINC000036378616	EG	Annotated	Anodyne	
C=C[C@H]1C(=C)CC[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C	ZINC000036378672	EG	Annotated	Mild	
C=C[C@H]1C(=C)CC[C@@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)O)[C@H](O)CC[C@]21C	ZINC000036378673	EG	Annotated	Mild	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@@H]1C2=O	ZINC000036378998	EG	Annotated	Anodyne	
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CC[C@H](O)[C@H]1C2=O	ZINC000036379000	EG	Annotated	Anodyne	
Cn1c2cc(C#N)sc2c2cnn(Cc3ccccc3F)c(=O)c21	ZINC000036379096	EG	Annotated	Mild	
O=S(=O)(c1ccc2c(c1)[C@H](O)c1ccccc1CC2)C(F)(F)F	ZINC000036379297	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc2c(c1)[C@@H](O)c1ccccc1CC2)C(F)(F)F	ZINC000036379298	EG	Annotated	Anodyne	 
Cc1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12	ZINC000036380171	EG	Annotated	Anodyne	
Cc1cccc(-c2csc3ncnc(Sc4nnnn4C)c23)c1	ZINC000036380172	EG	Annotated	Anodyne	
Cn1nnnc1Sc1ncnc2scc(-c3ccccc3F)c12	ZINC000036380175	EG	Annotated	Anodyne	
Cn1nnnc1Sc1ncnc2scc(-c3cccc(F)c3)c12	ZINC000036380176	EG	Annotated	Anodyne	 
Cn1nnnc1Sc1ncnc2scc(-c3cccs3)c12	ZINC000036380199	EG	Annotated	Anodyne	 
Cn1nnnc1Sc1ncnc2scc(-c3ccsc3)c12	ZINC000036380200	EG	Annotated	Anodyne	 
CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccccc2C)C1	ZINC000036380463	EG	Annotated	Anodyne	
C[C@H]1CN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1	ZINC000036380485	EG	Annotated	Anodyne	 
CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(C)cc2)C1	ZINC000036380598	EG	Annotated	Anodyne	
CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(C)c2)C1	ZINC000036380657	EG	Annotated	Anodyne	
CCCN1CNc2c(c(=O)[nH]c(=S)n2CCCc2ccccc2)C1	ZINC000036380758	EG	Annotated	Anodyne	
Cn1ccc2cc(-c3csc(N4CCC(C(N)=O)CC4)n3)ccc21	ZINC000036380807	EG	Annotated	Anodyne	 
COc1ccc(C#Cc2cnc(Cl)c3cncnc23)cc1OC	ZINC000036380987	EG	Annotated	Mild	
OCCN(CCO)c1ccc(/C=C/c2ccnc3ccccc23)cc1	ZINC000036381139	EG	Annotated	Clean	 
Cc1c(C(O)(c2ccccc2)c2ccccc2)n2ccccc2[n+]1C	ZINC000036381353	EG	Annotated	Anodyne	 
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)O	ZINC000036381741	EG	Annotated	Mild	 
C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC	ZINC000036381749	EG	Annotated	Mild	 
C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1ccc(OC)cc1)[C@@H]2C	ZINC000036381754	EG	Annotated	Mild	 
COC(=O)C1=C2CCCO[C@H]2[C@H]2[C@@H]1c1ccccc1[C@@H](OC)[C@@H]2C	ZINC000036381783	EG	Annotated	Anodyne	
COC[C@@H](O)[C@H]1OCc2cc(OC)ccc2[C@@H]1/C=C/c1ccccc1	ZINC000036381849	EG	Annotated	Anodyne	 
COC[C@@H](O)[C@H]1OCc2cccc(OC)c2[C@@H]1/C=C/c1ccccc1	ZINC000036381850	EG	Annotated	Anodyne	 
C#CCN1C(=O)[C@]2(OCCC=C[C@H]2C)c2c(Br)cccc21	ZINC000036381889	EG	Annotated	Mild	
C#CCN1C(=O)[C@@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21	ZINC000036381976	EG	Annotated	Mild	
CC(C)C[C@@H](CN=[N+]=[N-])N1CCN(CCc2ccccc2)CCC1=O	ZINC000036382885	EG	Annotated	Clean	
CCCCNC(=O)[C@@H]1CC=C[C@@H]2CCN(C3CCCCC3)C(=O)[C@@H]21	ZINC000036382906	EG	Annotated	Anodyne	
C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccc(F)cc1	ZINC000036382939	EG	Annotated	Anodyne	
C[C@@H]1[C@H](c2ccccc2)OCCS(=O)(=O)N1Cc1ccccc1F	ZINC000036382952	EG	Annotated	Anodyne	 
CCCCN1CC[C@H]2C=CC[C@@H](C(=O)NC3CCCCC3)[C@H]2C1=O	ZINC000036382963	EG	Annotated	Anodyne	
Cc1ccccc1CN1[C@H](C)[C@H](c2ccccc2)OCCS1(=O)=O	ZINC000036383002	EG	Annotated	Anodyne	
CC[C@H]1C(=O)[C@@H](Cc2ccccc2)[C@@H]2CCN3C(=O)CCC[C@H]1[C@H]23	ZINC000036383019	EG	Annotated	Anodyne	 
O=C1CCC[C@@H]2Cc3nc4cc5c(cc4cc3[C@@H]3CCN1[C@@H]32)OCO5	ZINC000036383070	EG	Annotated	Anodyne	 
Cc1ccc(CN2[C@H](C)[C@H](c3ccccc3)OCCS2(=O)=O)cc1	ZINC000036383079	EG	Annotated	Anodyne	
O=C(Nc1ccccc1)O[C@H]1C[C@@H]2CCN3C(=O)CCC[C@H](C1)[C@H]23	ZINC000036383155	EG	Annotated	Anodyne	 
CC[C@@H]1C(=O)[C@H](Cc2ccccc2)[C@H]2CCCC(=O)N3CC[C@@H]1[C@@H]23	ZINC000036383181	EG	Annotated	Anodyne	 
Nc1c(Cl)cc(C2=NCCn3c2c2ccccc2[n+]3[O-])cc1Cl	ZINC000036383457	EG	Annotated	Anodyne	 
Cc1ccc(C2=NCCn3c2c2ccc(C(F)(F)F)cc2[n+]3[O-])cc1	ZINC000036383485	EG	Annotated	Anodyne	 
CCOC(=O)c1cc(-c2ccccc2)nn1Cc1cc(CC)no1	ZINC000036384176	EG	Annotated	Anodyne	 
CC(C)N1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO	ZINC000036385576	EG	Annotated	Anodyne	 
CN1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H]1c1ccccc1	ZINC000036385581	EG	Annotated	Anodyne	 
CC(C)CCN1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO	ZINC000036385736	EG	Annotated	Anodyne	 
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C	ZINC000036386591	EG	Annotated	Anodyne	 
C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3=CC[C@@]21C	ZINC000036386592	EG	Annotated	Anodyne	 
CN(C)C1=NC[C@H](Cc2ccccc2)N1CCc1cccc(F)c1	ZINC000036386728	EG	Annotated	Anodyne	 
COc1ccc(-c2cn(CCO)c(-c3ccc(Cl)nc3)n2)cc1	ZINC000036387396	EG	Annotated	Anodyne	 
COc1ccc2cc(/C=N/S(=O)(=O)c3ccc(C)cc3)n(C)c2c1	ZINC000036387641	EG	Annotated	Mild	 
CCOC(=O)c1ccc(N2C(=O)[C@H]3CCOc4ccccc4[C@H]32)cc1	ZINC000036387663	EG	Annotated	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)[C@H]3CCOc4ccccc4[C@@H]32)cc1	ZINC000036387664	EG	Annotated	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CCOc4ccccc4[C@H]32)cc1	ZINC000036387665	EG	Annotated	Anodyne	 
CCOC(=O)c1ccc(N2C(=O)[C@@H]3CCOc4ccccc4[C@@H]32)cc1	ZINC000036387666	EG	Annotated	Anodyne	 
C=C(C)C[C@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C	ZINC000036387726	EG	Annotated	Mild	 
C=C(C)C[C@@]1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C	ZINC000036387727	EG	Annotated	Mild	 
CC1CCN(C(=O)c2[nH]cnc2C(=O)O[C@H](C)c2ccccc2)CC1	ZINC000036387802	EG	Annotated	Anodyne	 
CCOC(=O)c1cc(-c2ccccc2C)n(Cc2cc(C)no2)n1	ZINC000036387822	EG	Annotated	Anodyne	 
CCOC(=O)c1cc(-c2ccccc2C)nn1Cc1cc(C)no1	ZINC000036387824	EG	Annotated	Anodyne	 
CN(C)c1ccc(C#Cc2ccc3cc(CCCO)oc(=O)c3c2)cc1	ZINC000036388906	EG	Annotated	Mild	 
Cn1cncc1C#Cc1ccc2cc(C3(O)CCCCC3)oc(=O)c2c1	ZINC000036388913	EG	Annotated	Mild	 
N#Cc1ccc(C(=O)OCCCc2cc3ccccc3c(=O)o2)cc1	ZINC000036388922	EG	Annotated	Mild	 
CC(=O)C[C@@H](O)CC(=O)[C@H]1OC(=O)CCCCCCc2ccccc21	ZINC000036389193	EG	Annotated	Anodyne	 
CC(=O)C[C@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCc2ccccc21	ZINC000036389194	EG	Annotated	Anodyne	 
COc1cc2c3c(nccc3c1)[C@@](C)(O)c1c-2ccc(OC)c1OC	ZINC000036416417	EG	Annotated	Anodyne	in-vitro
COc1cc2c3c(nccc3c1)[C@](C)(O)c1c-2ccc(OC)c1OC	ZINC000036416418	EG	Annotated	Anodyne	in-vitro
C[C@@]12C[C@H](O)[C@@H]3[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(CC1=O)C2	ZINC000036422946	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C	ZINC000036423000	EG	Annotated	Reactive	 
C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](C=O)[C@@H]2Cc1c3n(C)c2c(OC)cccc12	ZINC000036423003	EG	Annotated	Mild	
C[C@@H](CO)N(C)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000036423998	EG	Annotated	Bother	
C[N+](C)(C)Cc1cc(-c2ccc(O)c(C[N+](C)(C)C)c2)ccc1O	ZINC000036466000	EG	Annotated	Clean	
CN1C(=O)CN(CCCCCCCl)c2ccc([N+](=O)[O-])cc21	ZINC000036470692	EG	Annotated	Reactive	
COP(=O)(OC)[C@@H](C)OC(=O)COc1ccc(F)cc1Cl	ZINC000036473693	EG	Annotated	Anodyne	 
COP(=O)(OC)[C@H](C)OC(=O)COc1ccc(F)cc1Cl	ZINC000036473694	EG	Annotated	Anodyne	 
O=C1C=CC(=C2N=CC=C(c3ccc(Br)cc3)N2)C=C1	ZINC000037868990	EG	Annotated	Mild	 
O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccc(Cl)cc2)C=C1	ZINC000377466634	EG	Annotated	Anodyne	
O=C1N=c2ccccc2=C1C=C1C=CN(Cc2cccc(Cl)c2)C=C1	ZINC000377466641	EG	Annotated	Anodyne	
O=C1N=c2ccccc2=C1C=C1C=CN(Cc2ccccc2Cl)C=C1	ZINC000377466653	EG	Annotated	Anodyne	
Cc1cc2c(cc1C)[n+](=O)c(N)c(-c1nc3ccccc3s1)n2O	ZINC000377553950	EG	Annotated	Anodyne	
COC(=O)c1c(C(C)(C)C)[n+](=O)c2cc(Cl)c(Cl)cc2n1O	ZINC000377722263	EG	Annotated	Anodyne	
CCCCCCNC(=O)N/N=C/c1ccc2c(c1)[N+](=O)C(C)(C)N2O	ZINC000377795131	EG	Annotated	Reactive	
CN(C)c1ccc2nc3c4ccccc4c(=NCCCO)cc-3oc2c1	ZINC000377803821	EG	Annotated	Bother	
N#Cc1c(-c2ccc(OC(F)(F)F)cc2)[n+](=O)c2ccccc2n1O	ZINC000377812077	EG	Annotated	Mild	
CCOC(=O)c1c(-c2ccc(Cl)cc2)n(O)c2ccccc2[n+]1=O	ZINC000377812965	EG	Annotated	Anodyne	
O=[n+]1[nH]c2c(Br)cnn2c2cc(-c3ccccc3)ccc21	ZINC000377815842	EG	Annotated	Anodyne	
N#Cc1c(-c2ccc(Cl)cc2)[n+](=O)c2cc(F)c(F)cc2n1O	ZINC000377815876	EG	Annotated	Mild	
CCOC(=O)c1c(-c2ccccc2)n(O)c2ccc(Cl)cc2[n+]1=O	ZINC000377818580	EG	Annotated	Anodyne	
Cc1ccc([S@+](N)(=O)NC(=O)N(C)c2ccc(Cl)cc2)cc1	ZINC000377820009	EG	Annotated	Mild	
Cc1ccc([S@@+](N)(=O)NC(=O)N(C)c2ccc(Cl)cc2)cc1	ZINC000377820010	EG	Annotated	Mild	
O=C(c1cccs1)c1c(C(F)(F)F)[n+](=O)c2ccccc2n1O	ZINC000377825234	EG	Annotated	Anodyne	
O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(C(F)(F)F)ccc21	ZINC000377827773	EG	Annotated	Anodyne	
O=[n+]1[nH]c2c(-c3cccs3)cnn2c2cc(C(F)(F)F)ccc21	ZINC000377827776	EG	Annotated	Anodyne	
Cc1ccc2c(c1)[n+](=O)c(C(F)F)c(C(=O)c1ccccc1)n2O	ZINC000377836336	EG	Annotated	Anodyne	
O=[n+]1[nH]c2c(-c3ccsc3)cnn2c2cc(-c3ccc[nH]3)ccc21	ZINC000377836348	EG	Annotated	Anodyne	
CCOC(=O)c1c(-c2ccccc2)[n+](=O)c2cc(Cl)ccc2n1O	ZINC000377836367	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1c(C(F)(F)F)[n+](=O)c2ccccc2n1O	ZINC000377836368	EG	Annotated	Anodyne	
Cc1ccc2c(c1)[n+](=O)c(C(F)(F)F)c(C(=O)c1ccccc1)n2O	ZINC000377836370	EG	Annotated	Anodyne	
O=[n+]1[nH]c2c(-c3ccc[nH]3)cnn2c2cc(-c3ccsc3)ccc21	ZINC000377836381	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1c(C(F)F)[n+](=O)c2cc(F)ccc2n1O	ZINC000377839269	EG	Annotated	Anodyne	
CCOc1ccc2c(c1)n(O)c(-c1ccc(Cl)cc1)c(N)[n+]2=O	ZINC000377840128	EG	Annotated	Anodyne	
CC(=O)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O	ZINC000377840460	EG	Annotated	Anodyne	
Cc1ccc(Nc2c(C#N)n(O)c3cc(Cl)ccc3[n+]2=O)cc1	ZINC000377841347	EG	Annotated	Mild	
N#Cc1c(Nc2ccc(F)cc2)[n+](=O)c2ccc(Cl)cc2n1O	ZINC000377841457	EG	Annotated	Mild	
Cc1cnn2c1[nH][n+](=O)c1ccc(OC[C@H](C)c3ccccc3)cc12	ZINC000377845194	EG	Annotated	Anodyne	
Cc1cnn2c1[nH][n+](=O)c1ccc(OC[C@@H](C)c3ccccc3)cc12	ZINC000377845197	EG	Annotated	Anodyne	
O=[n+]1[nH]n(Cc2ccccc2)c(C(=S)Nc2ccccc2)c1Cl	ZINC000377845645	EG	Annotated	Anodyne	
Cc1cccc(NN=C(C(N)=O)C2=NC(C)(C)Cc3ccccc32)c1	ZINC000377848902	EG	Annotated	Mild	
O=c1c2c([nH]c3c(/N=N/c4ccccc4Cl)c(O)nn13)CCC2	ZINC000377853405	EG	Annotated	Clean	
Cc1nc2ccccn2c1P(=O)(c1ccccc1)c1ccccc1	ZINC000038142189	EG	Annotated	Reactive	 
COC(=O)[C@@]1(C)[C@H]2C[C@@H](C)[C@H](c3ccccc32)N1C(=O)C(F)(F)F	ZINC000038142239	EG	Annotated	Anodyne	
C#CCN1C(=O)[C@]2(CC(C)=C[C@@H](C)O2)c2c(Br)cccc21	ZINC000038142361	EG	Annotated	Mild	
COc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O	ZINC000038142782	EG	Annotated	Reactive	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)c1n[nH]c(Cc2ccccc2)n1	ZINC000038144716	EG	Annotated	Reactive	
CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccccn1)CCC2	ZINC000038149926	EG	Annotated	Mild	
COc1ccc2c(c1)CN(C(=O)N(C)C)C[C@H]2c1cccc(O)c1	ZINC000038156062	EG	Annotated	Anodyne	
COc1ccc2c(c1)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1	ZINC000038156064	EG	Annotated	Anodyne	
CO[C@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCC2)OO1	ZINC000038158545	EG	Annotated	Reactive	
CO[C@@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCC2)OO1	ZINC000038158546	EG	Annotated	Reactive	
CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(CO)cc1	ZINC000038158738	EG	Annotated	Reactive	
COc1ccc(/C=N\Nc2snc(SC)c2C#N)cc1OC	ZINC000038199691	EG	Annotated	Mild	 
Cc1ccc(NC(=O)/C=N\OCC(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000038204133	EG	Annotated	Mild	 
CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2occc2c1	ZINC000038208268	EG	Annotated	Mild	
CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1C#Cc1ccc2occc2c1	ZINC000038208270	EG	Annotated	Mild	
CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1C#Cc1ccc2occc2c1	ZINC000038208272	EG	Annotated	Mild	
CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	ZINC000038208466	EG	Annotated	Clean	
CC(C)N(O)C(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1	ZINC000038214166	EG	Annotated	Anodyne	
Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2)s1	ZINC000038214210	EG	Annotated	Anodyne	
CCn1ncc2c(-c3cncc(Br)c3)c(C#N)c(C)nc21	ZINC000038214439	EG	Annotated	Mild	
Fc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21	ZINC000038223494	EG	Annotated	Anodyne	
CC1(C)Oc2cc3c(cc2C[C@H]1O)[C@@H]1Oc2cc(O)ccc2[C@@H]1CO3	ZINC000038223844	EG	Annotated	Anodyne	
C/C=C(\C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21	ZINC000038230437	EG	Annotated	Mild	 
O=C1CN(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc2N1	ZINC000038230488	EG	Annotated	Reactive	
NC(=O)C[S@](=O)Cc1ccccc1Oc1ccc2ccccc2c1	ZINC000038237921	EG	Annotated	Anodyne	
NC(=O)C[S@@](=O)Cc1ccccc1Oc1ccc2ccccc2c1	ZINC000038237922	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)c1	ZINC000038238012	EG	Annotated	Mild	
Cc1nc2cc(N3C[C@@]4(CN5CCC4CC5)OC3=O)ccc2s1	ZINC000038238425	EG	Annotated	Anodyne	
NS(=O)(=O)c1cc(-c2nc3ccc(F)c(Cl)c3s2)cs1	ZINC000038248731	EG	Annotated	Anodyne	
CC[C@H]1C[C@@H]2C[C@H]3C4=Nc5ccc(OC)cc5[C@@]4(O)CCN(C2)[C@@H]13	ZINC000038260043	EG	Annotated	Anodyne	
CCC1=C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24	ZINC000038260298	EG	Annotated	Anodyne	 
O=[N+]([O-])c1ccccc1/C=N/NC(=S)Nc1ncc(C2CCC2)o1	ZINC000038266917	EG	Annotated	Mild	
CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccsc2)c1	ZINC000038278387	EG	Annotated	Anodyne	
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2	ZINC000038278489	EG	Annotated	Anodyne	in-vitro biogenic
CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl	ZINC000038278723	EG	Annotated	Reactive	 
CCc1cccc(C)c1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl	ZINC000038278724	EG	Annotated	Reactive	 
CC(=O)O[C@@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](OC(C)=O)C[C@H]1C	ZINC000038321755	EG	Annotated	Anodyne	
CC#Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1OC)[C@@H](C)O2	ZINC000038329812	EG	Annotated	Mild	in-vitro biogenic
COc1ccc2nc(Nc3nc(=O)c4ccc(C)cc4[nH]3)nc(C)c2c1	ZINC000038330427	EG	Annotated	Anodyne	
CCOCc1cc(Br)c(O)c(O)c1Br	ZINC000038356134	EG	Annotated	Clean	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@]1(C)O[C@@H]13	ZINC000038356514	EG	Annotated	Anodyne	
CN1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1	ZINC000038357080	EG	Annotated	Anodyne	
CN1CCN(C[C@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1	ZINC000038357082	EG	Annotated	Anodyne	
COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C(C)=O	ZINC000038421792	EG	Annotated	Anodyne	in-vitro biogenic
N#Cc1cccc(-c2nc(Nc3cnccn3)sc2-n2ccnc2)c1	ZINC000038462825	EG	Annotated	Mild	
COc1cc2c(cc1OC)C(c1ccc3ccccc3c1)=NNC(=O)C2	ZINC000038462888	EG	Annotated	Anodyne	
CCN(CC)CC(=O)N[C@@H]1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21	ZINC000038463063	EG	Annotated	Anodyne	
CCN(CC)CC(=O)N[C@H]1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21	ZINC000038463064	EG	Annotated	Anodyne	
NCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000038476977	EG	Annotated	Anodyne	
NCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	ZINC000038476978	EG	Annotated	Anodyne	
C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/CCOC1=O	ZINC000038493157	EG	Annotated	Mild	in-vitro biogenic
C=C[C@@]1(C)C[C@@](O)([C@H]2OC2(C)C)Oc2c1c(=O)oc1cccc(C)c21	ZINC000038493742	EG	Annotated	Mild	 
Brc1cncc2nc([C@@H]3COc4ccccc4O3)[nH]c12	ZINC000380752797	EG	Annotated	Anodyne	 
C=C(CO)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2	ZINC000038692928	EG	Annotated	Mild	
CC(=O)[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O	ZINC000038693467	EG	Annotated	Anodyne	
CC(=O)C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C	ZINC000038693904	EG	Annotated	Mild	
CO[C@@H]1O[C@@H](OC)[C@H]2C1=CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C	ZINC000038821899	EG	Annotated	Anodyne	
CC/C(=N\NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1	ZINC000038822188	EG	Annotated	Mild	 
C[C@H]1[C@H]2O[C@H](c3ccoc3)C[C@]1(C)[C@H]1CC[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C	ZINC000038822496	EG	Annotated	Anodyne	
C[C@@H]1[C@H]2O[C@H](c3ccoc3)C[C@]1(C)[C@H]1CC[C@H]3O[C@]34C(=O)O[C@H]2[C@]14C	ZINC000038822498	EG	Annotated	Anodyne	
Cc1nc(N2CCCC2)c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1	ZINC000038846333	EG	Annotated	Bother	
C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C/C=C/C(C)(C)O)C(=O)OC[C@@H]12	ZINC000038846705	EG	Annotated	Mild	 
CO[C@H]1O[C@@H](OC)[C@H]2C1=CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C	ZINC000038883802	EG	Annotated	Anodyne	
CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C	ZINC000038883952	EG	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C	ZINC000038928459	EG	Annotated	Mild	
CC[C@@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000038961537	EG	Annotated	Bother	
CC[C@H](CO)NCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000038961538	EG	Annotated	Bother	
COc1cc(OC(C)=O)cc2cc(C)c(C(C)=O)c(OC(C)=O)c12	ZINC000038985090	EG	Annotated	Anodyne	
C=C[C@H]1C(C)(C)C(=O)[C@H]2C[C@]1(C)[C@@H]([C@H]1C/C(=C\C)C(=O)O1)[C@@]2(C)O	ZINC000038985255	EG	Annotated	Mild	
C[C@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O	ZINC000038985421	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1OC	ZINC000385609229	EG	Annotated	Anodyne	 
C[C@H]1CC[C@@]23CO[C@@H](C=C2CO)C[C@H]3[C@]1(C)CCC1=CC(=O)OC1	ZINC000039005934	EG	Annotated	Anodyne	
C=C(C)[C@@H]1C[C@@H](OC(=O)C=C(C)C)[C@@]2(C1)C(C)=CC(=O)[C@H](O)[C@H]2C	ZINC000039049722	EG	Annotated	Mild	
COC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)CC(=O)C(C(C)C)=C1C[C@H](O)[C@@H]2C	ZINC000039052063	EG	Annotated	Mild	
C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@H](O)OC3=O	ZINC000039137905	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C	ZINC000039158517	EG	Annotated	Mild	
C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O	ZINC000039177906	EG	Annotated	Anodyne	
CN1CCC(=C2c3ccccc3C(CO)=C(CO)c3ccccc32)CC1	ZINC000039215293	EG	Annotated	Anodyne	 
COc1ccc(OC)c(Sc2ncccc2C(=O)NCC2CC2)c1	ZINC000039263193	EG	Annotated	Anodyne	 
Cc1ccc(Oc2ncccc2C(=O)N(C)CCCN(C)C)cc1	ZINC000039264166	EG	Annotated	Anodyne	 
Cc1ccccc1-c1c(N)c(C(=O)c2ccc(F)cc2F)cc[n+]1[O-]	ZINC000039298649	EG	Annotated	Anodyne	in-vitro
C[C@@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O	ZINC000039350686	EG	Annotated	Clean	 
C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@H](O)C1)OC3=O	ZINC000039350757	EG	Annotated	Mild	 
C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O	ZINC000039350759	EG	Annotated	Mild	 
C=C1CC[C@@H]2CCC3=C(C2(C)C)[C@](O)(C/C(C)=C/[C@@H](O)C1)OC3=O	ZINC000039350763	EG	Annotated	Mild	
COCc1noc(-c2ccc(NCc3cnc4ccccc4c3)nc2)n1	ZINC000039358188	EG	Annotated	Anodyne	 
Cc1cc(CNc2cc([C@@H]3CCCNC3)ncn2)c(C(F)(F)F)o1	ZINC000039358435	EG	Annotated	Anodyne	 
Cc1cc(CNc2cc([C@H]3CCCNC3)ncn2)c(C(F)(F)F)o1	ZINC000039358436	EG	Annotated	Anodyne	 
CC[C@@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24	ZINC000039372699	EG	Annotated	Anodyne	
CC[C@H]1C[C@@H]2CC(C(=O)OC)=C3Nc4ccccc4[C@]34CCN(C1)[C@H]24	ZINC000039372701	EG	Annotated	Anodyne	
C[C@@H]1C[C@H]2OC(=O)C3=C2[C@@H](CCC3)[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000039386794	EG	Annotated	Anodyne	
O=c1n(-c2ccc(Br)cc2)c(=S)n2n1CCCCC2	ZINC000039417798	EG	Annotated	Anodyne	 
Oc1ccccc1CNc1ncccc1I	ZINC000390816939	EG	Annotated	Clean	 
COc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC	ZINC000392268824	EG	Annotated	Anodyne	 
O=C(O)c1cc(Br)cc2nc(-c3cncc(F)c3)[nH]c12	ZINC000394394539	EG	Annotated	Anodyne	 
COc1ccc2c(c1)O[C@@H](OC)[C@H]1c3cc4c(cc3O[C@@H]21)OCO4	ZINC000039560292	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H](OC(C)(C)C)C1	ZINC000039927559	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H](OC(C)(C)C)C1	ZINC000039927560	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H](OC(C)(C)C)C1	ZINC000039927561	EG	Annotated	Anodyne	 
CC(=N)[C@@H](C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1	ZINC000004013629	EG	Annotated	Mild	
CC(=N)[C@H](C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1	ZINC000004013633	EG	Annotated	Mild	
CSc1nc(Cl)c(C#N)c(Nc2ccc3c(c2)OCCO3)n1	ZINC000004030162	EG	Annotated	Mild	
CC1=C(C(=O)N2CCc3ccccc32)C2(CCC(C)CC2)OC1=O	ZINC000004035510	EG	Annotated	Anodyne	 
COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)cc1C	ZINC000004035575	EG	Annotated	Anodyne	 
CCOc1ccccc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C	ZINC000004053639	EG	Annotated	Anodyne	
CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C	ZINC000004053640	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N(C)C)cc1	ZINC000004053653	EG	Annotated	Anodyne	
CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1	ZINC000004053654	EG	Annotated	Anodyne	
N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	ZINC000004055588	EG	Annotated	Mild	
N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	ZINC000004055589	EG	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccoc1	ZINC000004055590	EG	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccoc1	ZINC000004055591	EG	Annotated	Mild	
Cc1cc(N2CCN(c3ccccc3F)CC2)[nH]c2cc(=O)ccc1-2	ZINC000004057415	EG	Annotated	Anodyne	 
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2CC(=O)N(C)c1ccccc1	ZINC000004058062	EG	Annotated	Anodyne	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2CC(=O)N(C)c1ccccc1	ZINC000004058063	EG	Annotated	Anodyne	
CCOC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1	ZINC000004092757	EG	Annotated	Anodyne	
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000004097024	EG	Annotated	Mild	in-vitro
C/C=C1\[C@@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000004097859	EG	Annotated	Anodyne	in-vitro
CCn1c(=O)cc(OCC(=O)N(C)C2CCCCC2)c2ccccc21	ZINC000004101170	EG	Annotated	Anodyne	 
CCc1ccccc1N(C(=O)c1cccs1)[C@H]1C=CS(=O)(=O)C1	ZINC000004101185	EG	Annotated	Anodyne	 
CCc1ccccc1N(C(=O)c1cccs1)[C@@H]1C=CS(=O)(=O)C1	ZINC000004101186	EG	Annotated	Anodyne	 
CCOC(=O)NCCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C	ZINC000004101933	EG	Annotated	Anodyne	
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O	ZINC000004102236	EG	Annotated	Mild	in-vitro
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000004102244	EG	Annotated	Mild	in-vitro
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C=O	ZINC000004102271	EG	Annotated	Mild	in-vitro
CNCC[C@]1(c2ccc(OC)c(OC)c2)CCc2ncccc2C1	ZINC000004102441	EG	Annotated	Anodyne	in-vitro
CC[C@@H]1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21	ZINC000004111434	EG	Annotated	Anodyne	
CC[C@H]1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21	ZINC000004111435	EG	Annotated	Anodyne	
CCn1cnc2sc(C(=O)Oc3cccc(C)c3)c(C)c2c1=O	ZINC000004117989	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)cc1OC	ZINC000004118919	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)cc1OC	ZINC000004118920	EG	Annotated	Anodyne	 
N#CC1=C2S[C@H]3CCCC[C@]3(O)N2C(=O)[C@@H](C#N)C12CCCCC2	ZINC000004125512	EG	Annotated	Reactive	 
CN(C1=C(Cl)C(=O)O[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000004133147	EG	Annotated	Anodyne	 
CN(C1=C(Cl)C(=O)O[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000004133150	EG	Annotated	Anodyne	 
C=C(C)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCC2	ZINC000004144449	EG	Annotated	Mild	
CC1=Nc2nnnn2[C@H](c2ccccc2)/C1=C(\O)OC1CCCCC1	ZINC000004148445	EG	Annotated	Anodyne	
C=CCSc1nc2nc3c(cc2c(=O)n1CC=C)CC(C)(C)OC3	ZINC000004163345	EG	Annotated	Mild	
CCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c2c1	ZINC000004169860	EG	Annotated	Anodyne	 
COc1ccccc1[C@@H]1NCc2ccc3c(c2-n2cccc21)OCO3	ZINC000004191257	EG	Annotated	Anodyne	 
CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1csc(C)n1	ZINC000004198723	EG	Annotated	Anodyne	 
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@@H](Cc1ccccc1)O3	ZINC000004198934	EG	Annotated	Mild	 
N#CC1(C#N)[C@H]2CCCC[C@]23OC(=N)[C@@]1(C#N)[C@H](Cc1ccccc1)O3	ZINC000004198935	EG	Annotated	Mild	 
CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)N(C)C	ZINC000004204541	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)N(C)C	ZINC000004204542	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N(C)C	ZINC000004205003	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N(C)C	ZINC000004205004	EG	Annotated	Anodyne	
N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	ZINC000004207537	EG	Annotated	Mild	
N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	ZINC000004207538	EG	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1	ZINC000004207539	EG	Annotated	Mild	
N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1	ZINC000004207540	EG	Annotated	Mild	
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213278	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213279	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213281	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](C)CN(C)C	ZINC000004213282	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC	ZINC000004213364	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)CC	ZINC000004213370	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC	ZINC000004213373	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)CC	ZINC000004213374	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCOC	ZINC000004214595	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCOC	ZINC000004214597	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCOC	ZINC000004214599	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCOC	ZINC000004214602	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@H](CO)Cc1ccccc1	ZINC000004215861	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@]1(C)C(=O)N[C@H](CO)Cc1ccccc1	ZINC000004215864	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@@]1(C)C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000004215867	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@]1(C)C(=O)N[C@@H](CO)Cc1ccccc1	ZINC000004215868	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1	ZINC000004216494	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N1CCOCC1	ZINC000004216495	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1	ZINC000004216497	EG	Annotated	Anodyne	
CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N1CCOCC1	ZINC000004216499	EG	Annotated	Anodyne	
Cc1noc(C)c1C(=O)N1CCC2(CCCN(CC(C)C)C2)CC1	ZINC000004238035	EG	Annotated	Anodyne	 
COC(=O)N1CCC2(CCCN(Cc3ccc(C#N)cc3)C2)CC1	ZINC000004238101	EG	Annotated	Mild	 
O=C(c1ccco1)N1CCC2(CCCN(c3ccncc3)C2)CC1	ZINC000004238158	EG	Annotated	Anodyne	 
O=c1cnc2cnc(Oc3ccccc3)nc2n1Cc1cccs1	ZINC000004238259	EG	Annotated	Anodyne	 
O=c1cnc2cnc(Oc3ccccc3)nc2n1Cc1ccc(F)cc1	ZINC000004238273	EG	Annotated	Anodyne	 
CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C3CC3)c2n1	ZINC000004238310	EG	Annotated	Anodyne	 
O=c1c(-c2ccccc2)nc2cncnc2n1Cc1ccc(F)cc1	ZINC000004238420	EG	Annotated	Anodyne	 
Cn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccccc3)nc21	ZINC000004238452	EG	Annotated	Anodyne	 
O=c1cnc2cnc(Oc3ccccc3)nc2n1CCc1ccccc1	ZINC000004238475	EG	Annotated	Anodyne	 
O=c1c(-c2cccc(F)c2)nc2cncnc2n1Cc1ccccc1	ZINC000004238524	EG	Annotated	Anodyne	 
Cc1nc2cnc(Oc3ccccc3)nc2n(-c2ccccc2)c1=O	ZINC000004238526	EG	Annotated	Anodyne	 
O=c1cnc2cnc(Nc3ccccc3)nc2n1Cc1cccs1	ZINC000004238558	EG	Annotated	Anodyne	 
CCNc1ncc2nc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1	ZINC000004238694	EG	Annotated	Anodyne	 
O=c1c(CCc2ccccc2)nc2cncnc2n1Cc1ccccc1	ZINC000004238839	EG	Annotated	Anodyne	 
O=c1c(-c2cccs2)nc2cncnc2n1Cc1ccc(F)cc1	ZINC000004238842	EG	Annotated	Anodyne	 
Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(C2CC2)c1=O	ZINC000004238857	EG	Annotated	Anodyne	 
O=c1c(-c2ccc(F)cc2)nc2cncnc2n1Cc1ccccc1	ZINC000004238895	EG	Annotated	Anodyne	 
CN(C)C(=O)c1ccc(-c2cc(N(C)Cc3ccco3)ncn2)cc1	ZINC000004239308	EG	Annotated	Anodyne	 
CN(C)C(=O)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1	ZINC000004239357	EG	Annotated	Anodyne	 
CCCCC1CCC(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])CC1	ZINC000004248328	EG	Annotated	Bother	 
COc1ccc(CCC(=O)NCCc2cn3c(C)csc3n2)cc1	ZINC000004248540	EG	Annotated	Anodyne	 
CS(=O)(=O)Nc1cccc(-c2cc(Nc3ccccc3)ncn2)c1	ZINC000004257413	EG	Annotated	Anodyne	 
O=C(Nc1nnc(-c2ccco2)o1)c1ccc(Br)s1	ZINC000004264596	EG	Annotated	Anodyne	 
CN(C)C(=O)c1ccc(-c2nccc(N(C)Cc3ccco3)n2)cc1	ZINC000004264838	EG	Annotated	Anodyne	 
N#Cc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1	ZINC000004265808	EG	Annotated	Mild	 
CCCCCCC1=NOC[C@@]1(C)C(=O)NC[C@H](O)c1ccccc1	ZINC000004295374	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@]1(C)C(=O)NC[C@H](O)c1ccccc1	ZINC000004295378	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@@]1(C)C(=O)NC[C@@H](O)c1ccccc1	ZINC000004295382	EG	Annotated	Anodyne	
CCCCCCC1=NOC[C@]1(C)C(=O)NC[C@@H](O)c1ccccc1	ZINC000004295389	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(C(F)(F)F)NC(C(F)(F)F)=Nc2ccccc21	ZINC000004320624	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C(F)(F)F)NC(C(F)(F)F)=Nc2ccccc21	ZINC000004320625	EG	Annotated	Anodyne	 
CCOC(=O)c1oc2cc(O)cc(C)c2c(=O)c1-c1cscn1	ZINC000004339384	EG	Annotated	Anodyne	 
CCc1nn2c(N3CCOCC3)cc(C)nc2c1-c1ccc(F)cc1	ZINC000004355746	EG	Annotated	Anodyne	
Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1	ZINC000004375078	EG	Annotated	Anodyne	
O=C(O)C[C@@H]1S/C(=N/N=C2CCCCC2)N(c2ccccc2)C1=O	ZINC000004380607	EG	Annotated	Mild	 
O=C(O)C[C@H]1S/C(=N/N=C2CCCCC2)N(c2ccccc2)C1=O	ZINC000004380608	EG	Annotated	Mild	 
Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(N2CCOCC2)c1C	ZINC000004388428	EG	Annotated	Anodyne	
CCc1ccccc1NC(=O)N1[C@H]2CCC[C@@H]1CC(NC(C)=O)C2	ZINC000004399934	EG	Annotated	Anodyne	 
C=CCNc1nnc(SCC(=O)N2CCCCC2)c2ccccc12	ZINC000004400334	EG	Annotated	Mild	
CCC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](C)C2)c(Cl)c1	ZINC000004400508	EG	Annotated	Anodyne	
CCC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c(Cl)c1	ZINC000004400509	EG	Annotated	Anodyne	
O=C(NCc1nnc(SC/C=C/c2ccccc2)o1)c1ccco1	ZINC000004436243	EG	Annotated	Anodyne	 
Cc1nc2c(C(=O)NCCC3=CCCCC3)cnn2c(O)c1Cl	ZINC000004437678	EG	Annotated	Clean	 
CC(C)(C)C(=O)NCCc1csc2nc(-c3ccc(F)cc3)nn12	ZINC000004478862	EG	Annotated	Anodyne	
Cc1ccc(SCc2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)cc1	ZINC000004487051	EG	Annotated	Anodyne	
C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1	ZINC000040375235	EG	Annotated	Reactive	
C[C@H](NC1=NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccc(Cl)cc1	ZINC000040379422	EG	Annotated	Anodyne	
C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccc(Cl)cc1	ZINC000040379423	EG	Annotated	Anodyne	
Cc1cc2nc3c4cc(N)ccc4n(CCN(C)C)c3nc2cc1C	ZINC000040379537	EG	Annotated	Bother	
COc1cc([C@@H]2c3cc(O)c(OC)cc3C[C@H]3COC[C@H]32)ccc1O	ZINC000040380246	EG	Annotated	Anodyne	
CC(=O)NCCSC(=O)/C=C/c1ccc(OCC=C(C)C)cc1	ZINC000040380627	EG	Annotated	Mild	
CC(C)(C)NC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1	ZINC000040391445	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccc(F)cc3)nn2)CC1	ZINC000040392784	EG	Annotated	Anodyne	
Cc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CC(C)(C)C2	ZINC000040393955	EG	Annotated	Clean	
C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O	ZINC000040394769	EG	Annotated	Mild	in-vitro biogenic
C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)C[C@H]12	ZINC000040394868	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13CC(=O)[C@@](CO)(CC[C@@H]21)C3	ZINC000040394894	EG	Annotated	Anodyne	
COc1cc(CO)c(-c2cc3cc(C)ccc3c(=O)[nH]2)cc1OC	ZINC000040401332	EG	Annotated	Anodyne	
CO[C@]12C=C(Br)[C@H](C[C@H]1c1cccc(C)c1)[C@]1(CO1)C2=O	ZINC000040402175	EG	Annotated	Anodyne	
CO[C@]12C=C(Br)[C@H](C[C@@H]1c1cccc(C)c1)[C@]1(CO1)C2=O	ZINC000040402178	EG	Annotated	Anodyne	
O=C(O)c1ccccc1-c1nc2ccccc2n1C(=O)c1cccnc1	ZINC000040402524	EG	Annotated	Anodyne	
Cc1ccnc(N2C(=O)CS[C@H]2C23CC4CC(CC(C4)C2)C3)n1	ZINC000040402664	EG	Annotated	Anodyne	
Cc1ccnc(N2C(=O)CS[C@@H]2C23CC4CC(CC(C4)C2)C3)n1	ZINC000040402667	EG	Annotated	Anodyne	
COc1ccc2nc(Nc3nc(=O)c4cc(C)ccc4[nH]3)nc(C)c2c1	ZINC000040402712	EG	Annotated	Anodyne	
COc1ccc(N[C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1	ZINC000040402791	EG	Annotated	Mild	
COc1ccc(N[C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)cc1	ZINC000040402794	EG	Annotated	Mild	
CC(=O)NC1=C(c2ccccc2Cl)C(=O)c2ccccc2C1=O	ZINC000040403387	EG	Annotated	Mild	
O=c1cnnc2n1-c1ccc(Oc3ccc(Cl)cc3)cc1CC2	ZINC000040405188	EG	Annotated	Anodyne	
CCCCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1	ZINC000040406034	EG	Annotated	Anodyne	
CCCCSc1nnc(CSc2nc3nc(C)ccn3n2)o1	ZINC000040407812	EG	Annotated	Anodyne	
CCCCCN(C)CCc1cnc(N2CCN(CCC)CC2)s1	ZINC000040408670	EG	Annotated	Anodyne	
O=C(/C=C/c1cccs1)c1ccc(O)c(CN2CCOCC2)c1	ZINC000040408735	EG	Annotated	Mild	 
CCC[C@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O	ZINC000040409339	EG	Annotated	Anodyne	
CCC[C@@]1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O	ZINC000040409343	EG	Annotated	Anodyne	
CCNc1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccccc1	ZINC000040410982	EG	Annotated	Anodyne	
COc1cc2c(c3c1CC[C@@](C)(CC(=O)C=C(C)C)O3)COC2=O	ZINC000040411097	EG	Annotated	Mild	
COc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)COC2=O	ZINC000040411100	EG	Annotated	Mild	
O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Br	ZINC000040411795	EG	Annotated	Reactive	
O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Br	ZINC000040411798	EG	Annotated	Reactive	
O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Br	ZINC000040411801	EG	Annotated	Reactive	
O=C1CS[C@@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Br	ZINC000040411802	EG	Annotated	Reactive	
Cc1cc(C)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1	ZINC000040413603	EG	Annotated	Anodyne	
Cc1cc(C)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OCO4)c1	ZINC000040413606	EG	Annotated	Anodyne	
C[N+]1(C)[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)COC3)OCO4	ZINC000040414072	EG	Annotated	Bother	
COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(C)ccc32)c1	ZINC000040420396	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(C)ccc32)c1	ZINC000040420398	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3	ZINC000040420831	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3	ZINC000040420833	EG	Annotated	Anodyne	
C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)C[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]1(C)C(=O)O	ZINC000040422693	EG	Annotated	Anodyne	
CN1CCO[C@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1	ZINC000040423151	EG	Annotated	Anodyne	in-vitro
CN1CCO[C@@](O)(c2ccc(-c3ccc(Br)cc3)cc2)C1	ZINC000040423152	EG	Annotated	Anodyne	in-vitro
NC(=S)Nc1cccc(OCCCCCOc2ccccn2)c1	ZINC000040423421	EG	Annotated	Anodyne	
CCSC(=S)SCC(=O)c1ccc(CCNC(C)=O)cc1	ZINC000040423571	EG	Annotated	Anodyne	
CCCCCN1C(=O)/C(=N\NC(=O)C(C)(C)C)c2ccc(OC)cc21	ZINC000040424514	EG	Annotated	Reactive	
CCC[C@H]1OC(=O)[C@]2(S(=O)(=O)c3ccccc3)CCC=CC[C@H]12	ZINC000040424550	EG	Annotated	Anodyne	
O=C1CC[C@@H](CCCC[C@@H]2CC(C(=O)OCc3ccccc3)=NO2)O1	ZINC000040428738	EG	Annotated	Anodyne	
O=C1CC[C@@H](CCCC[C@H]2CC(C(=O)OCc3ccccc3)=NO2)O1	ZINC000040428739	EG	Annotated	Anodyne	
O=C1CC[C@H](CCCC[C@@H]2CC(C(=O)OCc3ccccc3)=NO2)O1	ZINC000040428740	EG	Annotated	Anodyne	
O=C1CC[C@H](CCCC[C@H]2CC(C(=O)OCc3ccccc3)=NO2)O1	ZINC000040428741	EG	Annotated	Anodyne	
O=C(O)C(=O)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1	ZINC000040428876	EG	Annotated	Anodyne	
O=C(O)C(=O)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1	ZINC000040428878	EG	Annotated	Anodyne	
Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1	ZINC000040429189	EG	Annotated	Anodyne	
CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(C)cc2)c1N	ZINC000040429239	EG	Annotated	Anodyne	
CCCCCCNC(=O)c1cc(CCCC[C@@H]2CCC(=O)O2)on1	ZINC000040430099	EG	Annotated	Anodyne	
CCCCCCNC(=O)c1cc(CCCC[C@H]2CCC(=O)O2)on1	ZINC000040430101	EG	Annotated	Anodyne	
CN(Cc1cccnc1)c1ccc2ncc(-c3ccc(C#N)cc3)n2n1	ZINC000040430125	EG	Annotated	Mild	
Cc1nc2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C	ZINC000040431163	EG	Annotated	Anodyne	
CCCCCN1C(=O)/C(=N\NC(=O)CC(C)C)c2ccc(OC)cc21	ZINC000040431349	EG	Annotated	Reactive	
C[C@@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000040465556	EG	Annotated	Clean	
C[C@H]1CC[C@@](C)(/N=N/c2ccccc2)c2ncc(C(=O)O)c(=O)n21	ZINC000040465561	EG	Annotated	Clean	
C=C(c1c(C)ccc(C)c1OC[C@H](O)CNC(C)(C)C)n1ccnc1	ZINC000040467001	EG	Annotated	Anodyne	
C=C(c1c(C)ccc(C)c1OC[C@@H](O)CNC(C)(C)C)n1ccnc1	ZINC000040467002	EG	Annotated	Anodyne	
CC(C)/C=C/C(=O)[C@H](C)CCC[C@]1(C)CO[C@H](CC(=O)O)CO1	ZINC000040492136	EG	Annotated	Mild	 
CC(C)/C=C/C(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CC(=O)O)CO1	ZINC000040492139	EG	Annotated	Mild	 
O=[N+]([O-])c1cnc2[nH]c(-c3cc(F)cc(Br)c3)nc2c1	ZINC000400268140	EG	Annotated	Anodyne	 
O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Br)cc3F)nc2c1	ZINC000400295919	EG	Annotated	Anodyne	 
Cc1nc2[nH]c(CC(C)(C)CC(=O)O)nc2cc1Br	ZINC000404502430	EG	Annotated	Anodyne	 
Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)c(/N=C/C(=O)O)c12	ZINC000040504125	EG	Annotated	Mild	
CN1CCN2c3ccc(Cl)c(-c4ccccc4)c3CNC[C@@H]2C1	ZINC000040525998	EG	Annotated	Anodyne	
N#CC1=C(N)[C@@H]2[C@@H](c3ccccc3)c3ccc(O)cc3O[C@@H]2CC1=N	ZINC000040533272	EG	Annotated	Reactive	
CCN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccn2)OC1=O	ZINC000040556678	EG	Annotated	Anodyne	
CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)c(F)c2)OC1=O	ZINC000040564602	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000040564898	EG	Annotated	Mild	
C/C(=N\NC(=S)Nc1ncc(C2CCC2)o1)c1ccc(O)cc1	ZINC000040564969	EG	Annotated	Mild	
CN1CC[C@@H](CN(Cc2ccccc2)Cc2cccc(C#N)c2)OC1=O	ZINC000040565124	EG	Annotated	Mild	
CCNC(=O)N(c1ccc(OC)cc1)c1ccnc(NC(C)C)n1	ZINC000040565905	EG	Annotated	Anodyne	
COc1ccc(CCn2cc(C(=O)c3ccc(C)c(C)c3)nn2)cc1	ZINC000040567001	EG	Annotated	Anodyne	
NC(=S)N/N=C1/CCC[C@@H](c2ccc(Br)cc2)C1	ZINC000040567050	EG	Annotated	Mild	
NC(=S)N/N=C1/CCC[C@H](c2ccc(Br)cc2)C1	ZINC000040567051	EG	Annotated	Mild	
CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1ccncc1)CCC2	ZINC000040568590	EG	Annotated	Mild	
CCc1c(C)[nH]c2c1/C(=N/OC(=O)NCCc1cccnc1)CCC2	ZINC000040575921	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)CC(=O)C[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000040576940	EG	Annotated	Mild	
CNC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1csnn1	ZINC000040577030	EG	Annotated	Anodyne	
CNC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1csnn1	ZINC000040577032	EG	Annotated	Anodyne	
O=C(O)c1cnn(-c2ccc(COCc3ccc(Cl)cc3)cn2)c1	ZINC000040584334	EG	Annotated	Anodyne	
O=C(O)c1cnn(-c2ccc(COCc3cccc(Cl)c3)cn2)c1	ZINC000040584336	EG	Annotated	Anodyne	
COc1ccc(Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)cc1Cl	ZINC000040585035	EG	Annotated	Bother	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1	ZINC000040587743	EG	Annotated	Reactive	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1	ZINC000040587744	EG	Annotated	Reactive	
O=S(=O)(N[C@@H]1[C@H]2CCCC[C@]1(CO)CC2)c1ccc(Cl)s1	ZINC000040614202	EG	Annotated	Anodyne	
CCN(CC)/C(=N\C#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21	ZINC000040617208	EG	Annotated	Mild	
COc1ccc(-c2c(-c3ccc(F)cc3)nc3n2CC[S@]3=O)cc1	ZINC000040631396	EG	Annotated	Anodyne	
COc1ccc(-c2c(-c3ccc(F)cc3)nc3n2CC[S@@]3=O)cc1	ZINC000040631398	EG	Annotated	Anodyne	
O=C(O)c1cn2c(n1)N=[S@](=O)(c1ccccc1)c1ccccc1-2	ZINC000040632204	EG	Annotated	Anodyne	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@@H]1CC(C)(C)NC1(C)C	ZINC000040640993	EG	Annotated	Anodyne	
Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@@H]1CC(C)(C)NC1(C)C	ZINC000040640997	EG	Annotated	Anodyne	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H]1CC(C)(C)NC1(C)C	ZINC000040641000	EG	Annotated	Anodyne	
Cc1cccc(C)c1OC[C@H](C)NC(=O)[C@H]1CC(C)(C)NC1(C)C	ZINC000040641003	EG	Annotated	Anodyne	
C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1	ZINC000040676613	EG	Annotated	Reactive	
COc1cc(/C=C2\C(=O)ON=C2c2cccs2)ccc1OC(C)=O	ZINC000040685497	EG	Annotated	Mild	
CCN1CCN[C@H](c2ccc(O)cc2F)[C@@H]1c1ccc(O)cc1F	ZINC000040685868	EG	Annotated	Anodyne	
Cc1ccc([C@H](O)[C@@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1	ZINC000040709793	EG	Annotated	Anodyne	
CC(=O)ON(/C=C\C(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1	ZINC000040712352	EG	Annotated	Mild	
CC1=C(C#N)C(C2=CC=CN(C(=O)OC(C)(C)C)C2)C(C#N)=C(C)N1	ZINC000040720204	EG	Annotated	Reactive	
CN1CCN(Cc2ccc(Cl)cc2Cl)[C@H](c2ncc[nH]2)C1	ZINC000040724099	EG	Annotated	Anodyne	 
O=C(O)c1cnn(-c2ccc(COCc3ccccc3Cl)cn2)c1	ZINC000040753221	EG	Annotated	Anodyne	
Clc1ccc(Cl)c(-c2ccnc(N3CC[C@H]4CNC[C@H]43)n2)c1	ZINC000040762579	EG	Annotated	Anodyne	
CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccccc2C#N)OC1=O	ZINC000040762855	EG	Annotated	Mild	
Oc1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)nn1	ZINC000040763201	EG	Annotated	Anodyne	
CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2)OC1=O	ZINC000040763395	EG	Annotated	Anodyne	
N=C(NO)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cc3)cc2)o1	ZINC000040763480	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12	ZINC000040764413	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CC)=C/C[C@H]12	ZINC000040764414	EG	Annotated	Mild	
Cc1cccc(C)c1OC[C@@H](C)NC(=O)C1=CC(C)(C)NC1(C)C	ZINC000040801172	EG	Annotated	Anodyne	
Cc1cccc(C)c1OC[C@H](C)NC(=O)C1=CC(C)(C)NC1(C)C	ZINC000040801176	EG	Annotated	Anodyne	
O=C1CCC(c2ccc(NCc3ccnc4ccccc34)cc2)=NN1	ZINC000040801555	EG	Annotated	Anodyne	
COc1c(O)ccc2c1-c1c(OC)c(O)cc3c1[C@H](C2)[N+](C)(C)CC3	ZINC000040802035	EG	Annotated	Bother	
CN1C[C@@H](CN(Cc2ccccc2)Cc2ccc(F)cc2F)OC1=O	ZINC000040812388	EG	Annotated	Anodyne	
COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])c(Cl)cc3n(C)c2c1	ZINC000040812616	EG	Annotated	Bother	
O=S1(=O)C=C(OCc2ccccc2)[C@]2(CCc3ccccc3C2)O1	ZINC000040828935	EG	Annotated	Mild	
O=S1(=O)C=C(OCc2ccccc2)[C@@]2(CCc3ccccc3C2)O1	ZINC000040828937	EG	Annotated	Mild	
COc1ccc(/C=N/NC(=S)Nc2ncc(C3CCC3)o2)cc1	ZINC000040829486	EG	Annotated	Mild	
N#Cc1cnn(-c2ncnc3sc4c(c23)-c2ccccc2CC4)c1N	ZINC000040829621	EG	Annotated	Mild	
CC/C=C\C[C@@H]1C(=O)C(I)=C[C@@H]1CC(=O)OC	ZINC000040834055	EG	Annotated	Mild	
O=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Br)cc1	ZINC000040834423	EG	Annotated	Anodyne	
CCCCn1nc(C(=O)c2cc(Cl)ccc2N)cc1C(=O)OCC	ZINC000040834443	EG	Annotated	Anodyne	
COc1ccc2c(c1)O[C@@H]1CC(=N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1	ZINC000040834482	EG	Annotated	Reactive	
COc1ccc2c(c1)O[C@H]1CC(=N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1	ZINC000040834484	EG	Annotated	Reactive	
CC(=O)N1CCC(Oc2cc3cnccc3cc2Br)CC1	ZINC000040834699	EG	Annotated	Anodyne	
C=CC(C)(C)c1c(O)c(/C=C/C(=O)O)c2c(c1O)C(=O)CC(C)(C)O2	ZINC000040836111	EG	Annotated	Mild	
Cc1ccc(-c2c(C#N)[n+]([O-])c3cc(Cl)c(Cl)cc3[n+]2[O-])cc1	ZINC000040845079	EG	Annotated	Mild	
CC(C)(C)c1cc2c(N/N=C\c3cccc(CN)n3)ncnc2s1	ZINC000040845154	EG	Annotated	Mild	
Cc1ccsc1/C=C/C(=O)c1ccc(O)c(CN2CCOCC2)c1	ZINC000040845464	EG	Annotated	Mild	 
O=C1OCC2=C1[C@H](c1cc(F)cc(F)c1)c1cc3c(cc1N2)OCO3	ZINC000040845896	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cc(F)cc(F)c1)c1cc3c(cc1N2)OCO3	ZINC000040845898	EG	Annotated	Anodyne	
C[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1	ZINC000040846290	EG	Annotated	Mild	
C[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OCc1ccccc1	ZINC000040846292	EG	Annotated	Mild	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13[C@H](O)O[C@@H]4OC(=O)[C@H](CC[C@H]21)[C@@H]43	ZINC000040846638	EG	Annotated	Anodyne	
Nc1nccc(-c2ccc3nc([C@@H]4COc5ccccc5C4)[nH]c3c2)n1	ZINC000040847209	EG	Annotated	Anodyne	
Nc1nccc(-c2ccc3nc([C@H]4COc5ccccc5C4)[nH]c3c2)n1	ZINC000040847211	EG	Annotated	Anodyne	
COc1cc(CO)c(Oc2cc(C)cc(OC)c2C(=O)O)c(OC)c1	ZINC000040847575	EG	Annotated	Anodyne	
C/C1=C\C=C(\[C@@](C)(O)CO)CC/C(C=O)=C/CC[C@]2(C)O[C@H]2CC1	ZINC000040847639	EG	Annotated	Reactive	 
CCc1c(CC2=CC2)c(OC)nc2nc(C(=O)c3ccccc3)cn12	ZINC000040847883	EG	Annotated	Anodyne	
C[C@H](NC1=NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccccc1Cl	ZINC000040848953	EG	Annotated	Anodyne	
C[C@H](NC1=NC(=O)[C@](C)(C(C)(C)O)S1)c1ccccc1Cl	ZINC000040848955	EG	Annotated	Anodyne	
O=C(Oc1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000040860109	EG	Annotated	Bother	
S=C(N1CCCC1)N1CCC(c2cccc(Br)c2)=N1	ZINC000040861092	EG	Annotated	Anodyne	
CC(C)(C)CC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1	ZINC000040861278	EG	Annotated	Anodyne	
COc1cc2[nH]c3c(=O)[nH]cc(-c4ccc(O)cc4)c3c2cc1OC	ZINC000040861937	EG	Annotated	Anodyne	
CC(C)(C)c1cc2c(N/N=C\c3cccc(CO)n3)ncnc2s1	ZINC000040862081	EG	Annotated	Mild	
COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@H]4C[C@]3(CC[C@H]12)C[C@]4(O)CO	ZINC000040862570	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC=C(c2cn(-c3cccc(F)c3)nn2)CC1	ZINC000040863121	EG	Annotated	Anodyne	
C[C@H](NC1=NC(=O)[C@@](C)(C2(O)CCCC2)S1)c1ccc(F)cc1	ZINC000040863450	EG	Annotated	Anodyne	
C[C@H](NC1=NC(=O)[C@](C)(C2(O)CCCC2)S1)c1ccc(F)cc1	ZINC000040863453	EG	Annotated	Anodyne	
COC1=C[C@@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@H]2C=C1)OCO4	ZINC000040864975	EG	Annotated	Anodyne	 
COC1=C[C@H]2C=Cc3c(CCN(C)O)cc4c(c3[C@H]2C=C1)OCO4	ZINC000040864978	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3)nn2)CC1	ZINC000040866263	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC=C(c2cn(-c3ccccc3F)nn2)CC1	ZINC000040866265	EG	Annotated	Anodyne	
CO[C@]12C[C@@H]3C=C(CSC(C)=O)CC[C@H]3C(C)(C)C1=CC(=O)O2	ZINC000040866462	EG	Annotated	Anodyne	
CN(C)C(=O)c1cc2cc([C@]3(Cc4ccccc4)CCNC3)ccc2[nH]1	ZINC000040866668	EG	Annotated	Anodyne	
CN(C)C(=O)c1cc2cc([C@@]3(Cc4ccccc4)CCNC3)ccc2[nH]1	ZINC000040866670	EG	Annotated	Anodyne	
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1	ZINC000040867043	EG	Annotated	Mild	
CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)cc1	ZINC000040872300	EG	Annotated	Anodyne	
CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)cc1	ZINC000040872302	EG	Annotated	Anodyne	
CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)cc1	ZINC000040872304	EG	Annotated	Anodyne	
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)cc1	ZINC000040872306	EG	Annotated	Anodyne	
CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	ZINC000040872308	EG	Annotated	Clean	
CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1	ZINC000040872310	EG	Annotated	Clean	
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1	ZINC000040872312	EG	Annotated	Clean	
CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43	ZINC000040873083	EG	Annotated	Anodyne	
O=C(O)CN(C(=O)c1ccccc1O)c1cc(Cl)cc(Cl)c1	ZINC000040873503	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13CC(=O)[C@](C)(C1)[C@H](O)C[C@@H]23	ZINC000040873538	EG	Annotated	Anodyne	
C=C1[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1C/C=C1/CCOC1=O	ZINC000040875125	EG	Annotated	Mild	
COc1cc(CO)c(-c2cc3ccc(C)cc3c(=O)[nH]2)cc1OC	ZINC000040875231	EG	Annotated	Anodyne	
NCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2	ZINC000040875433	EG	Annotated	Anodyne	
CCN(CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040877085	EG	Annotated	Bother	
CCSc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O	ZINC000040877118	EG	Annotated	Anodyne	
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1ccccc1OCC3	ZINC000040877135	EG	Annotated	Anodyne	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@H]1O	ZINC000040880459	EG	Annotated	Mild	
COc1cc2c3c(cc4cc5c(cc4c3c1OC)OCO5)N(C)C2=O	ZINC000040880508	EG	Annotated	Bother	
COc1ccc(OC)c(Nc2nc(-c3ccccn3)ncc2OC)c1	ZINC000040891838	EG	Annotated	Anodyne	
Nc1ccccc1C#C/C=C\C#CC#C/C=C\C#Cc1ccccc1N	ZINC000040892183	EG	Annotated	Mild	
CC/C=C\C=C/C(=O)N/C=C/C[C@@H]1Cc2cccc(O)c2C(=O)O1	ZINC000040892754	EG	Annotated	Anodyne	
CC/C=C\C=C/C(=O)N/C=C/C[C@H]1Cc2cccc(O)c2C(=O)O1	ZINC000040892757	EG	Annotated	Anodyne	
C[C@H]1C2=CC(=O)O[C@]2(O)C[C@H]2[C@H]1CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C	ZINC000040893119	EG	Annotated	Anodyne	in-vitro biogenic
C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC[C@H]4O[C@@]4(C)CC[C@H]12)C(=O)O3	ZINC000040893319	EG	Annotated	Mild	
O=C1COc2cc(NCc3ccc(Br)cc3)ccc2N1	ZINC000040894056	EG	Annotated	Anodyne	 
C[C@@H]1CC[C@@]23COC(=O)[C@H]2C[C@@H](O)C=C3[C@@]1(C)CCc1ccoc1	ZINC000040894187	EG	Annotated	Anodyne	
CNS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1	ZINC000040895717	EG	Annotated	Anodyne	
Nc1ccc(OS(=O)(=O)c2ccc3[nH]c4ccncc4c3c2)cc1	ZINC000040896529	EG	Annotated	Clean	
O=c1cnnc2n1-c1ccc(Oc3cccc(Cl)c3)cc1CC2	ZINC000040899461	EG	Annotated	Anodyne	
CCCC(=O)NNc1[nH]c(-c2ccc(C)cc2)cc1C(=O)OCC	ZINC000040900340	EG	Annotated	Reactive	
CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1NNC(=O)C(C)C	ZINC000040900629	EG	Annotated	Reactive	
O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1O2)OCO3	ZINC000040901022	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1O2)OCO3	ZINC000040901025	EG	Annotated	Anodyne	
C[C@]1(C(=O)N=c2[nH]cc[nH]2)CC2c3ccccc3C1c1ccccc12	ZINC000040901102	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2[C@@H]1C/C=C(\CO)CC/C=C(\C)CC/C=C(\C)[C@H]2O	ZINC000040901326	EG	Annotated	Mild	
CNC1=Nc2ncccc2C(c2nccs2)=N[C@@H]1c1cccs1	ZINC000040913395	EG	Annotated	Anodyne	
CNC1=Nc2ncccc2C(c2nccs2)=N[C@H]1c1cccs1	ZINC000040913397	EG	Annotated	Anodyne	
C=CC(=O)NC1=CC=C2N=CN=C(Nc3cccc(C(F)(F)F)c3)[C@@H]21	ZINC000040914226	EG	Annotated	Anodyne	
C=CC(=O)NC1=CC=C2N=CN=C(Nc3cccc(C(F)(F)F)c3)[C@H]21	ZINC000040914227	EG	Annotated	Anodyne	
CC(=O)NC1=C(c2cccc(Cl)c2)C(=O)c2ccccc2C1=O	ZINC000040914375	EG	Annotated	Mild	
O=c1cnnc2n1-c1ccc(Oc3ccccc3Cl)cc1CC2	ZINC000040915097	EG	Annotated	Anodyne	
CC[C@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040915765	EG	Annotated	Bother	
CC[C@@H](O)CNCc1ccc2oc3cc(Cl)ccc3c(=O)c2c1	ZINC000040915767	EG	Annotated	Bother	
OC[C@H]1C[C@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1	ZINC000040915877	EG	Annotated	Mild	
CC(=O)n1c(=O)n(Cc2c(F)cccc2F)c2cc(Cl)ccc21	ZINC000040915994	EG	Annotated	Anodyne	
O=C(/C=C/c1cccs1)c1cccc(O)c1CN1CCOCC1	ZINC000040916345	EG	Annotated	Mild	
C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(CC1=O)C2	ZINC000040916391	EG	Annotated	Anodyne	
CN(C)c1cc(O)cc(OCCCOc2cc(O)cc(N(C)C)c2)c1	ZINC000040917188	EG	Annotated	Anodyne	
CCOc1cc2cn3c(cc-2cc1=O)-c1cc2c(cc1CC3)OCO2	ZINC000040918087	EG	Annotated	Anodyne	 
Cc1ccsc1/C=C/C(=O)c1cccc(O)c1CN1CCOCC1	ZINC000040918602	EG	Annotated	Mild	
CCC1(CC)CC(=O)N(Nc2ccc(Br)cc2)C1=O	ZINC000040918638	EG	Annotated	Anodyne	
CCCCOc1nc(NC)c2ncn(Cc3c(F)cccc3F)c2n1	ZINC000040918643	EG	Annotated	Anodyne	
c1ccc(CO/N=C2\c3ccccc3CC[C@@H]2Cn2cncn2)cc1	ZINC000040918797	EG	Annotated	Mild	
c1ccc(CO/N=C2\c3ccccc3CC[C@H]2Cn2cncn2)cc1	ZINC000040918798	EG	Annotated	Mild	
Nc1cccc(Nc2ncnc3c2ncn3CCc2ccc(O)cc2)c1	ZINC000040919068	EG	Annotated	Anodyne	
CCCC(CCC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1	ZINC000040919117	EG	Annotated	Anodyne	
CC(C)(CO)NCCCOc1cccc2c(=O)c3ccccc3oc12	ZINC000040933029	EG	Annotated	Bother	
C=C[C@]1(C)CC[C@]2(C)[C@@H](C1)C(=O)[C@@H](O)[C@@H]1[C@]3(C)CCC[C@@]12OC3=O	ZINC000040933717	EG	Annotated	Mild	
O=C(Nc1ccc(Oc2cncnc2)nc1)c1c[nH]c2ccccc12	ZINC000040934248	EG	Annotated	Anodyne	
CC[C@H](CC(C)C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1	ZINC000040936050	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@H](c1ccccc1Cl)c1cc3c(cc1N2)OCO3	ZINC000040937295	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1ccccc1Cl)c1cc3c(cc1N2)OCO3	ZINC000040937297	EG	Annotated	Anodyne	
O=S(=O)(Cc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1	ZINC000040937523	EG	Annotated	Anodyne	 
NCc1ccc(-c2cc3ccncc3cc2OC2CCNCC2)cc1	ZINC000040938140	EG	Annotated	Anodyne	
CN(C)c1ccc(N2C(=O)c3ccc(OCCCF)cc3C2=O)cc1	ZINC000040938823	EG	Annotated	Anodyne	
Cc1c(OS(=O)(=O)c2cccc(F)c2)cccc1C1CCNCC1	ZINC000040938859	EG	Annotated	Anodyne	
NCc1cccc(-c2cc3ccncc3cc2OC2CCNCC2)c1	ZINC000040939787	EG	Annotated	Anodyne	
Cc1c(OS(=O)(=O)c2ccccc2)cccc1C1CCNCC1	ZINC000040939809	EG	Annotated	Anodyne	
CNc1ccc(N2C(=O)c3ccc(OCCCF)cc3C2=O)cc1	ZINC000040943026	EG	Annotated	Anodyne	
O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-]	ZINC000040943386	EG	Annotated	Bother	
O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@@H]1[N+](=O)[O-]	ZINC000040943388	EG	Annotated	Bother	
O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-]	ZINC000040943390	EG	Annotated	Bother	
O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1[C@H]1CC[C@@H]1[N+](=O)[O-]	ZINC000040943391	EG	Annotated	Bother	
O=C1NCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3	ZINC000040943484	EG	Annotated	Anodyne	
O=C1NCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3	ZINC000040943486	EG	Annotated	Anodyne	
Nc1n[nH]c2c1S(=O)(=O)c1cc(Cl)ccc1N2c1ccccc1	ZINC000040943534	EG	Annotated	Anodyne	
Cc1nc([N+](=O)[O-])cn1CCOCc1ccc(OC(F)(F)F)cc1	ZINC000040949281	EG	Annotated	Bother	
O=c1[nH]c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]1	ZINC000040949951	EG	Annotated	Anodyne	
CCC[C@@H]1O[C@H](CC(=O)OCC)CC2=C1C(=O)c1ccccc1C2=O	ZINC000040950553	EG	Annotated	Mild	
O=C1N=C(NC2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1	ZINC000040951254	EG	Annotated	Anodyne	
Oc1c(-c2nc(Cc3cccc(Cl)c3)n[nH]2)ncc2cccnc12	ZINC000040951855	EG	Annotated	Anodyne	
O=c1c2cccc(/C=N\Nc3ccccn3)c2oc2cc(O)cc(O)c12	ZINC000040952520	EG	Annotated	Mild	
O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2	ZINC000040953279	EG	Annotated	Reactive	
O=c1c2ccc(/C=N/Nc3ccccn3)cc2oc2cc(O)cc(O)c12	ZINC000040954011	EG	Annotated	Mild	
CCC[C@H]1O[C@H](CC(=O)OCC)CC2=C1C(=O)c1ccccc1C2=O	ZINC000040955889	EG	Annotated	Mild	
C=CCn1c(COc2ccc(NC(=S)NCC)cc2)n[nH]c1=S	ZINC000040956480	EG	Annotated	Mild	
Cc1ccccc1CNc1cc(-n2cncn2)cn2c(C)c(C)nc12	ZINC000040972839	EG	Annotated	Anodyne	
O=c1c2cc(/C=N/Nc3ccccn3)ccc2oc2cc(O)cc(O)c12	ZINC000040976630	EG	Annotated	Mild	
O=c1cccc2n1C[C@H]1C[C@@H]2CN(CCCc2ccc(F)cc2)C1	ZINC000040977261	EG	Annotated	Anodyne	
Clc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1	ZINC000040977267	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC(Nc2cccc(OC(F)(F)F)c2)=CC1=O	ZINC000040979441	EG	Annotated	Mild	
CCOC(=O)[C@H]1CCC(Nc2cccc(OC(F)(F)F)c2)=CC1=O	ZINC000040979443	EG	Annotated	Mild	
Cc1cn2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c(C)nc2s1	ZINC000040979701	EG	Annotated	Clean	
Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3)cc(=O)oc12	ZINC000040981129	EG	Annotated	Reactive	
COc1cc(OC)c(-c2oc3cc(O)c(O)cc3c2C=O)c(OC)c1	ZINC000042878416	EG	Annotated	Clean	
Cc1c(OS(=O)(=O)c2ccccc2F)cccc1C1CCNCC1	ZINC000042879064	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3	ZINC000042888663	EG	Annotated	Anodyne	
O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3	ZINC000042888667	EG	Annotated	Anodyne	
Nc1n[nH]c2c1S(=O)(=O)c1ccc(Cl)cc1N2c1ccccc1	ZINC000042889207	EG	Annotated	Anodyne	
O=C1c2c(ccc(O)c2O)CN1Cc1cc(Cl)c(F)cc1F	ZINC000042919981	EG	Annotated	Clean	
CCOC(OCC)n1c2ccccc2c2c(N)cc(N(C)C)nc21	ZINC000042920242	EG	Annotated	Anodyne	
Cc1c(CN2CCN(C(=O)NC(C)C)CC2)sc2ccccc12	ZINC000042921581	EG	Annotated	Anodyne	
COc1ccccc1CN(C)CCCn1c(=O)oc2ccccc21	ZINC000042921712	EG	Annotated	Anodyne	
CCCN(C)C(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1	ZINC000042921835	EG	Annotated	Anodyne	
COc1ccc(C2=NO[C@H](c3noc(C(F)(F)F)n3)C2)cc1F	ZINC000042921905	EG	Annotated	Anodyne	
COc1ccc(C2=NO[C@@H](c3noc(C(F)(F)F)n3)C2)cc1F	ZINC000042921907	EG	Annotated	Anodyne	
C#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2	ZINC000042924153	EG	Annotated	Reactive	
CC[C@H]1NC(=O)OC12CC[N+](C)(CCc1c[nH]c3ccccc13)CC2	ZINC000042963707	EG	Annotated	Bother	
CC[C@@H]1NC(=O)OC12CC[N+](C)(CCc1c[nH]c3ccccc13)CC2	ZINC000042963710	EG	Annotated	Bother	
CCc1c(Sc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O	ZINC000042988901	EG	Annotated	Anodyne	
Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1c(Cl)cccc1Cl	ZINC000042989238	EG	Annotated	Bother	
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12	ZINC000042989886	EG	Annotated	Bother	
O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccc([N+](=O)[O-])cc1	ZINC000042989944	EG	Annotated	Bother	
CN(Cc1cccc2ccccc12)Cn1nc(-c2ccncc2)oc1=O	ZINC000043009912	EG	Annotated	Anodyne	
CCOP(=O)(OCC)O[C@H](NCCCN(C)C)c1ccco1	ZINC000043010348	EG	Annotated	Anodyne	
CCOP(=O)(OCC)O[C@@H](NCCCN(C)C)c1ccco1	ZINC000043010351	EG	Annotated	Anodyne	
COc1ccc(-c2nc(-c3ccc(O)cc3)cnc2NC(C)=O)cc1	ZINC000043014430	EG	Annotated	Anodyne	
CC(C)=CCc1cc(C(=O)[C@@H](O)Cc2ccc(O)cc2)c(O)cc1O	ZINC000043016569	EG	Annotated	Anodyne	
O=c1cc(CNCc2ccc(Cl)cc2)oc2ccc(O)c(O)c12	ZINC000043018076	EG	Annotated	Clean	
COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@H]3COC[C@H]23)ccc1O	ZINC000043019296	EG	Annotated	Anodyne	
OCc1c(CO)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1-2	ZINC000043019331	EG	Annotated	Anodyne	
O=C(CCCc1cccs1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2	ZINC000043019775	EG	Annotated	Anodyne	
C=CCN(CC=C)C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@@H]21	ZINC000043020386	EG	Annotated	Mild	
CC(C)(CC(=O)NC1CC1)CC(=O)NC1C2CC3CC(C2)CC1C3	ZINC000043022483	EG	Annotated	Anodyne	
CCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1	ZINC000043022983	EG	Annotated	Anodyne	
O=C1c2c(ccc(O)c2O)CN1Cc1c(F)ccc(F)c1Cl	ZINC000043023710	EG	Annotated	Clean	
O=C(CCCc1cccs1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2	ZINC000043023878	EG	Annotated	Anodyne	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000043024459	EG	Annotated	Clean	
CC1=CC=CC2=NC[C@H](C(=O)c3ccc(Br)cc3)CN12	ZINC000043062410	EG	Annotated	Anodyne	
CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(Br)cc3)CN12	ZINC000043062413	EG	Annotated	Anodyne	
O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Br)c1	ZINC000043063489	EG	Annotated	Clean	
Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1	ZINC000043064306	EG	Annotated	Anodyne	
C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1	ZINC000043068427	EG	Annotated	Anodyne	
C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1	ZINC000043068439	EG	Annotated	Anodyne	
COc1c(O)ccc2c1OCC(c1ccc(O)c(OC)c1OC)=C2	ZINC000043069949	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C(/C=C/CCC)C(=O)[C@@]21C	ZINC000043070378	EG	Annotated	Mild	
O=C(O)c1c(-c2ccccc2)csc1NC(=S)N1CCOCC1	ZINC000043071574	EG	Annotated	Anodyne	
C#CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21	ZINC000043072471	EG	Annotated	Mild	
CN(C)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1	ZINC000043072788	EG	Annotated	Anodyne	
O=c1cc(CNCc2cccc(Cl)c2)oc2ccc(O)c(O)c12	ZINC000043074183	EG	Annotated	Clean	
O=c1c(Cl)nc(Cl)c(CBr)n1-c1ccccc1	ZINC000043074881	EG	Annotated	Reactive	
Cc1cccc(OC(C)(C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000043075223	EG	Annotated	Reactive	
CCc1c(Oc2cc(C)cc(C)c2)n(CC2CCC2)c(=O)[nH]c1=O	ZINC000043075278	EG	Annotated	Anodyne	
N#CCn1c(-c2ccc(-n3cncn3)cc2)nc2c(F)cc(F)cc21	ZINC000043075796	EG	Annotated	Mild	
COc1ccc(CNC(=O)Oc2ccc(C3=NCCS3)cc2)cc1	ZINC000043075918	EG	Annotated	Anodyne	
CC(=O)c1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)cc2)cc1	ZINC000043075957	EG	Annotated	Reactive	
Cc1nc2c(-c3ccc(F)cc3)[nH]c(-c3ccc(O)cc3)cn-2c1=O	ZINC000043076953	EG	Annotated	Anodyne	
CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc([N+](=O)[O-])cc1	ZINC000043077062	EG	Annotated	Bother	
CC(C)c1c(Oc2ccccc2)n(CC2CC=CC2)c(=O)[nH]c1=O	ZINC000043077071	EG	Annotated	Anodyne	
O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1ccccc1[N+](=O)[O-]	ZINC000043121419	EG	Annotated	Bother	
COc1ccc(-c2[nH]c(-c3ccc(O)cc3)cn3c(=O)c(C)nc2-3)cc1	ZINC000043122605	EG	Annotated	Anodyne	
O=C(c1ccc([N+](=O)[O-])cc1)n1ccnc1-c1cccc([N+](=O)[O-])c1	ZINC000043122903	EG	Annotated	Bother	
O=C(Nc1nnc(C2CCCC2)s1)c1ccc2c(c1)OCCO2	ZINC000043123534	EG	Annotated	Anodyne	
NC[C@@H]1CCCc2cc(S(=O)(=O)c3c[nH]c4ccccc34)ccc21	ZINC000043130645	EG	Annotated	Anodyne	
CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](CO)[C@@]2(C)CCC1=CCOC1=O	ZINC000043153150	EG	Annotated	Mild	
Cc1ccc(CNCC2(F)CCN(C(=O)c3cccs3)CC2)nc1	ZINC000043204879	EG	Annotated	Anodyne	
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccsc3)CC2)nc1	ZINC000043204882	EG	Annotated	Anodyne	
CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@@H]2CC[C@H]3CCCC[C@]13OO2	ZINC000043328004	EG	Annotated	Reactive	
CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@H]2CC[C@H]3CCCC[C@@]13OO2	ZINC000043328005	EG	Annotated	Reactive	
CO[C@@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2	ZINC000043393655	EG	Annotated	Reactive	
CO[C@@]12CCC[C@@H](C1)[C@H](I)C(C)(C)OO2	ZINC000043393658	EG	Annotated	Reactive	
CO[C@]12CCC[C@H](C[C@](C)(CI)OO1)C2	ZINC000043393863	EG	Annotated	Reactive	
CO[C@]12CCC[C@H](C[C@@](C)(CI)OO1)C2	ZINC000043393866	EG	Annotated	Reactive	
CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4	ZINC000043397139	EG	Annotated	Reactive	
CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4	ZINC000043397140	EG	Annotated	Reactive	
CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@@H](CC)C(N)=O	ZINC000043397160	EG	Annotated	Mild	
CCCCCCCN(C(=O)Cc1ccc(OC)cc1)[C@H](CC)C(N)=O	ZINC000043397161	EG	Annotated	Mild	
COC(=O)c1ccc([C@H]2OO[C@@]3(CCC[C@@H](C)C3)[C@@H](OC)O2)cc1	ZINC000043443083	EG	Annotated	Reactive	
COC(=O)c1ccc([C@H]2OO[C@]3(CCC[C@@H](C)C3)[C@@H](OC)O2)cc1	ZINC000043443085	EG	Annotated	Reactive	
CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@H]2Cc1ccc(CO)cc1	ZINC000043450363	EG	Annotated	Reactive	
CCOC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	ZINC000043470174	EG	Annotated	Reactive	
CCCCCCCCCc1cc2cn(COCCO)c(=O)nc2o1	ZINC000043470287	EG	Annotated	Mild	
CCCCCCCCC#Cc1cc2cn(COCCO)c(=O)nc2o1	ZINC000043481798	EG	Annotated	Mild	
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2O	ZINC000043510289	EG	Annotated	Clean	in-man
C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCC2)OO1	ZINC000043552525	EG	Annotated	Reactive	
C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCC2)OO1	ZINC000043552527	EG	Annotated	Reactive	
CC#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2	ZINC000043552674	EG	Annotated	Reactive	
C#C[C@@]12C=C(C#N)C(=O)C=C1[C@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2	ZINC000043553024	EG	Annotated	Reactive	
C#C[C@@]12C=C(C#N)C(=O)C=C1[C@]1(C)C=C(C#N)C(=O)C(C)(C)[C@H]1CC2	ZINC000043553026	EG	Annotated	Reactive	
C=C1COOC2(CCC(Cc3ccc(C(=O)OC)cc3)CC2)OOC1	ZINC000043606211	EG	Annotated	Reactive	
CCCCCCCCCCC#Cc1csc([C@@H](O)[C@@H](N)CO)n1	ZINC000043815505	EG	Annotated	Mild	
O=C1N(Cc2ccccc2)C[C@H](c2ccc(F)cc2)[C@]12CCCNC2	ZINC000044137525	EG	Annotated	Anodyne	 
O=C1N(Cc2ccccc2)C[C@@H](c2ccc(F)cc2)[C@]12CCCNC2	ZINC000044137528	EG	Annotated	Anodyne	 
O=C1N(Cc2ccccc2)C[C@H](c2ccc(F)cc2)[C@@]12CCCNC2	ZINC000044137530	EG	Annotated	Anodyne	 
O=C1N(Cc2ccccc2)C[C@@H](c2ccc(F)cc2)[C@@]12CCCNC2	ZINC000044137533	EG	Annotated	Anodyne	 
CCCCCCC[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O	ZINC000044247208	EG	Annotated	Reactive	
COC(=O)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1	ZINC000044265243	EG	Annotated	Reactive	
COC1=C(C(C)C)C(=O)c2c(O)cc3c(c2C1=O)C=CC(=O)C3(C)C	ZINC000044307534	EG	Annotated	Mild	 
CC1(C)C[C@H]([C@]23C=C[C@](CO)(CC2)OO3)CC[C@@H]1Br	ZINC000044351011	EG	Annotated	Reactive	 
O=[S@@](Cc1cc(OCC2CC2)ccn1)c1nc2cc(F)ccc2[nH]1	ZINC000004591823	EG	Annotated	Anodyne	
CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12	ZINC000004598113	EG	Annotated	Anodyne	 
CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12	ZINC000004598114	EG	Annotated	Anodyne	 
CCO[C@@H](C)n1c([S@@](=O)Cc2ccccn2)nc2ccccc21	ZINC000004626797	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1cc([C@@H]2CCCNC2)c2ccccc21	ZINC000004636349	EG	Annotated	Anodyne	in-vivo
COC(=O)C1(OC(=O)c2ccccc2)CC(C)(C)N(C)C(C)(C)C1	ZINC000004655036	EG	Annotated	Anodyne	in-vitro
O=C(CC[C@H]1CC(=O)Nc2ccccc21)NCc1ccc(F)cc1	ZINC000004675274	EG	Annotated	Anodyne	 
CS[P@@]1(=S)N=C(N2CCCCC2)C(C#N)=C2CCCN21	ZINC000004784903	EG	Annotated	Reactive	 
CS[P@]1(=S)N=C(N2CCCCC2)C(C#N)=C2CCCN21	ZINC000004784905	EG	Annotated	Reactive	 
C[C@H]1CCC[C@H](NC(=O)COC(=O)/C=C/c2ccc(F)cc2)[C@@H]1C	ZINC000004836264	EG	Annotated	Anodyne	 
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc(F)cc2)[C@@H]1C	ZINC000004836265	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccc(F)cc2)[C@@H]1C	ZINC000004836267	EG	Annotated	Anodyne	 
O=C(On1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1	ZINC000004837865	EG	Annotated	Mild	 
O=C(O)C(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	ZINC000004869453	EG	Annotated	Mild	 
COc1ccc2c(c1)sc(=N)n2CC(=O)Nc1cc(C)cc(C)c1	ZINC000004883496	EG	Annotated	Anodyne	 
CCOC(=O)CNC(=O)c1cc2cc3ccc(C)cc3nc2s1	ZINC000004885948	EG	Annotated	Anodyne	 
O=C(NCc1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1	ZINC000004886264	EG	Annotated	Anodyne	 
COc1ccccc1[C@@H](OC(=O)c1ccco1)C(=O)NC(C)(C)C	ZINC000004900372	EG	Annotated	Anodyne	 
COc1ccccc1[C@H](OC(=O)c1ccco1)C(=O)NC(C)(C)C	ZINC000004900387	EG	Annotated	Anodyne	 
CC(=O)N1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000004921094	EG	Annotated	Mild	 
C/C(=N\N1C(=O)CSC1=S)c1ccc(Br)cc1	ZINC000004924704	EG	Annotated	Mild	 
CCC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCC(C)CC1	ZINC000004925299	EG	Annotated	Anodyne	 
CCC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCC(C)CC1	ZINC000004925304	EG	Annotated	Anodyne	 
Cc1c(Cl)cccc1NC(=O)[C@H]1NC(=O)C[C@H]1c1ccccc1	ZINC000004928710	EG	Annotated	Anodyne	 
Cc1c(Cl)cccc1NC(=O)[C@@H]1NC(=O)C[C@H]1c1ccccc1	ZINC000004928714	EG	Annotated	Anodyne	 
Cc1c(Cl)cccc1NC(=O)[C@H]1NC(=O)C[C@@H]1c1ccccc1	ZINC000004928720	EG	Annotated	Anodyne	 
Cc1c(Cl)cccc1NC(=O)[C@@H]1NC(=O)C[C@@H]1c1ccccc1	ZINC000004928724	EG	Annotated	Anodyne	 
COC(=O)c1ccc([C@H]2NC(=O)c3[nH]nc(-c4ccc(C)cc4)c32)cc1	ZINC000004928984	EG	Annotated	Anodyne	 
COC(=O)c1ccc([C@@H]2NC(=O)c3[nH]nc(-c4ccc(C)cc4)c32)cc1	ZINC000004928985	EG	Annotated	Anodyne	 
COc1ccc(CCNC(=O)c2cc3c(s2)CSC3)cc1OC	ZINC000004937255	EG	Annotated	Anodyne	 
Cn1c(C(=O)N2CCCCCC2)cc2c(=O)n(C)c3ccccc3c21	ZINC000004938601	EG	Annotated	Anodyne	
CCn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccccc21	ZINC000004939004	EG	Annotated	Anodyne	aggregator
COc1ccc2cc3c(N)nn(C(=O)c4ccccc4F)c3nc2c1	ZINC000004939888	EG	Annotated	Anodyne	 
CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2[C@H]1O	ZINC000004940066	EG	Annotated	Anodyne	aggregator
CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2[C@@H]1O	ZINC000004940067	EG	Annotated	Anodyne	aggregator
O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1	ZINC000004959063	EG	Annotated	Anodyne	 
O=c1[nH][nH]c(-c2ccccc2)c1Cc1c(-c2ccccc2)n[nH]c1O	ZINC000004978342	EG	Annotated	Anodyne	 
CCOC(=O)N/N=C(\C)c1ccc(OC(F)F)cc1OC(F)F	ZINC000004979672	EG	Annotated	Reactive	 
COC(=O)c1cc(C(=O)CN(Cc2ccccc2)C(C)C)ccc1O	ZINC000045168308	EG	Annotated	Anodyne	
CCC1(CC)NC(N)=NC(=N)N1OCc1ccc(Cl)c(Cl)c1	ZINC000045189603	EG	Annotated	Anodyne	
CCCNC(=O)Nc1ccc(N(C)c2ccnc(NC3CC3)n2)cc1	ZINC000045195727	EG	Annotated	Anodyne	
Cc1cc(C(=O)Nc2nc(-c3ccccn3)nc3ccsc23)no1	ZINC000045201520	EG	Annotated	Anodyne	
Cc1cc(N(C)[C@@H]2CCN(C)C2)nc(Nc2ccc(Cl)cc2)n1	ZINC000045202917	EG	Annotated	Anodyne	
Cc1cc(N(C)[C@H]2CCN(C)C2)nc(Nc2ccc(Cl)cc2)n1	ZINC000045202919	EG	Annotated	Anodyne	
Cc1ccc2ccccc2c1CCCON1C(=N)NC(=N)NC1(C)C	ZINC000045226920	EG	Annotated	Anodyne	
Cc1c(-c2ccc3c(c2)C[C@H](C2CC2)C3=O)nnn1-c1cccnc1	ZINC000045245547	EG	Annotated	Anodyne	
Cc1c(-c2ccc3c(c2)C[C@@H](C2CC2)C3=O)nnn1-c1cccnc1	ZINC000045245548	EG	Annotated	Anodyne	
CCN(CC)C(=O)c1c(NCC(C)C)c2cccnc2n2ccnc12	ZINC000045245890	EG	Annotated	Anodyne	
CCC1(CC)C(=O)N(c2ccccc2CSc2nccn2C)C1=O	ZINC000045246067	EG	Annotated	Anodyne	
O=C(NO)c1cc2ccn(Cc3c(F)ccc(Cl)c3F)c2cn1	ZINC000045252997	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2ccc(=O)n(-c3ccc(C)cc3)c2)c(O)c1	ZINC000045253184	EG	Annotated	Anodyne	
CCC/N=C(\c1ccc(=O)n(CCC)c1)c1ccc(OC)cc1O	ZINC000045253383	EG	Annotated	Mild	
CCc1nn(CCO)c(CC)c1[C@H](O)c1cc(Cl)cc(Cl)c1	ZINC000045254380	EG	Annotated	Anodyne	
CCc1nn(CCO)c(CC)c1[C@@H](O)c1cc(Cl)cc(Cl)c1	ZINC000045254382	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2ccc(=O)n(C3CCCCC3)c2)c(O)c1	ZINC000045254624	EG	Annotated	Anodyne	
CCOc1c(Cc2cc(Cl)cc(Cl)c2)c(C)nn1CCO	ZINC000045254774	EG	Annotated	Anodyne	
COCc1nn(CCO)c(C)c1Cc1cc(Cl)cc(Cl)c1	ZINC000045254780	EG	Annotated	Anodyne	
CCC1(C(=O)Nc2cc(CN3CCOCC3)c(C)cn2)CCCC1	ZINC000045255250	EG	Annotated	Anodyne	
CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000045255350	EG	Annotated	Anodyne	
CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@H]1OC1=CC=C1	ZINC000045255636	EG	Annotated	Anodyne	
CC(=O)N1N=C(Nc2nc3ccc(C)cc3s2)C[C@@H]1OC1=CC=C1	ZINC000045255639	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(O)c(/C=N/CCSCCc2ccccn2)c1	ZINC000045255808	EG	Annotated	Mild	
O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCC[C@H]1c1nnn[nH]1	ZINC000045255956	EG	Annotated	Anodyne	
Cn1cncc1CSCc1ccc(I)cc1	ZINC000045256648	EG	Annotated	Anodyne	
Cc1cnc(NC(=O)[C@]2(C)CCCC[C@@H]2C)cc1CN1CCOCC1	ZINC000045257847	EG	Annotated	Anodyne	
Cc1cnc(NC(=O)[C@@]2(C)CCCC[C@@H]2C)cc1CN1CCOCC1	ZINC000045257851	EG	Annotated	Anodyne	
Cc1cnc(NC(=O)[C@]2(C)CCCC[C@H]2C)cc1CN1CCOCC1	ZINC000045257854	EG	Annotated	Anodyne	
Cc1cnc(NC(=O)[C@@]2(C)CCCC[C@H]2C)cc1CN1CCOCC1	ZINC000045257857	EG	Annotated	Anodyne	
COc1ccc2c(c[n+](C)c3c4cc(O)c(O)cc4ccc23)c1OC	ZINC000045259358	EG	Annotated	Clean	
CNc1cc(-c2csc(N(C)C(=O)c3ccc(F)cc3)n2)ncn1	ZINC000045259583	EG	Annotated	Anodyne	
CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCC3	ZINC000045259757	EG	Annotated	Reactive	
COc1ccc(C(=O)c2ccc(=O)n(-c3cc(C)ccc3C)c2)c(O)c1	ZINC000045260316	EG	Annotated	Anodyne	
O=C(CN(Cc1ccccc1)Cc1ccc2ccccc2c1)OCCO	ZINC000045260352	EG	Annotated	Anodyne	
Cc1ccc2cc3c(OC(=O)COc4ccccc4)nn(C)c3nc2c1	ZINC000045260398	EG	Annotated	Anodyne	
COc1ccc(/C(=N/C(C)C)c2ccc(=O)n(C(C)C)c2)c(O)c1	ZINC000045260423	EG	Annotated	Mild	
C[C@@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2	ZINC000045261708	EG	Annotated	Clean	
C[C@H](CO)c1cc2c(c(O)c1O)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2	ZINC000045261713	EG	Annotated	Clean	
COc1ccc([C@@H](O)c2ccc3c(ccn3C)c2)c(OC)c1OC	ZINC000045287129	EG	Annotated	Anodyne	
COc1ccc([C@H](O)c2ccc3c(ccn3C)c2)c(OC)c1OC	ZINC000045287130	EG	Annotated	Anodyne	
O=C(O)/C=C/C(=O)n1cc(C(=O)Nc2ccccc2)c2ccccc21	ZINC000045287154	EG	Annotated	Anodyne	
Cn1cnc(CSCc2ccc(I)cc2)c1	ZINC000045287279	EG	Annotated	Anodyne	
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4F)cc23)n1	ZINC000045288676	EG	Annotated	Anodyne	
C[C@@H](CO)c1cc(O)c2c(c1)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]1(O)C2	ZINC000045290367	EG	Annotated	Anodyne	
C[C@H](CO)c1cc(O)c2c(c1)[C@@H](O)C[C@H]1C(C)(C)CCC[C@]1(O)C2	ZINC000045290370	EG	Annotated	Anodyne	
c1ccc([C@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1	ZINC000045290578	EG	Annotated	Anodyne	
c1ccc([C@@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1	ZINC000045290581	EG	Annotated	Anodyne	
N#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1	ZINC000045290757	EG	Annotated	Mild	
N#Cc1nc2ccc3c(nnn3-c3ccnc4ccccc34)c2s1	ZINC000045291306	EG	Annotated	Mild	
N#Cc1ccccc1CN1CCC(Oc2cccc3onc(N)c23)CC1	ZINC000045291383	EG	Annotated	Mild	
C/C(=N/NC(=O)c1nc(C(C)C)cs1)c1ccc([N+](=O)[O-])cc1	ZINC000045298440	EG	Annotated	Reactive	
N#Cc1nc2ccc3c(nnn3-c3ccc4ccccc4n3)c2s1	ZINC000045298929	EG	Annotated	Mild	
N#Cc1nn(-c2ccc(/N=N/c3ccccc3)cc2)c(=N)c(C#N)c1N	ZINC000045299076	EG	Annotated	Mild	
Cc1c(-c2ccc(C(=O)N(C)C(C)C)cc2)nnn1-c1cccnc1	ZINC000045299718	EG	Annotated	Anodyne	
Cc1cn2c(n1)-c1cc(Br)ccc1-n1cnc(C)c1C2	ZINC000045299828	EG	Annotated	Anodyne	
CCc1nc2c(o1)C(=O)C(Nc1ccccc1)=C(Br)C2=O	ZINC000045299834	EG	Annotated	Mild	
O=c1c2c3c(sc2nc2n1CCCCC2)C(Cl)=C(CO)CC3	ZINC000045300191	EG	Annotated	Anodyne	
COc1ccc(/C(=N\O)c2ccc3c(ccn3C)c2)c(OC)c1OC	ZINC000045300762	EG	Annotated	Mild	
CC(C)C(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000045300998	EG	Annotated	Mild	
COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(O)c1	ZINC000045301916	EG	Annotated	Anodyne	
CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@H]1c1ccc(O)cc1	ZINC000045302109	EG	Annotated	Anodyne	
CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@H]1c1ccc(O)cc1	ZINC000045302111	EG	Annotated	Anodyne	
Cc1ncn2c1Cn1c(C)cnc1-c1cc(Br)ccc1-2	ZINC000045302430	EG	Annotated	Anodyne	
c1ccc(CN2CCc3cc4nccc(N5CCNCC5)c4cc32)cc1	ZINC000045302731	EG	Annotated	Anodyne	
N#Cc1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1	ZINC000045319546	EG	Annotated	Mild	
C[S@@](=O)c1ccc(-c2coc3ccc(-c4nnc(N)o4)cc23)cc1	ZINC000045319633	EG	Annotated	Anodyne	
C[S@](=O)c1ccc(-c2coc3ccc(-c4nnc(N)o4)cc23)cc1	ZINC000045319637	EG	Annotated	Anodyne	
Cc1cc(N(C)[C@@H]2CCN(C)C2)nc(Nc2ccccc2Cl)n1	ZINC000045321124	EG	Annotated	Anodyne	
Cc1cc(N(C)[C@H]2CCN(C)C2)nc(Nc2ccccc2Cl)n1	ZINC000045321127	EG	Annotated	Anodyne	
Cc1cc(N2CC[C@H](N(C)C)C2)nc(Nc2ccc(Cl)cc2)n1	ZINC000045323572	EG	Annotated	Anodyne	
Cc1cc(N2CC[C@@H](N(C)C)C2)nc(Nc2ccc(Cl)cc2)n1	ZINC000045323575	EG	Annotated	Anodyne	
COc1ccc(OC)c2c1C[C@@H]1NC[C@H]2c2c(OC)ccc(OC)c21	ZINC000045324403	EG	Annotated	Anodyne	
COc1ccc(OC)c2c1C[C@H]1NC[C@@H]2c2c(OC)ccc(OC)c21	ZINC000045324404	EG	Annotated	Anodyne	
O=C1OCc2c1cc1ccc3c(c1c2-c1ccc(O)c(O)c1)OCO3	ZINC000045335494	EG	Annotated	Clean	
CC(=O)OCC/C=C1/C=C(c2ccc(Br)cc2)C(=O)O1	ZINC000045335972	EG	Annotated	Anodyne	
O=c1[nH]c2ccccc2nc1N/N=C1\CCCC[C@@H]1Br	ZINC000045337088	EG	Annotated	Reactive	
O=c1[nH]c2ccccc2nc1N/N=C1\CCCC[C@H]1Br	ZINC000045337090	EG	Annotated	Reactive	
O=c1cc(CSc2ccc([N+](=O)[O-])cn2)c2ccc(O)cc2o1	ZINC000045337163	EG	Annotated	Bother	 
CN(Cc1ccncc1)[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1	ZINC000045337175	EG	Annotated	Anodyne	
CN(Cc1ccncc1)[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C1	ZINC000045337177	EG	Annotated	Anodyne	
O=C(N/C=C/c1ccc(Cl)cc1Cl)N1CCC[C@H](CO)C1	ZINC000045338271	EG	Annotated	Anodyne	
O=C(N/C=C/c1ccc(Cl)cc1Cl)N1CCC[C@@H](CO)C1	ZINC000045338273	EG	Annotated	Anodyne	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccncc2)c2ccccc12	ZINC000045339717	EG	Annotated	Anodyne	
CCNCCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12	ZINC000045339983	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3cc(O)ccc3C[C@H]2OC(C)=O)cc1OC	ZINC000045340059	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C[C@@H]2OC(C)=O)cc1OC	ZINC000045340081	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C[C@@H]2OC(C)=O)cc1OC	ZINC000045340083	EG	Annotated	Anodyne	
Cc1nc2cc3c(cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1)OCO3	ZINC000045340255	EG	Annotated	Mild	
O=c1[nH]c2ccccc2n(CN(c2ccccc2)c2ccccc2)c1=O	ZINC000045347717	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3cc(O)ccc3C[C@@H]2OC(C)=O)cc1OC	ZINC000045348012	EG	Annotated	Anodyne	
CC(C)[C@@H](c1ccc(Cl)cc1)S(=O)(=O)/N=c1\[nH]ccs1	ZINC000045348168	EG	Annotated	Anodyne	
CC(C)[C@H](c1ccc(Cl)cc1)S(=O)(=O)/N=c1\[nH]ccs1	ZINC000045348171	EG	Annotated	Anodyne	
O=C(NCCC/N=C/c1c(O)ccc2ccccc12)c1ccccc1O	ZINC000045348377	EG	Annotated	Mild	
CC(=O)O[C@@H](C)CCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21	ZINC000045349123	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)CCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21	ZINC000045349126	EG	Annotated	Anodyne	
CC(=O)O[C@@H](C)CCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21	ZINC000045349129	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)CCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21	ZINC000045349131	EG	Annotated	Anodyne	
O=C(Nc1ccncc1)C(=O)c1cn(-c2cccnc2)c2ccccc12	ZINC000045349164	EG	Annotated	Anodyne	
O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1c(F)cc(F)cc1F	ZINC000045349321	EG	Annotated	Bother	
O=C(/C=C/N1CCC(c2ccc(O)cc2)CC1)c1ccc(O)cc1O	ZINC000045349509	EG	Annotated	Mild	
CC(=O)OCCCCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21	ZINC000045350183	EG	Annotated	Anodyne	
CC(=O)OCCCCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21	ZINC000045350186	EG	Annotated	Anodyne	
O=C1CCCC2=C1[C@@H](c1ccccc1Cl)N=C(c1cnccn1)N2	ZINC000045350189	EG	Annotated	Mild	
Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(F)c2)c(=O)n1C	ZINC000045352079	EG	Annotated	Anodyne	
Cc1ccc2c(c1)c(/C=C1\NC(=O)NC1=O)cn2Cc1ccccc1	ZINC000045354689	EG	Annotated	Anodyne	
COC(=O)CCC[n+]1ccc2c(c1)[nH]c1ccc(Br)cc12	ZINC000045354948	EG	Annotated	Anodyne	
O=C(O)c1cn(CCc2ccccc2)c2c(F)ccc(F)c2c1=O	ZINC000045355579	EG	Annotated	Anodyne	
CN(C)C1=NN(c2ccccc2)CN(c2ccccc2Cl)C1=O	ZINC000045355637	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@]4(O)CO	ZINC000045356348	EG	Annotated	Anodyne	in-vitro biogenic
OCCNCCNc1nc2ccc(F)cc2c2[nH]c3ccccc3c12	ZINC000045357370	EG	Annotated	Bother	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccccn2)c2ccccc12	ZINC000045357712	EG	Annotated	Anodyne	
C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@H]1O2	ZINC000045358055	EG	Annotated	Mild	
CC[C@@H]1CN([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc21	ZINC000045358961	EG	Annotated	Anodyne	
CC[C@H]1CN([C@@H](c2cccc(F)c2)[C@H](O)CNC)c2ccccc21	ZINC000045358964	EG	Annotated	Anodyne	
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CCc2cc(Cl)ccc21	ZINC000045365096	EG	Annotated	Anodyne	
CN1C(=O)c2ccc(Nc3ccc(Br)cc3)cc2C1=O	ZINC000045366667	EG	Annotated	Anodyne	
C=C1CC/C=C(\C)C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](O)[C@@]2(C)CC[C@@H]1O2	ZINC000045366820	EG	Annotated	Mild	
COc1ccccc1CN1CCc2nc(-c3cnccn3)sc2C1	ZINC000045368017	EG	Annotated	Anodyne	
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2ccccc21	ZINC000045371197	EG	Annotated	Anodyne	
CNC[C@@H](O)[C@H](c1cc(F)cc(F)c1)N1CC(C)(C)c2ccccc21	ZINC000045374765	EG	Annotated	Anodyne	
CNC[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2ccc(F)cc21	ZINC000045375257	EG	Annotated	Anodyne	
C=CCC1=CC2=C(OC)[C@H](C1=O)[C@]2(C)[C@H](O)c1ccc2c(c1)OCO2	ZINC000045385911	EG	Annotated	Mild	
CCOc1ccc2nc(NCCNC(=O)c3ccco3)c(C)cc2c1	ZINC000045390226	EG	Annotated	Anodyne	
CCN(C)CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12	ZINC000045391472	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C[C@H]2OC(C)=O)cc1OC	ZINC000045393344	EG	Annotated	Anodyne	
CCN(C)CCc1ccc2c(S(=O)(=O)c3ccccc3)c[nH]c2c1	ZINC000045393887	EG	Annotated	Anodyne	
CCN(C)CCc1cccc2c(S(=O)(=O)c3ccccc3)c[nH]c12	ZINC000045393899	EG	Annotated	Anodyne	
CN(Cc1ccccn1)[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1	ZINC000045394523	EG	Annotated	Anodyne	
CN(Cc1ccccn1)[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C1	ZINC000045394527	EG	Annotated	Anodyne	
C=CCS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O	ZINC000045495832	EG	Annotated	Mild	
c1cc2c(cc1C[C@@H]1COC[C@@H]1Cc1ccc3c(c1)OCO3)OCO2	ZINC000045496065	EG	Annotated	Anodyne	
c1cc2c(cc1C[C@H]1COC[C@@H]1Cc1ccc3c(c1)OCO3)OCO2	ZINC000045496067	EG	Annotated	Anodyne	in-vitro biogenic
c1cc2c(cc1C[C@@H]1COC[C@H]1Cc1ccc3c(c1)OCO3)OCO2	ZINC000045496069	EG	Annotated	Anodyne	
CCOC(=O)c1c(O[C@@H]2CCCC[C@@H]2Cl)c(CC)c(C)[nH]c1=O	ZINC000045496409	EG	Annotated	Reactive	
CCOC(=O)c1c(O[C@H]2CCCC[C@@H]2Cl)c(CC)c(C)[nH]c1=O	ZINC000045496411	EG	Annotated	Reactive	
CCOC(=O)c1c(O[C@@H]2CCCC[C@H]2Cl)c(CC)c(C)[nH]c1=O	ZINC000045496413	EG	Annotated	Reactive	
CCOC(=O)c1c(O[C@H]2CCCC[C@H]2Cl)c(CC)c(C)[nH]c1=O	ZINC000045496415	EG	Annotated	Reactive	
Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1	ZINC000045497484	EG	Annotated	Anodyne	
CCCNc1nc(NCCc2cccs2)ncc1-c1nnc(C)o1	ZINC000045497555	EG	Annotated	Anodyne	
NC(=S)Nc1cccc(OCCCCCOc2cccnc2)c1	ZINC000045506541	EG	Annotated	Anodyne	
C[C@H](CO)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O	ZINC000045506696	EG	Annotated	Clean	 
CCOC(=O)c1c(-c2ccccc2)n(O)c2cc(C)c(C)cc2[n+]1=O	ZINC000471072562	EG	Annotated	Anodyne	 
CCOc1ccc2c(c1)n(O)c(-c1ccccc1Cl)c(N)[n+]2=O	ZINC000472660142	EG	Annotated	Anodyne	 
CON=CCCC(F)(F)c1ccc([C@@H](C)[S@](C)(=O)=NC#N)cn1	ZINC000472780969	EG	Annotated	Mild	 
CON=CCCC(F)(F)c1ccc([C@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000472781061	EG	Annotated	Mild	 
CON=CCCC(F)(F)c1ccc([C@@H](C)[S@@](C)(=O)=NC#N)cn1	ZINC000472781065	EG	Annotated	Mild	 
CON=CCCC(F)(F)c1ccc([C@H](C)[S@](C)(=O)=NC#N)cn1	ZINC000472781072	EG	Annotated	Mild	 
Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)o1	ZINC000472791553	EG	Annotated	Reactive	 
CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1	ZINC000472791588	EG	Annotated	Reactive	 
CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1cccs1	ZINC000472791611	EG	Annotated	Reactive	 
O=c1c(-c2cccs2)nnc2n1CCN2c1cccc(Cl)c1	ZINC000473081293	EG	Annotated	Anodyne	 
CCCNCc1ccc(-c2[nH]c3cccc4c(O)n[nH]c(=O)c2c34)cc1	ZINC000473081434	EG	Annotated	Anodyne	 
CC(C)NCc1ccc(-c2[nH]c3cccc4c(O)n[nH]c(=O)c2c34)cc1	ZINC000473082622	EG	Annotated	Anodyne	 
O=c1c(-c2cccs2)nnc2n1CCN2c1ccccc1Cl	ZINC000473083930	EG	Annotated	Anodyne	 
CCc1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O	ZINC000473085458	EG	Annotated	Clean	 
O=c1c(-c2cccs2)nnc2n1CCN2c1ccc(Cl)cc1	ZINC000473085535	EG	Annotated	Anodyne	 
Cc1ccn2c(CN3CCOCC3)c(-c3ccc(Cl)cc3)nc2n1	ZINC000473086970	EG	Annotated	Anodyne	 
C=C(C(C)=O)[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1	ZINC000473088024	EG	Annotated	Mild	 
CC(C)C1=CC(=O)[C@@]2(CC1)OC(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@]12C	ZINC000473089062	EG	Annotated	Mild	 
CCc1ccnc(-c2nccn2Cc2nnc(-c3ccc(N)cc3)o2)c1	ZINC000473089065	EG	Annotated	Anodyne	 
O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOCc1ccc(Cl)cc1)CC2	ZINC000473089623	EG	Annotated	Bother	 
O=C1CN(C(=O)c2cncc(-c3cccc(O)c3)c2)c2ccccc2N1	ZINC000473089712	EG	Annotated	Anodyne	 
C=C(C(C)=O)[C@@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1	ZINC000473089911	EG	Annotated	Mild	 
C=C(C(C)=O)[C@H]1C[C@@H]2[C@@]3(C)[C@@H](O)CCC(C)(C)[C@]3(O)CC[C@@]2(C)O1	ZINC000473089912	EG	Annotated	Mild	 
C=C([C@H](C)O)[C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1	ZINC000473090977	EG	Annotated	Mild	 
C=C([C@@H]1C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC(=O)[C@]23C)O1)[C@@H](C)O	ZINC000473090980	EG	Annotated	Mild	 
C[C@H]1O[C@]1(C)C(=O)C[C@H]1[C@](C)(O)CC[C@@]2(O)C(C)(C)CCC[C@]12C	ZINC000473091559	EG	Annotated	Anodyne	 
C[C@@H]1O[C@@]1(C)C(=O)C[C@H]1[C@](C)(O)CC[C@@]2(O)C(C)(C)CCC[C@]12C	ZINC000473091566	EG	Annotated	Anodyne	 
O=C1CN(C(=O)c2cncc(-c3ccc(F)cc3)c2)c2ccccc2N1	ZINC000473091876	EG	Annotated	Anodyne	 
CCc1ccnc(-c2nccn2Cc2nnc(-c3ccccc3N)o2)c1	ZINC000473093306	EG	Annotated	Anodyne	 
CCCCN1C(=O)/C(=C/NCc2cccnc2)C(=O)c2cccc(C)c21	ZINC000473097918	EG	Annotated	Mild	 
CCCCN1C(=O)/C(=C/NN2CCCCC2)C(=O)c2cccc(C)c21	ZINC000473109196	EG	Annotated	Mild	 
CCO[C@H](Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1	ZINC000473109459	EG	Annotated	Anodyne	 
CCO[C@@H](Cc1nn[nH]n1)c1ccc(OCc2ccccc2C)cc1	ZINC000473109460	EG	Annotated	Anodyne	 
CC(C)(C)c1cc(C(=O)/C(C#N)=N/Nc2cc(F)cc(F)c2)no1	ZINC000473111399	EG	Annotated	Mild	 
C=CC(=O)Nc1cccc(-c2cn3c(C(=O)OCC)csc3n2)c1	ZINC000473111861	EG	Annotated	Anodyne	 
Cc1ccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)cc1	ZINC000473112604	EG	Annotated	Anodyne	 
Cc1cc(C)cc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1	ZINC000473114618	EG	Annotated	Anodyne	 
O=C(Nc1ccc(Cc2nnc(O)c3ccccc23)cc1)C(F)(F)F	ZINC000473115538	EG	Annotated	Anodyne	 
O=C(C1CC1)N1CCc2c1ccc1[nH]c(-c3ccccc3)cc(=O)c21	ZINC000473116246	EG	Annotated	Anodyne	 
N=c1[nH][nH]c(=NCc2c(Cl)cccc2Sc2ccccc2)[nH]1	ZINC000473117959	EG	Annotated	Anodyne	 
Cc1cc2c(-c3cccnc3C)cnc(NC3CCNCC3)c2nc1O	ZINC000473119287	EG	Annotated	Anodyne	 
CCOC(=O)/C=C/c1cccc(OC(=O)c2nc(C)c(C)nc2C)c1	ZINC000473121194	EG	Annotated	Anodyne	 
Cc1ccc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)cn1	ZINC000473121229	EG	Annotated	Anodyne	 
COc1cc(/C=C/C(=O)O/N=C/c2cccs2)cc2c1OCO2	ZINC000473121252	EG	Annotated	Mild	 
CCCOc1nc(Cl)c(C)c(=NCc2sc(C)nc2C)[nH]1	ZINC000473121489	EG	Annotated	Anodyne	 
O=c1c2ccc(F)cc2ncn1CCCCCCBr	ZINC000473123189	EG	Annotated	Reactive	 
Cc1cccc(Oc2cccc(Cl)c2CN=c2[nH][nH]c(=N)[nH]2)c1C	ZINC000473123821	EG	Annotated	Anodyne	 
CC(=O)c1ccc(Nc2nc(=NCCC(C)C)[nH]c3[nH]cnc23)cc1	ZINC000473123960	EG	Annotated	Anodyne	 
CC(C)C(=O)c1c(O)cc(O)c2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2	ZINC000473124085	EG	Annotated	Anodyne	 
C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@@H]1O	ZINC000473124746	EG	Annotated	Mild	 
C=C1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCC1=CC(=O)O[C@H]1O	ZINC000473124748	EG	Annotated	Mild	 
Cc1cncc(-c2cnc(NC3CCNCC3)c3nc(O)c(C)cc23)c1	ZINC000473124772	EG	Annotated	Anodyne	 
CCOC(=O)/C=C/c1ccccc1OC(=O)c1nc(C)c(C)nc1C	ZINC000473124792	EG	Annotated	Anodyne	 
CCOC(=O)/C=C/c1ccc(OC(=O)c2nc(C)c(C)nc2C)cc1	ZINC000473124800	EG	Annotated	Anodyne	 
Cc1ccncc1-c1cnc(NC2CCNCC2)c2nc(O)c(C)cc12	ZINC000473127453	EG	Annotated	Anodyne	 
Oc1ccc(-c2nnc(S)n2/N=C/c2ccccc2Cl)cc1	ZINC000473131272	EG	Annotated	Mild	 
OCc1ccc(-c2cnc3ccc(=NCc4cccc(F)c4)[nH]n23)cc1	ZINC000473132417	EG	Annotated	Anodyne	 
N#Cc1cccc(-c2cnc3ccc(=NCc4ccccc4)[nH]n23)c1	ZINC000473133395	EG	Annotated	Mild	 
C=CC[C@@]12C[C@]3(OCOC3=CC1=O)[C@@H](C)[C@@H]2c1ccc2c(c1)OCO2	ZINC000473134468	EG	Annotated	Mild	 
CC(=O)Oc1ccc(/C=C/C(=O)CCCN=[N+]=[N-])cc1OC(C)=O	ZINC000473134781	EG	Annotated	Mild	 
Cc1ccc([C@H]2C3=C(OC[C@@H]2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc1	ZINC000473137252	EG	Annotated	Mild	 
Cc1cc(NCc2ncccn2)n2nc(C)c(-c3ccccc3)c2n1	ZINC000473153642	EG	Annotated	Anodyne	 
O=C(NC1CCCCC1)c1c(NO)cc(-c2ccc(F)cc2)oc1=O	ZINC000473154226	EG	Annotated	Anodyne	 
C=CCOc1cccc2c1C(=O)c1c(OCC=C)cc(C=O)cc1C2=O	ZINC000473154254	EG	Annotated	Mild	 
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCO)C2	ZINC000473154571	EG	Annotated	Bother	 
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCO)C2	ZINC000473154572	EG	Annotated	Bother	 
O=C(Nc1ccccc1O)c1c(NO)cc(-c2ccccc2)oc1=O	ZINC000473154688	EG	Annotated	Anodyne	 
N#CCO[C@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1	ZINC000473154917	EG	Annotated	Mild	 
N#CCO[C@@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1	ZINC000473154918	EG	Annotated	Mild	 
C/C1=C/C[C@@H](O)[C@@]2(C)CC[C@@](C(C)C)(C[C@@H](O)[C@]3(C)CC[C@H]1O3)O2	ZINC000473154973	EG	Annotated	Anodyne	 
O=C(Nc1ccccc1)c1c(NO)cc(-c2cccs2)oc1=O	ZINC000473154999	EG	Annotated	Anodyne	 
Cc1cc(NCc2nccn2C)n2nc(C)c(-c3ccccc3)c2n1	ZINC000473155146	EG	Annotated	Anodyne	 
C/C1=C\[C@@H](O)C[C@@]2(C)O[C@@H]2C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC1	ZINC000473156105	EG	Annotated	Anodyne	 
COc1cc(CNC#N)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000473158146	EG	Annotated	Bother	 
CCOC(=O)[C@@]1(C)[C@H](c2ccc(Cl)cc2)N(C)C(=S)N[C@@H]1C	ZINC000473158399	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)[C@@H](C)NC(=S)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000473158400	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)[C@H](C)NC(=S)N(C)[C@@H]1c1ccc(Cl)cc1	ZINC000473158402	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)[C@H](C)NC(=S)N(C)[C@H]1c1ccc(Cl)cc1	ZINC000473158404	EG	Annotated	Anodyne	 
CCCc1cc(O)nc(SSc2nc(O)cc(CCC)n2)n1	ZINC000473167974	EG	Annotated	Reactive	 
C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@@H](C(=O)O)[C@H]1CC2	ZINC000473169794	EG	Annotated	Bother	 
C/C=C1/C[N@+]2(C)CCc3c([nH]c4ccccc34)[C@H](C(=O)O)[C@H]1CC2	ZINC000473169800	EG	Annotated	Bother	 
C[C@]1(CO)CCC[C@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)C(=O)C=CC4=O	ZINC000473169981	EG	Annotated	Mild	 
O=S(=O)(Nc1ccc(-c2ccncc2)c2cccnc12)C1CC1	ZINC000473170077	EG	Annotated	Anodyne	 
Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cn1	ZINC000473170719	EG	Annotated	Anodyne	 
Cc1cc(NCc2ccccn2)n2ncc(-c3cccc(N)c3)c2n1	ZINC000473172873	EG	Annotated	Anodyne	 
N=C1N[C@@](c2cc(NCC3CCC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1	ZINC000473213473	EG	Annotated	Anodyne	 
CCCc1cc(=O)n2nc(OCc3ccc(Cl)cc3)c(C#N)c2[nH]1	ZINC000473247204	EG	Annotated	Mild	 
CCCc1cc(=O)n2nc(COc3ccc(Cl)cc3)c(C#N)c2[nH]1	ZINC000473247246	EG	Annotated	Mild	 
O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(O)c(O)c1	ZINC000473247533	EG	Annotated	Clean	 
N#Cc1ccc(Nc2nccc(=NCc3ccc(F)cc3F)[nH]2)cc1	ZINC000473248098	EG	Annotated	Mild	 
COc1cccc(CN=c2ccnc(Nc3ccc(C#N)cc3)[nH]2)c1	ZINC000473248657	EG	Annotated	Mild	 
CCCc1cc(=O)n2nc(CNc3ccc(Cl)cc3)c(C#N)c2[nH]1	ZINC000473249338	EG	Annotated	Mild	 
CCCc1cc(=O)n2nc(CCc3ccc(Cl)cc3)c(C#N)c2[nH]1	ZINC000473249360	EG	Annotated	Mild	 
COC(=O)/C(=C\c1c[nH]c2ccccc12)S(=O)(=O)c1ccccc1	ZINC000473249948	EG	Annotated	Anodyne	 
COc1cc2c(N3C[C@@H](C)C[C@@H](C)C3)cnnc2c(OC)c1OC	ZINC000474603316	EG	Annotated	Anodyne	 
CNCCN(C)Cc1c[nH]nc1-c1ccc(OC(C)C)c(Cl)c1	ZINC000474609329	EG	Annotated	Anodyne	 
COc1cc(C(=O)c2cccc3c2ccn3C)c(O)c(OC)c1OC	ZINC000474609635	EG	Annotated	Anodyne	 
CC(C)n1cnc2cc3c(=O)c4ccccc4n(CCN(C)C)c3nc21	ZINC000474609897	EG	Annotated	Bother	 
COc1cc2c(N3C[C@@H](C)C[C@@H](C)C3)nncc2c(OC)c1OC	ZINC000474609985	EG	Annotated	Anodyne	 
O=c1c2ccccc2n(CCO)c2nc3c(cc12)ncn3C1CCCC1	ZINC000474610050	EG	Annotated	Bother	 
COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(OC)c1O	ZINC000048877422	EG	Annotated	Anodyne	 
COc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(Cl)c1O	ZINC000048877593	EG	Annotated	Anodyne	 
COc1cc(-c2c(C=O)c(O)cc3cc(OC)c(O)cc23)ccc1O	ZINC000049014037	EG	Annotated	Anodyne	
COc1cc(-c2cc(C=O)c(O)c3cc(OC)c(O)cc23)ccc1O	ZINC000049014105	EG	Annotated	Anodyne	
O=C(c1cccc(Cl)c1Cl)N(C1=CCOC=C1)[C@H]1CCNC1	ZINC000049015757	EG	Annotated	Anodyne	
O=S(=O)(c1cccc(F)c1)c1cn([C@@H]2CCNC2)c2ccccc12	ZINC000049033417	EG	Annotated	Anodyne	
O=S(=O)(c1cccc(F)c1)c1cn([C@H]2CCNC2)c2ccccc12	ZINC000049033419	EG	Annotated	Anodyne	
C=CCCC#CC#CC#CCCCCCC[C@@H]1C[C@@H](CO)OC1=O	ZINC000049034105	EG	Annotated	Mild	in-vitro biogenic
COc1cc(C(C)C)ccc(Cn2cc(Cc3ccccc3)nn2)c1=O	ZINC000049035315	EG	Annotated	Anodyne	
CN(C)C(=O)Oc1cccc(-c2cn3c(Cl)cccc3[n+]2C)c1	ZINC000049036569	EG	Annotated	Anodyne	
CN[C@@H](C)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049036935	EG	Annotated	Anodyne	
CN[C@H](C)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049036937	EG	Annotated	Anodyne	
CCc1cn(CS(C)(=O)=O)c(CC)c1Oc1ccc(C#N)cc1	ZINC000049037062	EG	Annotated	Mild	
CNCC[C@H](C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049037124	EG	Annotated	Anodyne	
CNCC[C@@H](C)N1c2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049037126	EG	Annotated	Anodyne	
CCn1c(C(F)(F)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)[nH]c1=O	ZINC000049037273	EG	Annotated	Mild	
CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc(O)cc1	ZINC000049048674	EG	Annotated	Anodyne	
CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc(O)cc1	ZINC000049048678	EG	Annotated	Anodyne	
Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1	ZINC000049052065	EG	Annotated	Anodyne	
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)c1ccccc1	ZINC000049052333	EG	Annotated	Bother	
CNCCC[C@@H]1Cc2ccccc2N(c2ccccc2)S1(=O)=O	ZINC000049052361	EG	Annotated	Anodyne	
CNCCC[C@H]1Cc2ccccc2N(c2ccccc2)S1(=O)=O	ZINC000049052365	EG	Annotated	Anodyne	
CNCCCCN1c2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049053521	EG	Annotated	Anodyne	
Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1	ZINC000049053829	EG	Annotated	Anodyne	
C=C(CC/C=C1\C[C@@H](C=C(C)C)OC1=O)[C@H](O)CCC1=CC(=O)OC1	ZINC000049054172	EG	Annotated	Mild	
C=C(CC/C=C1\C[C@@H](C=C(C)C)OC1=O)[C@@H](O)CCC1=CC(=O)OC1	ZINC000049054175	EG	Annotated	Mild	
C[C@@H](CNC(=O)c1ccccc1O)/N=C/c1c(O)ccc2ccccc12	ZINC000049055453	EG	Annotated	Mild	
C[C@H](CNC(=O)c1ccccc1O)/N=C/c1c(O)ccc2ccccc12	ZINC000049055456	EG	Annotated	Mild	
COc1ccc(N(C)C(=O)c2cnc(-c3ccccc3C)cn2)cn1	ZINC000049066541	EG	Annotated	Anodyne	
CN1CC[C@]2(CCCCCC2=O)[C@]12C(=O)Nc1ccc(Cl)cc12	ZINC000049066555	EG	Annotated	Anodyne	
CN1CC[C@@]2(CCCCCC2=O)[C@]12C(=O)Nc1ccc(Cl)cc12	ZINC000049066557	EG	Annotated	Anodyne	
CO[C@]1(C)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1	ZINC000049066599	EG	Annotated	Reactive	
CCCOC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl	ZINC000049066838	EG	Annotated	Clean	
Cc1cc(C)cc(CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1	ZINC000049066988	EG	Annotated	Anodyne	
CC(=O)N1CCC[C@@]1(Cc1ccsc1)C(=O)OCc1ccccc1	ZINC000049067595	EG	Annotated	Anodyne	
CC(=O)N1CCC[C@]1(Cc1ccsc1)C(=O)OCc1ccccc1	ZINC000049067597	EG	Annotated	Anodyne	
NC/C=C\CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21	ZINC000049067615	EG	Annotated	Anodyne	
NC/C=C\CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21	ZINC000049067617	EG	Annotated	Anodyne	
C#CCn1c(Cc2ccc(F)cc2)nc2sc(C)c(C)c2c1=O	ZINC000049068616	EG	Annotated	Mild	
OC1([C@H](CN2CCNCC2)c2csc(Cl)c2)CCCCC1	ZINC000049070220	EG	Annotated	Anodyne	
OC1([C@@H](CN2CCNCC2)c2csc(Cl)c2)CCCCC1	ZINC000049070223	EG	Annotated	Anodyne	
COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc21	ZINC000049071183	EG	Annotated	Anodyne	
C/C(=N\NC(=S)Nc1cc(C)ccn1)c1ccc([N+](=O)[O-])cc1	ZINC000049071425	EG	Annotated	Mild	
N#Cc1ccc(Nc2nccc(/C(=N\O)c3ccccc3F)n2)cc1	ZINC000049071851	EG	Annotated	Mild	
C[C@@H](/C=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1	ZINC000049072341	EG	Annotated	Clean	
C[C@H](/C=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(F)cc1	ZINC000049072343	EG	Annotated	Clean	
CCN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc(OC)nc1	ZINC000049072355	EG	Annotated	Anodyne	
CN1CCC=C([C@@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1	ZINC000049072574	EG	Annotated	Anodyne	
CN1CCC=C([C@H]2CN(C(=O)c3ccc(C(C)(C)C)cc3)CCO2)C1	ZINC000049072576	EG	Annotated	Anodyne	
CNCCC[C@@H]1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O	ZINC000049072943	EG	Annotated	Anodyne	
CNCCC[C@H]1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O	ZINC000049072944	EG	Annotated	Anodyne	
OC1([C@H](CN2CCNCC2)c2ccsc2Cl)CCCCC1	ZINC000049087546	EG	Annotated	Anodyne	
OC1([C@@H](CN2CCNCC2)c2ccsc2Cl)CCCCC1	ZINC000049087549	EG	Annotated	Anodyne	
N#Cc1ccc(NC(=S)N/N=C/c2ccc3ccccc3n2)cc1	ZINC000049088227	EG	Annotated	Mild	
Cc1ccccc1[C@@H]1CCc2c(C(N)=O)cc3c(nc(C)n3C)c2O1	ZINC000049088458	EG	Annotated	Anodyne	
Cc1ccc(Nc2cnccc2NS(=O)(=O)C(F)(F)F)cc1	ZINC000049089188	EG	Annotated	Anodyne	
CC(C)c1csc(-c2nnc(S)n2/N=C/c2ccccc2O)n1	ZINC000049089533	EG	Annotated	Mild	
CCN1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1	ZINC000049089760	EG	Annotated	Anodyne	
CCN1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1	ZINC000049089761	EG	Annotated	Anodyne	
OC1([C@H](CN2CCNCC2)c2ccc(Cl)s2)CCCCC1	ZINC000049089797	EG	Annotated	Anodyne	
OC1([C@@H](CN2CCNCC2)c2ccc(Cl)s2)CCCCC1	ZINC000049089798	EG	Annotated	Anodyne	
N#Cc1c(-c2ccco2)cc(-c2c(O)c3ccccc3oc2=O)nc1N	ZINC000049089927	EG	Annotated	Mild	
CC(C)=C[C@@H]1OC(=O)[C@H](/C=C/C/C(C)=C/CCC2=CC(=O)OC2)[C@@H]1O	ZINC000049109681	EG	Annotated	Anodyne	
N#Cc1ccc(Nc2nccc(/C(=N\O)c3cccc(F)c3)n2)cc1	ZINC000049110108	EG	Annotated	Mild	
CN(C)C(=O)Oc1ccc(-c2cn3c(Cl)cccc3[n+]2C)cc1	ZINC000049111429	EG	Annotated	Anodyne	
CC(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1	ZINC000049111933	EG	Annotated	Anodyne	
CC(=O)N1CCC[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1	ZINC000049111935	EG	Annotated	Anodyne	
Nc1ccc2sc(NC(=S)NC(=O)c3cccs3)nc2c1	ZINC000049112025	EG	Annotated	Anodyne	
CN(C)/C=C/C(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccccc1	ZINC000049112044	EG	Annotated	Mild	
CO[C@@]1(C)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1	ZINC000049112180	EG	Annotated	Reactive	
CC(C)OC(=O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl	ZINC000049112311	EG	Annotated	Clean	
CCN(C(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(OC)nc1	ZINC000049112590	EG	Annotated	Anodyne	
Cc1ccc(C(=O)NC[C@@H](C)/N=C/c2cc(Cl)ccc2O)c(O)c1	ZINC000049112926	EG	Annotated	Mild	
Cc1ccc(C(=O)NC[C@H](C)/N=C/c2cc(Cl)ccc2O)c(O)c1	ZINC000049112927	EG	Annotated	Mild	
CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1)O2	ZINC000049112931	EG	Annotated	Anodyne	
Clc1ccc2oc3c(N4C[C@@H]5CCCN[C@@H]5C4)ncnc3c2c1	ZINC000049112947	EG	Annotated	Anodyne	
Clc1ccc2oc3c(N4C[C@H]5NCCC[C@@H]5C4)ncnc3c2c1	ZINC000049112948	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1	ZINC000049113033	EG	Annotated	Reactive	
CCOc1ccc([C@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1	ZINC000049113034	EG	Annotated	Reactive	
CCOc1ccc([C@@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1	ZINC000049113035	EG	Annotated	Reactive	
CCOc1ccc([C@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1	ZINC000049113036	EG	Annotated	Reactive	
CNCCC[C@@H]1Cc2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049113081	EG	Annotated	Anodyne	
CNCCC[C@H]1Cc2ccccc2N(c2ccccc2F)S1(=O)=O	ZINC000049113082	EG	Annotated	Anodyne	
NC(N)=NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1	ZINC000049113958	EG	Annotated	Mild	
NC(N)=NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1	ZINC000049113961	EG	Annotated	Mild	
CN1CCN(C[C@@H](c2cccc(Cl)c2)C2(N)CCCCC2)CC1	ZINC000049113998	EG	Annotated	Anodyne	
Nc1cc(OCCN2c3ccccc3C=Cc3ccccc32)nc(N)n1	ZINC000049114126	EG	Annotated	Anodyne	
CCOC(=O)c1cc2c(ccn3cc(C(OCC)OCC)nc23)[nH]1	ZINC000049114642	EG	Annotated	Anodyne	
CCn1nc(C#N)c2c(C)n(-c3c(Cl)cccc3Cl)nc2c1=O	ZINC000049115124	EG	Annotated	Mild	
COc1cc(-n2ncnc2-c2ccc(C)cc2)cc(OC)c1OC	ZINC000049115528	EG	Annotated	Anodyne	
O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1CCC(F)(F)F	ZINC000049116279	EG	Annotated	Anodyne	
CC(C)=C[C@@H]1OC(=O)/C(=C/CC/C(C)=C/CCC2=CC(=O)OC2)[C@@H]1O	ZINC000049124548	EG	Annotated	Anodyne	
CC(C)[C@H](N1CCOCC1)C(O)(c1ccccc1)c1ccccc1	ZINC000049125653	EG	Annotated	Anodyne	in-vivo
CC(C)[C@@H](N1CCOCC1)C(O)(c1ccccc1)c1ccccc1	ZINC000049125657	EG	Annotated	Anodyne	in-vivo
CNC1=Nc2ncccc2C(c2ccns2)=N[C@@H]1c1cccs1	ZINC000049552078	EG	Annotated	Anodyne	
CNC1=Nc2ncccc2C(c2ccns2)=N[C@H]1c1cccs1	ZINC000049552079	EG	Annotated	Anodyne	
C/C=C/C=C/C(O)=C1\C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1C[C@@H]2OCCCC	ZINC000049573648	EG	Annotated	Mild	
COc1ccc2c(c1)C(=O)c1nccc3c(O)c(OC)c(OC)c-2c13	ZINC000049583183	EG	Annotated	Anodyne	
N#C/C=C1/c2ccccc2N=C(N2CCC(O)CC2)c2ccccc21	ZINC000049649406	EG	Annotated	Reactive	
C[C@]1(CC(=O)NCc2ccc(C(=O)O)cc2)CC2(CCCCC2)OO1	ZINC000049709405	EG	Annotated	Reactive	
C[C@@]1(CC(=O)NCc2ccc(C(=O)O)cc2)CC2(CCCCC2)OO1	ZINC000049709406	EG	Annotated	Reactive	
C=CCNC(=O)c1ccc2c(c1)N=CN(CCOc1ccccc1)C2	ZINC000049710650	EG	Annotated	Mild	
C[C@]1(CC(=O)NCc2ccc3c(c2)OCC3)CC2(CCCCC2)OO1	ZINC000049745191	EG	Annotated	Reactive	
C[C@@]1(CC(=O)NCc2ccc3c(c2)OCC3)CC2(CCCCC2)OO1	ZINC000049745193	EG	Annotated	Reactive	
CC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	ZINC000049762218	EG	Annotated	Reactive	
COc1ccc(C2=C(c3ccc(SC)cc3)C(=O)OC2=O)cc1	ZINC000049771486	EG	Annotated	Reactive	
COc1cc(-n2ncnc2-c2ccc(F)cc2)cc(OC)c1OC	ZINC000049784299	EG	Annotated	Anodyne	
COc1cc(-n2ncnc2-c2cccc(F)c2)cc(OC)c1OC	ZINC000049784404	EG	Annotated	Anodyne	
Cn1cc2c(NC(=O)c3ccccc3)nc(-c3ccccc3)nc2n1	ZINC000049784879	EG	Annotated	Anodyne	
COc1cc(-c2ncnn2-c2cccc(F)c2)cc(OC)c1OC	ZINC000049784886	EG	Annotated	Anodyne	
Cc1ccc([C@H]2NC(=N)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1	ZINC000049785373	EG	Annotated	Anodyne	
Cc1ccc([C@@H]2NC(=N)N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1	ZINC000049785374	EG	Annotated	Anodyne	
O=C(NC[C@@H]1CCCNC1)c1ccccc1-c1nc(Cl)cs1	ZINC000049785616	EG	Annotated	Anodyne	
O=C(NC[C@H]1CCCNC1)c1ccccc1-c1nc(Cl)cs1	ZINC000049785617	EG	Annotated	Anodyne	
CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31	ZINC000049785827	EG	Annotated	Anodyne	in-vivo
CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31	ZINC000049785828	EG	Annotated	Anodyne	in-vivo
CC1(C)Oc2ccc3c(c2C[C@H]1O)O[C@@H]1c2ccc(O)cc2OC[C@H]31	ZINC000049785829	EG	Annotated	Anodyne	in-vivo
CC1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@@H]1c2ccc(O)cc2OC[C@H]31	ZINC000049785830	EG	Annotated	Anodyne	in-vivo
O=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3F	ZINC000049793833	EG	Annotated	Reactive	
CCn1ncc2c(Cl)c(C(=O)NCc3cccc(C)c3)cnc21	ZINC000049793885	EG	Annotated	Anodyne	
COc1cccc2cc3c(cc12)[C@]1(C)CC[C@H](O)[C@@H]2COC(=C21)C3=O	ZINC000049802924	EG	Annotated	Mild	
COc1ccc(COc2ncnc(-c3ccco3)c2[N+](=O)[O-])cc1	ZINC000049803299	EG	Annotated	Bother	
COc1cc2c(cc1OC)C(=O)N1C=C(c3cccc(N)c3)C[C@H]1C=N2	ZINC000049803529	EG	Annotated	Anodyne	
COc1ccc(CN(C)c2ncnc(-c3ccco3)c2[N+](=O)[O-])cc1	ZINC000049803595	EG	Annotated	Bother	
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccncc3)C[C@H]1C=N2	ZINC000049803736	EG	Annotated	Anodyne	
OCCOc1ncc(/C=C\c2ccc(O)cc2)cc1Br	ZINC000049803787	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(N)cc3)C[C@H]1C=N2	ZINC000049807887	EG	Annotated	Anodyne	
COc1ccc(CNc2nc(F)nc(-c3ccco3)c2NC=O)cc1	ZINC000049808043	EG	Annotated	Anodyne	
COc1ccc(CNc2nc(C)nc(-c3ccco3)c2NC=O)cc1	ZINC000049808158	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)C(=O)N1C=C(c3cccnc3)C[C@H]1C=N2	ZINC000049808578	EG	Annotated	Anodyne	
NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)NC(=O)CS2	ZINC000049820575	EG	Annotated	Bother	
F[C@@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000049832252	EG	Annotated	Anodyne	
F[C@@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000049832255	EG	Annotated	Anodyne	
F[C@@H]1CCN[C@@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000049832257	EG	Annotated	Anodyne	
F[C@@H]1CCN[C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000049832259	EG	Annotated	Anodyne	
CC(C)C1=C(O)C(=O)C2=C(C=C[C@@]3(O)C(C)(C)CCC[C@]23C)C1=O	ZINC000049872404	EG	Annotated	Mild	 
CC(C)C1=C(O)C(=O)C2=C(C=C[C@]3(O)C(C)(C)CCC[C@]23C)C1=O	ZINC000049872405	EG	Annotated	Mild	 
Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c2ccccc2)c1	ZINC000000551046	EG	Annotated	Reactive	 
Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@H]2c2ccccc2)c1	ZINC000000551047	EG	Annotated	Reactive	 
COc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1	ZINC000000763075	EG	Annotated	Anodyne	
COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1	ZINC000000763076	EG	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2	ZINC000000763141	EG	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2	ZINC000000763142	EG	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2	ZINC000000763143	EG	Annotated	Anodyne	
NC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2	ZINC000000763144	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N(C)C)cc1	ZINC000000767690	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)N(C)C	ZINC000000771534	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)N(C)C	ZINC000000771536	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N(C)C	ZINC000000771723	EG	Annotated	Anodyne	
CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N(C)C	ZINC000000771725	EG	Annotated	Anodyne	
CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1	ZINC000000773601	EG	Annotated	Anodyne	
CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccoc1	ZINC000000773602	EG	Annotated	Anodyne	
CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1	ZINC000000775187	EG	Annotated	Anodyne	
CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccoc1	ZINC000000775188	EG	Annotated	Anodyne	
CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@H]1CCCC[C@H]1O	ZINC000000775584	EG	Annotated	Anodyne	
CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@@H]1CCCC[C@H]1O	ZINC000000775585	EG	Annotated	Anodyne	
CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@H]1CCCC[C@@H]1O	ZINC000000775586	EG	Annotated	Anodyne	
CC(C)(C)c1noc(-c2ccoc2)c1C(=O)N[C@@H]1CCCC[C@@H]1O	ZINC000000775587	EG	Annotated	Anodyne	
CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1	ZINC000000775764	EG	Annotated	Anodyne	
CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1	ZINC000000775765	EG	Annotated	Anodyne	
CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1	ZINC000000775766	EG	Annotated	Anodyne	
CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccoc1	ZINC000000775767	EG	Annotated	Anodyne	
CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC	ZINC000000775792	EG	Annotated	Anodyne	
CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1OC	ZINC000000775793	EG	Annotated	Anodyne	
CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1	ZINC000000775814	EG	Annotated	Anodyne	
CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccsc1	ZINC000000775871	EG	Annotated	Anodyne	
COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2C)c1OC	ZINC000000775881	EG	Annotated	Anodyne	
COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2C)cc(OC)c1	ZINC000000775883	EG	Annotated	Anodyne	
C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000000896026	EG	Annotated	Mild	in-man
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O	ZINC000000897714	EG	Annotated	Anodyne	in-man metabolite
Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3	ZINC000000900926	EG	Annotated	Bother	in-vitro biogenic
CCc1nn2c(NCCCO)cc(C)nc2c1-c1ccc(F)cc1	ZINC000005000323	EG	Annotated	Anodyne	 
CCCN1Cc2cccc(C(=O)NCCc3cccc(C)c3)c2C1=O	ZINC000005005850	EG	Annotated	Anodyne	 
Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)sc2n1	ZINC000005036184	EG	Annotated	Anodyne	 
Cc1cc(C)c2c(=O)n(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)sc2n1	ZINC000005036187	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCC(C)C)o2)cc1	ZINC000005042486	EG	Annotated	Anodyne	 
O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21	ZINC000005055199	EG	Annotated	Anodyne	
CC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O	ZINC000005058801	EG	Annotated	Anodyne	
C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1	ZINC000005070898	EG	Annotated	Mild	 
CCc1cccc(NC(=O)Cn2c(C(=O)OC)cc3occc32)c1	ZINC000005084466	EG	Annotated	Anodyne	aggregator
COC(=O)c1cc2occc2n1CC(=O)Nc1cccc(SC)c1	ZINC000005084472	EG	Annotated	Anodyne	aggregator
CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1	ZINC000005085611	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1	ZINC000005085625	EG	Annotated	Anodyne	 
N/C(Cc1cccc2ccccc12)=N\OC(=O)COc1ccccc1	ZINC000005092237	EG	Annotated	Mild	 
CCCc1n[nH]c2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	ZINC000005095133	EG	Annotated	Reactive	 
CCCc1n[nH]c2c1[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	ZINC000005095134	EG	Annotated	Reactive	 
COc1ccc(/C=C/C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1	ZINC000005113562	EG	Annotated	Anodyne	 
COc1ccc(NCC(=O)N/N=C(\C)c2cc3ccccc3o2)cc1	ZINC000005119798	EG	Annotated	Reactive	 
CCN1CCN(c2cc(SC)nc(-c3ccc(OC)cc3)n2)CC1	ZINC000005126526	EG	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2	ZINC000005134285	EG	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2	ZINC000005134317	EG	Annotated	Anodyne	
C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2	ZINC000005134340	EG	Annotated	Anodyne	
C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2	ZINC000005134361	EG	Annotated	Anodyne	
Cn1c(C(=O)NCc2ccccc2Br)cc2occc21	ZINC000005135173	EG	Annotated	Anodyne	 
CCOC(=O)c1cc(Br)c(N)c(CN(CC)CC)c1	ZINC000005139356	EG	Annotated	Anodyne	
O=C(Cn1cc2c(n1)CCCCC2)Nc1c(F)c(F)cc(F)c1F	ZINC000005148826	EG	Annotated	Anodyne	 
Cc1cnc(NC[C@@H](C)CN(C)C)c2c3cc(O)ccc3n(C)c12	ZINC000005161434	EG	Annotated	Anodyne	
Cc1cnc(NC[C@H](C)CN(C)C)c2c3cc(O)ccc3n(C)c12	ZINC000005161436	EG	Annotated	Anodyne	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1	ZINC000005164208	EG	Annotated	Reactive	 
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)s1	ZINC000005164210	EG	Annotated	Reactive	 
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2o1	ZINC000005164233	EG	Annotated	Reactive	 
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2o1	ZINC000005164235	EG	Annotated	Reactive	 
C/C(=N\NC(=O)COc1ccccc1F)c1cc2ccccc2o1	ZINC000005164463	EG	Annotated	Reactive	 
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccco1	ZINC000005169711	EG	Annotated	Anodyne	 
COc1ccc(OC)c(/N=C2\SCC(=O)N2Cc2ccccc2)c1	ZINC000005171448	EG	Annotated	Mild	 
O=C(OCc1nc2ccsc2c(=O)[nH]1)c1ccc(Cl)s1	ZINC000005172865	EG	Annotated	Anodyne	 
C[C@H](NC(=O)c1cccnc1)c1cc2c(cc1Cl)OCCCO2	ZINC000005175788	EG	Annotated	Anodyne	
C[C@@H](NC(=O)c1cccnc1)c1cc2c(cc1Cl)OCCCO2	ZINC000005175789	EG	Annotated	Anodyne	
COC(=O)C1CCN(c2csc3ccc(Cl)cc3c2=O)CC1	ZINC000005202480	EG	Annotated	Anodyne	 
Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C21CC1	ZINC000005205474	EG	Annotated	Anodyne	
Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C21CC1	ZINC000005205477	EG	Annotated	Anodyne	
C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000005369090	EG	Annotated	Anodyne	 
C[C@H]1C[C@@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@H](c1ccoc1)OC2=O	ZINC000005369093	EG	Annotated	Anodyne	in-vitro biogenic
COc1c2ccoc2nc2c(OC)c(OC/C=C(\C)CO)ccc12	ZINC000005380776	EG	Annotated	Anodyne	 
CC(=O)/C(=N\c1cccc(Cl)c1)NNc1ccccc1[N+](=O)[O-]	ZINC000005382952	EG	Annotated	Mild	
CC(C)C1=CC2=C(C(=O)C1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O	ZINC000005395843	EG	Annotated	Mild	
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@H]12	ZINC000005439422	EG	Annotated	Reactive	 
COc1cc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc(OC)c1	ZINC000005446103	EG	Annotated	Anodyne	 
N#C/C(=N\Nc1cccc2ccccc12)c1nnc2n1CCCCC2	ZINC000005447048	EG	Annotated	Mild	 
COC(=O)C1=CO[C@H](C)[C@H]2Cn3ccc4c5ccccc5nc-4c3C[C@@H]12	ZINC000005487275	EG	Annotated	Anodyne	 
CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@@H]12	ZINC000005499729	EG	Annotated	Bother	
CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@@H]12	ZINC000005499738	EG	Annotated	Bother	
CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@H]12	ZINC000005499745	EG	Annotated	Bother	
CCOC(=O)[C@H]1Nc2c(cccc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@H]12	ZINC000005499752	EG	Annotated	Bother	
CCO[C@]12SC(Nc3ccc(C)cc3)=NN1C(=S)N(C)N=C2C	ZINC000005499853	EG	Annotated	Anodyne	
CCO[C@@]12SC(Nc3ccc(C)cc3)=NN1C(=S)N(C)N=C2C	ZINC000005499861	EG	Annotated	Anodyne	
C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1	ZINC000523041435	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@H](CO)[C@H]3O	ZINC000523041493	EG	Annotated	Anodyne	
CC[C@H](C)C(=O)O[C@@H]1[C@]2(CC3=CCC[C@H](C)[C@]31C)C(=O)O[C@@H]1O[C@@]12C	ZINC000523041728	EG	Annotated	Anodyne	biogenic
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	ZINC000523041739	EG	Annotated	Mild	
CC(C)=CCC(=O)/C(C)=C/CC[C@]1(CO)O[C@@H]1CC/C(C)=C\CO	ZINC000523042414	EG	Annotated	Mild	
CC(C)=CCC(=O)/C(C)=C/CC[C@@]1(CO)O[C@H]1CC/C(C)=C\CO	ZINC000523042415	EG	Annotated	Mild	
CC(C)=CCC(=O)/C(C)=C/CC[C@@]1(CO)O[C@@H]1CC/C(C)=C\CO	ZINC000523042416	EG	Annotated	Mild	
C[C@@]1(C(=O)O)CCC[C@@]2(C)C3=C[C@@H](O)[C@@H]4C[C@@]3(CC[C@H]12)C[C@]41CO1	ZINC000525915056	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)[C@H]3O	ZINC000525915155	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@H](CO)[C@@H]3O	ZINC000525915156	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)[C@@H]3O	ZINC000525915157	EG	Annotated	Anodyne	
CC(C)=CCC/C(=C\CC/C(=C/CC/C(=C\CO)CO)CO)CO	ZINC000525915242	EG	Annotated	Anodyne	
C/C(=C/CC/C(=C/CC/C(C)=C/CC/C(=C\CO)CO)CO)CO	ZINC000525915274	EG	Annotated	Anodyne	
CC(=O)c1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@H](C)C(=O)C3(C)C	ZINC000053186831	EG	Annotated	Anodyne	
CC(C)OC(=O)N/N=c1\sc2cc(OC(F)(F)F)ccc2n1C	ZINC000053193464	EG	Annotated	Reactive	
C=C1C[C@@]2(C(=O)Nc3ccc(Br)cc3)C=CC(=O)[C@@H]1C2	ZINC000053229662	EG	Annotated	Mild	
O=C(c1c2c(c3ccccn13)C(=O)N(c1ccccc1)C2=O)C1CC1	ZINC000053229932	EG	Annotated	Anodyne	
CCOC(=O)c1c(C(=O)OCC)c2cc(C)ccn2c1C(=O)C1CC1	ZINC000053230929	EG	Annotated	Anodyne	
COC(=O)c1cc(C(=O)C2CC2)n2c(C)ccc(Br)c12	ZINC000053242702	EG	Annotated	Anodyne	
C[C@@H]1CO[C@]2(C)Oc3c(c(O)cc4c3C[C@@H]3[C@@H](C)CO[C@@]3(C)O4)C[C@@H]12	ZINC000053293968	EG	Annotated	Anodyne	
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@H](N(C)C)C1	ZINC000053295506	EG	Annotated	Mild	
O=C(NCc1ccccc1O)c1cc(C(=O)c2ccccc2F)c[nH]1	ZINC000053295894	EG	Annotated	Clean	
CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(C(C)C)CC2)O1	ZINC000053297650	EG	Annotated	Anodyne	
COc1cc(OC)c2c(c1)O/C(=C\c1ccc(N(C)C)cc1)C2=O	ZINC000053312708	EG	Annotated	Mild	
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[C@@H](N(C)C)C1	ZINC000053312949	EG	Annotated	Mild	
OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@H](O)CCC2	ZINC000053313775	EG	Annotated	Anodyne	
OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@@H](O)CCC2	ZINC000053313779	EG	Annotated	Anodyne	
CC[C@@]12C=C(C(=O)OC)N3c4ccccc4[C@@H]4CCN(CCC1)[C@@H]2[C@H]43	ZINC000005500000	EG	Annotated	Anodyne	 
N#Cc1c(N2CC[C@H](O)C2)c2ccccc2n2c1nc1ccccc12	ZINC000005543722	EG	Annotated	Mild	
CCOC(=O)c1c[nH]c2c(Sc3ccccc3)nccc2c1=O	ZINC000005544004	EG	Annotated	Anodyne	
COc1ccccc1OCCN1C(=O)S/C(=C\c2ccco2)C1=O	ZINC000005559191	EG	Annotated	Anodyne	 
COc1cccc(/C=N/C[C@@H](C)/N=C/c2cccc(OC)c2O)c1O	ZINC000005560077	EG	Annotated	Mild	 
CCO[C@H]1O[C@@H]2CC=C3CCN(C)[C@H]3[C@@H]2c2cc(OC)c(OC)cc21	ZINC000005576093	EG	Annotated	Anodyne	
CN1C(=O)[C@H]2c3c([nH]c4ccccc34)[C@H]3Nc4ccccc4[C@H]3[C@H]2C1=O	ZINC000005581712	EG	Annotated	Anodyne	
C/C(Cc1ccc2c(c1)OCO2)=N\N=c1\sc2ccccc2n1C	ZINC000005596281	EG	Annotated	Mild	 
CC#Cc1c(C#CC)c(OC)c2c(c1OC)C(=O)c1ccccc1C2=O	ZINC000005601280	EG	Annotated	Mild	
CO[C@H]1[C@@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O	ZINC000005602192	EG	Annotated	Anodyne	
CO[C@H]1[C@H](OC(=S)Nc2ccccc2)c2ccccc2N1C(C)=O	ZINC000005602197	EG	Annotated	Anodyne	
Cc1[nH]nc2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21	ZINC000005634715	EG	Annotated	Reactive	 
CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@@H]2N	ZINC000005649041	EG	Annotated	Clean	in-man
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cc(O)ccc1N	ZINC000005658835	EG	Annotated	Anodyne	 
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1cc(O)ccc1N	ZINC000005658842	EG	Annotated	Anodyne	 
COC(=O)[C@H](CC(=O)c1ccccc1)c1ccccc1NC(C)=O	ZINC000005663705	EG	Annotated	Anodyne	
CCc1nnc(/N=C/c2c(C)nn(-c3ccc(F)cc3)c2O)s1	ZINC000005686841	EG	Annotated	Mild	 
COC1(OC)CCCC[C@@H]2c3cccc(OC(C)=O)c3[C@]21OC(C)=O	ZINC000005712435	EG	Annotated	Anodyne	
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(F)cc1	ZINC000005730149	EG	Annotated	Bother	 
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(F)cc1	ZINC000005730152	EG	Annotated	Bother	 
Cc1ccc([C@@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1	ZINC000005730541	EG	Annotated	Bother	 
Cc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1	ZINC000005730544	EG	Annotated	Bother	 
Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2scc(-c3ccccc3)n12	ZINC000005731528	EG	Annotated	Mild	 
CCN1CCN=C2c3cc(OC)ccc3Nc3c([N+](=O)[O-])ccc1c32	ZINC000005733911	EG	Annotated	Clean	
Cc1ccc(NC(=O)/C=N/OCC(=O)Nc2cc(C)cc(C)c2)cc1	ZINC000005752649	EG	Annotated	Mild	 
C=CC(C)(C)c1c(O)c(/C=C/C(=O)O)c(O)c2c1OC(C)(C)CC2=O	ZINC000005762112	EG	Annotated	Mild	 
C/C(=C\CC[C@H](C)C1=CC[C@@]2(C)OC3=C(C[C@H]12)C(=O)CC[C@H]3O)CO	ZINC000005762711	EG	Annotated	Mild	 
C/C1=C\CC[C@]2(C)O[C@@H]3C[C@@H](C)[C@](C)(CC1)C1=C3[C@](O)(OC1)[C@H]2O	ZINC000005763827	EG	Annotated	Anodyne	 
CC(C)=C[C@@H]1C[C@H](C)[C@H]2CC[C@H](C)[C@@]3(O)C(=O)C(O)=C(C)C(=O)[C@]123	ZINC000005800965	EG	Annotated	Mild	
CCOC(=O)c1cccc(/N=N/c2ncc(/C=C/C(=O)OC)[nH]2)c1	ZINC000005801089	EG	Annotated	Clean	
CCOC(=O)c1cccc(/N=N/c2nc[nH]c2/C=C/C(=O)OC)c1	ZINC000005801091	EG	Annotated	Clean	
Cc1nnc2n1N=C(c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)CS2	ZINC000005807972	EG	Annotated	Bother	
COc1ccc([C@H]2Cc3cc(OC)c(OC)c(OC)c3C2=O)cc1	ZINC000005808616	EG	Annotated	Anodyne	
C[C@H]1CC[C@]23COC(=O)[C@@H]2[C@H](O)CC[C@@H]3[C@]1(C)C[C@H](O)c1ccoc1	ZINC000005808750	EG	Annotated	Anodyne	 
O=C1C2=C(c3ccccc31)[C@H](c1ccccc1)N1C(=O)CSC1=N2	ZINC000005809392	EG	Annotated	Mild	
C=C1C(=O)[C@]23CC[C@@H]4[C@@](C)(C(=O)OC)CCC[C@]4(C)[C@@H]2CC[C@@]1(O)C3	ZINC000005810065	EG	Annotated	Mild	
O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@@H]3CC4(CC[C@@H]3CN12)OCCO4	ZINC000005810173	EG	Annotated	Anodyne	 
O=C1O[C@@H](c2ccccc2)[C@@H]2C[C@H]3CC4(CC[C@@H]3CN12)OCCO4	ZINC000005810178	EG	Annotated	Anodyne	 
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O	ZINC000005811786	EG	Annotated	Mild	
Cc1ccc2c(c1)[nH]c(=S)n2CNc1ccc(C(=O)O)c(O)c1	ZINC000005813015	EG	Annotated	Anodyne	 
O=C1c2cc(Cl)ccc2N=C(NC2CCCC2)[C@H]2CSCN12	ZINC000005822915	EG	Annotated	Anodyne	
C[C@]12OC[C@H](c3ccccc3)N1C(=O)[C@@H]1[C@H]2CC12SCCS2	ZINC000005823170	EG	Annotated	Anodyne	
Cc1ccccc1NC(=O)CSCc1nc2ccsc2c(=O)[nH]1	ZINC000005827036	EG	Annotated	Anodyne	 
CC(=O)O[C@H]1C/C(C)=C\CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@@H]1C(C)C	ZINC000005831742	EG	Annotated	Anodyne	
CC(C)(C)Nc1cc2c(cc1N)c(=O)c(C(=O)O)cn2C(C)(C)C	ZINC000005833879	EG	Annotated	Anodyne	
O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl	ZINC000005838458	EG	Annotated	Reactive	
O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl	ZINC000005838466	EG	Annotated	Reactive	
CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@H]1C(=O)c1ccco1	ZINC000005838539	EG	Annotated	Clean	
CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1C(=O)c1ccco1	ZINC000005838582	EG	Annotated	Clean	
CN(CC(=O)O)c1ncc2c(n1)-c1ccccc1O[C@@H]2c1ccccc1	ZINC000005839181	EG	Annotated	Anodyne	
C[C@@H]1[C@H](O)CC2=C(CC[C@@H](O)C2(C)C)[C@@]1(CO)CCc1ccoc1	ZINC000005839650	EG	Annotated	Anodyne	
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccc(N)cc3)nc21	ZINC000005841870	EG	Annotated	Anodyne	
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cccc(N)c3)nc21	ZINC000005841917	EG	Annotated	Anodyne	
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3ccccn3)nc21	ZINC000005841959	EG	Annotated	Anodyne	
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3cncs3)nc21	ZINC000005842019	EG	Annotated	Anodyne	
COc1ccccc1/C=C1\C(=O)N(C(=O)Cc2ccccc2)N=C1C	ZINC000005842876	EG	Annotated	Clean	
COc1cccc(/C=C2\C(=O)N(C(=O)Cc3ccccc3)N=C2C)c1	ZINC000005842879	EG	Annotated	Clean	
CCOC(=O)[C@H](C)c1nc2cc3cccnc3c(Cl)c2nc1O	ZINC000005844403	EG	Annotated	Bother	
CCc1cc(CCCN2C(=O)c3ccccc3C2=O)c(OC)nc1C	ZINC000005847571	EG	Annotated	Anodyne	
COC(OC)c1cccc2c1C(=O)CC[C@@]1(O)c3ccccc3[C@@H]1C2	ZINC000005847709	EG	Annotated	Anodyne	
C=C1C(=O)[C@@]23CC[C@@H]4[C@](C)(C(=O)OC)CCC[C@@]4(C)[C@@H]2[C@@H](O)C[C@@H]1C3	ZINC000005849321	EG	Annotated	Mild	 
CN1C(=O)c2cccnc2N(C2CC2)c2nc(-c3ccncc3)ccc21	ZINC000005851658	EG	Annotated	Anodyne	
C=CCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21	ZINC000005852497	EG	Annotated	Mild	 
COc1cc([S@@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1	ZINC000005853302	EG	Annotated	Mild	
COc1cc([S@](=O)c2cccc(N)c2C#N)cc(C(F)(F)F)c1	ZINC000005853310	EG	Annotated	Mild	
COc1ccc2c(c1)[C@@](C#Cc1ccccn1)(C(F)(F)F)NC(=O)N2	ZINC000005854504	EG	Annotated	Mild	
COc1ccc2c(c1)[C@](C#Cc1ccccn1)(C(F)(F)F)NC(=O)N2	ZINC000005854509	EG	Annotated	Mild	
CC(=O)N1N=C(c2c(O)ccc3ccccc23)C[C@@H]1C(=O)c1ccco1	ZINC000005855418	EG	Annotated	Clean	
CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1C(=O)c1ccco1	ZINC000005855429	EG	Annotated	Clean	
CC(=O)O[C@@H]1[C@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000005857687	EG	Annotated	Clean	
CC(=O)O[C@@H]1[C@@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000005857734	EG	Annotated	Clean	
CC(=O)O[C@H]1[C@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000005858237	EG	Annotated	Clean	
CC(=O)O[C@H]1[C@@H](N=[N+]=[N-])c2c(ccc3ccc(=O)oc23)OC1(C)C	ZINC000005858283	EG	Annotated	Clean	
C/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1	ZINC000005861808	EG	Annotated	Mild	 
C/C(=N\NC(=O)C1CC1)c1ccc(OC(F)F)cc1OC(F)F	ZINC000005862936	EG	Annotated	Reactive	 
C=CCN1C(=O)C(c2c(O)n(CCCC)c3ccccc23)=NC1=S	ZINC000005869764	EG	Annotated	Anodyne	 
CCc1c(C)[nH]c(=O)c(N2CCOCC2)c1Cc1cc(C)cc(C)c1	ZINC000005886219	EG	Annotated	Anodyne	
CCc1c(C)[nH]c(=O)c(N(C)CCOC)c1Cc1cccc(C)c1	ZINC000005886429	EG	Annotated	Anodyne	in-vivo
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1CCC(=O)N2	ZINC000005890148	EG	Annotated	Anodyne	
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)C(=C)CC/C=C(\C)CCC[C@H](C)[C@H]2O	ZINC000005922176	EG	Annotated	Mild	 
CC(=O)[C@H]1[C@@H](OCc2ccccc2)O[N+]([O-])=C(C)[C@@H]1c1ccccc1	ZINC000005923764	EG	Annotated	Anodyne	
C[C@H](N[C@H]1CCC[C@]1(O)C#Cc1ccc2c(c1)OCO2)c1ccccc1	ZINC000005924632	EG	Annotated	Mild	
C[C@@H](NC(=O)N1C(=O)C[C@H]1SCc1ccncc1)c1ccccc1	ZINC000005929928	EG	Annotated	Anodyne	
C[C@@H](NC(=O)N1C(=O)C[C@@H]1SCc1ccncc1)c1ccccc1	ZINC000005929934	EG	Annotated	Anodyne	
Cc1cc(C)cc(Cc2nc(N)nc(Nc3ccc(C#N)cc3)n2)c1	ZINC000005930678	EG	Annotated	Mild	
Cc1cc2c(cc1C)N(C)S(=O)(=O)c1cccnc1N2C(C)C	ZINC000005930813	EG	Annotated	Anodyne	
OCCOCn1c(Br)nc2c(Cl)cc(Cl)cc21	ZINC000005932744	EG	Annotated	Anodyne	
OCCOCn1c(Br)nc2cc(Cl)c(Cl)cc21	ZINC000005932801	EG	Annotated	Anodyne	
OCCOCn1c(Br)nc2c(Cl)c(Cl)ccc21	ZINC000005932933	EG	Annotated	Anodyne	
O=C1C=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)c2scnc21	ZINC000005933372	EG	Annotated	Mild	
N#Cc1ccc(Nc2nc(N)nc(Cc3ccccc3Cl)n2)cc1	ZINC000005933917	EG	Annotated	Mild	
O=C1Nc2ccc(F)cc2[C@](C#Cc2ccccn2)(C(F)(F)F)N1	ZINC000005940552	EG	Annotated	Mild	
O=C1Nc2ccc(F)cc2[C@@](C#Cc2ccccn2)(C(F)(F)F)N1	ZINC000005940574	EG	Annotated	Mild	
Cc1cc(O)c(C2=NCCS[C@H](c3ccc(F)cc3)C2)c(=O)o1	ZINC000005956907	EG	Annotated	Anodyne	
Cc1cc(O)c(C2=NCCS[C@@H](c3ccc(F)cc3)C2)c(=O)o1	ZINC000005956919	EG	Annotated	Anodyne	
CC(C)C#C[C@@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21	ZINC000005962450	EG	Annotated	Mild	
CC(C)C#C[C@]1(C(C)C)NS(=O)(=O)Nc2ccc(Cl)cc21	ZINC000005962457	EG	Annotated	Mild	
CC1(C)CN(C[C@@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)C=N1	ZINC000005963658	EG	Annotated	Anodyne	
CC1(C)CN(C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)C=N1	ZINC000005963659	EG	Annotated	Anodyne	
CC1=NCCN1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000005964568	EG	Annotated	Anodyne	
CC1=NCCN1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1	ZINC000005964569	EG	Annotated	Anodyne	
CCCCOn1c(Sc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O	ZINC000005973732	EG	Annotated	Anodyne	
Nc1nc(N)c2c(n1)CC[C@@H](CNc1cc(Cl)ccc1Cl)C2	ZINC000005973980	EG	Annotated	Anodyne	
Oc1nc(SCc2ccc(F)cc2C(F)(F)F)c2ncnc-2[nH]1	ZINC000005973985	EG	Annotated	Anodyne	
CCCc1ncc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)cn1	ZINC000055211475	EG	Annotated	Anodyne	 
CCCc1ncc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)cn1	ZINC000055211476	EG	Annotated	Anodyne	 
Cc1ncc(CN2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1	ZINC000055382895	EG	Annotated	Anodyne	 
Cc1ncc(CN2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1	ZINC000055382899	EG	Annotated	Anodyne	 
C[C@@H]1CN(c2ccccc2)CCN1Cc1nc(Cc2ccccc2)no1	ZINC000055569075	EG	Annotated	Anodyne	 
C[C@H]1CN(c2ccccc2)CCN1Cc1nc(Cc2ccccc2)no1	ZINC000055569076	EG	Annotated	Anodyne	 
CC(C)(C)n1nnnc1CN(Cc1ccc(F)cc1)Cc1ccco1	ZINC000056686523	EG	Annotated	Anodyne	 
COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@H]3CCCN32)cc1	ZINC000057011016	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)[C@H]3CCCN23)cc1	ZINC000057011017	EG	Annotated	Anodyne	 
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc[nH]1	ZINC000057453997	EG	Annotated	Reactive	
CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1	ZINC000057669677	EG	Annotated	Anodyne	 
CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1	ZINC000057669678	EG	Annotated	Anodyne	 
CC(C)(C)n1nnnc1[C@@H](c1cccc(C#N)c1)N1CCCCCC1	ZINC000057710767	EG	Annotated	Mild	 
CC(C)(C)n1nnnc1[C@H](c1cccc(C#N)c1)N1CCCCCC1	ZINC000057710768	EG	Annotated	Mild	 
COc1cccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(F)cc2)c1	ZINC000058046104	EG	Annotated	Anodyne	 
COc1cccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(F)cc2)c1	ZINC000058046106	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccccc2F)cc1	ZINC000058046200	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccccc2F)cc1	ZINC000058046201	EG	Annotated	Anodyne	 
CCOc1ccccc1[C@H]1N(c2nccs2)C(=O)[C@H]2CCCN21	ZINC000058047265	EG	Annotated	Anodyne	 
CCOc1ccccc1[C@@H]1N(c2nccs2)C(=O)[C@H]2CCCN12	ZINC000058047270	EG	Annotated	Anodyne	 
CN(C)c1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN32)cc1	ZINC000058047317	EG	Annotated	Clean	 
CN(C)c1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN23)cc1	ZINC000058047324	EG	Annotated	Clean	 
COc1ccc([C@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN32)cc1	ZINC000058047368	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2N(c3ccc(F)cc3)C(=O)[C@H]3CCCN23)cc1	ZINC000058047369	EG	Annotated	Anodyne	 
COc1ccccc1[C@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN21	ZINC000058047370	EG	Annotated	Anodyne	 
COc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@H]2CCCN12	ZINC000058047371	EG	Annotated	Anodyne	 
COc1ccc(COC[C@H](O)C/N=C(\O)CC2CCCCC2)cc1	ZINC000058363825	EG	Annotated	Mild	 
COc1ccc(COC[C@@H](O)C/N=C(\O)CC2CCCCC2)cc1	ZINC000058363828	EG	Annotated	Mild	 
Cc1ccc(C2=C(CCC(=O)O)[C@@H](c3ccco3)NC(=S)N2)cc1	ZINC000058487766	EG	Annotated	Anodyne	
O=C(O)CCC1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccco1	ZINC000058493982	EG	Annotated	Anodyne	
C=C(C(=O)c1c(OC)cc2c(c1OC)OCO2)c1ccccc1O	ZINC000584879798	EG	Annotated	Mild	
Cc1ccc([C@@H](C)N=c2c(C(N)=O)c[nH]c3ccc(C#N)cc23)cc1	ZINC000584904638	EG	Annotated	Mild	
C/C=C/Cn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O	ZINC000584904833	EG	Annotated	Anodyne	
O=C(c1cccc(-c2cccc(O)c2F)n1)c1ccc(F)c(O)c1O	ZINC000584904869	EG	Annotated	Clean	
N=c1[nH][nH]c2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc12	ZINC000584904889	EG	Annotated	Anodyne	
Cc1cc(-c2nc(O)c3c4c(sc3n2)CN(C)CC4)cc(C)c1O	ZINC000584905153	EG	Annotated	Anodyne	
CCN(Cc1cc(=O)n2c3c(sc2n1)CCC3)c1ccc(F)cc1	ZINC000584905278	EG	Annotated	Anodyne	
O=C(c1cccc(-c2cccc(O)c2F)n1)c1cccc(O)c1O	ZINC000584905288	EG	Annotated	Clean	
C=CCCn1cc(-c2cccc(C(=O)N(C)C)c2)c2cc[nH]c2c1=O	ZINC000584905321	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](C)(O)C3	ZINC000584905379	EG	Annotated	Anodyne	
O=S1(=O)C=C(c2ccc(O)cc2F)C(c2ccc(O)cc2F)=C1	ZINC000584905413	EG	Annotated	Anodyne	
N#Cc1c(-c2cccs2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]	ZINC000058512584	EG	Annotated	Mild	
N#Cc1c(Nc2ccc(Cl)cc2)c(F)c2nc(N)nc(N)c2c1F	ZINC000058538056	EG	Annotated	Mild	
O=C(O)COCCOCCOc1cc(Cl)c(Cl)cc1Cl	ZINC000058538078	EG	Annotated	Anodyne	
C#CCn1c2ccccc2c2cc(C(=O)N3CCSCC3)nc(C)c21	ZINC000058538262	EG	Annotated	Mild	
O=C1CS[C@H](c2c(Cl)cccc2Cl)N1[C@@H]1CC[C@H]1[N+](=O)[O-]	ZINC000058539473	EG	Annotated	Bother	 
O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@H]1Br	ZINC000058539486	EG	Annotated	Anodyne	 
CCCCNc1c(C#N)c(NCCCC)c2c(N)nc(N)nc2c1F	ZINC000058541621	EG	Annotated	Mild	
CC(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1	ZINC000058541803	EG	Annotated	Anodyne	
C[C@@H]1CO[C@]2(C)Oc3cc(O)c4c(c3C[C@@H]12)O[C@@]1(C)OC[C@H](C)[C@@H]1C4	ZINC000058547887	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC[C@@H]21)CC3=O	ZINC000058563981	EG	Annotated	Anodyne	
CC(=O)O[C@@H]1C(=O)CC(C)(C)[C@@]23O[C@@H]2C[C@@H](c2ccccc2)[C@@]13C	ZINC000058566733	EG	Annotated	Anodyne	
Cn1c(=O)oc2cc(-c3coc(=O)n3-c3ccc(Cl)cc3)ccc21	ZINC000058575378	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C	ZINC000058575503	EG	Annotated	Anodyne	
NC(=S)Nc1ccc2c(c1)C(=O)c1cc(Br)ccc1-2	ZINC000058576346	EG	Annotated	Anodyne	
O/N=C(/c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)ccc1O	ZINC000058581021	EG	Annotated	Mild	
Cc1ccc(/C(=N\O)c2cnn(-c3ccc(F)c(F)c3)c2)c(O)c1	ZINC000058581723	EG	Annotated	Mild	
Cn1c(=O)oc2cc(C3=C(c4ccc(Cl)cc4)C(=O)OC3)ccc21	ZINC000058582881	EG	Annotated	Anodyne	
N#Cc1c(Nc2ccccc2)c(Cl)c2nc(N)nc(N)c2c1F	ZINC000058583326	EG	Annotated	Mild	
Cc1c(O)c(C)c2c(c1O)C(=O)C[C@H](c1ccccc1[N+](=O)[O-])O2	ZINC000058583740	EG	Annotated	Bother	
O=C(O)CCC1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccco1	ZINC000058594507	EG	Annotated	Anodyne	
Nc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1	ZINC000058602887	EG	Annotated	Anodyne	
CCCCCC#C/C=C\C#CC[C@@H]1O[C@](C)(OC)[C@@](C)(OC)OC1=O	ZINC000058603373	EG	Annotated	Mild	
CN(Cc1ccccc1)c1nnc(N(C)c2ccc(Cl)cc2)nn1	ZINC000058603805	EG	Annotated	Anodyne	
NC(=O)c1c(F)c(F)c2nc3ccc(Cl)cc3c(O)c2c1F	ZINC000058608297	EG	Annotated	Bother	
O=C(O)c1cc(Br)ccc1N[C@H]1CCC[C@@H](C(=O)O)C1	ZINC000058626893	EG	Annotated	Anodyne	
Fc1ccc(Oc2ncc3c(NC4CCOCC4)n[nH]c3n2)c(F)c1	ZINC000058631439	EG	Annotated	Anodyne	
Cc1[nH]c2ncccc2c1[C@@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1	ZINC000058631570	EG	Annotated	Anodyne	
O[C@H]1Cc2c(ccc3c4ccccc4c4ccccc4c23)[C@H](O)[C@H]1O	ZINC000058639136	EG	Annotated	Bother	
COc1nn(C)c(=O)n1-c1cccc2ccc(C#CC(C)(C)C)cc12	ZINC000058650913	EG	Annotated	Mild	
CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4	ZINC000058689376	EG	Annotated	Reactive	
O=C1CCC(c2ccccc2)(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1	ZINC000586877434	EG	Annotated	Bother	
COC(=O)c1cc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2cn1	ZINC000586877726	EG	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1	ZINC000586877950	EG	Annotated	Bother	
COC(=O)c1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2n1	ZINC000586877970	EG	Annotated	Anodyne	
C#CCC1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CCCCC1	ZINC000586878152	EG	Annotated	Mild	
O=C(O)c1ccccc1/C=C/c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586878440	EG	Annotated	Bother	
O=C(O)c1ccccc1/C=C\c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586878441	EG	Annotated	Bother	
C#CCC1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CCCCC1	ZINC000586878448	EG	Annotated	Mild	
O=C(O)/C=C/c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586878751	EG	Annotated	Bother	
O=C(O)/C=C\c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586878757	EG	Annotated	Bother	
O=C(O)/C=C\c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586879168	EG	Annotated	Anodyne	
O=C(O)/C=C/c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586879176	EG	Annotated	Anodyne	
O=C(O)/C=C/c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000586879282	EG	Annotated	Anodyne	
O=C(O)/C=C\c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000586879284	EG	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C/c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000586879851	EG	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C\c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000586879854	EG	Annotated	Anodyne	
Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncnc(N)c3[nH]2)cc1	ZINC000586880070	EG	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C/c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000586880205	EG	Annotated	Anodyne	
O=C(O)c1ccccc1/C=C\c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000586880218	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1F	ZINC000586880873	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1F	ZINC000586880874	EG	Annotated	Anodyne	
C#Cc1cccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1	ZINC000586880958	EG	Annotated	Mild	
C#Cc1cccc(-c2nc3cc(I)cnc3[nH]2)c1	ZINC000586881129	EG	Annotated	Mild	
Cc1cc(-c2nc3nc(=N)[nH]cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1	ZINC000586881210	EG	Annotated	Anodyne	
CC(=O)c1ccc(-c2cccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)c2)cc1	ZINC000586881218	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1	ZINC000586881221	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1	ZINC000586881226	EG	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000586881400	EG	Annotated	Bother	
CC(=O)c1ccc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)cc1	ZINC000586881463	EG	Annotated	Anodyne	
Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1	ZINC000586881591	EG	Annotated	Anodyne	
CC(=O)c1ccc(-c2cccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)cc1	ZINC000586881615	EG	Annotated	Anodyne	
O=C(O)/C=C/c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000586881633	EG	Annotated	Anodyne	
O=C(O)/C=C\c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000586881636	EG	Annotated	Anodyne	
Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(N)ncnc3[nH]2)c1	ZINC000586881638	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3cc2N1	ZINC000586881848	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3cc2N1	ZINC000586881853	EG	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(CCO)cc2[nH]1	ZINC000586882121	EG	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(C#N)c(C#N)cc2[nH]1	ZINC000586882182	EG	Annotated	Mild	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1	ZINC000586882408	EG	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000586882487	EG	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3	ZINC000586882523	EG	Annotated	Anodyne	
Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c[nH]c(=N)[nH]c-3n2)c1	ZINC000586882602	EG	Annotated	Anodyne	
O=C1CCC[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)CC1	ZINC000586883369	EG	Annotated	Anodyne	
O=C1CCC[C@H](c2nc3c(F)cnc(Br)c3[nH]2)CC1	ZINC000586883375	EG	Annotated	Anodyne	
Cc1ccc2ccccc2c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1	ZINC000586883602	EG	Annotated	Anodyne	
Brc1c[nH]c2nc([C@H]3C[C@@]34CCc3ccccc34)nc-2n1	ZINC000586883661	EG	Annotated	Anodyne	
Clc1ncc(I)c2nc(C3CCC3)[nH]c12	ZINC000586883662	EG	Annotated	Anodyne	
Brc1c[nH]c2nc([C@H]3C[C@]34CCc3ccccc34)nc-2n1	ZINC000586883670	EG	Annotated	Anodyne	
Brc1c[nH]c2nc([C@@H]3C[C@@]34CCc3ccccc34)nc-2n1	ZINC000586883674	EG	Annotated	Anodyne	
Brc1c[nH]c2nc([C@@H]3C[C@]34CCc3ccccc34)nc-2n1	ZINC000586883678	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1	ZINC000586884440	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1	ZINC000586884441	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)C2	ZINC000586884451	EG	Annotated	Bother	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)C2	ZINC000586884467	EG	Annotated	Bother	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cnc3[nH]1)C2	ZINC000586884750	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cnc3[nH]1)C2	ZINC000586884751	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Br)ccnc3[nH]1)C2	ZINC000586886175	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Br)ccnc3[nH]1)C2	ZINC000586886177	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)ncc3[nH]1)C2	ZINC000586886337	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)ncc3[nH]1)C2	ZINC000586886339	EG	Annotated	Anodyne	
C[C@@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586886374	EG	Annotated	Anodyne	
C[C@H](O)Cc1nc2c(Br)ccc(Br)c2[nH]1	ZINC000586886383	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1	ZINC000586886392	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1	ZINC000586886405	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1	ZINC000586886407	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@H](O)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1	ZINC000586886410	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(Br)nc3[nH]1)C2	ZINC000586886461	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(Br)nc3[nH]1)C2	ZINC000586886465	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cncc(Br)c3[nH]1)C2	ZINC000586886722	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cncc(Br)c3[nH]1)C2	ZINC000586886724	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000586886813	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000586886824	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000586886827	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000586886830	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1	ZINC000586886892	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1	ZINC000586886896	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1	ZINC000586886899	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1	ZINC000586886902	EG	Annotated	Anodyne	
CC[C@@]1(C)C[C@@H]1c1nc2cc(I)cnc2[nH]1	ZINC000586887008	EG	Annotated	Anodyne	
CC[C@]1(C)C[C@@H]1c1nc2cc(I)cnc2[nH]1	ZINC000586887022	EG	Annotated	Anodyne	
CC[C@]1(C)C[C@H]1c1nc2cc(I)cnc2[nH]1	ZINC000586887025	EG	Annotated	Anodyne	
CC[C@@]1(C)C[C@H]1c1nc2cc(I)cnc2[nH]1	ZINC000586887028	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccnc(Br)c3[nH]1)C2	ZINC000586887420	EG	Annotated	Anodyne	
O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccnc(Br)c3[nH]1)C2	ZINC000586887422	EG	Annotated	Anodyne	
CC(C)[C@@](C)(O)c1nc2cccc(I)c2[nH]1	ZINC000586887450	EG	Annotated	Anodyne	
CC(C)[C@](C)(O)c1nc2cccc(I)c2[nH]1	ZINC000586887459	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000586887841	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000586887850	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000586887851	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@H](O)c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000586887853	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@@H]4C[C@]45CCc4ccccc45)nc3cc2N1	ZINC000586888037	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@@H]4C[C@@]45CCc4ccccc45)nc3cc2N1	ZINC000586888041	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H]4C[C@]45CCc4ccccc45)nc3cc2N1	ZINC000586888044	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H]4C[C@@]45CCc4ccccc45)nc3cc2N1	ZINC000586888046	EG	Annotated	Anodyne	
CC(C)[C@@](C)(O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000586888047	EG	Annotated	Bother	
CC(C)[C@](C)(O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000586888054	EG	Annotated	Bother	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@]3(C)CC)[nH]c2c1	ZINC000586888912	EG	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@]3(C)CC)[nH]c2c1	ZINC000586888916	EG	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@]3(C)CC)[nH]c2c1	ZINC000586888917	EG	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@]3(C)CC)[nH]c2c1	ZINC000586888919	EG	Annotated	Anodyne	
C[C@@H](O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000586889239	EG	Annotated	Anodyne	
C[C@H](O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	ZINC000586889249	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@@H](O)c3cccc(O)c3)[nH]c12	ZINC000586889464	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@H](O)c3cccc(O)c3)[nH]c12	ZINC000586889475	EG	Annotated	Anodyne	
CC(C)COc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br	ZINC000586889602	EG	Annotated	Anodyne	
CC(C)COc1cc2nc(C[C@H](C)O)[nH]c2cc1Br	ZINC000586889619	EG	Annotated	Anodyne	
Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br	ZINC000586889792	EG	Annotated	Anodyne	
Cc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br	ZINC000586889793	EG	Annotated	Anodyne	
CC(C)[C@](C)(O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000586889942	EG	Annotated	Clean	
CC(C)[C@@](C)(O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000586889945	EG	Annotated	Clean	
CC(C)[C@@](C)(O)c1nc2ccc(I)cc2[nH]1	ZINC000586889956	EG	Annotated	Anodyne	
CC(C)[C@](C)(O)c1nc2ccc(I)cc2[nH]1	ZINC000586889958	EG	Annotated	Anodyne	
Oc1cccc([C@@H](O)c2nc3ccc(F)c(Br)c3[nH]2)c1	ZINC000586890335	EG	Annotated	Anodyne	
Oc1cccc([C@H](O)c2nc3ccc(F)c(Br)c3[nH]2)c1	ZINC000586890355	EG	Annotated	Anodyne	
N#Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1C(F)(F)F	ZINC000586890412	EG	Annotated	Mild	
N#Cc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1C(F)(F)F	ZINC000586890415	EG	Annotated	Mild	
Cc1c(Br)ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c12	ZINC000586890578	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@H](O)c3cccc(O)c3)[nH]c12	ZINC000586890580	EG	Annotated	Anodyne	
Oc1cccc([C@@H](O)c2nc3cc(Br)cc(F)c3[nH]2)c1	ZINC000586890641	EG	Annotated	Anodyne	
Oc1cccc([C@H](O)c2nc3cc(Br)cc(F)c3[nH]2)c1	ZINC000586890642	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1	ZINC000586891112	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1	ZINC000586891113	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1	ZINC000586891114	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1	ZINC000586891115	EG	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](C)O)[nH]c3c2)cc1	ZINC000586891124	EG	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc(C[C@H](C)O)[nH]c3c2)cc1	ZINC000586891128	EG	Annotated	Anodyne	
C[C@@H](O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000586891303	EG	Annotated	Anodyne	
C[C@H](O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	ZINC000586891305	EG	Annotated	Anodyne	
CCCCOc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br	ZINC000586891481	EG	Annotated	Anodyne	
CCCCOc1cc2nc(C[C@H](C)O)[nH]c2cc1Br	ZINC000586891482	EG	Annotated	Anodyne	
CC(C)[C@@](C)(O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000586891654	EG	Annotated	Bother	
CC(C)[C@](C)(O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000586891655	EG	Annotated	Bother	
Sc1nc(S)c2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2n1	ZINC000586891661	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2n1	ZINC000586891676	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2n1	ZINC000586891677	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2n1	ZINC000586891678	EG	Annotated	Anodyne	
Oc1cccc([C@@H](O)c2nc3cc(Br)c(F)cc3[nH]2)c1	ZINC000586891744	EG	Annotated	Anodyne	
Oc1cccc([C@H](O)c2nc3cc(Br)c(F)cc3[nH]2)c1	ZINC000586891745	EG	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)cc1N	ZINC000586891985	EG	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)cc1N	ZINC000586891990	EG	Annotated	Anodyne	
Oc1cccc([C@@H](O)c2nc3cc(F)cc(Br)c3[nH]2)c1	ZINC000586892025	EG	Annotated	Anodyne	
Oc1cccc([C@H](O)c2nc3cc(F)cc(Br)c3[nH]2)c1	ZINC000586892026	EG	Annotated	Anodyne	
Oc1cccc([C@@H](O)c2nc3ccc(Br)c(F)c3[nH]2)c1	ZINC000586892027	EG	Annotated	Anodyne	
Oc1cccc([C@H](O)c2nc3ccc(Br)c(F)c3[nH]2)c1	ZINC000586892028	EG	Annotated	Anodyne	
C[C@@H](O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000586892604	EG	Annotated	Anodyne	
C[C@H](O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	ZINC000586892605	EG	Annotated	Anodyne	
C[C@@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586892765	EG	Annotated	Anodyne	
C[C@H](O)Cc1nc2cc(Br)c(Br)cc2[nH]1	ZINC000586892766	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(C[C@H](C)O)[nH]c2c(F)c1Nc1ccccc1	ZINC000586893141	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(C[C@@H](C)O)[nH]c2c(F)c1Nc1ccccc1	ZINC000586893143	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1	ZINC000586893543	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1	ZINC000586893544	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1	ZINC000586893545	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1	ZINC000586893546	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000586893613	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000586893625	EG	Annotated	Anodyne	
Cc1ccc([C@H](C)[C@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000586893627	EG	Annotated	Anodyne	
Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000586893629	EG	Annotated	Anodyne	
Oc1cccc([C@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	ZINC000586893716	EG	Annotated	Bother	
Oc1cccc([C@@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	ZINC000586893721	EG	Annotated	Bother	
Oc1cccc([C@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	ZINC000586894059	EG	Annotated	Bother	
Oc1cccc([C@@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	ZINC000586894060	EG	Annotated	Bother	
Cc1cc(Br)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1	ZINC000586894094	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1	ZINC000586894095	EG	Annotated	Anodyne	
OCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	ZINC000586894363	EG	Annotated	Anodyne	
N#Cc1nc2nc(CCCCCCCCCCCO)[nH]c2nc1C#N	ZINC000586894454	EG	Annotated	Mild	
N=c1[nH]c2nc(CCCCCCCCCCCO)nc-2c(Cl)[nH]1	ZINC000586894568	EG	Annotated	Anodyne	
CC(C)CCOc1cc2nc(CCO)[nH]c2cc1Br	ZINC000586894578	EG	Annotated	Anodyne	
CCCCCOc1cc2nc(CCO)[nH]c2cc1Br	ZINC000586894901	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(CO)c3)[nH]c12	ZINC000586894956	EG	Annotated	Bother	
OCCCCCCCCCCCc1nc2c(O)nc(S)nc2[nH]1	ZINC000586895024	EG	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(CO)c3)[nH]c12	ZINC000586895142	EG	Annotated	Bother	
OCC12CCC(c3nc4cc(Br)cnc4[nH]3)(CC1)CC2	ZINC000586895318	EG	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(-c3cccc(CO)c3)[nH]c12	ZINC000586895361	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cccc(CO)c3)nc2c1	ZINC000586895376	EG	Annotated	Mild	
OCc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000586895387	EG	Annotated	Anodyne	
OCC12CCC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)(CC1)CC2	ZINC000586895470	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1	ZINC000586895553	EG	Annotated	Anodyne	
OCC12CCC(c3nc4cc5c(cc4[nH]3)OCCCO5)(CC1)CC2	ZINC000586895594	EG	Annotated	Anodyne	
OCC12CCC(c3nc4ccc(Br)nc4[nH]3)(CC1)CC2	ZINC000586895602	EG	Annotated	Anodyne	
OCC12CCC(c3nc4ccnc(Br)c4[nH]3)(CC1)CC2	ZINC000586895618	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(CO)cc3)nc12	ZINC000586895629	EG	Annotated	Bother	
OCC12CCC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)(CC1)CC2	ZINC000586895661	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1	ZINC000586895666	EG	Annotated	Anodyne	
OCC12CCC(c3nc4c(Br)ccnc4[nH]3)(CC1)CC2	ZINC000586895723	EG	Annotated	Anodyne	
OCC12CCC(c3nc4cc(Br)ncc4[nH]3)(CC1)CC2	ZINC000586895726	EG	Annotated	Anodyne	
OCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1	ZINC000586895728	EG	Annotated	Anodyne	
OCC12CCC(c3nc4cncc(Br)c4[nH]3)(CC1)CC2	ZINC000586895739	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CC[C@H](O)CC3)[nH]c21	ZINC000586896006	EG	Annotated	Clean	
COC(=O)c1ccnc2[nH]c(CCCCc3cccc(O)c3)nc12	ZINC000586896027	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(CCCCc4cccc(O)c4)nc3cc2N1	ZINC000586896065	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(CCc3cccc(O)c3)nc2c1	ZINC000586896327	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1OC	ZINC000586896343	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(C3(c4ccccc4O)CC3)nc2cc1OC	ZINC000586896371	EG	Annotated	Anodyne	
Oc1cccc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000586896402	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1[N+](=O)[O-]	ZINC000586896406	EG	Annotated	Bother	
Oc1cccc(CCCCc2nc3nc(Br)c[nH]c-3n2)c1	ZINC000586896604	EG	Annotated	Anodyne	
Oc1cccc(CCCCc2nc3c(S)nc(S)nc3[nH]2)c1	ZINC000586896615	EG	Annotated	Anodyne	
Oc1cccc(CCc2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000586896686	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2n1	ZINC000586896765	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1	ZINC000586896923	EG	Annotated	Anodyne	
CC(C)c1cc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c(O)c(C(C)C)c1	ZINC000586896944	EG	Annotated	Anodyne	
CC(C)c1cc(-c2nc3c(O)nc(O)nc3[nH]2)c(O)c(C(C)C)c1	ZINC000586897038	EG	Annotated	Anodyne	
Oc1ccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1	ZINC000586897621	EG	Annotated	Anodyne	
Oc1c(-c2nc3c(S)nc(S)nc3[nH]2)ccc2c1CCCC2	ZINC000586897787	EG	Annotated	Anodyne	
N#Cc1nc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2nc1C#N	ZINC000586898030	EG	Annotated	Mild	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CC[C@H](O)CC3)[nH]c12	ZINC000586898086	EG	Annotated	Bother	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c12	ZINC000586898131	EG	Annotated	Bother	
Oc1c(-c2nc3nc(Br)c[nH]c-3n2)ccc2c1CCCC2	ZINC000586898201	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(C3(c4ccc(O)cc4)CC3)nc2cc1OC	ZINC000586898324	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1	ZINC000586898331	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1[N+](=O)[O-]	ZINC000586898340	EG	Annotated	Bother	
N=c1[nH]c2nc(-c3ccccc3-c3ccc(O)cc3)nc-2c(Cl)[nH]1	ZINC000586898383	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1OC	ZINC000586898788	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cccc(-c4ccc(O)cc4)c3)nc-2c(Cl)[nH]1	ZINC000586898793	EG	Annotated	Anodyne	
N#Cc1nc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2nc1C#N	ZINC000586898957	EG	Annotated	Mild	
O=C1COc2cc3[nH]c(-c4ccc5c(c4O)CCCC5)nc3cc2N1	ZINC000586898970	EG	Annotated	Anodyne	
Oc1ccc(-c2ccccc2-c2nc3c(O)nc(S)nc3[nH]2)cc1	ZINC000586899076	EG	Annotated	Anodyne	
O[C@H]1CC[C@@H](c2nc3cccc(I)c3[nH]2)CC1	ZINC000586899201	EG	Annotated	Anodyne	
O[C@H]1CC[C@@H](c2nc3ccc(I)cc3[nH]2)CC1	ZINC000586899495	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CC2)cc1	ZINC000586899496	EG	Annotated	Anodyne	
O[C@H]1CC[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)CC1	ZINC000586899675	EG	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc([C@@H]3CC[C@H](O)CC3)[nH]c12	ZINC000586899877	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(C45CCC(CO)(CC4)CC5)[nH]c3cc2N1	ZINC000586899931	EG	Annotated	Anodyne	
O[C@H]1CC[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)CC1	ZINC000586899970	EG	Annotated	Anodyne	
N=c1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c[nH]1	ZINC000586900067	EG	Annotated	Anodyne	
Nc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1N	ZINC000586900073	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12	ZINC000586900084	EG	Annotated	Anodyne	
CC(C)C[C@H](O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000586900158	EG	Annotated	Clean	
O[C@H]1C[C@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21	ZINC000586900252	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21	ZINC000586900254	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21	ZINC000586900256	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cncc(Br)c3[nH]2)c2ccccc21	ZINC000586900257	EG	Annotated	Anodyne	
O=Cc1ccc(OCc2occc2-c2nc3ccnc(O)c3[nH]2)cc1	ZINC000586900400	EG	Annotated	Anodyne	
CC(C)(CO)[C@@H](O)c1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000586900540	EG	Annotated	Anodyne	
CC(C)C[C@H](O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1	ZINC000586900687	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3coc(C#Cc4ccccc4)c3)[nH]c2n1	ZINC000586900710	EG	Annotated	Mild	
CC(C)C[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000586900721	EG	Annotated	Bother	
O[C@H]1C[C@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21	ZINC000586900811	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21	ZINC000586900812	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21	ZINC000586900814	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(Br)ncc3[nH]2)c2ccccc21	ZINC000586900816	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21	ZINC000586900866	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21	ZINC000586900867	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21	ZINC000586900869	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3c(F)cnc(Br)c3[nH]2)c2ccccc21	ZINC000586900870	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12	ZINC000586901224	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21	ZINC000586901268	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21	ZINC000586901271	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21	ZINC000586901273	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3c(Br)ccnc3[nH]2)c2ccccc21	ZINC000586901275	EG	Annotated	Anodyne	
CC(C)C[C@H](O)c1nc2ccc(I)cc2[nH]1	ZINC000586901483	EG	Annotated	Anodyne	
CC(C)C[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000586901603	EG	Annotated	Bother	
CC(C)(CO)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586902054	EG	Annotated	Anodyne	
CC(C)C[C@H](O)c1nc2cccc(I)c2[nH]1	ZINC000586902070	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3coc(C#Cc4ccccc4)c3)nc-2c(Cl)[nH]1	ZINC000586902222	EG	Annotated	Mild	
CC1=C(c2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)NNC(=O)C1	ZINC000586902246	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12	ZINC000586902268	EG	Annotated	Mild	
CCOC(=O)Cc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1	ZINC000586902346	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1	ZINC000586902348	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1	ZINC000586902350	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1	ZINC000586902352	EG	Annotated	Anodyne	
Cc1oc2c(c1-c1nc3cc(C(=O)O)c(F)cc3[nH]1)C(=O)CCC2	ZINC000586902445	EG	Annotated	Anodyne	
Cc1oc2c(c1-c1nc3c(S)nc(S)nc3[nH]1)C(=O)CCC2	ZINC000586902971	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21	ZINC000586903079	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21	ZINC000586903080	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21	ZINC000586903081	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3ccc(Br)nc3[nH]2)c2ccccc21	ZINC000586903082	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21	ZINC000586903094	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21	ZINC000586903095	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21	ZINC000586903096	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3ccnc(Br)c3[nH]2)c2ccccc21	ZINC000586903097	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)oc2c1[C@H](O)CCC2	ZINC000586903305	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)oc2c1[C@@H](O)CCC2	ZINC000586903310	EG	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)oc12	ZINC000586903325	EG	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4nc(Cl)ncc4[nH]3)oc12	ZINC000586903358	EG	Annotated	Anodyne	
CCOCc1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)o1	ZINC000586903398	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc12	ZINC000586903411	EG	Annotated	Mild	
Cc1oc2c(c1-c1nc3cc(F)cc(C(=O)O)c3[nH]1)C(=O)CCC2	ZINC000586903659	EG	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4ncnc(Cl)c4[nH]3)oc12	ZINC000586903718	EG	Annotated	Anodyne	
CCOCc1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)o1	ZINC000586903740	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21	ZINC000586903871	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21	ZINC000586903872	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21	ZINC000586903873	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(Br)cnc3[nH]2)c2ccccc21	ZINC000586903874	EG	Annotated	Anodyne	
Cc1oc2c(c1-c1nc3nc(Br)c[nH]c-3n1)C(=O)CCC2	ZINC000586903904	EG	Annotated	Anodyne	
CC(C)(CO)[C@@H](O)c1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000586903929	EG	Annotated	Anodyne	
CCOCc1ccc(-c2nc3cc(C(=O)OC)c(OC)cc3[nH]2)o1	ZINC000586903969	EG	Annotated	Anodyne	
CCc1oc2ccccc2c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1	ZINC000586903976	EG	Annotated	Anodyne	
Cc1oc2c(c1-c1nc3cnc(C(F)(F)F)[nH]c-3n1)C(=O)CCC2	ZINC000586903997	EG	Annotated	Anodyne	
CCOCc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)o1	ZINC000586904051	EG	Annotated	Bother	
COc1ccc(C=O)c2cc(-c3nc4cc(CCO)ccc4[nH]3)oc12	ZINC000586904133	EG	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4nc(Cl)c[nH]c-4n3)oc12	ZINC000586904177	EG	Annotated	Anodyne	
COc1ccc(C=O)c2cc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)oc12	ZINC000586904248	EG	Annotated	Bother	
COc1ccc(C=O)c2cc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)oc12	ZINC000586904605	EG	Annotated	Bother	
Cc1c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)oc2c1[C@@H](O)CCC2	ZINC000586904635	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)oc2c1[C@H](O)CCC2	ZINC000586904637	EG	Annotated	Anodyne	
Cc1oc2c(c1-c1nc3ccc(C(=O)N(C)C)cc3[nH]1)C(=O)CCC2	ZINC000586904650	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)NNC(=O)C1	ZINC000586904797	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)oc2c1[C@@H](O)CCC2	ZINC000586904859	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)oc2c1[C@@H](O)CCC2	ZINC000586904861	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)oc2c1[C@H](O)CCC2	ZINC000586904863	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)oc2c1[C@H](O)CCC2	ZINC000586904865	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21	ZINC000586905019	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21	ZINC000586905022	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21	ZINC000586905023	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c2ccccc21	ZINC000586905024	EG	Annotated	Anodyne	
O[C@H]1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21	ZINC000586905193	EG	Annotated	Anodyne	
O[C@@H]1C[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21	ZINC000586905194	EG	Annotated	Anodyne	
O[C@@H]1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21	ZINC000586905195	EG	Annotated	Anodyne	
O[C@H]1C[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c2ccccc21	ZINC000586905196	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)oc2c1[C@H](O)CCC2	ZINC000586905371	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)oc2c1[C@@H](O)CCC2	ZINC000586905372	EG	Annotated	Anodyne	
Cc1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)oc2c1[C@@H](O)CCC2	ZINC000586905449	EG	Annotated	Mild	
Cc1c(-c2nc3c(C#N)nc(Cl)cc3[nH]2)oc2c1[C@H](O)CCC2	ZINC000586905450	EG	Annotated	Mild	
Cc1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)oc2c1[C@H](O)CCC2	ZINC000586905534	EG	Annotated	Anodyne	
Cc1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)oc2c1[C@@H](O)CCC2	ZINC000586905535	EG	Annotated	Anodyne	
Cc1c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)oc2c1[C@H](O)CCC2	ZINC000586905584	EG	Annotated	Anodyne	
Cc1c(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)oc2c1[C@@H](O)CCC2	ZINC000586905585	EG	Annotated	Anodyne	
Cc1ccc(-c2ccc(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2)o1	ZINC000586905629	EG	Annotated	Mild	
Oc1nc(NCc2ccccc2)c2nc(-c3occ4c3CCC4)nc-2[nH]1	ZINC000586905642	EG	Annotated	Anodyne	
Cc1c(-c2nc3nc(Br)c[nH]c-3n2)oc2c1[C@H](O)CCC2	ZINC000586905706	EG	Annotated	Anodyne	
Cc1c(-c2nc3nc(Br)c[nH]c-3n2)oc2c1[C@@H](O)CCC2	ZINC000586905707	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3cc2N1	ZINC000586905776	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3cc2N1	ZINC000586905777	EG	Annotated	Anodyne	
O=C1O/C(=C\c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc21	ZINC000586905933	EG	Annotated	Anodyne	
O=C1O/C(=C/c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc21	ZINC000586905934	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586906003	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1	ZINC000586906004	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000586906169	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000586906170	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12	ZINC000586906282	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12	ZINC000586906283	EG	Annotated	Mild	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586906317	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586906324	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1	ZINC000586906408	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1	ZINC000586906411	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586906653	EG	Annotated	Bother	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586906656	EG	Annotated	Bother	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000586906660	EG	Annotated	Mild	
CC1(C)OC(=O)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000586906667	EG	Annotated	Mild	
CCOC(=O)c1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2c1	ZINC000586906742	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1	ZINC000586906743	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000586906763	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000586906764	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12	ZINC000586906825	EG	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc21	ZINC000586906911	EG	Annotated	Reactive	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)ncc2[nH]1	ZINC000586906928	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)ncc2[nH]1	ZINC000586906931	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1	ZINC000586906944	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1	ZINC000586906945	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1	ZINC000586906947	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3cc2N1	ZINC000586906995	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3cc2N1	ZINC000586906998	EG	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc21	ZINC000586907026	EG	Annotated	Reactive	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cncc(Br)c2[nH]1	ZINC000586907034	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cncc(Br)c2[nH]1	ZINC000586907036	EG	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc21	ZINC000586907047	EG	Annotated	Reactive	
Oc1cccc2c1OCC(c1nc3nc(C(F)(F)F)ncc3[nH]1)=C2	ZINC000586907056	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(CCc3cc4ccccc4o3)[nH]c2n1	ZINC000586907089	EG	Annotated	Anodyne	
COc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cc1OC	ZINC000586907101	EG	Annotated	Anodyne	
COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cc1OC	ZINC000586907102	EG	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c32)n1	ZINC000586907178	EG	Annotated	Reactive	
CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000586907179	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000586907180	EG	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3ncc(Br)cc3[nH]1)=C2	ZINC000586907351	EG	Annotated	Anodyne	
c1ccc2oc(CCc3nc4ccc(-n5cnnn5)cc4[nH]3)cc2c1	ZINC000586907450	EG	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3nc(Br)ccc3[nH]1)=C2	ZINC000586907543	EG	Annotated	Anodyne	
O=C(O)c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1F	ZINC000586907550	EG	Annotated	Anodyne	
Cc1cc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2cc1[N+](=O)[O-]	ZINC000586907558	EG	Annotated	Bother	
Cc1cc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2cc1[N+](=O)[O-]	ZINC000586907563	EG	Annotated	Bother	
Oc1cccc2c1OCC(c1nc3cnc(Br)cc3[nH]1)=C2	ZINC000586907620	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586907670	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1	ZINC000586907671	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2ccnc(Br)c2[nH]1	ZINC000586907687	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2ccnc(Br)c2[nH]1	ZINC000586907688	EG	Annotated	Anodyne	
O=C1O/C(=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2ccccc21	ZINC000586907786	EG	Annotated	Bother	
O=C1O/C(=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2ccccc21	ZINC000586907787	EG	Annotated	Bother	
Oc1cccc2c1OCC(c1nc3cc4c(cc3[nH]1)OCCCO4)=C2	ZINC000586907948	EG	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4cccc(Br)c4[nH]3)ccc21	ZINC000586908072	EG	Annotated	Reactive	
O=C1OC(=O)c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc21	ZINC000586908103	EG	Annotated	Reactive	
CC1(C)OC(=O)C[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000586908131	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000586908133	EG	Annotated	Anodyne	
O=C1CCc2cc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3cc2N1	ZINC000586908184	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(Br)cnc2[nH]1	ZINC000586908188	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)cnc2[nH]1	ZINC000586908189	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586908195	EG	Annotated	Bother	
O=[N+]([O-])c1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cc1F	ZINC000586908198	EG	Annotated	Bother	
CC1(C)OC(=O)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000586908199	EG	Annotated	Bother	
O=C1OC(=O)c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc21	ZINC000586908208	EG	Annotated	Reactive	
O=C1c2ccoc2CC[C@@H]1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3	ZINC000586908244	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3	ZINC000586908262	EG	Annotated	Anodyne	
CC(C)Oc1cc2nc(CC3OCCO3)[nH]c2cc1Br	ZINC000586908370	EG	Annotated	Anodyne	
Oc1nccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12	ZINC000586908632	EG	Annotated	Mild	
Oc1nccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12	ZINC000586908634	EG	Annotated	Mild	
N=c1[nH]ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12	ZINC000586908648	EG	Annotated	Mild	
N=c1[nH]ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12	ZINC000586908650	EG	Annotated	Mild	
O=C1COc2cc3[nH]c(CCc4cc5ccccc5o4)nc3cc2N1	ZINC000586908760	EG	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3nccc(Br)c3[nH]1)=C2	ZINC000586908898	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc12	ZINC000586909001	EG	Annotated	Mild	
Nc1ccnc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc12	ZINC000586909002	EG	Annotated	Mild	
CCOC(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1	ZINC000586909115	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1	ZINC000586909124	EG	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)ccc21	ZINC000586909129	EG	Annotated	Reactive	
O=C1c2ccoc2CC[C@@H]1Cc1nc2c(Br)ccnc2[nH]1	ZINC000586909298	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2c(Br)ccnc2[nH]1	ZINC000586909300	EG	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3c(Br)nccc3[nH]1)=C2	ZINC000586909368	EG	Annotated	Anodyne	
CCCOc1cc2nc(CC3OCCO3)[nH]c2cc1Br	ZINC000586909399	EG	Annotated	Anodyne	
Oc1cccc2c1OCC(c1nc3c(Br)cncc3[nH]1)=C2	ZINC000586909507	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Br)nc2[nH]1	ZINC000586909582	EG	Annotated	Anodyne	
O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(Br)nc2[nH]1	ZINC000586909583	EG	Annotated	Anodyne	
O=C1OC(=O)c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)ccc21	ZINC000586909652	EG	Annotated	Reactive	
FC(F)(F)Oc1cc2nc(C[C@@H]3COCCO3)[nH]c2cc1Cl	ZINC000586909667	EG	Annotated	Anodyne	
FC(F)(F)Oc1cc2nc(C[C@H]3COCCO3)[nH]c2cc1Cl	ZINC000586909676	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586910018	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000586910019	EG	Annotated	Anodyne	
C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cnncc2[nH]1	ZINC000586910182	EG	Annotated	Mild	
C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cnncc2[nH]1	ZINC000586910183	EG	Annotated	Mild	
C(#CCO[C@@H]1CCCCO1)CCCCCc1nc2cncnc2[nH]1	ZINC000586910243	EG	Annotated	Mild	
C(#CCO[C@H]1CCCCO1)CCCCCc1nc2cncnc2[nH]1	ZINC000586910244	EG	Annotated	Mild	
CC1(C)OC(=O)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586910442	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1	ZINC000586910443	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586910724	EG	Annotated	Bother	
CC1(C)OC(=O)C[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000586910726	EG	Annotated	Bother	
N=c1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c[nH]1	ZINC000586911219	EG	Annotated	Mild	
N=c1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c[nH]1	ZINC000586911220	EG	Annotated	Mild	
O=C(O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1	ZINC000586911909	EG	Annotated	Anodyne	
CC1(C)COc2c(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cccc21	ZINC000586911987	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc(Cl)cnc4[nH]3)CCOCC2)cc1	ZINC000586912075	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586912118	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1	ZINC000586912119	EG	Annotated	Anodyne	
O[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCOCC1	ZINC000586912175	EG	Annotated	Anodyne	
O[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)C1CCOCC1	ZINC000586912176	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586912238	EG	Annotated	Anodyne	
CC1(C)OC(=O)C[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1	ZINC000586912239	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@H](O)C3CCOCC3)nc2c1	ZINC000586912260	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1	ZINC000586912266	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@H](O)C3CCOCC3)[nH]c12	ZINC000586912380	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@@H](O)C3CCOCC3)[nH]c12	ZINC000586912383	EG	Annotated	Anodyne	
O[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCOCC1	ZINC000586912394	EG	Annotated	Anodyne	
O[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)C1CCOCC1	ZINC000586912397	EG	Annotated	Anodyne	
CC1(C)COc2c(-c3nc4nc(Br)c[nH]c-4n3)cccc21	ZINC000586912478	EG	Annotated	Anodyne	
CC1(C)COc2c(-c3nc4c(S)nc(S)nc4[nH]3)cccc21	ZINC000586912890	EG	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCOC3)nc2c1	ZINC000586913008	EG	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCOC3)nc2c1	ZINC000586913009	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CCOCC2)cc1	ZINC000586913115	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cncc(Cl)c4[nH]3)CCOCC2)cc1	ZINC000586913156	EG	Annotated	Anodyne	
Nc1ccc(Oc2ccc3nc([C@H](O)C4CCOCC4)[nH]c3c2)cc1	ZINC000586913196	EG	Annotated	Clean	
Nc1ccc(Oc2ccc3nc([C@@H](O)C4CCOCC4)[nH]c3c2)cc1	ZINC000586913197	EG	Annotated	Clean	
Cc1c(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c2c1C	ZINC000586913268	EG	Annotated	Anodyne	
Cc1c(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c2c1C	ZINC000586913274	EG	Annotated	Anodyne	
O[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCOCC1	ZINC000586913474	EG	Annotated	Anodyne	
O[C@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)C1CCOCC1	ZINC000586913476	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4ccc(Cl)nc4[nH]3)CCOCC2)cc1	ZINC000586913478	EG	Annotated	Anodyne	
Cc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br	ZINC000586913484	EG	Annotated	Anodyne	
Cc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Br	ZINC000586913485	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4ccnc(Cl)c4[nH]3)CCOCC2)cc1	ZINC000586913486	EG	Annotated	Anodyne	
OC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCOCC1	ZINC000586913567	EG	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c(C3=COCC3)nc12	ZINC000586913568	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4c(Cl)ccnc4[nH]3)CCOCC2)cc1	ZINC000586913674	EG	Annotated	Anodyne	
Oc1ccc(C2(c3nc4cc5cn[nH]c5cc4[nH]3)CCOCC2)cc1	ZINC000586913816	EG	Annotated	Anodyne	
N#Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1C#N	ZINC000586913926	EG	Annotated	Mild	
Oc1ccc(C2(c3nc4cc(Cl)ncc4[nH]3)CCOCC2)cc1	ZINC000586913948	EG	Annotated	Anodyne	
CCOC(=O)c1cc(Br)c2[nH]c(C3=COCC3)nc2c1	ZINC000586914039	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12	ZINC000586914132	EG	Annotated	Bother	
O=C(c1ccccc1)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1	ZINC000586914139	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1	ZINC000586914140	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1	ZINC000586914145	EG	Annotated	Bother	
Cc1cc(Br)cc2nc([C@H](O)C3CCOCC3)[nH]c12	ZINC000586914153	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@@H](O)C3CCOCC3)[nH]c12	ZINC000586914154	EG	Annotated	Anodyne	
N=c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c[nH]1	ZINC000586914389	EG	Annotated	Anodyne	
O[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCOCC1	ZINC000586915080	EG	Annotated	Bother	
O[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCOCC1	ZINC000586915081	EG	Annotated	Bother	
O=[N+]([O-])c1c(Br)ccc2nc(C3CC4(COC4)C3)[nH]c12	ZINC000586915083	EG	Annotated	Bother	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(F)cnc2[nH]1	ZINC000586915103	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(F)cnc2[nH]1	ZINC000586915104	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(F)cnc2[nH]1	ZINC000586915105	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(F)cnc2[nH]1	ZINC000586915106	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)ncnc2[nH]1	ZINC000586915170	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Cl)ncnc2[nH]1	ZINC000586915171	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)ncnc2[nH]1	ZINC000586915172	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)ncnc2[nH]1	ZINC000586915173	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CC4(COC4)C3)[nH]c21	ZINC000586915237	EG	Annotated	Clean	
O[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCOCC1	ZINC000586915292	EG	Annotated	Bother	
O[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCOCC1	ZINC000586915293	EG	Annotated	Bother	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cncc(OC)c2[nH]1	ZINC000586915470	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cncc(OC)c2[nH]1	ZINC000586915473	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cncc(OC)c2[nH]1	ZINC000586915475	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cncc(OC)c2[nH]1	ZINC000586915477	EG	Annotated	Anodyne	
Fc1c(Br)cc2nc(C3CC4(COC4)C3)[nH]c2c1F	ZINC000586915498	EG	Annotated	Anodyne	
Clc1c(Br)cnc2[nH]c(C3CC4(COC4)C3)nc12	ZINC000586915523	EG	Annotated	Anodyne	
Clc1ncc(Br)c2nc(C3CC4(COC4)C3)[nH]c12	ZINC000586915802	EG	Annotated	Anodyne	
Ic1ccc2nc(C3CC4(COC4)C3)[nH]c2c1	ZINC000586916459	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4c(Br)cncc4[nH]3)ccc2o1	ZINC000586916533	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4nc(Br)ccc4[nH]3)ccc2o1	ZINC000586916544	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4c(Br)nccc4[nH]3)ccc2o1	ZINC000586916558	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4ncc(Br)cc4[nH]3)ccc2o1	ZINC000586916598	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4cnc(Br)cc4[nH]3)ccc2o1	ZINC000586916647	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000586916716	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000586916721	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000586916723	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000586916724	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4nccc(Br)c4[nH]3)ccc2o1	ZINC000586916730	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)ccc2o1	ZINC000586916941	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1	ZINC000586916964	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1	ZINC000586916965	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cnc(Cl)[nH]c-2n1	ZINC000586916968	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1	ZINC000586916969	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1	ZINC000586917159	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1	ZINC000586917163	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1	ZINC000586917165	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1	ZINC000586917168	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12	ZINC000586917171	EG	Annotated	Bother	
C[C@H]1CCO[C@H](c2nc3cc(I)cnc3[nH]2)C1	ZINC000586917481	EG	Annotated	Anodyne	
C[C@H]1CCO[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C1	ZINC000586917676	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(OC)nc2[nH]1	ZINC000586917749	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(OC)nc2[nH]1	ZINC000586917752	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(OC)nc2[nH]1	ZINC000586917753	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(OC)nc2[nH]1	ZINC000586917756	EG	Annotated	Anodyne	
C[C@H]1CCO[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C1	ZINC000586917948	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1	ZINC000586918074	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1	ZINC000586918077	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2nc(Cl)c[nH]c-2n1	ZINC000586918078	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1	ZINC000586918079	EG	Annotated	Anodyne	
Brc1nccc2nc([C@@H]3COc4ccccc4O3)[nH]c12	ZINC000586918121	EG	Annotated	Anodyne	
O=C1CCc2cc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3cc2N1	ZINC000586918248	EG	Annotated	Anodyne	
Brc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cn1	ZINC000586918373	EG	Annotated	Anodyne	
Brc1ccnc2[nH]c([C@@H]3COc4ccccc4O3)nc12	ZINC000586918374	EG	Annotated	Anodyne	
Ic1cccc2nc(C3CC4(COC4)C3)[nH]c12	ZINC000586918385	EG	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cnccc4[nH]3)c(=O)oc2c1C	ZINC000586918513	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(OC)ncc2[nH]1	ZINC000586918636	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(OC)ncc2[nH]1	ZINC000586918637	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(OC)ncc2[nH]1	ZINC000586918638	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(OC)ncc2[nH]1	ZINC000586918641	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccnc(OC)c2[nH]1	ZINC000586918702	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccnc(OC)c2[nH]1	ZINC000586918703	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccnc(OC)c2[nH]1	ZINC000586918705	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccnc(OC)c2[nH]1	ZINC000586918707	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)ccc2o1	ZINC000586918740	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1	ZINC000586918805	EG	Annotated	Anodyne	
FC1(F)Oc2cc3nc([C@@H]4COc5ccccc5O4)[nH]c3cc2O1	ZINC000586918874	EG	Annotated	Anodyne	
O=c1ccc2cc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)ccc2o1	ZINC000586918951	EG	Annotated	Bother	
Brc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2n1	ZINC000586918982	EG	Annotated	Anodyne	
Fc1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1-n1cccn1	ZINC000586919035	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1	ZINC000586919205	EG	Annotated	Anodyne	
COc1ccc2c(C)c(CCc3nc4cccnc4[nH]3)c(=O)oc2c1C	ZINC000586919226	EG	Annotated	Anodyne	
CCc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000586919689	EG	Annotated	Bother	
N[C@@H](CP(=O)(O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000586919752	EG	Annotated	Bother	
Cc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1C	ZINC000586919772	EG	Annotated	Bother	
Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C	ZINC000586920064	EG	Annotated	Bother	
COc1ccc(S(=O)(=O)Cc2nc3ccc(C)c(C)c3[nH]2)cc1	ZINC000586920331	EG	Annotated	Anodyne	
C=CCc1cccc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c12	ZINC000586920343	EG	Annotated	Mild	
O=S(=O)(CCc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)CCC2	ZINC000586920665	EG	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12	ZINC000586920692	EG	Annotated	Bother	
Cc1cc(C)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000586920825	EG	Annotated	Bother	
COc1ccc(S(=O)(=O)Cc2nc3cccc(Cl)c3[nH]2)cc1	ZINC000586920859	EG	Annotated	Anodyne	
O=S(=O)(CCc1nc2cccc(F)c2[nH]1)c1ccc2c(c1)CCC2	ZINC000586920865	EG	Annotated	Anodyne	
COc1ccc(S(=O)(=O)Cc2nc3c(C)ccc(C)c3[nH]2)cc1	ZINC000586921155	EG	Annotated	Anodyne	
CCS(=O)(=O)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1	ZINC000586921562	EG	Annotated	Anodyne	
Cc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1	ZINC000586921815	EG	Annotated	Anodyne	
O=S(=O)(CCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCC2	ZINC000586921861	EG	Annotated	Anodyne	
CCS(=O)(=O)c1ccccc1-c1nc2cc(OC)cc(OC)c2[nH]1	ZINC000586922414	EG	Annotated	Anodyne	
CCS(=O)(=O)c1cccc(Cc2nc3c(C)cnc(Cl)c3[nH]2)c1	ZINC000586923031	EG	Annotated	Anodyne	
CCS(=O)(=O)c1ccccc1-c1nc2c(C)cnc(Cl)c2[nH]1	ZINC000586923049	EG	Annotated	Anodyne	
Cc1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12	ZINC000586923113	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1	ZINC000586923938	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1	ZINC000586923939	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C1CCCC1	ZINC000586923996	EG	Annotated	Anodyne	
COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1OC	ZINC000586923998	EG	Annotated	Anodyne	
COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1OC	ZINC000586923999	EG	Annotated	Anodyne	
COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586924040	EG	Annotated	Anodyne	
COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586924041	EG	Annotated	Anodyne	
Cc1cc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	ZINC000586924050	EG	Annotated	Bother	
Cc1cc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	ZINC000586924051	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586924057	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1F	ZINC000586924058	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c32)n1	ZINC000586924074	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C1CCCC1	ZINC000586924075	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C1CCCC1	ZINC000586924079	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C1CCCC1	ZINC000586924100	EG	Annotated	Anodyne	
O=S(=O)(/C=C\c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1	ZINC000586924115	EG	Annotated	Anodyne	
O=S(=O)(/C=C/c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1	ZINC000586924116	EG	Annotated	Anodyne	
COc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1Cl	ZINC000586924142	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc12	ZINC000586924143	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc12	ZINC000586924144	EG	Annotated	Anodyne	
COc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1C	ZINC000586924173	EG	Annotated	Anodyne	
COc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1C	ZINC000586924174	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2ccc(Br)cc2[nH]1)C1CCCC1	ZINC000586924213	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C1CCCC1	ZINC000586924219	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C1CCCC1	ZINC000586924274	EG	Annotated	Anodyne	
CS(=O)(=O)/C=C\c1nc2cccc(OCc3ccccc3)c2[nH]1	ZINC000586924402	EG	Annotated	Anodyne	
CS(=O)(=O)/C=C/c1nc2cccc(OCc3ccccc3)c2[nH]1	ZINC000586924410	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C1CCCC1	ZINC000586924434	EG	Annotated	Anodyne	
O=S(=O)(/C=C\c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1	ZINC000586924466	EG	Annotated	Anodyne	
O=S(=O)(/C=C/c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1	ZINC000586924467	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCCC1	ZINC000586924520	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1	ZINC000586925140	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1	ZINC000586925142	EG	Annotated	Anodyne	
O=S(=O)(Cc1nc2cccc(Br)c2[nH]1)C1CCCC1	ZINC000586925172	EG	Annotated	Anodyne	
CS(=O)(=O)/C=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586925975	EG	Annotated	Anodyne	
CS(=O)(=O)/C=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000586925979	EG	Annotated	Anodyne	
O=S(=O)(Cl)c1cc(-c2nc3cccnc3[nH]2)ccc1Cl	ZINC000586926075	EG	Annotated	Unstable	
O=S(=O)(Cl)c1cc(-c2nc3cc(F)cnc3[nH]2)ccc1Cl	ZINC000586926414	EG	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3cccnc3[nH]2)cc1Cl	ZINC000586926612	EG	Annotated	Unstable	
CCc1ccc(-c2nc3cc(C)cnc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926657	EG	Annotated	Unstable	
CCc1ccc(-c2nc3cc(F)cnc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926767	EG	Annotated	Unstable	
CCc1ccc(-c2nc3cccc(O)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586926770	EG	Annotated	Unstable	
Cc1cc(-c2nc3cc4[nH]ncc4cc3[nH]2)ccc1S(=O)(=O)Cl	ZINC000586927499	EG	Annotated	Unstable	
CCc1ccc(-c2nc3c(C)nccc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927609	EG	Annotated	Unstable	
CCc1ccc(-c2nc3ccc(C)nc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927802	EG	Annotated	Unstable	
CCc1ccc(-c2nc3c(C)ccnc3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927961	EG	Annotated	Unstable	
CCc1ccc(-c2nc3cncc(C)c3[nH]2)cc1S(=O)(=O)Cl	ZINC000586927971	EG	Annotated	Unstable	
O=S(=O)(Cl)c1ccc(-c2nc3cc(F)cnc3[nH]2)cc1Cl	ZINC000586928260	EG	Annotated	Unstable	
Cc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(C)c3)[nH]c2c(C)n1	ZINC000586928343	EG	Annotated	Unstable	
Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1	ZINC000586928659	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(C)(C)C)cccc3[nH]2)o1	ZINC000586930384	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)o1	ZINC000586930457	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12	ZINC000586931329	EG	Annotated	Anodyne	
Cc1c(Cl)ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc12	ZINC000586931680	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)c(F)c2[nH]1)C(C)C	ZINC000586932100	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)c(F)c2[nH]1)C(C)C	ZINC000586932101	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2ccnc(Cl)c2[nH]1)C(C)C	ZINC000586932137	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2ccnc(Cl)c2[nH]1)C(C)C	ZINC000586932138	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cccc(F)c2[nH]1)C(C)C	ZINC000586932230	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cccc(F)c2[nH]1)C(C)C	ZINC000586932233	EG	Annotated	Anodyne	
Cc1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cc1Cl	ZINC000586932284	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(C)cc(F)c2[nH]1)C(C)C	ZINC000586932375	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)cc(F)c2[nH]1)C(C)C	ZINC000586932377	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)cnc2[nH]1)C(C)C	ZINC000586932650	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)cnc2[nH]1)C(C)C	ZINC000586932651	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)cc2[nH]1)C(C)C	ZINC000586932822	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)cc2[nH]1)C(C)C	ZINC000586932823	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(F)c(C)c2[nH]1)C(C)C	ZINC000586932838	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(F)c(C)c2[nH]1)C(C)C	ZINC000586932839	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)ncc2[nH]1)C(C)C	ZINC000586932872	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)ncc2[nH]1)C(C)C	ZINC000586932873	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(F)c(F)cc2[nH]1)C(C)C	ZINC000586933045	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)c(F)cc2[nH]1)C(C)C	ZINC000586933047	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2c(Cl)ccnc2[nH]1)C(C)C	ZINC000586933154	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2c(Cl)ccnc2[nH]1)C(C)C	ZINC000586933155	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cc(F)c2[nH]1)C(C)C	ZINC000586933423	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(F)c2[nH]1)C(C)C	ZINC000586933424	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cncc(Cl)c2[nH]1)C(C)C	ZINC000586933485	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cncc(Cl)c2[nH]1)C(C)C	ZINC000586933486	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2cc(C)c(F)cc2[nH]1)C(C)C	ZINC000586933835	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2cc(C)c(F)cc2[nH]1)C(C)C	ZINC000586933836	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Cl)nc2[nH]1)C(C)C	ZINC000586933887	EG	Annotated	Anodyne	
CCCCS(=O)(=O)N[C@H](c1nc2ccc(Cl)nc2[nH]1)C(C)C	ZINC000586933888	EG	Annotated	Anodyne	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)ccc3[nH]2)cc1	ZINC000586937480	EG	Annotated	Anodyne	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(C)ccc3[nH]2)cc1	ZINC000586937482	EG	Annotated	Anodyne	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cncc3[nH]2)cc1	ZINC000586937535	EG	Annotated	Anodyne	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cncc3[nH]2)cc1	ZINC000586937537	EG	Annotated	Anodyne	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)cc1	ZINC000586940702	EG	Annotated	Anodyne	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C)cc3[nH]2)cc1	ZINC000586940703	EG	Annotated	Anodyne	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(F)c3[nH]2)cc1	ZINC000586940848	EG	Annotated	Anodyne	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(F)c3[nH]2)cc1	ZINC000586940849	EG	Annotated	Anodyne	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(F)cc3[nH]2)cc1	ZINC000586941165	EG	Annotated	Anodyne	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(F)cc3[nH]2)cc1	ZINC000586941166	EG	Annotated	Anodyne	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C)c3[nH]2)cc1	ZINC000586941475	EG	Annotated	Anodyne	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C)c3[nH]2)cc1	ZINC000586941476	EG	Annotated	Anodyne	
C=CCc1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12	ZINC000586947884	EG	Annotated	Mild	
C=CCc1cccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12	ZINC000586949225	EG	Annotated	Mild	
CSc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1	ZINC000586949604	EG	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1	ZINC000586949815	EG	Annotated	Anodyne	
Cc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1C	ZINC000586949856	EG	Annotated	Anodyne	
CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Cl)cc2[nH]1	ZINC000586949883	EG	Annotated	Anodyne	
Cc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1C	ZINC000586949951	EG	Annotated	Anodyne	
Cc1c(Cl)ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12	ZINC000586949972	EG	Annotated	Anodyne	
CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(Cl)c2[nH]1	ZINC000586950012	EG	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc12	ZINC000586950050	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c12	ZINC000586950092	EG	Annotated	Anodyne	
Cc1cncc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc12	ZINC000586950104	EG	Annotated	Anodyne	
CCc1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2c1	ZINC000586950192	EG	Annotated	Anodyne	
Cc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Cl	ZINC000586950602	EG	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1	ZINC000586950759	EG	Annotated	Anodyne	
C=CCc1cccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c12	ZINC000586950907	EG	Annotated	Mild	
Cc1cc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2c(C)n1	ZINC000586951045	EG	Annotated	Anodyne	
Cc1nccc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c12	ZINC000586951060	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2n1	ZINC000586951351	EG	Annotated	Anodyne	
Cc1nc(NS(C)(=O)=O)sc1-c1nc2cccc(Cl)c2[nH]1	ZINC000586951689	EG	Annotated	Anodyne	
CCCS(=O)(=O)N1CCC(c2nc3cc(C)cc(C)c3[nH]2)CC1	ZINC000586951938	EG	Annotated	Anodyne	
CCCS(=O)(=O)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1	ZINC000586951970	EG	Annotated	Anodyne	
CCCS(=O)(=O)N1CCC(c2nc3c(C)ccc(C)c3[nH]2)CC1	ZINC000586952318	EG	Annotated	Anodyne	
C=CCc1cccc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c12	ZINC000586952406	EG	Annotated	Mild	
Cc1ccc(C)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc12	ZINC000586952471	EG	Annotated	Anodyne	
Cc1c(F)ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12	ZINC000586952530	EG	Annotated	Anodyne	
C=CCc1cccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c12	ZINC000586952546	EG	Annotated	Mild	
CC1CCC(NS(=O)(=O)Cc2nc3ccc(Cl)cc3[nH]2)CC1	ZINC000586952566	EG	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1	ZINC000586953249	EG	Annotated	Anodyne	
Cc1cc(C)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1	ZINC000586953276	EG	Annotated	Anodyne	
CC1CCC(NS(=O)(=O)Cc2nc3cccc(Cl)c3[nH]2)CC1	ZINC000586953279	EG	Annotated	Anodyne	
Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1C	ZINC000586953286	EG	Annotated	Anodyne	
Cc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1F	ZINC000586953367	EG	Annotated	Anodyne	
CCc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1	ZINC000586953598	EG	Annotated	Anodyne	
Cc1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2c1C	ZINC000586953605	EG	Annotated	Anodyne	
CCCS(=O)(=O)N1CCC(c2nc3ccc(CC)cc3[nH]2)CC1	ZINC000586953631	EG	Annotated	Anodyne	
CCCS(=O)(=O)N1CCC(c2nc3ccc(C)c(C)c3[nH]2)CC1	ZINC000586953744	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2ccc(Br)c(F)c2[nH]1)CC1CC1	ZINC000586957857	EG	Annotated	Anodyne	
O=[S@](Cc1nc2ccc(Br)c(F)c2[nH]1)CC1CC1	ZINC000586957863	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2ccc(F)c(Br)c2[nH]1)CC1CC1	ZINC000586957876	EG	Annotated	Anodyne	
O=[S@](Cc1nc2ccc(F)c(Br)c2[nH]1)CC1CC1	ZINC000586957878	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc(C[S@](=O)CC3CC3)[nH]c12	ZINC000586957896	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc(C[S@@](=O)CC3CC3)[nH]c12	ZINC000586957897	EG	Annotated	Anodyne	
CC(C)(SCc1nc2ccc(Br)c(O)c2[nH]1)C(=O)O	ZINC000586958000	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(CSC(C)(C)C(=O)O)nc2c1	ZINC000586958010	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(CSC(C)(C)C(=O)O)nc12	ZINC000586958017	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(C(C)(C)SCC(=O)O)nc2c1	ZINC000586958364	EG	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)cc1N	ZINC000586958412	EG	Annotated	Anodyne	
Nc1ccc(-c2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)cc1N	ZINC000586958413	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(C(C)(C)SCC(=O)O)nc12	ZINC000586958416	EG	Annotated	Anodyne	
CC(C)(SCC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	ZINC000586958432	EG	Annotated	Bother	
O=[S@](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)CC1CC1	ZINC000586958444	EG	Annotated	Bother	
O=[S@@](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)CC1CC1	ZINC000586958446	EG	Annotated	Bother	
CC(C)(SCc1nc2cccc(Br)c2[nH]1)C(=O)O	ZINC000586958462	EG	Annotated	Anodyne	
O=[S@](Cc1nc2ncc[nH]c-2n1)C(c1ccccc1)c1ccccc1	ZINC000586958730	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2ncc[nH]c-2n1)C(c1ccccc1)c1ccccc1	ZINC000586958737	EG	Annotated	Anodyne	
CC(C)(SCC(=O)O)c1nc2cccc(Br)c2[nH]1	ZINC000586958837	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc(C[S@](=O)CC3CC3)[nH]c12	ZINC000586959104	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc(C[S@@](=O)CC3CC3)[nH]c12	ZINC000586959106	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2c(Br)cnc(Cl)c2[nH]1)CC1CC1	ZINC000586959250	EG	Annotated	Anodyne	
O=[S@](Cc1nc2c(Br)cnc(Cl)c2[nH]1)CC1CC1	ZINC000586959268	EG	Annotated	Anodyne	
CC(C)(SCc1nc2ccc(Br)cc2[nH]1)C(=O)O	ZINC000586959331	EG	Annotated	Anodyne	
O=[S@](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)CC1CC1	ZINC000586959728	EG	Annotated	Bother	
O=[S@@](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)CC1CC1	ZINC000586959730	EG	Annotated	Bother	
Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br	ZINC000586959736	EG	Annotated	Anodyne	
Cc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br	ZINC000586959738	EG	Annotated	Anodyne	
CC(C)(SCC(=O)O)c1nc2ccc(Br)cc2[nH]1	ZINC000586959747	EG	Annotated	Anodyne	
CC(C)(SCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O	ZINC000586959759	EG	Annotated	Bother	
CC(C)(SCC(=O)O)c1nc2ccc(Br)c(O)c2[nH]1	ZINC000586959784	EG	Annotated	Anodyne	
O=[S@](Cc1nc2cnncc2[nH]1)C(c1ccccc1)c1ccccc1	ZINC000586959832	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2cnncc2[nH]1)C(c1ccccc1)c1ccccc1	ZINC000586959833	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C[S@](=O)CC3CC3)nc2c1	ZINC000586960083	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C[S@@](=O)CC3CC3)nc2c1	ZINC000586960084	EG	Annotated	Anodyne	
Cc1nc2[nH]c(CSC(C)(C)C(=O)O)nc2cc1Br	ZINC000586960175	EG	Annotated	Anodyne	
O=[S@](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)CC1CC1	ZINC000586960181	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)CC1CC1	ZINC000586960188	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000586960349	EG	Annotated	Mild	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000586960350	EG	Annotated	Mild	
Cc1nc2[nH]c(C(C)(C)SCC(=O)O)nc2cc1Br	ZINC000586960596	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2c(Cl)c(Br)cnc2[nH]1)CC1CC1	ZINC000586960602	EG	Annotated	Anodyne	
O=[S@](Cc1nc2c(Cl)c(Br)cnc2[nH]1)CC1CC1	ZINC000586960604	EG	Annotated	Anodyne	
N#Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1C(F)(F)F	ZINC000586960615	EG	Annotated	Mild	
N#Cc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1C(F)(F)F	ZINC000586960622	EG	Annotated	Mild	
O=[S@@](Cc1nc2cc(Br)cc(F)c2[nH]1)CC1CC1	ZINC000586960627	EG	Annotated	Anodyne	
O=[S@](Cc1nc2cc(Br)cc(F)c2[nH]1)CC1CC1	ZINC000586960629	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2cc(F)cc(Br)c2[nH]1)CC1CC1	ZINC000586960707	EG	Annotated	Anodyne	
O=[S@](Cc1nc2cc(F)cc(Br)c2[nH]1)CC1CC1	ZINC000586960709	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@@H](C)Sc3ncccn3)nc2cc1OC	ZINC000586960829	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@H](C)Sc3ncccn3)nc2cc1OC	ZINC000586960830	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2cc(Br)c(F)cc2[nH]1)CC1CC1	ZINC000586960937	EG	Annotated	Anodyne	
O=[S@](Cc1nc2cc(Br)c(F)cc2[nH]1)CC1CC1	ZINC000586960939	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2c(Br)ccnc2[nH]1	ZINC000586961005	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2c(Br)ccnc2[nH]1	ZINC000586961008	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1	ZINC000586961054	EG	Annotated	Anodyne	
O=C(c1ccccc1)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1	ZINC000586961056	EG	Annotated	Anodyne	
C=CCc1cccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12	ZINC000586961060	EG	Annotated	Mild	
C=CCc1cccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12	ZINC000586961061	EG	Annotated	Mild	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586961227	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000586961229	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12	ZINC000586961284	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12	ZINC000586961287	EG	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1	ZINC000586961315	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc3ncccc3c2[nH]1	ZINC000586961328	EG	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1	ZINC000586961426	EG	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1	ZINC000586961429	EG	Annotated	Anodyne	
O=[S@](Cc1nc2cncnc2[nH]1)C(c1ccccc1)c1ccccc1	ZINC000586961458	EG	Annotated	Anodyne	
O=[S@@](Cc1nc2cncnc2[nH]1)C(c1ccccc1)c1ccccc1	ZINC000586961459	EG	Annotated	Anodyne	
Cc1c(Cl)ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c12	ZINC000586961487	EG	Annotated	Anodyne	
Cc1c(Cl)ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c12	ZINC000586961489	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cncc(Br)c2[nH]1	ZINC000586961684	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cncc(Br)c2[nH]1	ZINC000586961685	EG	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1	ZINC000586961736	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)c(F)cc2[nH]1	ZINC000586961740	EG	Annotated	Anodyne	
Cc1cc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Cl	ZINC000586961859	EG	Annotated	Anodyne	
Cc1cc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2cc1Cl	ZINC000586961860	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(Br)ncc2[nH]1	ZINC000586961980	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(Br)ncc2[nH]1	ZINC000586961981	EG	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000586961984	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000586961985	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1	ZINC000586962004	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1	ZINC000586962007	EG	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586962096	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Cl)cc(F)c2[nH]1	ZINC000586962097	EG	Annotated	Anodyne	
C[C@@H](SCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000586962245	EG	Annotated	Reactive	
C[C@H](SCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000586962248	EG	Annotated	Reactive	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CO)cc2[nH]1	ZINC000586962308	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CO)cc2[nH]1	ZINC000586962309	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ncnc2[nH]1	ZINC000586962315	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(Cl)ncnc2[nH]1	ZINC000586962322	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)O)c2[nH]1	ZINC000586962389	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)O)c2[nH]1	ZINC000586962391	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2ccc(Br)nc2[nH]1	ZINC000586962428	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2ccc(Br)nc2[nH]1	ZINC000586962429	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(OC)c2[nH]1	ZINC000586962548	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccnc(OC)c2[nH]1	ZINC000586962550	EG	Annotated	Anodyne	
C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1	ZINC000586962608	EG	Annotated	Anodyne	
C[C@H](Sc1nc(N)cc(O)n1)c1nc2cnc3ccccc3c2[nH]1	ZINC000586962609	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1	ZINC000586962668	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1	ZINC000586962670	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cncc(OC)c2[nH]1	ZINC000586962746	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cncc(OC)c2[nH]1	ZINC000586962748	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C#N)c2[nH]1	ZINC000586962771	EG	Annotated	Mild	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C#N)c2[nH]1	ZINC000586962773	EG	Annotated	Mild	
CSc1ccc2nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1	ZINC000586962942	EG	Annotated	Anodyne	
CSc1ccc2nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c2c1	ZINC000586962943	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000586962961	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000586962962	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC)nc2[nH]1	ZINC000586963069	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(OC)nc2[nH]1	ZINC000586963070	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000586963135	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000586963137	EG	Annotated	Anodyne	
C[C@@H](SCc1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	ZINC000586963211	EG	Annotated	Anodyne	
C[C@H](SCc1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1	ZINC000586963212	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc(Br)cnc2[nH]1	ZINC000586963216	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc(Br)cnc2[nH]1	ZINC000586963217	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2ccnc(Br)c2[nH]1	ZINC000586963286	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2ccnc(Br)c2[nH]1	ZINC000586963288	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1OC	ZINC000586963291	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2c1OC	ZINC000586963292	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C#N)cc2[nH]1	ZINC000586963432	EG	Annotated	Mild	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C#N)cc2[nH]1	ZINC000586963433	EG	Annotated	Mild	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)ncc2[nH]1	ZINC000586963577	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(OC)ncc2[nH]1	ZINC000586963578	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cnc(Cl)[nH]c-2n1	ZINC000586963601	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cnc(Cl)[nH]c-2n1	ZINC000586963603	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000586963991	EG	Annotated	Bother	
C[C@H](Sc1ncccn1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000586963992	EG	Annotated	Bother	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CCO)cc2[nH]1	ZINC000586964122	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(CCO)cc2[nH]1	ZINC000586964123	EG	Annotated	Anodyne	
C[C@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586964137	EG	Annotated	Anodyne	
C[C@@H](Sc1ncccn1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586964138	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2nc(Cl)c[nH]c-2n1	ZINC000586964252	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2nc(Cl)c[nH]c-2n1	ZINC000586964253	EG	Annotated	Anodyne	
N#Cc1ccccc1SCc1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000586964374	EG	Annotated	Mild	
N#Cc1ccccc1SCc1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000586964388	EG	Annotated	Mild	
Cc1ccc(SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)c1	ZINC000586964391	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000586964402	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000586964403	EG	Annotated	Anodyne	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000586964434	EG	Annotated	Anodyne	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000586964435	EG	Annotated	Anodyne	
N#Cc1ccccc1SCc1nc2c(S)nc(S)nc2[nH]1	ZINC000586964486	EG	Annotated	Mild	
Cc1ccc(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)c(C)c1	ZINC000586964890	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(CSc3ccccc3C#N)[nH]c2c1	ZINC000586964894	EG	Annotated	Mild	
Cc1ccc(SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1	ZINC000586965422	EG	Annotated	Anodyne	
N#Cc1ccccc1SCc1nc2nc(Br)c[nH]c-2n1	ZINC000586965465	EG	Annotated	Mild	
Cc1ccc(-c2nnc(SCc3nc4cnccc4[nH]3)n2C)cc1	ZINC000586965762	EG	Annotated	Anodyne	
Cc1ccc(-c2nnc(SCc3nc4cccnc4[nH]3)n2C)cc1	ZINC000586966020	EG	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3ncc[nH]c-3n2)c(C)c1	ZINC000586966088	EG	Annotated	Anodyne	
Oc1cc(O)nc(SCc2nc3ccc(C(F)(F)F)cc3[nH]2)n1	ZINC000586966226	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cc(F)c(F)c(F)c3[nH]2)n1	ZINC000586966255	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cnc4ccccc4c3[nH]2)n1	ZINC000586966287	EG	Annotated	Anodyne	
Fc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1	ZINC000586966306	EG	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cnncc3[nH]2)c(C)c1	ZINC000586966353	EG	Annotated	Anodyne	
c1cncc(-c2noc(SCc3nc4cc5cn[nH]c5cc4[nH]3)n2)c1	ZINC000586966427	EG	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1	ZINC000586966522	EG	Annotated	Anodyne	
Oc1cc(O)nc(SCc2nc3cccc(C(F)(F)F)c3[nH]2)n1	ZINC000586966547	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cc(OC)c(F)cc3[nH]2)n1	ZINC000586966550	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3ccc(C(C)=O)cc3[nH]2)n1	ZINC000586966556	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3c(C)cnc(Cl)c3[nH]2)n1	ZINC000586966579	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3ccc4ncccc4c3[nH]2)n1	ZINC000586966591	EG	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1	ZINC000586966630	EG	Annotated	Mild	
Cc1cnc(Cl)c2[nH]c(CSc3ncccc3C(=O)O)nc12	ZINC000586966633	EG	Annotated	Anodyne	
Clc1cncc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586966634	EG	Annotated	Anodyne	
N#Cc1cc(Cl)c2nc(-c3cccnc3SCC(=O)O)[nH]c2c1	ZINC000586966652	EG	Annotated	Mild	
Clc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2n1	ZINC000586966665	EG	Annotated	Anodyne	
Cc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c(C)n1	ZINC000586966705	EG	Annotated	Anodyne	
Clc1ccnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc12	ZINC000586966707	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3c(F)cnc(Cl)c3[nH]2)n1	ZINC000586966858	EG	Annotated	Anodyne	
Cc1ccc(-n2ccnc2SCc2nc3cncnc3[nH]2)c(C)c1	ZINC000586966874	EG	Annotated	Anodyne	
N#Cc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586966954	EG	Annotated	Mild	
CC(C)(C)c1cccc2nc(CSc3nc(O)cc(O)n3)[nH]c12	ZINC000586966966	EG	Annotated	Anodyne	
Oc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1	ZINC000586966969	EG	Annotated	Anodyne	
Oc1cc(O)nc(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)n1	ZINC000586966992	EG	Annotated	Anodyne	
O=C(O)c1cccnc1SCc1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000586967003	EG	Annotated	Anodyne	
COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1F	ZINC000586967010	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cc(C#N)cc(Cl)c3[nH]2)n1	ZINC000586967057	EG	Annotated	Mild	
Oc1cc(O)nc(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)n1	ZINC000586967069	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2nc(-c3cccnc3SCC(=O)O)[nH]c12	ZINC000586967195	EG	Annotated	Anodyne	
COc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586967249	EG	Annotated	Anodyne	
Clc1nccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586967261	EG	Annotated	Anodyne	
Clc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cn1	ZINC000586967331	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cc(OC)c(C)cc3[nH]2)n1	ZINC000586967345	EG	Annotated	Anodyne	
CCc1cc(O)nc(SCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)n1	ZINC000586967375	EG	Annotated	Bother	
O=C(O)CSc1ncccc1-c1nc2c(F)c(F)c(F)cc2[nH]1	ZINC000586967411	EG	Annotated	Anodyne	
N#Cc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1	ZINC000586967429	EG	Annotated	Mild	
Clc1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1	ZINC000586967431	EG	Annotated	Anodyne	
Oc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586967460	EG	Annotated	Anodyne	
Fc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12	ZINC000586967471	EG	Annotated	Anodyne	
O=C(O)c1cccnc1SCc1nc2ccc3ncccc3c2[nH]1	ZINC000586967809	EG	Annotated	Anodyne	
CC(C)(C)c1ccc2[nH]c(-c3cccnc3SCC(=O)O)nc2n1	ZINC000586967954	EG	Annotated	Anodyne	
O=C(O)CSc1ncccc1-c1nc2c(cnc3ccccc32)[nH]1	ZINC000586968226	EG	Annotated	Anodyne	
O=C(O)c1cccnc1SCc1nc2cnc3ccccc3c2[nH]1	ZINC000586968301	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1	ZINC000586968363	EG	Annotated	Anodyne	
Cc1cc2[nH]c(CSc3ncccc3C(=O)O)nc2cc1[N+](=O)[O-]	ZINC000586968416	EG	Annotated	Bother	
O=C(O)c1cccnc1SCc1nc2c(F)cnc(Cl)c2[nH]1	ZINC000586968453	EG	Annotated	Anodyne	
O=C(O)CSc1ncccc1-c1nc2c(ccc3ncccc32)[nH]1	ZINC000586968460	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000586968559	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000586968567	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000586968917	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000586968995	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2cccc(Br)c2[nH]1	ZINC000586969240	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000586969524	EG	Annotated	Anodyne	
CSCC(C)(C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000586969528	EG	Annotated	Anodyne	
COc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1C	ZINC000586969595	EG	Annotated	Anodyne	
CSCC(C)(C)c1nc2cc(I)cnc2[nH]1	ZINC000586969687	EG	Annotated	Anodyne	
Cc1ccc(CSCCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1	ZINC000586970006	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000586970014	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Cl	ZINC000586970285	EG	Annotated	Bother	
[O-][n+]1ccccc1SCc1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000586970367	EG	Annotated	Anodyne	
[O-][n+]1ccccc1SCc1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000586970368	EG	Annotated	Anodyne	
COC(C)(C)[C@@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000586970433	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000586970434	EG	Annotated	Reactive	
O=[N+]([O-])c1cc(Br)cc2nc(CBr)[nH]c12	ZINC000586970445	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000586970566	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000586970567	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000586970673	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000586970674	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000586970780	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000586970781	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000586970878	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000586970879	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000586970884	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000586970886	EG	Annotated	Reactive	
COC(=O)c1cc(Br)c2[nH]c(CBr)nc2c1	ZINC000586970966	EG	Annotated	Reactive	
Clc1c(Br)cnc2[nH]c(CBr)nc12	ZINC000586971118	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586971200	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000586971201	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000586971212	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000586971213	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000586971215	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000586971217	EG	Annotated	Reactive	
Clc1ncc(Br)c2nc(CBr)[nH]c12	ZINC000586971220	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cccc(C(=O)O)c2[nH]1	ZINC000586971244	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cccc(C(=O)O)c2[nH]1	ZINC000586971245	EG	Annotated	Reactive	
COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1OC	ZINC000586971263	EG	Annotated	Reactive	
COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1OC	ZINC000586971266	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1	ZINC000586971321	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1	ZINC000586971322	EG	Annotated	Reactive	
O=[N+]([O-])c1c(Br)ccc2nc(CBr)[nH]c12	ZINC000586971356	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000586971420	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000586971421	EG	Annotated	Reactive	
COc1cc(OC)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1	ZINC000586971429	EG	Annotated	Reactive	
COc1cc(OC)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1	ZINC000586971431	EG	Annotated	Reactive	
COC(=O)c1cccc2nc([C@@H](Br)C(C)(C)OC)[nH]c12	ZINC000586971688	EG	Annotated	Reactive	
COC(=O)c1cccc2nc([C@H](Br)C(C)(C)OC)[nH]c12	ZINC000586971689	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000586971699	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000586971700	EG	Annotated	Reactive	
COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1	ZINC000586971711	EG	Annotated	Reactive	
COC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1	ZINC000586971712	EG	Annotated	Reactive	
COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000586971836	EG	Annotated	Reactive	
COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000586971837	EG	Annotated	Reactive	
CCCC(Br)(CCC)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000586971863	EG	Annotated	Mild	
Cc1ccc(CSCCc2nc3c(O)nc(S)nc3[nH]2)cc1	ZINC000586971875	EG	Annotated	Anodyne	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c[nH]c(=N)[nH]c-2n1	ZINC000586971918	EG	Annotated	Bother	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cnnc(O)c2[nH]1	ZINC000586972013	EG	Annotated	Bother	
BrCCCCc1nc2ccnc(Br)c2[nH]1	ZINC000586972043	EG	Annotated	Reactive	
BrCCCCc1nc2cc(Br)cnc2[nH]1	ZINC000586972044	EG	Annotated	Reactive	
O=[N+]([O-])c1cc2nc(CCCCBr)[nH]c2cc1[N+](=O)[O-]	ZINC000586972050	EG	Annotated	Reactive	
Fc1c(Br)cc2nc(CBr)[nH]c2c1F	ZINC000586972070	EG	Annotated	Reactive	
Cc1c(Br)cnc2[nH]c(/C=C\CBr)nc12	ZINC000586972117	EG	Annotated	Reactive	
Cc1c(Br)cnc2[nH]c(/C=C/CBr)nc12	ZINC000586972118	EG	Annotated	Reactive	
BrCCCCc1nc2cncc(Br)c2[nH]1	ZINC000586972149	EG	Annotated	Reactive	
Oc1c(Br)ccc2nc(/C=C/CBr)[nH]c12	ZINC000586972222	EG	Annotated	Reactive	
Oc1c(Br)ccc2nc(/C=C\CBr)[nH]c12	ZINC000586972224	EG	Annotated	Reactive	
BrCCCCc1nc2c(Br)ccnc2[nH]1	ZINC000586972242	EG	Annotated	Reactive	
BrCc1nc2cccc(I)c2[nH]1	ZINC000586972301	EG	Annotated	Reactive	
COC(=O)c1cc2[nH]c(CCCCBr)nc2cc1OC	ZINC000586972333	EG	Annotated	Reactive	
BrCc1nc2ccc(I)cc2[nH]1	ZINC000586972344	EG	Annotated	Reactive	
BrCCCCc1nc2ccc(Br)nc2[nH]1	ZINC000586972349	EG	Annotated	Reactive	
O=C1c2ccccc2C(=O)c2c1ccc1nc(CBr)[nH]c21	ZINC000586972381	EG	Annotated	Reactive	
COC(=O)c1ccc2nc(CCCCBr)[nH]c2c1OC	ZINC000586972421	EG	Annotated	Reactive	
BrCCCCc1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000586972423	EG	Annotated	Reactive	
BrCCCCc1nc2cc(Br)ncc2[nH]1	ZINC000586972586	EG	Annotated	Reactive	
Cc1nc2[nH]c(/C=C\CBr)nc2cc1Br	ZINC000586972683	EG	Annotated	Reactive	
Cc1nc2[nH]c(/C=C/CBr)nc2cc1Br	ZINC000586972686	EG	Annotated	Reactive	
CCOC(=O)Cc1ccc2nc(CCCCBr)[nH]c2c1	ZINC000586972725	EG	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cnccc2[nH]1	ZINC000586973056	EG	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnccc2[nH]1	ZINC000586973057	EG	Annotated	Anodyne	
C[C@H](c1ccc(CBr)cc1)c1nc2c(O)ncnc2[nH]1	ZINC000586973472	EG	Annotated	Reactive	
C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)ncnc2[nH]1	ZINC000586973474	EG	Annotated	Reactive	
Fc1cnc(Br)c2[nH]c(/C=C/CBr)nc12	ZINC000586973547	EG	Annotated	Reactive	
Fc1cnc(Br)c2[nH]c(/C=C\CBr)nc12	ZINC000586973551	EG	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)nccc2[nH]1	ZINC000586973566	EG	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)nccc2[nH]1	ZINC000586973568	EG	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/CBr)nc1-2	ZINC000586973569	EG	Annotated	Reactive	
FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\CBr)nc1-2	ZINC000586973571	EG	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)cnc2[nH]1	ZINC000586973605	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(/C=C\CBr)nc2c1	ZINC000586973607	EG	Annotated	Reactive	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)cnc2[nH]1	ZINC000586973608	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(/C=C/CBr)nc2c1	ZINC000586973611	EG	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)cnc2[nH]1	ZINC000586973685	EG	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)cnc2[nH]1	ZINC000586973687	EG	Annotated	Anodyne	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cncc(C)c2[nH]1	ZINC000586973694	EG	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cncc(C)c2[nH]1	ZINC000586973696	EG	Annotated	Anodyne	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(O)ncnc2[nH]1	ZINC000586973902	EG	Annotated	Bother	
C[C@H](c1ccc(CBr)cc1)c1nc2cc[nH]c(=N)c2[nH]1	ZINC000586974416	EG	Annotated	Reactive	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc[nH]c(=N)c2[nH]1	ZINC000586974418	EG	Annotated	Reactive	
C[C@H](c1ccc(CBr)cc1)c1nc2cnnc(O)c2[nH]1	ZINC000586974510	EG	Annotated	Reactive	
C[C@@H](c1ccc(CBr)cc1)c1nc2cnnc(O)c2[nH]1	ZINC000586974512	EG	Annotated	Reactive	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(C)ccnc2[nH]1	ZINC000586974533	EG	Annotated	Anodyne	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(C)ccnc2[nH]1	ZINC000586974534	EG	Annotated	Anodyne	
C[C@H](c1ccc(CBr)cc1)c1nc2cc(=N)[nH]cc2[nH]1	ZINC000586974765	EG	Annotated	Reactive	
C[C@@H](c1ccc(CBr)cc1)c1nc2cc(=N)[nH]cc2[nH]1	ZINC000586974766	EG	Annotated	Reactive	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(N)ncnc2[nH]1	ZINC000586974995	EG	Annotated	Bother	
COc1cc(/C=C/c2nc3cnnc(O)c3[nH]2)ccc1Br	ZINC000586975938	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cnnc(O)c3[nH]2)ccc1Br	ZINC000586975945	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3c(N)ccnc3[nH]2)ccc1Br	ZINC000586976013	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3c(N)ccnc3[nH]2)ccc1Br	ZINC000586976018	EG	Annotated	Anodyne	
Clc1ccc(OCc2nc3cncnc3[nH]2)c(Br)c1	ZINC000586976159	EG	Annotated	Anodyne	
Clc1ccc(OCc2nc3ncc[nH]c-3n2)c(Br)c1	ZINC000586976172	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3ncc[nH]c-3n2)ccc1Br	ZINC000586976203	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3ncc[nH]c-3n2)ccc1Br	ZINC000586976207	EG	Annotated	Anodyne	
Cc1cc(Cc2nc3cc(N)c(N)cc3[nH]2)ccc1Br	ZINC000586976316	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cnncc3[nH]2)ccc1Br	ZINC000586976365	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cnncc3[nH]2)ccc1Br	ZINC000586976367	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cncnc3[nH]2)ccc1Br	ZINC000586977317	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cncnc3[nH]2)ccc1Br	ZINC000586977318	EG	Annotated	Anodyne	
Clc1ccc(OCc2nc3cnncc3[nH]2)c(Br)c1	ZINC000586977554	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)ccc1Br	ZINC000586977685	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)ccc1Br	ZINC000586977686	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc[nH]c(=N)c3[nH]2)ccc1Br	ZINC000586977990	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc[nH]c(=N)c3[nH]2)ccc1Br	ZINC000586977991	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3c(Cl)ccnc3[nH]2)c(C)c1Br	ZINC000586978659	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(F)cc(F)c3[nH]2)c(C)c1Br	ZINC000586978664	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3ccc(Cl)nc3[nH]2)c(C)c1Br	ZINC000586978697	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3cc4cn[nH]c4cc3[nH]2)c(C)c1Br	ZINC000586978728	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1	ZINC000586978739	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3ccnc(Cl)c3[nH]2)c(C)c1Br	ZINC000586978758	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(Cl)ncc3[nH]2)c(C)c1Br	ZINC000586978775	EG	Annotated	Anodyne	
COc1cccc2nc(Cn3nc(C)c(Br)c3C)[nH]c12	ZINC000586978808	EG	Annotated	Anodyne	
Cc1ncc(-c2nc3cc(N)c(N)cc3[nH]2)c(C)c1Br	ZINC000586978868	EG	Annotated	Anodyne	
COc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2n1	ZINC000586978888	EG	Annotated	Anodyne	
Cc1ncc(-c2nc3ccc(CO)cc3[nH]2)c(C)c1Br	ZINC000586978911	EG	Annotated	Anodyne	
COc1nccc2nc(-c3ccnc(Cl)c3Br)[nH]c12	ZINC000586978933	EG	Annotated	Anodyne	
Cc1ncc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1Br	ZINC000586978972	EG	Annotated	Bother	
Cc1nn(Cc2nc3cc(Cl)cnc3[nH]2)c(C)c1Br	ZINC000586979044	EG	Annotated	Anodyne	
Cc1cc2[nH]c(Cn3nc(C)c(Br)c3C)nc2c(C)n1	ZINC000586979052	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3ccc(C#N)cc3[nH]2)c(C)c1Br	ZINC000586979065	EG	Annotated	Mild	
Oc1nccc2nc(-c3ccnc(Cl)c3Br)[nH]c12	ZINC000586979094	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cccc(F)c3[nH]2)c1Br	ZINC000586979111	EG	Annotated	Anodyne	
Cc1ncc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1Br	ZINC000586979116	EG	Annotated	Bother	
Cc1ncc(-c2nc3nc(Cl)c[nH]c-3n2)c(C)c1Br	ZINC000586979163	EG	Annotated	Anodyne	
Cc1ncc(-c2nc3c(Cl)ncnc3[nH]2)c(C)c1Br	ZINC000586979173	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3cncc(Cl)c3[nH]2)c(C)c1Br	ZINC000586979198	EG	Annotated	Anodyne	
Nc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1N	ZINC000586979201	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3cc(F)c(F)cc3[nH]2)c(C)c1Br	ZINC000586979210	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3cccc(C#N)c3[nH]2)c(C)c1Br	ZINC000586979212	EG	Annotated	Mild	
Clc1ncc2nc(-c3ccnc(Cl)c3Br)nc-2[nH]1	ZINC000586979255	EG	Annotated	Anodyne	
Cc1nn(Cc2nc3ccc(F)c(F)c3[nH]2)c(C)c1Br	ZINC000586979263	EG	Annotated	Anodyne	
Cc1ncc(-c2nc3cnc(Cl)[nH]c-3n2)c(C)c1Br	ZINC000586979282	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cccc(OC)c3[nH]2)c1Br	ZINC000586979306	EG	Annotated	Anodyne	
COc1nccc2nc(-c3cnc(C)c(Br)c3C)[nH]c12	ZINC000586979530	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3c(Cl)ccnc3[nH]2)c1Br	ZINC000586979531	EG	Annotated	Anodyne	
Cc1c(-c2nc3c(N)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979540	EG	Annotated	Bother	
CCOc1n[nH]c(-c2nc3ccnc(Cl)c3[nH]2)c1Br	ZINC000586979560	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Cl)cnc3[nH]2)c1Br	ZINC000586979585	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cncc(Cl)c3[nH]2)c1Br	ZINC000586979594	EG	Annotated	Anodyne	
COc1cncc2nc(-c3ccnc(Cl)c3Br)[nH]c12	ZINC000586979600	EG	Annotated	Anodyne	
Cc1c(-c2nc3ccnc(O)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979624	EG	Annotated	Bother	
COc1cncc2nc(-c3cnc(C)c(Br)c3C)[nH]c12	ZINC000586979628	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3c(C)nc(C)cc3[nH]2)c1Br	ZINC000586979642	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3ccnc(Cl)c3Br)nc-2n1	ZINC000586979643	EG	Annotated	Anodyne	
Clc1nccc(-c2nc3c(Cl)ncnc3[nH]2)c1Br	ZINC000586979692	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc(=N)[nH]cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586979731	EG	Annotated	Bother	
CCOc1n[nH]c(-c2nc3ccc(F)c(F)c3[nH]2)c1Br	ZINC000586979735	EG	Annotated	Anodyne	
COc1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2n1	ZINC000586979817	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3ccc(Cl)nc3[nH]2)c1Br	ZINC000586979828	EG	Annotated	Anodyne	
COc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1	ZINC000586979844	EG	Annotated	Anodyne	
COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cn1	ZINC000586979920	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(F)cc(F)c3[nH]2)c1Br	ZINC000586979962	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Cl)ncc3[nH]2)c1Br	ZINC000586979967	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc[nH]c(=N)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	ZINC000586980199	EG	Annotated	Bother	
CCOc1n[nH]c(-c2nc3ccc(C(C)=O)cc3[nH]2)c1Br	ZINC000586980256	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(F)c(F)cc3[nH]2)c1Br	ZINC000586980365	EG	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2c(N)ccnc2[nH]1	ZINC000586981010	EG	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2cc(N)c(N)cc2[nH]1	ZINC000586981012	EG	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2ccnc(O)c2[nH]1	ZINC000586981304	EG	Annotated	Anodyne	
COc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2n1	ZINC000586981389	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3c(Cl)ncnc3[nH]2)c1	ZINC000586981407	EG	Annotated	Anodyne	
COc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cn1	ZINC000586981419	EG	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2cc(=N)[nH]cc2[nH]1	ZINC000586981437	EG	Annotated	Anodyne	
Cc1cc(Br)ccc1OCc1nc2cc[nH]c(=N)c2[nH]1	ZINC000586981663	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3ccc(CO)cc3[nH]2)c1	ZINC000586981798	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3ccc(CCO)cc3[nH]2)c1	ZINC000586982238	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1	ZINC000586982272	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1	ZINC000586982686	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1	ZINC000586982694	EG	Annotated	Bother	
COc1nccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12	ZINC000586982860	EG	Annotated	Anodyne	
COc1cncc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12	ZINC000586982942	EG	Annotated	Anodyne	
O=Cc1cc(Br)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1	ZINC000586983189	EG	Annotated	Bother	
N[C@H](Cc1cccc(Br)c1)c1nc2ccc(CO)cc2[nH]1	ZINC000586983281	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(CO)cc2[nH]1	ZINC000586983282	EG	Annotated	Anodyne	
N#Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1	ZINC000586983553	EG	Annotated	Mild	
N#Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1	ZINC000586983554	EG	Annotated	Mild	
Cc1cncc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586983564	EG	Annotated	Anodyne	
Cc1cncc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586983565	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12	ZINC000586983571	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12	ZINC000586983572	EG	Annotated	Anodyne	
N[C@H](Cc1cccc(Br)c1)c1nc2ccc(O)cc2[nH]1	ZINC000586983669	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(O)cc2[nH]1	ZINC000586983671	EG	Annotated	Anodyne	
Cc1nccc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc12	ZINC000586983682	EG	Annotated	Anodyne	
Cc1nccc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc12	ZINC000586983684	EG	Annotated	Anodyne	
Cc1cnc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2c1	ZINC000586983730	EG	Annotated	Anodyne	
Cc1cnc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2c1	ZINC000586983731	EG	Annotated	Anodyne	
Cc1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2n1	ZINC000586984049	EG	Annotated	Anodyne	
Cc1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2n1	ZINC000586984050	EG	Annotated	Anodyne	
N[C@H](Cc1cccc(Br)c1)c1nc2cccc(O)c2[nH]1	ZINC000586984475	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(O)c2[nH]1	ZINC000586984476	EG	Annotated	Anodyne	
N[C@H](Cc1cccc(Br)c1)c1nc2cc(F)cnc2[nH]1	ZINC000586985102	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(Br)c1)c1nc2cc(F)cnc2[nH]1	ZINC000586985104	EG	Annotated	Anodyne	
N#Cc1cccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586985116	EG	Annotated	Mild	
N#Cc1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12	ZINC000586985117	EG	Annotated	Mild	
Cc1c(-c2ncnn2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586986478	EG	Annotated	Anodyne	
C/C(=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCCO	ZINC000586987201	EG	Annotated	Anodyne	
C/C(=C\c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCCO	ZINC000586987205	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3C[N+](=O)[O-]	ZINC000586987325	EG	Annotated	Bother	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3C[N+](=O)[O-]	ZINC000586987329	EG	Annotated	Bother	
O=C1c2ccccc2-c2cc(Cn3cccn3)nc3ccc(O)c1c23	ZINC000586987340	EG	Annotated	Anodyne	
N=c1[nH]ccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586987387	EG	Annotated	Anodyne	
C[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)n1cncn1	ZINC000586987391	EG	Annotated	Anodyne	
C[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)n1cncn1	ZINC000586987392	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@@]3(F)CCOC3=O)nc3ccc(O)c1c23	ZINC000586987427	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@]3(F)CCOC3=O)nc3ccc(O)c1c23	ZINC000586987429	EG	Annotated	Anodyne	
Cn1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1N	ZINC000586987609	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C[N+](=O)[O-])C3	ZINC000586987657	EG	Annotated	Bother	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C[N+](=O)[O-])C3	ZINC000586987658	EG	Annotated	Bother	
Cn1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1	ZINC000586987851	EG	Annotated	Anodyne	
N=c1[nH]cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)o1	ZINC000586987905	EG	Annotated	Anodyne	
N=c1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc[nH]1	ZINC000586988048	EG	Annotated	Anodyne	
Cc1c(Cn2cncn2)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586988124	EG	Annotated	Anodyne	
CN1CCc2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O	ZINC000586988221	EG	Annotated	Anodyne	
CC(=O)N[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586988996	EG	Annotated	Anodyne	
CC(=O)N[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586988997	EG	Annotated	Anodyne	
Cc1noc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1	ZINC000586989202	EG	Annotated	Anodyne	
CC(=O)OC(=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O	ZINC000586989214	EG	Annotated	Reactive	
O=C1c2ccccc2-c2cc(-c3cc(CO)on3)nc3ccc(O)c1c23	ZINC000586989243	EG	Annotated	Anodyne	
COC(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OC	ZINC000586989264	EG	Annotated	Anodyne	
COCCc1c(COC)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586989413	EG	Annotated	Anodyne	
CCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586989420	EG	Annotated	Anodyne	
COC(=O)[C@@H](OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586989488	EG	Annotated	Anodyne	
COC(=O)[C@H](OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586989489	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(=O)O)C3	ZINC000586989524	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C(=O)O)C3	ZINC000586989525	EG	Annotated	Anodyne	
Cc1nc2ccc(O)c3c2c(c1CCC(=O)O)-c1ccccc1C3=O	ZINC000586989566	EG	Annotated	Anodyne	
O=C(O)C1=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586989738	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3ccc(O)nn3)nc3ccc(O)c1c23	ZINC000586989861	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@H]3CCCNC3=O)nc3ccc(O)c1c23	ZINC000586990137	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@@H]3CCCNC3=O)nc3ccc(O)c1c23	ZINC000586990141	EG	Annotated	Anodyne	
CC(=O)C(C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586990221	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586990223	EG	Annotated	Anodyne	
COC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586990232	EG	Annotated	Anodyne	
COC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586990295	EG	Annotated	Anodyne	
COC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1	ZINC000586990305	EG	Annotated	Anodyne	
CCc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O	ZINC000586990461	EG	Annotated	Anodyne	
O=C(O)C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586990471	EG	Annotated	Anodyne	
O=C(O)C[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586990473	EG	Annotated	Anodyne	
CC1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)COCOC1	ZINC000586990514	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586990611	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586990613	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(C3(C(=O)O)CC3)nc3ccc(O)c1c23	ZINC000586990642	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]3C(=O)O	ZINC000586990901	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]3C(=O)O	ZINC000586990917	EG	Annotated	Anodyne	
C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1O)-c1ccccc1C4=O	ZINC000586990968	EG	Annotated	Anodyne	
C[C@H]1Cc2nc3ccc(O)c4c3c(c2C[C@@H]1O)-c1ccccc1C4=O	ZINC000586990970	EG	Annotated	Anodyne	
C[C@H]1Cc2nc3ccc(O)c4c3c(c2C[C@H]1O)-c1ccccc1C4=O	ZINC000586990972	EG	Annotated	Anodyne	
C[C@@H]1Cc2nc3ccc(O)c4c3c(c2C[C@@H]1O)-c1ccccc1C4=O	ZINC000586990974	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(=O)O)CC3	ZINC000586991267	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C(=O)O)CC3	ZINC000586991268	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](CO)C3	ZINC000586991329	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](CO)C3	ZINC000586991330	EG	Annotated	Anodyne	
C=CCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586991398	EG	Annotated	Mild	
COC(=O)Cc1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O	ZINC000586991403	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](CO)CC3	ZINC000586991518	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](CO)CC3	ZINC000586991519	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(C3=COCCO3)nc3ccc(O)c1c23	ZINC000586991525	EG	Annotated	Anodyne	
COC(=O)[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586991537	EG	Annotated	Anodyne	
COC(=O)[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586991539	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@H]3CCOC3=O)nc3ccc(O)c1c23	ZINC000586991547	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@@H]3CCOC3=O)nc3ccc(O)c1c23	ZINC000586991548	EG	Annotated	Anodyne	
COC(=O)/C=C/c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586991906	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1=C(C3)OCOC1	ZINC000586991923	EG	Annotated	Anodyne	
C[C@@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)O	ZINC000586991925	EG	Annotated	Anodyne	
C[C@H](Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)O	ZINC000586991927	EG	Annotated	Anodyne	
COC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	ZINC000586992132	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586992161	EG	Annotated	Anodyne	
Cc1c(CCC(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586992183	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c(CCC3OCCO3)cnc3ccc(O)c1c23	ZINC000586992246	EG	Annotated	Anodyne	
COC(=O)[C@H]1CCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O	ZINC000586992575	EG	Annotated	Anodyne	
COC(=O)C[C@@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586992602	EG	Annotated	Anodyne	
COC(=O)C[C@H]1Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586992604	EG	Annotated	Anodyne	
COC(=O)C1=Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586992645	EG	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586992650	EG	Annotated	Anodyne	
COC(=O)[C@H]1Cc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O	ZINC000586992651	EG	Annotated	Anodyne	
CCc1c(CC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O	ZINC000586992659	EG	Annotated	Anodyne	
COC(=O)[C@@H]1C=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586992671	EG	Annotated	Anodyne	
COC(=O)[C@H]1C=Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O	ZINC000586992673	EG	Annotated	Anodyne	
OCc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1	ZINC000586994799	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2c(O)ncnc2[nH]1	ZINC000586994814	EG	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000586994843	EG	Annotated	Anodyne	
COc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1	ZINC000586994860	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cnnc(O)c2[nH]1	ZINC000586994981	EG	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(N)=O)C4)-c1ccccc1C2=O	ZINC000586995126	EG	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CC[C@H](C(N)=O)C4)-c1ccccc1C2=O	ZINC000586995130	EG	Annotated	Anodyne	
COc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1	ZINC000586995268	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cncnc2[nH]1	ZINC000586995372	EG	Annotated	Anodyne	
CC(=O)N[C@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O	ZINC000586995396	EG	Annotated	Anodyne	
CC(=O)N[C@@H]1Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O	ZINC000586995397	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc(=N)[nH]cc2[nH]1	ZINC000586995410	EG	Annotated	Anodyne	
Oc1nccc2nc(CCNc3ccc(Br)cc3)[nH]c12	ZINC000586995669	EG	Annotated	Anodyne	
Cc1ccc2c3c(cc(CC(=O)N(C)C)nc13)-c1ccccc1C2=O	ZINC000586995839	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cnncc2[nH]1	ZINC000586995866	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2ncc[nH]c-2n1	ZINC000586995875	EG	Annotated	Anodyne	
CON(C)C(=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000586996083	EG	Annotated	Anodyne	
N[C@H](Cc1nc2ccc(O)cc2[nH]1)c1ccc(Br)cc1	ZINC000586996183	EG	Annotated	Anodyne	
N[C@H](Cc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)cc1	ZINC000586996264	EG	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000586996265	EG	Annotated	Anodyne	
COc1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12	ZINC000586996310	EG	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)cnc2[nH]1	ZINC000586996339	EG	Annotated	Anodyne	
CC(=O)NCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O	ZINC000586996514	EG	Annotated	Anodyne	
O=C(O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1	ZINC000586996521	EG	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2c(Cl)ccnc2[nH]1	ZINC000586996527	EG	Annotated	Anodyne	
N#Cc1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1	ZINC000586996610	EG	Annotated	Mild	
COc1nccc2nc(CCNc3ccc(Br)cc3)[nH]c12	ZINC000586996661	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cccc(O)c2[nH]1)c1ccc(Br)cc1	ZINC000586996685	EG	Annotated	Anodyne	
Cc1ccc2c3c(cc(CN(C)CCO)nc13)-c1ccccc1C2=O	ZINC000586996688	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc[nH]c(=N)c2[nH]1	ZINC000586996700	EG	Annotated	Anodyne	
N#Cc1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12	ZINC000586996714	EG	Annotated	Mild	
COc1cncc2nc(CCNc3ccc(Br)cc3)[nH]c12	ZINC000586996718	EG	Annotated	Anodyne	
Nc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1N	ZINC000586996756	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12	ZINC000586996779	EG	Annotated	Bother	
O[C@H](c1ccc(Br)cc1)c1nc2ccnc(Cl)c2[nH]1	ZINC000586996799	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cc(F)cnc2[nH]1)c1ccc(Br)cc1	ZINC000586997077	EG	Annotated	Anodyne	
N#Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1	ZINC000586997143	EG	Annotated	Mild	
Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2n1	ZINC000586997145	EG	Annotated	Anodyne	
N#Cc1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12	ZINC000586997197	EG	Annotated	Mild	
Cc1cnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2c1	ZINC000586997297	EG	Annotated	Anodyne	
Brc1cc2c(cc1/C=C/c1nc3cncnc3[nH]1)OCO2	ZINC000586997347	EG	Annotated	Anodyne	
Brc1cc2c(cc1/C=C\c1nc3cncnc3[nH]1)OCO2	ZINC000586997351	EG	Annotated	Anodyne	
CC(C)(Oc1ccc(Br)cc1)c1nc2c(N)ncnc2[nH]1	ZINC000586997552	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c(C)n1	ZINC000586997726	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12	ZINC000586997735	EG	Annotated	Anodyne	
Cc1cncc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12	ZINC000586997776	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc12	ZINC000586998137	EG	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)ncc2[nH]1	ZINC000586998143	EG	Annotated	Anodyne	
O[C@H](c1ccc(Br)cc1)c1nc2ccc(Cl)nc2[nH]1	ZINC000586998168	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1	ZINC000586998180	EG	Annotated	Bother	
O[C@H](c1ccc(Br)cc1)c1nc2cncc(Cl)c2[nH]1	ZINC000586998252	EG	Annotated	Anodyne	
Brc1cc2c(cc1/C=C/c1nc3cnncc3[nH]1)OCO2	ZINC000586998870	EG	Annotated	Anodyne	
Brc1cc2c(cc1/C=C\c1nc3cnncc3[nH]1)OCO2	ZINC000586998871	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(Cl)cnc3[nH]2)n1	ZINC000586999882	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3c(Cl)ccnc3[nH]2)n1	ZINC000586999895	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(OC)c(C)cc3[nH]2)n1	ZINC000586999961	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccc(Cl)nc3[nH]2)n1	ZINC000587000291	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cccc(OC)c3[nH]2)n1	ZINC000587000306	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccc(C(C)=O)cc3[nH]2)n1	ZINC000587000331	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccnc(Cl)c3[nH]2)n1	ZINC000587000356	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(F)cc(F)c3[nH]2)n1	ZINC000587000448	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(F)c(F)cc3[nH]2)n1	ZINC000587000754	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccc(F)c(F)c3[nH]2)n1	ZINC000587000768	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3ccc(C#N)cc3[nH]2)n1	ZINC000587000844	EG	Annotated	Mild	
CCn1cc(Br)c(Cc2nc3cncc(Cl)c3[nH]2)n1	ZINC000587000861	EG	Annotated	Anodyne	
Brc1ccc2c(cnn2CCc2nc3cccnc3[nH]2)c1	ZINC000587001068	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc4cn[nH]c4cc3[nH]2)n1	ZINC000587001084	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cccc(C#N)c3[nH]2)n1	ZINC000587001397	EG	Annotated	Mild	
CCn1cc(Br)c(Cc2nc3c(C)nc(C)cc3[nH]2)n1	ZINC000587001427	EG	Annotated	Anodyne	
COc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1	ZINC000587001921	EG	Annotated	Anodyne	
CCn1cc(Br)c(Cc2nc3cc(Cl)ncc3[nH]2)n1	ZINC000587001995	EG	Annotated	Anodyne	
Clc1ncnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12	ZINC000587002399	EG	Annotated	Anodyne	
COc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1	ZINC000587002442	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3ccnc4[nH]cc(Br)c34)nc-2n1	ZINC000587002466	EG	Annotated	Anodyne	
Brc1ccc2c(cnn2CCc2nc3cnccc3[nH]2)c1	ZINC000587002873	EG	Annotated	Anodyne	
Cc1cc2c(Br)ccc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2o1	ZINC000587003178	EG	Annotated	Anodyne	
OCc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1	ZINC000587003386	EG	Annotated	Anodyne	
Clc1ncc2nc(-c3ccnc4[nH]cc(Br)c34)nc-2[nH]1	ZINC000587003557	EG	Annotated	Anodyne	
COc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12	ZINC000587003730	EG	Annotated	Anodyne	
Nc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1N	ZINC000587004328	EG	Annotated	Anodyne	
Fc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1	ZINC000587004600	EG	Annotated	Anodyne	
Cc1cc2c(Br)ccc(-c3nc4c(N)ncnc4[nH]3)c2o1	ZINC000587004660	EG	Annotated	Anodyne	
COc1nccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12	ZINC000587004839	EG	Annotated	Anodyne	
Nc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1N	ZINC000587004890	EG	Annotated	Anodyne	
COc1cncc2nc(-c3nc(Br)ccc3Cl)[nH]c12	ZINC000587005002	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3nc(Br)ccc3Cl)[nH]c12	ZINC000587005042	EG	Annotated	Anodyne	
COc1nccc2nc(-c3nc(Br)ccc3Cl)[nH]c12	ZINC000587005119	EG	Annotated	Anodyne	
Nc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1N	ZINC000587005161	EG	Annotated	Anodyne	
COc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12	ZINC000587005184	EG	Annotated	Anodyne	
Cc1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2c(C)n1	ZINC000587005201	EG	Annotated	Anodyne	
Oc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1	ZINC000587005223	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3ccnc(Br)c3Cl)nc-2n1	ZINC000587005224	EG	Annotated	Anodyne	
Clc1ncc2nc(-c3ccnc(Br)c3Cl)nc-2[nH]1	ZINC000587005236	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3nc(Br)ccc3Cl)nc-2n1	ZINC000587005314	EG	Annotated	Anodyne	
Clc1c(-c2nc3c(Cl)ncnc3[nH]2)ccnc1Br	ZINC000587005369	EG	Annotated	Anodyne	
Clc1cnc2[nH]c(-c3nc(Cl)cnc3Br)nc2c1	ZINC000587005401	EG	Annotated	Anodyne	
Clc1ccc(Br)nc1-c1nc2c(Cl)ncnc2[nH]1	ZINC000587005444	EG	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3c(Cl)ccnc3[nH]2)n1	ZINC000587005476	EG	Annotated	Anodyne	
COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1	ZINC000587005496	EG	Annotated	Anodyne	
Clc1ncc2nc(-c3nc(Br)ccc3Cl)nc-2[nH]1	ZINC000587005521	EG	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3ccc(Cl)nc3[nH]2)n1	ZINC000587005582	EG	Annotated	Anodyne	
COc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2n1	ZINC000587005630	EG	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3cncc(Cl)c3[nH]2)n1	ZINC000587005648	EG	Annotated	Anodyne	
COc1nccc2nc(-c3ccnc(Br)c3Cl)[nH]c12	ZINC000587005653	EG	Annotated	Anodyne	
Clc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cn1	ZINC000587005752	EG	Annotated	Anodyne	
N#Cc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1	ZINC000587005799	EG	Annotated	Mild	
N#Cc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12	ZINC000587005804	EG	Annotated	Mild	
Oc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12	ZINC000587005805	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3ccnc(Br)c3Cl)[nH]c12	ZINC000587005813	EG	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3cc4cn[nH]c4cc3[nH]2)n1	ZINC000587005870	EG	Annotated	Anodyne	
Clc1cnc(Br)c(-c2nc3ccnc(Cl)c3[nH]2)n1	ZINC000587005908	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12	ZINC000587005935	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3cnn4cccc(Br)c34)nc12	ZINC000587006179	EG	Annotated	Anodyne	
COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1	ZINC000587006225	EG	Annotated	Anodyne	
Clc1cncc2nc(-c3cnn4cc(Br)cnc34)[nH]c12	ZINC000587006234	EG	Annotated	Anodyne	
Clc1cnc2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1	ZINC000587006250	EG	Annotated	Anodyne	
COc1nccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12	ZINC000587006253	EG	Annotated	Anodyne	
Clc1ncc2nc(-c3cnn4cccc(Br)c34)nc-2[nH]1	ZINC000587006266	EG	Annotated	Anodyne	
COc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2n1	ZINC000587006326	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3cnn4cccc(Br)c34)nc12	ZINC000587006354	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc12	ZINC000587006412	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3cnn4cccc(Br)c34)nc-2n1	ZINC000587006440	EG	Annotated	Anodyne	
COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1	ZINC000587006496	EG	Annotated	Anodyne	
N=c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c[nH]1	ZINC000587006507	EG	Annotated	Anodyne	
Clc1ncc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1	ZINC000587006531	EG	Annotated	Anodyne	
COc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cn1	ZINC000587006552	EG	Annotated	Anodyne	
Clc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cn1	ZINC000587006703	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1	ZINC000587006706	EG	Annotated	Anodyne	
Cc1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587006714	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12	ZINC000587006730	EG	Annotated	Anodyne	
COc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1	ZINC000587006742	EG	Annotated	Anodyne	
Clc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2n1	ZINC000587006752	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2n1	ZINC000587006782	EG	Annotated	Anodyne	
O=C1CCc2cc3[nH]c(-c4ccc(Br)o4)nc3cc2N1	ZINC000587006872	EG	Annotated	Anodyne	
Fc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1	ZINC000587006876	EG	Annotated	Anodyne	
COc1nccc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587006879	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1	ZINC000587006889	EG	Annotated	Anodyne	
COc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1	ZINC000587006921	EG	Annotated	Anodyne	
Clc1ccnc2[nH]c(-c3cnn4cc(Br)cnc34)nc12	ZINC000587006946	EG	Annotated	Anodyne	
Nc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1N	ZINC000587006953	EG	Annotated	Anodyne	
COc1nccc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587007016	EG	Annotated	Anodyne	
Clc1ncnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc12	ZINC000587007173	EG	Annotated	Anodyne	
Oc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587007174	EG	Annotated	Anodyne	
Cc1nccc2nc(-c3cccn4c(Br)cnc34)[nH]c12	ZINC000587007218	EG	Annotated	Anodyne	
Oc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587007276	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2[nH]c(-c3ccc(Br)o3)nc2n1	ZINC000587007314	EG	Annotated	Anodyne	
COc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2n1	ZINC000587007367	EG	Annotated	Anodyne	
ClC[C@@H](Cl)c1nc2cc(I)cnc2[nH]1	ZINC000587007400	EG	Annotated	Reactive	
ClC[C@H](Cl)c1nc2cc(I)cnc2[nH]1	ZINC000587007403	EG	Annotated	Reactive	
Cc1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587007480	EG	Annotated	Anodyne	
Clc1ncnc2[nH]c(-c3cnn4cccc(Br)c34)nc12	ZINC000587007486	EG	Annotated	Anodyne	
OCc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1	ZINC000587007491	EG	Annotated	Anodyne	
Oc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1	ZINC000587007499	EG	Annotated	Anodyne	
COc1cncc2nc(-c3cnn4cccc(Br)c34)[nH]c12	ZINC000587007504	EG	Annotated	Anodyne	
Fc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1	ZINC000587007645	EG	Annotated	Anodyne	
Brc1c[nH]c2nc(-c3ccc(Br)o3)nc-2n1	ZINC000587007657	EG	Annotated	Anodyne	
Cc1ccnc2nc(-c3cccn4c(Br)cnc34)[nH]c12	ZINC000587007704	EG	Annotated	Anodyne	
Fc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1	ZINC000587007725	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2n1	ZINC000587007748	EG	Annotated	Anodyne	
OCc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1	ZINC000587007764	EG	Annotated	Anodyne	
Clc1ncc2nc(-c3ccc4[nH]nc(Br)c4c3)nc-2[nH]1	ZINC000587007767	EG	Annotated	Anodyne	
Clc1ncnc2nc(-c3cccn4c(Br)cnc34)[nH]c12	ZINC000587007768	EG	Annotated	Anodyne	
C[C@H](Br)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587007797	EG	Annotated	Reactive	
Cc1cc(F)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1	ZINC000587007805	EG	Annotated	Anodyne	
COc1cncc2nc(-c3ccnc(Br)c3Cl)[nH]c12	ZINC000587007883	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1	ZINC000587007957	EG	Annotated	Reactive	
Cc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1	ZINC000587008031	EG	Annotated	Anodyne	
Fc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12	ZINC000587008137	EG	Annotated	Anodyne	
COc1cncc2[nH]c(-c3cccn4c(Br)cnc34)nc12	ZINC000587008231	EG	Annotated	Anodyne	
Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1F	ZINC000587008245	EG	Annotated	Anodyne	
Cc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1	ZINC000587008254	EG	Annotated	Anodyne	
Oc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1	ZINC000587008263	EG	Annotated	Anodyne	
Cc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12	ZINC000587008273	EG	Annotated	Anodyne	
OCc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1	ZINC000587008497	EG	Annotated	Anodyne	
COc1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12	ZINC000587008515	EG	Annotated	Anodyne	
COc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1	ZINC000587008556	EG	Annotated	Anodyne	
Clc1c[nH]c2nc(-c3cccn4c(Br)cnc34)nc-2n1	ZINC000587008570	EG	Annotated	Anodyne	
COc1cncc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12	ZINC000587008598	EG	Annotated	Anodyne	
Fc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1	ZINC000587008631	EG	Annotated	Anodyne	
Cc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c(C)n1	ZINC000587008805	EG	Annotated	Anodyne	
C[C@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1	ZINC000587008818	EG	Annotated	Reactive	
O=S(=O)(c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1)C(F)(F)F	ZINC000587008929	EG	Annotated	Reactive	
O=S(=O)(c1ccc2nc([C@H](Cl)CCl)[nH]c2c1)C(F)(F)F	ZINC000587008930	EG	Annotated	Reactive	
Cc1cc(Br)cc2nc(C(C)(C)NC(=O)CCl)[nH]c12	ZINC000587008946	EG	Annotated	Reactive	
Cc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br	ZINC000587009126	EG	Annotated	Reactive	
Oc1nc(NCc2ccccc2)c2nc([C@H](Cl)CCl)nc-2[nH]1	ZINC000587009236	EG	Annotated	Reactive	
Oc1nc(NCc2ccccc2)c2nc([C@@H](Cl)CCl)nc-2[nH]1	ZINC000587009241	EG	Annotated	Reactive	
C[C@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	ZINC000587009304	EG	Annotated	Reactive	
Cc1c(Br)ccc2nc(C(C)(C)NC(=O)CCl)[nH]c12	ZINC000587009319	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587009358	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587009416	EG	Annotated	Reactive	
CC(C)Oc1cc2nc([C@H](N)CCl)[nH]c2cc1Br	ZINC000587009468	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587009533	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587009541	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587009576	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587009764	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587009791	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587009816	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587009839	EG	Annotated	Reactive	
COC(=O)c1ccc(Oc2ccc3nc([C@H](N)CCl)[nH]c3c2)cc1	ZINC000587009893	EG	Annotated	Reactive	
CC(C)(NC(=O)CCl)c1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587010031	EG	Annotated	Reactive	
Cc1nc(Br)sc1-c1nc2cnc(Cl)[nH]c-2n1	ZINC000587010611	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2ccc(CCO)cc2[nH]1	ZINC000587010630	EG	Annotated	Anodyne	
CCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br	ZINC000587010686	EG	Annotated	Reactive	
Cc1nc(C)c(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)s1	ZINC000587010689	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2c(Cl)ncnc2[nH]1	ZINC000587010812	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2nc(Cl)c[nH]c-2n1	ZINC000587010858	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587010900	EG	Annotated	Bother	
COc1nccc2nc(-c3sc(Br)nc3C)[nH]c12	ZINC000587010951	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1OC	ZINC000587011048	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(Cc3sc(C)nc3C)[nH]c2c1	ZINC000587011088	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587011292	EG	Annotated	Anodyne	
COc1cc2nc(-c3sc(Br)nc3C)[nH]c2cn1	ZINC000587011399	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12	ZINC000587011685	EG	Annotated	Anodyne	
Cc1nc(C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587012071	EG	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4c(O)nc(O)nc4[nH]3)c(C)s2)cc1	ZINC000587012112	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(Cc3sc(C)nc3C)nc2cc1OC	ZINC000587012174	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587012273	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3nc(Br)sc3C3CC3)nc12	ZINC000587012309	EG	Annotated	Anodyne	
Cc1nc(Br)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587012415	EG	Annotated	Bother	
COc1cncc2nc(-c3sc(Br)nc3C)[nH]c12	ZINC000587012493	EG	Annotated	Anodyne	
Cc1nc(C2CC2)sc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587012593	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587013042	EG	Annotated	Anodyne	
Cc1nc(C)c(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1	ZINC000587013101	EG	Annotated	Bother	
Cc1nc(C)c(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)s1	ZINC000587013129	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587013136	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2ccnc(Br)c2[nH]1	ZINC000587013148	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587013195	EG	Annotated	Anodyne	
N=c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c[nH]1	ZINC000587013294	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cncc(Br)c2[nH]1	ZINC000587013384	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2ccc(C(=O)OCC)cc2[nH]1	ZINC000587013476	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12	ZINC000587013516	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2ccc(CC(=O)OCC)cc2[nH]1	ZINC000587013549	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2ccc(Br)nc2[nH]1	ZINC000587013562	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc(Br)cnc2[nH]1	ZINC000587013588	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc(Br)ncc2[nH]1	ZINC000587013591	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	ZINC000587013671	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587013717	EG	Annotated	Anodyne	
CCCc1sc(=N)[nH]c1-c1nc2c(Br)ccnc2[nH]1	ZINC000587013868	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)cnc3[nH]2)cs1	ZINC000587013871	EG	Annotated	Anodyne	
Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587013987	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(O)cc3[nH]2)cs1	ZINC000587014191	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cccnc3[nH]2)cs1	ZINC000587014212	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12	ZINC000587014236	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2n1	ZINC000587014300	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c12	ZINC000587014322	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cnccc3[nH]2)cs1	ZINC000587014451	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc2c1	ZINC000587014476	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12	ZINC000587014532	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(O)c3[nH]2)cs1	ZINC000587014554	EG	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)ncc3[nH]2)s1	ZINC000587014590	EG	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(=O)OC)ncc3[nH]2)s1	ZINC000587014592	EG	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3c(C(=O)OC)ccnc3[nH]2)s1	ZINC000587014784	EG	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3c(C(=O)OC)ccnc3[nH]2)s1	ZINC000587014785	EG	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)s1	ZINC000587014791	EG	Annotated	Bother	
CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)s1	ZINC000587014792	EG	Annotated	Bother	
CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)s1	ZINC000587014838	EG	Annotated	Anodyne	
CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)s1	ZINC000587014839	EG	Annotated	Anodyne	
CCO[C@H](C)c1nc(C)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)s1	ZINC000587014879	EG	Annotated	Bother	
CCO[C@@H](C)c1nc(C)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)s1	ZINC000587014880	EG	Annotated	Bother	
CCc1ccc(-c2nc(-c3nc4c(O)nc(O)nc4[nH]3)cs2)cc1	ZINC000587015512	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc12	ZINC000587015698	EG	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cs2)o1	ZINC000587015823	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc2N1	ZINC000587016079	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc2N1	ZINC000587016080	EG	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4c(O)nc(S)nc4[nH]3)cs2)o1	ZINC000587016117	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1	ZINC000587016123	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1	ZINC000587016124	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1	ZINC000587016130	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1	ZINC000587016131	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1	ZINC000587016156	EG	Annotated	Anodyne	
c1sc([C@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587016267	EG	Annotated	Anodyne	
c1sc([C@@H]2CCCO2)nc1-c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587016269	EG	Annotated	Anodyne	
Cc1ccc(-c2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)o1	ZINC000587016469	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)nc-2[nH]1	ZINC000587016493	EG	Annotated	Anodyne	
Oc1nc2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc2[nH]1	ZINC000587016494	EG	Annotated	Anodyne	
Oc1nc2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc2[nH]1	ZINC000587016496	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1	ZINC000587016525	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1	ZINC000587016526	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1	ZINC000587016527	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1	ZINC000587016528	EG	Annotated	Anodyne	
Oc1nc2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc2[nH]1	ZINC000587016783	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12	ZINC000587016786	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12	ZINC000587016789	EG	Annotated	Mild	
Oc1nccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12	ZINC000587016819	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12	ZINC000587016824	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12	ZINC000587016827	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2cn1	ZINC000587016828	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc(-c4ccc(C)o4)n3)[nH]c2n1	ZINC000587016874	EG	Annotated	Anodyne	
N=c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c[nH]1	ZINC000587016895	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(-c3csc([C@H]4CCCO4)n3)nc-2[nH]1	ZINC000587016908	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(-c3csc([C@@H]4CCCO4)n3)nc-2[nH]1	ZINC000587016912	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(O)n3)[nH]c21	ZINC000587016997	EG	Annotated	Clean	
Sc1nc(S)c2nc(Cc3csc(-c4ccco4)n3)[nH]c2n1	ZINC000587017026	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1F	ZINC000587017238	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1F	ZINC000587017240	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(-c3csc(O)n3)[nH]c12	ZINC000587017258	EG	Annotated	Bother	
COC(=O)c1ccnc2[nH]c(Cc3csc(-c4ccco4)n3)nc12	ZINC000587017296	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cn1	ZINC000587017312	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12	ZINC000587017377	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc12	ZINC000587017484	EG	Annotated	Anodyne	
Oc1nc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cs1	ZINC000587017505	EG	Annotated	Anodyne	
Nc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1N	ZINC000587017662	EG	Annotated	Anodyne	
c1cc(N=c2[nH]c(-c3nc4ncc[nH]c-4n3)cs2)c2cccnc2c1	ZINC000587017707	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12	ZINC000587017801	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12	ZINC000587017802	EG	Annotated	Anodyne	
N=c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c[nH]1	ZINC000587017821	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12	ZINC000587017836	EG	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1	ZINC000587017846	EG	Annotated	Bother	
OCCc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1	ZINC000587017853	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12	ZINC000587018033	EG	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3csc(O)n3)[nH]c12	ZINC000587018040	EG	Annotated	Bother	
Oc1nc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cs1	ZINC000587018108	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12	ZINC000587018199	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2n1	ZINC000587018238	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(Cc3csc(-c4ccco4)n3)[nH]c12	ZINC000587018263	EG	Annotated	Bother	
c1cc(N=c2[nH]c(-c3nc4cnncc4[nH]3)cs2)c2cccnc2c1	ZINC000587018354	EG	Annotated	Anodyne	
Oc1nc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cs1	ZINC000587018362	EG	Annotated	Anodyne	
c1cc(N=c2[nH]c(-c3nc4cncnc4[nH]3)cs2)c2cccnc2c1	ZINC000587018374	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)cnc3[nH]2)cs1	ZINC000587019423	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cnccc3[nH]2)cs1	ZINC000587020031	EG	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4c(O)ncnc4[nH]3)c2)cs1	ZINC000587020199	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccnc3[nH]2)cs1	ZINC000587020203	EG	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4cnnc(O)c4[nH]3)c2)cs1	ZINC000587020273	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2n1	ZINC000587020408	EG	Annotated	Anodyne	
N#Cc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)s1	ZINC000587020460	EG	Annotated	Mild	
COC(=O)c1cc2nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c2cn1	ZINC000587020466	EG	Annotated	Anodyne	
N=c1[nH]c(-c2cccc(-c3nc4nc(Cl)c[nH]c-4n3)c2)cs1	ZINC000587020502	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccnc(O)c3[nH]2)cs1	ZINC000587020536	EG	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)cs1	ZINC000587020596	EG	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3c(S)nc(S)nc3[nH]2)cs1	ZINC000587020743	EG	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cs1	ZINC000587020744	EG	Annotated	Bother	
Cn1cc(-c2ncc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)s2)cn1	ZINC000587020747	EG	Annotated	Mild	
N=c1[nH]c(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cs1	ZINC000587020765	EG	Annotated	Anodyne	
Cc1nc(COc2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)cs1	ZINC000587020788	EG	Annotated	Anodyne	
C[C@@H](O)c1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1	ZINC000587020886	EG	Annotated	Anodyne	
C[C@H](O)c1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1	ZINC000587020887	EG	Annotated	Anodyne	
N=c1[nH]c(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cs1	ZINC000587021014	EG	Annotated	Anodyne	
N=c1[nH]c(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cs1	ZINC000587021017	EG	Annotated	Bother	
Cc1c(Br)cnc2[nH]c(-c3cnc([C@H](C)O)s3)nc12	ZINC000587021071	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3cnc([C@@H](C)O)s3)nc12	ZINC000587021074	EG	Annotated	Anodyne	
N=c1[nH]c(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)cs1	ZINC000587021080	EG	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cnc([C@H](C)O)s3)nc2cc1Br	ZINC000587021240	EG	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cnc([C@@H](C)O)s3)nc2cc1Br	ZINC000587021242	EG	Annotated	Anodyne	
N#Cc1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)s1	ZINC000587021439	EG	Annotated	Mild	
C[C@H](O)c1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)s1	ZINC000587021671	EG	Annotated	Mild	
C[C@@H](O)c1ncc(-c2nc3cc(C#N)cc(Br)c3[nH]2)s1	ZINC000587021673	EG	Annotated	Mild	
N=c1[nH]c(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cs1	ZINC000587021709	EG	Annotated	Bother	
N=c1[nH]c2nc(-c3cnc(Cc4ccccc4)s3)nc-2c(Cl)[nH]1	ZINC000587021715	EG	Annotated	Anodyne	
COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1C	ZINC000587021752	EG	Annotated	Anodyne	
Cc1nc(-c2c[nH]cc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cs1	ZINC000587021801	EG	Annotated	Bother	
Cc1cc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2cc1[N+](=O)[O-]	ZINC000587021828	EG	Annotated	Bother	
N#Cc1cc(Br)c2[nH]c(-c3cnc(C#N)s3)nc2c1	ZINC000587021870	EG	Annotated	Mild	
COC(=O)c1ccnc2[nH]c(-c3c[nH]cc3-c3csc(C)n3)nc12	ZINC000587021977	EG	Annotated	Anodyne	
C[C@@H](O)c1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1	ZINC000587022004	EG	Annotated	Anodyne	
C[C@H](O)c1ncc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1	ZINC000587022006	EG	Annotated	Anodyne	
N=c1[nH]c(-c2cccc(-c3nc4c(Cl)ncnc4[nH]3)c2)cs1	ZINC000587022031	EG	Annotated	Anodyne	
COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1OC	ZINC000587022042	EG	Annotated	Anodyne	
COc1cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2cc1F	ZINC000587022063	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc12	ZINC000587022087	EG	Annotated	Anodyne	
Cn1cc(-c2ncc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)s2)cn1	ZINC000587022097	EG	Annotated	Bother	
N#Cc1ncc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)s1	ZINC000587022144	EG	Annotated	Mild	
N=c1[nH]c(-c2cccc(-c3nc4cnc(Cl)[nH]c-4n3)c2)cs1	ZINC000587022148	EG	Annotated	Anodyne	
C[C@@H](O)c1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)s1	ZINC000587022224	EG	Annotated	Anodyne	
C[C@H](O)c1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)s1	ZINC000587022231	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1	ZINC000587022240	EG	Annotated	Anodyne	
N#Cc1ncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)s1	ZINC000587022334	EG	Annotated	Mild	
Oc1nc(S)nc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12	ZINC000587022396	EG	Annotated	Anodyne	
Cn1cc(-c2ncc(-c3nc4c(F)cnc(Cl)c4[nH]3)s2)cn1	ZINC000587022409	EG	Annotated	Anodyne	
N=c1[nH]c(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cs1	ZINC000587022504	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cnc([C@H](C)O)s3)nc2c1	ZINC000587022695	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cnc([C@@H](C)O)s3)nc2c1	ZINC000587022696	EG	Annotated	Anodyne	
C[C@H](O)c1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)s1	ZINC000587022768	EG	Annotated	Anodyne	
C[C@@H](O)c1ncc(-c2nc3c(F)cnc(Br)c3[nH]2)s1	ZINC000587022769	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(O)nccc3[nH]2)s1	ZINC000587022896	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4cnc(Cl)s4)[nH]c3c2)NNC(=O)C1	ZINC000587023010	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1[N+](=O)[O-]	ZINC000587023081	EG	Annotated	Bother	
COc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2n1	ZINC000587023087	EG	Annotated	Anodyne	
N=c1nc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c(Cl)[nH]1	ZINC000587023297	EG	Annotated	Anodyne	
COc1cncc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12	ZINC000587023312	EG	Annotated	Anodyne	
Clc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)s1	ZINC000587023332	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3nccc(N)c3[nH]2)s1	ZINC000587023342	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(N)c(N)cc3[nH]2)s1	ZINC000587023411	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3ccc(-c4nccs4)s3)nc12	ZINC000587023412	EG	Annotated	Anodyne	
COc1nccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12	ZINC000587023442	EG	Annotated	Anodyne	
N=c1nc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c(Cl)[nH]1	ZINC000587023997	EG	Annotated	Anodyne	
COc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cn1	ZINC000587024014	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12	ZINC000587024124	EG	Annotated	Anodyne	
Cc1ccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c2c1	ZINC000587024255	EG	Annotated	Anodyne	
Cc1cccc2nc(Cc3n[nH]c(=NC(=O)OC(C)(C)C)s3)[nH]c12	ZINC000587024274	EG	Annotated	Anodyne	
FC(F)(F)c1cc2nc(CSc3nnc(S)s3)[nH]c2cn1	ZINC000587024485	EG	Annotated	Anodyne	
Cc1cc2[nH]c(CSc3nnc(S)s3)nc2cc1[N+](=O)[O-]	ZINC000587024958	EG	Annotated	Bother	
N[C@H](c1ccsc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587025004	EG	Annotated	Anodyne	
N[C@@H](c1ccsc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587025005	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1F	ZINC000587025022	EG	Annotated	Bother	
O=C1COc2cc3[nH]c(CSCc4ccsc4)nc3cc2N1	ZINC000587025039	EG	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c(CSc3nnc(S)s3)nc12	ZINC000587025350	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(CSCc3ccsc3)[nH]c2n1	ZINC000587025359	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1	ZINC000587025372	EG	Annotated	Anodyne	
COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1F	ZINC000587025449	EG	Annotated	Anodyne	
N[C@H](c1ccsc1)c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587025650	EG	Annotated	Anodyne	
N[C@@H](c1ccsc1)c1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587025655	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c([C@H](N)c3ccsc3)nc2c1	ZINC000587025809	EG	Annotated	Mild	
N#Cc1cc(Br)c2[nH]c([C@@H](N)c3ccsc3)nc2c1	ZINC000587025811	EG	Annotated	Mild	
N[C@H](c1ccsc1)c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587025908	EG	Annotated	Anodyne	
N[C@@H](c1ccsc1)c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587025910	EG	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(N)=O)cc2[nH]1	ZINC000587026080	EG	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(CSc3nnc(S)s3)nc2c1	ZINC000587026193	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccsc3)[nH]c12	ZINC000587026234	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccsc3)[nH]c12	ZINC000587026236	EG	Annotated	Anodyne	
Fc1cc2nc(CSc3nnc(S)s3)[nH]c2c(F)c1F	ZINC000587026315	EG	Annotated	Anodyne	
N#Cc1nc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2nc1C#N	ZINC000587026383	EG	Annotated	Mild	
COc1cc2nc(CSc3nnc(S)s3)[nH]c2cc1OC	ZINC000587026444	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CSc3nnc(S)s3)nc12	ZINC000587026513	EG	Annotated	Anodyne	
c1cc(CSCc2nc3ccc(-n4cnnn4)cc3[nH]2)cs1	ZINC000587026524	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(CSc3nnc(S)s3)nc2c1	ZINC000587026587	EG	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2cc(N)c(N)cc2[nH]1	ZINC000587027013	EG	Annotated	Anodyne	
Cc1oc(-c2ccsc2)nc1Cc1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587027030	EG	Annotated	Bother	
Cc1oc(-c2ccsc2)nc1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587027122	EG	Annotated	Bother	
Cc1ncsc1CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587027363	EG	Annotated	Anodyne	
Cc1ncsc1CCc1nc2c(F)cnc(Br)c2[nH]1	ZINC000587027414	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3ncsc3-c3ccccc3)nc-2c(Cl)[nH]1	ZINC000587027727	EG	Annotated	Anodyne	
O=C(NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cscn1	ZINC000587027767	EG	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587027854	EG	Annotated	Bother	
O=C(NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cscn1	ZINC000587027872	EG	Annotated	Anodyne	
O=C(NCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1cscn1	ZINC000587027924	EG	Annotated	Anodyne	
Cc1ncsc1CCc1nc2ccc(OCCN(C)C)cc2[nH]1	ZINC000587028035	EG	Annotated	Anodyne	
c1ccc(-c2scnc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1	ZINC000587028041	EG	Annotated	Anodyne	
Cc1ncsc1-c1c[nH]cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587028078	EG	Annotated	Bother	
Cc1ncsc1-c1c[nH]cc1-c1nc2c(S)nc(S)nc2[nH]1	ZINC000587028083	EG	Annotated	Anodyne	
Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br	ZINC000587028202	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3ncsc3-c3ccccc3)nc12	ZINC000587028327	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2cn1	ZINC000587028557	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(CCc3scnc3C)[nH]c2c1	ZINC000587028588	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3c[nH]cc3-c3scnc3C)[nH]c2n1	ZINC000587028611	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc([C@H](N)Cc3cscn3)[nH]c12	ZINC000587028634	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c([C@H](N)Cc3cscn3)nc2c1	ZINC000587028637	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc([C@H](N)Cc3cscn3)[nH]c12	ZINC000587028808	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3c[nH]cc3-c3scnc3C)nc12	ZINC000587028818	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2n1	ZINC000587028846	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587028926	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587028936	EG	Annotated	Bother	
Cc1c(-c2nc3ccnc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587028991	EG	Annotated	Anodyne	
Cc1c(-c2nc3cc(O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587028999	EG	Annotated	Anodyne	
Cc1cnc2nc(-c3sc4c(c3C)C(=O)N3CCC=C3N4)[nH]c2c1	ZINC000587029044	EG	Annotated	Anodyne	
Cc1c(-c2nc3ncc(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029112	EG	Annotated	Anodyne	
Cc1c(-c2nc3c(C)cncc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029169	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587029251	EG	Annotated	Bother	
N[C@H](Cc1cscn1)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587029268	EG	Annotated	Anodyne	
N#Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1C(F)(F)F	ZINC000587029348	EG	Annotated	Mild	
N[C@H](Cc1cscn1)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587029370	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587029598	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587029637	EG	Annotated	Anodyne	
Cc1c(-c2nc3c(O)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587029645	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587029753	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587029814	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587029952	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587029967	EG	Annotated	Anodyne	
N[C@H](Cc1cscn1)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587030017	EG	Annotated	Anodyne	
Nc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1N	ZINC000587030078	EG	Annotated	Anodyne	
Cc1c(-c2nc3nccc(C)c3[nH]2)sc2c1C(=O)N1CCC=C1N2	ZINC000587030141	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1OC	ZINC000587031264	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1[N+](=O)[O-]	ZINC000587031351	EG	Annotated	Bother	
Oc1ccc2scc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2c1	ZINC000587031464	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2n1	ZINC000587031572	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1	ZINC000587031636	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(-c3csc4c3CCOC4)nc-2[nH]1	ZINC000587031651	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(-c4csc5ccc(O)cc45)nc3cc2N1	ZINC000587031677	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1	ZINC000587031685	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1OC	ZINC000587032230	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3csc4ccc(O)cc34)nc12	ZINC000587032342	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1	ZINC000587032524	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cn1	ZINC000587032628	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(-c4csc5c4CCOC5)[nH]c3cc2N1	ZINC000587032629	EG	Annotated	Anodyne	
C[C@@H]1CCc2sc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2C1	ZINC000587033612	EG	Annotated	Anodyne	
C[C@H]1CCc2sc(-c3nc4cc(S(N)(=O)=O)ccc4[nH]3)cc2C1	ZINC000587033613	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1	ZINC000587033751	EG	Annotated	Anodyne	
O=C(NCc1nc2cc(Cl)ncc2[nH]1)c1cc2c(s1)CCC2	ZINC000587033927	EG	Annotated	Anodyne	
O=C(NCc1nc2cncc(Cl)c2[nH]1)c1cc2c(s1)CCC2	ZINC000587033944	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc2N1	ZINC000587034051	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc2N1	ZINC000587034053	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587034061	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587034063	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587034066	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587034067	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587034158	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587034161	EG	Annotated	Anodyne	
C[C@@H]1CCc2sc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2C1	ZINC000587034184	EG	Annotated	Anodyne	
C[C@H]1CCc2sc(-c3nc4c(S(N)(=O)=O)cccc4[nH]3)cc2C1	ZINC000587034185	EG	Annotated	Anodyne	
COc1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12	ZINC000587034227	EG	Annotated	Anodyne	
Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1F	ZINC000587034232	EG	Annotated	Anodyne	
O=C(NCc1nc2cc(F)cc(F)c2[nH]1)c1cc2c(s1)CCC2	ZINC000587034361	EG	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1	ZINC000587034403	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1F	ZINC000587034408	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1F	ZINC000587034411	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12	ZINC000587034432	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12	ZINC000587034433	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1	ZINC000587034546	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1	ZINC000587034550	EG	Annotated	Anodyne	
Cc1c(F)ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12	ZINC000587034686	EG	Annotated	Anodyne	
C[C@H]1CCc2sc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2C1	ZINC000587034792	EG	Annotated	Anodyne	
C[C@@H]1CCc2sc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)cc2C1	ZINC000587034794	EG	Annotated	Anodyne	
O=C(NCc1nc2c(Cl)ccnc2[nH]1)c1cc2c(s1)CCC2	ZINC000587034827	EG	Annotated	Anodyne	
O=C(NCc1nc2cc(F)c(F)cc2[nH]1)c1cc2c(s1)CCC2	ZINC000587034868	EG	Annotated	Anodyne	
COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1C	ZINC000587035048	EG	Annotated	Anodyne	
O=C(NCc1nc2ccc(F)c(F)c2[nH]1)c1cc2c(s1)CCC2	ZINC000587035049	EG	Annotated	Anodyne	
c1cc2c(s1)[C@H](Cc1nc3cc4c(cc3[nH]1)OCCO4)OCC2	ZINC000587035250	EG	Annotated	Anodyne	
c1cc2c(s1)[C@@H](Cc1nc3cc4c(cc3[nH]1)OCCO4)OCC2	ZINC000587035251	EG	Annotated	Anodyne	
O=C(NCc1nc2cc(Cl)cnc2[nH]1)c1cc2c(s1)CCC2	ZINC000587035261	EG	Annotated	Anodyne	
O=C(NCc1nc2ccnc(Cl)c2[nH]1)c1cc2c(s1)CCC2	ZINC000587035269	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12	ZINC000587035371	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12	ZINC000587035374	EG	Annotated	Anodyne	
Oc1nc2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc2[nH]1	ZINC000587035405	EG	Annotated	Anodyne	
Oc1nc2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc2[nH]1	ZINC000587035409	EG	Annotated	Anodyne	
COc1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1	ZINC000587035479	EG	Annotated	Anodyne	
O=C(NCc1nc2ccc(Cl)nc2[nH]1)c1cc2c(s1)CCC2	ZINC000587035585	EG	Annotated	Anodyne	
COc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1F	ZINC000587035643	EG	Annotated	Anodyne	
Cc1cc2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c(C)n1	ZINC000587035671	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc12	ZINC000587035765	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587035800	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1	ZINC000587035802	EG	Annotated	Anodyne	
COc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1OC	ZINC000587036024	EG	Annotated	Anodyne	
COc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1OC	ZINC000587036026	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1	ZINC000587036407	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H]4SCCc5sccc54)nc3cc2N1	ZINC000587036525	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@@H]4SCCc5sccc54)nc3cc2N1	ZINC000587036526	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2n1	ZINC000587036748	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2n1	ZINC000587036749	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cn1	ZINC000587036759	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cn1	ZINC000587036760	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(C[C@H]3OCCc4ccsc43)nc-2[nH]1	ZINC000587037011	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(C[C@@H]3OCCc4ccsc43)nc-2[nH]1	ZINC000587037012	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc4c(s3)CCC4)nc12	ZINC000587037374	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@@H]3SCCc4sccc43)[nH]c2n1	ZINC000587037718	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@H]3SCCc4sccc43)[nH]c2n1	ZINC000587037724	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12	ZINC000587037765	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12	ZINC000587037770	EG	Annotated	Mild	
COC(=O)c1ccnc2[nH]c([C@@H]3SCCc4sccc43)nc12	ZINC000587037820	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H]3SCCc4sccc43)nc12	ZINC000587037821	EG	Annotated	Anodyne	
C=CCN1C(=O)S[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)C1=O	ZINC000587037982	EG	Annotated	Mild	
C=CCN1C(=O)S[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)C1=O	ZINC000587037983	EG	Annotated	Mild	
C=CCN1C(=O)S[C@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)C1=O	ZINC000587037987	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3cc(C)c(Cl)cc3[nH]2)C1=O	ZINC000587037993	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)C1=O	ZINC000587038042	EG	Annotated	Mild	
C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)C1=O	ZINC000587038043	EG	Annotated	Mild	
Cc1cnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c1	ZINC000587038313	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2n1	ZINC000587038381	EG	Annotated	Anodyne	
C=CCN1C(=O)S[C@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C1=O	ZINC000587038424	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C1=O	ZINC000587038428	EG	Annotated	Mild	
C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)C1=O	ZINC000587038469	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)cc(C)c3[nH]2)C1=O	ZINC000587038470	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3ccc(OC(C)C)cc3[nH]2)C1=O	ZINC000587038506	EG	Annotated	Mild	
C=CCN1C(=O)S[C@H](Cc2nc3ccc(OC(C)C)cc3[nH]2)C1=O	ZINC000587038507	EG	Annotated	Mild	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C#N)c2[nH]1	ZINC000587038649	EG	Annotated	Mild	
c1ccc(C2SCCS2)c(OCc2nc3cnncc3[nH]2)c1	ZINC000587038719	EG	Annotated	Anodyne	
Cc1nccc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12	ZINC000587038794	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C#N)cc2[nH]1	ZINC000587038986	EG	Annotated	Mild	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)cccc2[nH]1	ZINC000587039021	EG	Annotated	Anodyne	
Brc1nccc2nc(Cc3csc4nccn34)[nH]c12	ZINC000587039031	EG	Annotated	Anodyne	
C=CCN1C(=O)S[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)C1=O	ZINC000587039070	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)C1=O	ZINC000587039071	EG	Annotated	Mild	
Brc1cc2nc(Cc3csc4nccn34)[nH]c2cn1	ZINC000587039096	EG	Annotated	Anodyne	
C=CCc1cccc2nc(C[C@H]3SC(=O)N(CC=C)C3=O)[nH]c12	ZINC000587039199	EG	Annotated	Mild	
C=CCc1cccc2nc(C[C@@H]3SC(=O)N(CC=C)C3=O)[nH]c12	ZINC000587039339	EG	Annotated	Mild	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(CCO)cc2[nH]1	ZINC000587039461	EG	Annotated	Anodyne	
C=CCN1C(=O)S[C@H](Cc2nc3ccc(Cl)c(C)c3[nH]2)C1=O	ZINC000587039607	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3ccc(Cl)c(C)c3[nH]2)C1=O	ZINC000587039608	EG	Annotated	Mild	
Cc1ccnc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c12	ZINC000587039616	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	ZINC000587039748	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	ZINC000587039749	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	ZINC000587039750	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	ZINC000587039751	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C#N)cccc2[nH]1	ZINC000587039855	EG	Annotated	Mild	
c1cn2c(Cc3nc4cc5c(cc4[nH]3)OCCCO5)csc2n1	ZINC000587039927	EG	Annotated	Anodyne	
Cc1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2c(C)n1	ZINC000587039929	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(Cc3csc4nccn34)nc2c1	ZINC000587039940	EG	Annotated	Anodyne	
Cc1cncc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc12	ZINC000587039953	EG	Annotated	Anodyne	
Cc1nc2[nH]c(Cc3csc4nccn34)nc2cc1Br	ZINC000587039955	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587040240	EG	Annotated	Anodyne	
Oc1nncc2nc(COc3ccccc3C3SCCS3)[nH]c12	ZINC000587040349	EG	Annotated	Anodyne	
Brc1ccc2nc(Cc3csc4nccn34)[nH]c2n1	ZINC000587040402	EG	Annotated	Anodyne	
FC1(F)Oc2cc3nc(Cc4csc5nccn45)[nH]c3cc2O1	ZINC000587040449	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1	ZINC000587040450	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(Cc3csc4nccn34)[nH]c2cc1Cl	ZINC000587040465	EG	Annotated	Bother	
Brc1cnc2[nH]c(Cc3csc4nccn34)nc2c1	ZINC000587040468	EG	Annotated	Anodyne	
Brc1ccnc2[nH]c(Cc3csc4nccn34)nc12	ZINC000587040473	EG	Annotated	Anodyne	
Oc1c(Br)ccc2nc(Cc3csc4nccn34)[nH]c12	ZINC000587040489	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000587040683	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(Cc3csc4nccn34)nc12	ZINC000587040827	EG	Annotated	Anodyne	
Brc1cncc2nc(Cc3csc4nccn34)[nH]c12	ZINC000587040880	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040900	EG	Annotated	Bother	
O=[N+]([O-])c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040902	EG	Annotated	Bother	
O=[N+]([O-])c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040903	EG	Annotated	Bother	
O=[N+]([O-])c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	ZINC000587040905	EG	Annotated	Bother	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587041007	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1	ZINC000587041106	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1	ZINC000587041108	EG	Annotated	Anodyne	
Fc1cc2[nH]c(Cc3csc4nccn34)nc2cc1-n1cccn1	ZINC000587041118	EG	Annotated	Anodyne	
Fc1c(F)c(F)c2[nH]c(Cc3csc4nccn34)nc2c1F	ZINC000587041165	EG	Annotated	Anodyne	
O=C1CSC[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)N1	ZINC000587041172	EG	Annotated	Anodyne	
O=C1CSC[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)N1	ZINC000587041175	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587041243	EG	Annotated	Mild	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587041247	EG	Annotated	Mild	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000587041248	EG	Annotated	Bother	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000587041250	EG	Annotated	Bother	
O=S(=O)(O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1	ZINC000587041269	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1	ZINC000587041278	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587041396	EG	Annotated	Bother	
O=[N+]([O-])c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587041397	EG	Annotated	Bother	
O=[N+]([O-])c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587041399	EG	Annotated	Bother	
O=[N+]([O-])c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587041401	EG	Annotated	Bother	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(F)c(F)c2[nH]1	ZINC000587041402	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(F)c(F)c2[nH]1	ZINC000587041432	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587041490	EG	Annotated	Anodyne	
c1ccc(C[C@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1	ZINC000587041684	EG	Annotated	Anodyne	
c1ccc(C[C@@H]2N[C@@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1	ZINC000587041689	EG	Annotated	Anodyne	
c1ccc(C[C@@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1	ZINC000587041691	EG	Annotated	Anodyne	
c1ccc(C[C@H]2N[C@H](c3nc4cc5c(cc4[nH]3)OCO5)CS2)cc1	ZINC000587041693	EG	Annotated	Anodyne	
N#Cc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C#N	ZINC000587041745	EG	Annotated	Mild	
N#Cc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C#N	ZINC000587041746	EG	Annotated	Mild	
N#Cc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1C#N	ZINC000587041748	EG	Annotated	Mild	
N#Cc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1C#N	ZINC000587041751	EG	Annotated	Mild	
COc1cc(OC)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2c1	ZINC000587041879	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2c1	ZINC000587041881	EG	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)cnc2[nH]1	ZINC000587042168	EG	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)cnc2[nH]1	ZINC000587042170	EG	Annotated	Anodyne	
O=C1CSC[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)N1	ZINC000587042191	EG	Annotated	Anodyne	
O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)N1	ZINC000587042197	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12	ZINC000587042284	EG	Annotated	Anodyne	
OCc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042345	EG	Annotated	Anodyne	
OCc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042346	EG	Annotated	Anodyne	
OCc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042347	EG	Annotated	Anodyne	
OCc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042348	EG	Annotated	Anodyne	
COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1F	ZINC000587042546	EG	Annotated	Anodyne	
COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1F	ZINC000587042547	EG	Annotated	Anodyne	
OCCc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042698	EG	Annotated	Anodyne	
OCCc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042699	EG	Annotated	Anodyne	
OCCc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042700	EG	Annotated	Anodyne	
OCCc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1	ZINC000587042701	EG	Annotated	Anodyne	
O=C1CSC[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)N1	ZINC000587042712	EG	Annotated	Anodyne	
O=C1CSC[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)N1	ZINC000587042713	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c(COc3ccccc3C3SCCS3)nc12	ZINC000587042745	EG	Annotated	Anodyne	
O=C1CSc2ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2N1	ZINC000587042776	EG	Annotated	Bother	
COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1F	ZINC000587042780	EG	Annotated	Anodyne	
c1ccc(C2SCCS2)c(OCc2nc3cncnc3[nH]2)c1	ZINC000587042806	EG	Annotated	Anodyne	
O=C1CSc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2N1	ZINC000587042814	EG	Annotated	Anodyne	
C=CCN1C(=O)S[C@H](Cc2nc3ccc(SC)cc3[nH]2)C1=O	ZINC000587042892	EG	Annotated	Mild	
C=CCN1C(=O)S[C@@H](Cc2nc3ccc(SC)cc3[nH]2)C1=O	ZINC000587042896	EG	Annotated	Mild	
Brc1c[nH]c2nc([C@H]3Cc4ccccc4S3)nc-2n1	ZINC000587042900	EG	Annotated	Anodyne	
Brc1c[nH]c2nc([C@@H]3Cc4ccccc4S3)nc-2n1	ZINC000587042901	EG	Annotated	Anodyne	
COc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1OC	ZINC000587043007	EG	Annotated	Anodyne	
COc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1OC	ZINC000587043009	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)cc(F)c2[nH]1	ZINC000587043033	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)cc(F)c2[nH]1	ZINC000587043034	EG	Annotated	Anodyne	
O=C1CSc2ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2N1	ZINC000587043228	EG	Annotated	Bother	
O=C1CSc2ccc(-c3nc4c(F)cnc(Cl)c4[nH]3)cc2N1	ZINC000587043288	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1	ZINC000587043399	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1	ZINC000587043415	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1	ZINC000587043424	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2cc1[N+](=O)[O-]	ZINC000587043496	EG	Annotated	Bother	
Cc1cc2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2cc1[N+](=O)[O-]	ZINC000587043497	EG	Annotated	Bother	
c1ccc(C[C@@H]2N[C@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1	ZINC000587043528	EG	Annotated	Anodyne	
c1ccc(C[C@@H]2N[C@@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1	ZINC000587043530	EG	Annotated	Anodyne	
c1ccc(C[C@H]2N[C@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1	ZINC000587043532	EG	Annotated	Anodyne	
c1ccc(C[C@H]2N[C@@H](c3nc4cc5cn[nH]c5cc4[nH]3)CS2)cc1	ZINC000587043534	EG	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccnc2[nH]1	ZINC000587043562	EG	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccnc2[nH]1	ZINC000587043563	EG	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cnccc2[nH]1	ZINC000587043594	EG	Annotated	Anodyne	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cnccc2[nH]1	ZINC000587043595	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587043630	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587043631	EG	Annotated	Anodyne	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000587043710	EG	Annotated	Bother	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000587043711	EG	Annotated	Bother	
O=C1CSc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2N1	ZINC000587043744	EG	Annotated	Anodyne	
Cc1cc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2cc1[N+](=O)[O-]	ZINC000587043745	EG	Annotated	Bother	
COc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1OC	ZINC000587043777	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(COc3ccccc3C3SCCS3)[nH]c12	ZINC000587043846	EG	Annotated	Anodyne	
O=C1CSC[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)N1	ZINC000587043894	EG	Annotated	Anodyne	
O=C1CSC[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)N1	ZINC000587043899	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12	ZINC000587044169	EG	Annotated	Mild	
c1ccc(C2SCCS2)c(OCc2nc3ncc[nH]c-3n2)c1	ZINC000587044387	EG	Annotated	Anodyne	
N=c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2c[nH]1	ZINC000587044388	EG	Annotated	Anodyne	
O=C1CSc2ccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2N1	ZINC000587044400	EG	Annotated	Anodyne	
O=C1CSC[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)N1	ZINC000587044431	EG	Annotated	Anodyne	
O=C1CSC[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)N1	ZINC000587044432	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2cc1C#N	ZINC000587044462	EG	Annotated	Mild	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(O)ncnc2[nH]1	ZINC000587044503	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncnc2[nH]1	ZINC000587044624	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnncc2[nH]1	ZINC000587044664	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ncc[nH]c-2n1	ZINC000587044675	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc[nH]c(=N)c2[nH]1	ZINC000587044683	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnnc(O)c2[nH]1	ZINC000587044794	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(=N)[nH]cc2[nH]1	ZINC000587044912	EG	Annotated	Anodyne	
COc1cc(-c2nc3c(N)ncnc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587045649	EG	Annotated	Anodyne	
COc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Cl)c1O	ZINC000587045677	EG	Annotated	Anodyne	
COc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Cl)c1O	ZINC000587045696	EG	Annotated	Anodyne	
COc1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc(Cl)c1OCC(C)C	ZINC000587045868	EG	Annotated	Anodyne	
COc1cc(-c2nc3c(O)ncnc3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046144	EG	Annotated	Anodyne	
COc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc(Cl)c1O	ZINC000587046212	EG	Annotated	Anodyne	
COc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc(Cl)c1O	ZINC000587046572	EG	Annotated	Anodyne	
COc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc(Cl)c1O	ZINC000587046573	EG	Annotated	Anodyne	
COc1cc(-c2nc3cnnc(O)c3[nH]2)cc(Cl)c1OCC(C)C	ZINC000587046655	EG	Annotated	Anodyne	
NC(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	ZINC000587047120	EG	Annotated	Bother	
NC(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	ZINC000587047122	EG	Annotated	Bother	
NC(=O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	ZINC000587047550	EG	Annotated	Bother	
NC(=O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	ZINC000587047551	EG	Annotated	Bother	
N=c1nc(O)c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1	ZINC000587047997	EG	Annotated	Anodyne	
N=c1nc(O)c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1	ZINC000587047999	EG	Annotated	Anodyne	
N=c1nc(O)c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1	ZINC000587048001	EG	Annotated	Anodyne	
N=c1nc(O)c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2[nH]1	ZINC000587048002	EG	Annotated	Anodyne	
Oc1nc(O)c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1	ZINC000587048479	EG	Annotated	Anodyne	
Oc1nc(O)c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1	ZINC000587048485	EG	Annotated	Anodyne	
Oc1nc(O)c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1	ZINC000587048489	EG	Annotated	Anodyne	
Oc1nc(O)c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1	ZINC000587048491	EG	Annotated	Anodyne	
Nc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1N	ZINC000587048892	EG	Annotated	Bother	
Nc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1N	ZINC000587048893	EG	Annotated	Bother	
O=[N+]([O-])c1cc(/C=C/c2nc3c(O)nc(S)nc3[nH]2)ccc1Cl	ZINC000587050883	EG	Annotated	Bother	
O=[N+]([O-])c1cc(/C=C\c2nc3c(O)nc(S)nc3[nH]2)ccc1Cl	ZINC000587050888	EG	Annotated	Bother	
N=c1[nH]c2nc(-c3cc(-n4cccc4)ccc3Cl)nc-2c(Cl)[nH]1	ZINC000587051145	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1	ZINC000587051187	EG	Annotated	Anodyne	
COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1F	ZINC000587051200	EG	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587051206	EG	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000587051210	EG	Annotated	Bother	
CC(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1	ZINC000587051534	EG	Annotated	Anodyne	
COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1OC	ZINC000587051950	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2cc1[N+](=O)[O-]	ZINC000587051988	EG	Annotated	Bother	
COc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1C	ZINC000587052002	EG	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587052197	EG	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587052350	EG	Annotated	Anodyne	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000587052406	EG	Annotated	Bother	
N#Cc1nc(Cl)cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12	ZINC000587052512	EG	Annotated	Mild	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2c(F)cnc(Cl)c2[nH]1	ZINC000587052590	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc12	ZINC000587052767	EG	Annotated	Anodyne	
CCc1cc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Cl	ZINC000587052815	EG	Annotated	Anodyne	
N#Cc1nc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2nc1C#N	ZINC000587052991	EG	Annotated	Mild	
CCc1cc(OCc2nc3c(O)nc(S)nc3[nH]2)ccc1Cl	ZINC000587053010	EG	Annotated	Anodyne	
Oc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(Cl)c1	ZINC000587054173	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1OC	ZINC000587054548	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1[N+](=O)[O-]	ZINC000587055547	EG	Annotated	Bother	
N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccccc1Cl	ZINC000587055957	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccccc1Cl	ZINC000587055960	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl	ZINC000587057077	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl	ZINC000587057087	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12	ZINC000587057685	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12	ZINC000587057705	EG	Annotated	Mild	
COc1cc(OC)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1	ZINC000587057768	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1	ZINC000587057773	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1	ZINC000587057816	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1	ZINC000587057823	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1	ZINC000587057861	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2c1	ZINC000587057865	EG	Annotated	Anodyne	
N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587058007	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(CCc4ccccc4Cl)nc3cc2N1	ZINC000587058082	EG	Annotated	Anodyne	
N[C@@H](Cc1ccccc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587058086	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1	ZINC000587058089	EG	Annotated	Anodyne	
N[C@@H](Cc1ccccc1Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587058219	EG	Annotated	Anodyne	
N[C@@H](Cc1ccccc1Cl)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587058221	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccccc1Cl	ZINC000587058255	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccccc1Cl	ZINC000587058258	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1Cl	ZINC000587058268	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccccc1Cl	ZINC000587058269	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1Cl	ZINC000587058346	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccccc1Cl	ZINC000587058348	EG	Annotated	Anodyne	
N[C@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccccc1Cl	ZINC000587058350	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2c1	ZINC000587058351	EG	Annotated	Anodyne	
O[C@@H](c1nc2cncc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587058359	EG	Annotated	Anodyne	
O[C@H](c1nc2cncc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587058362	EG	Annotated	Anodyne	
O[C@@H](c1nc2cc(Br)cnc2[nH]1)c1ccccc1Cl	ZINC000587058363	EG	Annotated	Anodyne	
O[C@H](c1nc2cc(Br)cnc2[nH]1)c1ccccc1Cl	ZINC000587058364	EG	Annotated	Anodyne	
O[C@@H](c1nc2ccnc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587058478	EG	Annotated	Anodyne	
O[C@H](c1nc2ccnc(Br)c2[nH]1)c1ccccc1Cl	ZINC000587058480	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1Cl	ZINC000587058588	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccccc1Cl	ZINC000587058590	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12	ZINC000587058643	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12	ZINC000587058645	EG	Annotated	Anodyne	
O[C@@H](c1nc2ccc(Br)nc2[nH]1)c1ccccc1Cl	ZINC000587058660	EG	Annotated	Anodyne	
O[C@H](c1nc2ccc(Br)nc2[nH]1)c1ccccc1Cl	ZINC000587058661	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12	ZINC000587059003	EG	Annotated	Mild	
N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587059007	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cc1[N+](=O)[O-]	ZINC000587059008	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cc1[N+](=O)[O-]	ZINC000587059011	EG	Annotated	Bother	
O=C1CCc2cc3nc([C@@H](O)c4ccccc4Cl)[nH]c3cc2N1	ZINC000587059268	EG	Annotated	Anodyne	
O=C1CCc2cc3nc([C@H](O)c4ccccc4Cl)[nH]c3cc2N1	ZINC000587059269	EG	Annotated	Anodyne	
O[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl	ZINC000587059304	EG	Annotated	Anodyne	
O[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1Cl	ZINC000587059305	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1	ZINC000587059347	EG	Annotated	Anodyne	
N[C@@H](Cc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587059404	EG	Annotated	Anodyne	
O[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl	ZINC000587059528	EG	Annotated	Anodyne	
O[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccccc1Cl	ZINC000587059535	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1	ZINC000587059568	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1OC	ZINC000587059649	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1OC	ZINC000587059650	EG	Annotated	Anodyne	
O[C@@H](c1nc2cc(Br)ncc2[nH]1)c1ccccc1Cl	ZINC000587059736	EG	Annotated	Anodyne	
O[C@H](c1nc2cc(Br)ncc2[nH]1)c1ccccc1Cl	ZINC000587059737	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12	ZINC000587059817	EG	Annotated	Anodyne	
N[C@@H](Cc1ccccc1Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000587059848	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1	ZINC000587059955	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1	ZINC000587059956	EG	Annotated	Anodyne	
O[C@@H](c1nc2c(Br)ccnc2[nH]1)c1ccccc1Cl	ZINC000587059967	EG	Annotated	Anodyne	
O[C@H](c1nc2c(Br)ccnc2[nH]1)c1ccccc1Cl	ZINC000587059968	EG	Annotated	Anodyne	
Clc1ccccc1NCc1nc2nc(Br)c[nH]c-2n1	ZINC000587060124	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12	ZINC000587060686	EG	Annotated	Anodyne	
N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc(O)c3[nH]2)c[nH]1	ZINC000587060834	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc12	ZINC000587060845	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2n1	ZINC000587060950	EG	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3cncnc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587061042	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc2c1	ZINC000587061278	EG	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587061298	EG	Annotated	Mild	
CC[C@H](Oc1ccccc1Cl)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587061301	EG	Annotated	Mild	
N#Cc1nc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2nc1C#N	ZINC000587061317	EG	Annotated	Mild	
O=C1COc2cc3[nH]c(CNc4ccccc4Cl)nc3cc2N1	ZINC000587061720	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12	ZINC000587061734	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3c[nH]c(=N)nc3-c3ccccc3Cl)nc12	ZINC000587061777	EG	Annotated	Anodyne	
N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)cnc3[nH]2)c[nH]1	ZINC000587061814	EG	Annotated	Anodyne	
CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587062497	EG	Annotated	Reactive	
CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587062500	EG	Annotated	Reactive	
CCN1C(=O)C[C@@H](c2nc3cnncc3[nH]2)[C@@H]1c1ccccc1Cl	ZINC000587062555	EG	Annotated	Anodyne	
CCN1C(=O)C[C@@H](c2nc3ncc[nH]c-3n2)[C@@H]1c1ccccc1Cl	ZINC000587062624	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc-2c(Cl)[nH]1	ZINC000587063242	EG	Annotated	Anodyne	
COc1cnc(-c2nc3c(Br)cncc3[nH]2)cc1Cl	ZINC000587064251	EG	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)c(C)c1Cl	ZINC000587064383	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1Cl	ZINC000587064486	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cncc(Br)c3[nH]2)c1Cl	ZINC000587064516	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(CO)cc2[nH]1	ZINC000587064587	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3ccnc(Br)c3[nH]2)c1Cl	ZINC000587064626	EG	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2c1OC	ZINC000587064693	EG	Annotated	Anodyne	
COc1cnc(-c2nc3cnc(Br)cc3[nH]2)cc1Cl	ZINC000587064710	EG	Annotated	Anodyne	
COc1cnc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1Cl	ZINC000587064714	EG	Annotated	Anodyne	
COc1cnc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Cl	ZINC000587064728	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3cc(Cl)c(OC)cn3)[nH]c2cc1OC	ZINC000587064737	EG	Annotated	Anodyne	
COc1cnc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1Cl	ZINC000587064752	EG	Annotated	Bother	
CCOc1n[nH]c(-c2nc3ccc(Br)nc3[nH]2)c1Cl	ZINC000587064802	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Br)ncc3[nH]2)c1Cl	ZINC000587064805	EG	Annotated	Anodyne	
N=c1nc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c[nH]1	ZINC000587064899	EG	Annotated	Anodyne	
COc1cnc(-c2nc3nc(Br)ccc3[nH]2)cc1Cl	ZINC000587064913	EG	Annotated	Anodyne	
COc1cnc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1Cl	ZINC000587064928	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(Br)cnc3[nH]2)c1Cl	ZINC000587064950	EG	Annotated	Anodyne	
COc1cnc(-c2nc3nccc(Br)c3[nH]2)cc1Cl	ZINC000587065115	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1Cl	ZINC000587065205	EG	Annotated	Bother	
Cc1nn(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)c(C)c1Cl	ZINC000587065220	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1Cl	ZINC000587065282	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1Cl	ZINC000587065326	EG	Annotated	Anodyne	
COc1cnc(-c2nc3c(Br)nccc3[nH]2)cc1Cl	ZINC000587065330	EG	Annotated	Anodyne	
COc1cnc(-c2nc3ncc(Br)cc3[nH]2)cc1Cl	ZINC000587065370	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3c(Br)ccnc3[nH]2)c1Cl	ZINC000587065374	EG	Annotated	Anodyne	
COc1cnc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1Cl	ZINC000587065385	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3[nH]nc(OCC)c3Cl)[nH]c2c1	ZINC000587065403	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C#N)cc2[nH]1	ZINC000587065419	EG	Annotated	Mild	
Nc1ncnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12	ZINC000587065445	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(O)cc2[nH]1	ZINC000587065449	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4ncccc4Cl)[nH]c3c2)NNC(=O)C1	ZINC000587065477	EG	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c(C)c1Cl	ZINC000587065620	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(F)cnc2[nH]1	ZINC000587065766	EG	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4c(N)ncnc4[nH]3)c2)c(C)c1Cl	ZINC000587065775	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cl	ZINC000587065789	EG	Annotated	Anodyne	
Cc1nn(-c2cccc(-c3nc4c(O)ncnc4[nH]3)c2)c(C)c1Cl	ZINC000587065791	EG	Annotated	Anodyne	
CCOc1n[nH]c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1Cl	ZINC000587065793	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)nc(O)nc2[nH]1	ZINC000587065953	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cncc(OC)c2[nH]1	ZINC000587066326	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1C#Cc1nc2c(S)nc(S)nc2[nH]1	ZINC000587066351	EG	Annotated	Mild	
CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587066562	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1C#Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587066576	EG	Annotated	Mild	
COc1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2n1	ZINC000587066738	EG	Annotated	Anodyne	
COc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cn1	ZINC000587066752	EG	Annotated	Anodyne	
COc1cc(Cl)ccc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587066846	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)ncnc2[nH]1	ZINC000587066860	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccnc(OC)c2[nH]1	ZINC000587066880	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(O)nncc2[nH]1	ZINC000587066881	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C#N)c2[nH]1	ZINC000587066910	EG	Annotated	Mild	
CNc1cc(Cl)ccc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587066964	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2cn1	ZINC000587066982	EG	Annotated	Mild	
COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587067031	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(C#Cc3ccc(Cl)cc3C)nc12	ZINC000587067067	EG	Annotated	Mild	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	ZINC000587067160	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)ccnc2[nH]1	ZINC000587067261	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2c(C)nccc2[nH]1	ZINC000587067276	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C)nc2[nH]1	ZINC000587067285	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)cnc2[nH]1	ZINC000587067297	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C#Cc3ccc(Cl)cc3C)[nH]c2n1	ZINC000587067298	EG	Annotated	Mild	
COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(O)c2[nH]1	ZINC000587067299	EG	Annotated	Anodyne	
COc1cc(Cl)cc(C=O)c1OCc1nc2cncc(C)c2[nH]1	ZINC000587067415	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1C#Cc1nc2nc(Br)c[nH]c-2n1	ZINC000587067428	EG	Annotated	Mild	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587067488	EG	Annotated	Reactive	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(O)nc(S)nc2[nH]1	ZINC000587067603	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1O[C@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587067617	EG	Annotated	Mild	
Oc1nc(S)nc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc12	ZINC000587067954	EG	Annotated	Anodyne	
N=c1nc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c(Cl)[nH]1	ZINC000587068183	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1)c1nc2nc(C(F)(F)F)ncc2[nH]1	ZINC000587068489	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12	ZINC000587068806	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12	ZINC000587068811	EG	Annotated	Mild	
N#Cc1cc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C#N	ZINC000587068824	EG	Annotated	Mild	
N#Cc1cc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2cc1C#N	ZINC000587068825	EG	Annotated	Mild	
C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1	ZINC000587068989	EG	Annotated	Anodyne	
C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1	ZINC000587068998	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1	ZINC000587069093	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1	ZINC000587069095	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587069185	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587069192	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000587069272	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000587069273	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000587069290	EG	Annotated	Bother	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000587069291	EG	Annotated	Bother	
COC(=O)c1cccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c12	ZINC000587069358	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c12	ZINC000587069359	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1	ZINC000587069777	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1	ZINC000587069782	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1	ZINC000587069787	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c2c1	ZINC000587069788	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587069818	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587069825	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587069952	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587069953	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c(C(=O)O)cc2[nH]1	ZINC000587070333	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000587070593	EG	Annotated	Bother	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	ZINC000587070594	EG	Annotated	Bother	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587071133	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587071136	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587071185	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587071193	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587071195	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587071197	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587071203	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587071242	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587071243	EG	Annotated	Anodyne	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587071262	EG	Annotated	Anodyne	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587071263	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1)c1nc2cc3[nH]c(O)nc3cc2[nH]1	ZINC000587071292	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1)c1nc2c(C(=O)O)cc(F)cc2[nH]1	ZINC000587072639	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587072731	EG	Annotated	Anodyne	
NNC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1	ZINC000587072970	EG	Annotated	Reactive	
N=c1[nH]c2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2c(Cl)[nH]1	ZINC000587073237	EG	Annotated	Anodyne	
N#Cc1nc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2nc1C#N	ZINC000587073518	EG	Annotated	Mild	
N#Cc1nc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2nc1C#N	ZINC000587074127	EG	Annotated	Mild	
NNC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1	ZINC000587074220	EG	Annotated	Reactive	
Cc1c(-c2nc3cc(F)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1	ZINC000587074334	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc12	ZINC000587074456	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc12	ZINC000587074716	EG	Annotated	Anodyne	
Oc1nncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12	ZINC000587074816	EG	Annotated	Anodyne	
Oc1nncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12	ZINC000587074817	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12	ZINC000587074871	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12	ZINC000587074872	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1C#N	ZINC000587075002	EG	Annotated	Mild	
COc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1	ZINC000587075038	EG	Annotated	Anodyne	
COc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1	ZINC000587075040	EG	Annotated	Anodyne	
OCc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	ZINC000587075079	EG	Annotated	Anodyne	
OCc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	ZINC000587075082	EG	Annotated	Anodyne	
COc1cncc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587075137	EG	Annotated	Anodyne	
COc1cncc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587075138	EG	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)ncnc2[nH]1	ZINC000587075448	EG	Annotated	Anodyne	
Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(O)nncc2[nH]1	ZINC000587075483	EG	Annotated	Anodyne	
COc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1	ZINC000587075641	EG	Annotated	Anodyne	
COc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cn1	ZINC000587075642	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1	ZINC000587076014	EG	Annotated	Bother	
O=[N+]([O-])c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12	ZINC000587076032	EG	Annotated	Bother	
Clc1ccc(-n2cc(-c3nc4cc5c(cc4[nH]3)OCO5)nn2)cc1	ZINC000587076049	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12	ZINC000587076094	EG	Annotated	Anodyne	
Clc1ccc(C2=C[C@@H](c3nc4c(Cl)ncnc4[nH]3)ON2)cc1	ZINC000587076112	EG	Annotated	Anodyne	
Clc1ccc(C2=C[C@H](c3nc4c(Cl)ncnc4[nH]3)ON2)cc1	ZINC000587076118	EG	Annotated	Anodyne	
OCCc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	ZINC000587076181	EG	Annotated	Anodyne	
OCCc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1	ZINC000587076182	EG	Annotated	Anodyne	
Clc1ccc(-c2nnc(CCc3nc4cccnc4[nH]3)o2)cc1	ZINC000587076183	EG	Annotated	Anodyne	
Cc1c(-c2nc3ccnc(O)c3[nH]2)cnn1-c1ccc(Cl)cc1	ZINC000587076218	EG	Annotated	Anodyne	
Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccnc(O)c2[nH]1	ZINC000587076306	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12	ZINC000587076337	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12	ZINC000587076339	EG	Annotated	Anodyne	
COc1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12	ZINC000587076463	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587076567	EG	Annotated	Bother	
O=[N+]([O-])c1cncc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587076574	EG	Annotated	Bother	
Clc1ccc(-c2nnc(CCc3nc4cnccc4[nH]3)o2)cc1	ZINC000587076743	EG	Annotated	Anodyne	
N=c1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c[nH]1	ZINC000587076778	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2n1	ZINC000587076794	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12	ZINC000587076858	EG	Annotated	Anodyne	
N=c1[nH]c2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2c(Cl)[nH]1	ZINC000587076967	EG	Annotated	Anodyne	
Clc1ccc(C2=C[C@H](c3nc4cnc(Cl)[nH]c-4n3)ON2)cc1	ZINC000587076975	EG	Annotated	Anodyne	
Clc1ccc(C2=C[C@@H](c3nc4cnc(Cl)[nH]c-4n3)ON2)cc1	ZINC000587076976	EG	Annotated	Anodyne	
Oc1nccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12	ZINC000587077000	EG	Annotated	Anodyne	
Nc1ncnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12	ZINC000587077069	EG	Annotated	Anodyne	
COc1nccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587077260	EG	Annotated	Anodyne	
COc1nccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12	ZINC000587077261	EG	Annotated	Anodyne	
N=c1[nH]ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12	ZINC000587077459	EG	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1	ZINC000587077539	EG	Annotated	Bother	
O=[N+]([O-])c1cnc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1	ZINC000587077540	EG	Annotated	Bother	
Clc1ccc(C2=C[C@@H](c3nc4nc(Cl)c[nH]c-4n3)ON2)cc1	ZINC000587077769	EG	Annotated	Anodyne	
Clc1ccc(C2=C[C@H](c3nc4nc(Cl)c[nH]c-4n3)ON2)cc1	ZINC000587077770	EG	Annotated	Anodyne	
N=c1[nH]cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2[nH]1	ZINC000587078196	EG	Annotated	Clean	
Clc1ccc2ccn(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c2c1	ZINC000587078830	EG	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(O)c2[nH]1	ZINC000587078846	EG	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(O)c2[nH]1	ZINC000587078847	EG	Annotated	Anodyne	
CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(C(=O)OC)ccc3[nH]2)n1	ZINC000587078932	EG	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3nc(C(=O)OC)ccc3[nH]2)n1	ZINC000587078937	EG	Annotated	Anodyne	
COc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cn1	ZINC000587079010	EG	Annotated	Anodyne	
COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cn1	ZINC000587079013	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc12	ZINC000587079050	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c([C@H](C)n3cc(Cl)cn3)nc12	ZINC000587079052	EG	Annotated	Anodyne	
C[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc(Cl)cn1	ZINC000587079071	EG	Annotated	Anodyne	
C[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)n1cc(Cl)cn1	ZINC000587079072	EG	Annotated	Anodyne	
CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1	ZINC000587079081	EG	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1	ZINC000587079082	EG	Annotated	Anodyne	
COc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1	ZINC000587079119	EG	Annotated	Anodyne	
COc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1	ZINC000587079120	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cn1	ZINC000587079132	EG	Annotated	Anodyne	
C[C@@H](c1nc2cncc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587079185	EG	Annotated	Anodyne	
C[C@H](c1nc2cncc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587079190	EG	Annotated	Anodyne	
N=c1[nH]c2nc(Cn3ccc4ccc(Cl)cc43)nc-2c(Cl)[nH]1	ZINC000587079237	EG	Annotated	Anodyne	
C[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc(Cl)cn1	ZINC000587079328	EG	Annotated	Anodyne	
C[C@H](c1nc2ccc(Br)c(O)c2[nH]1)n1cc(Cl)cn1	ZINC000587079331	EG	Annotated	Anodyne	
C[C@@H](c1nc2cc(Br)ncc2[nH]1)n1cc(Cl)cn1	ZINC000587079414	EG	Annotated	Anodyne	
C[C@H](c1nc2cc(Br)ncc2[nH]1)n1cc(Cl)cn1	ZINC000587079416	EG	Annotated	Anodyne	
Nc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1N	ZINC000587079519	EG	Annotated	Anodyne	
Nc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1N	ZINC000587079520	EG	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CO)cc2[nH]1	ZINC000587079564	EG	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(CO)cc2[nH]1	ZINC000587079565	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2n1	ZINC000587079645	EG	Annotated	Anodyne	
Oc1nc2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2[nH]1	ZINC000587079648	EG	Annotated	Anodyne	
Oc1nc2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc2[nH]1	ZINC000587079650	EG	Annotated	Anodyne	
CC[C@@H](C)n1cc(Cl)c(-c2nc3cnc(C(=O)OC)cc3[nH]2)n1	ZINC000587079712	EG	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3cnc(C(=O)OC)cc3[nH]2)n1	ZINC000587079714	EG	Annotated	Anodyne	
CC[C@@H](C)n1cc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)n1	ZINC000587079716	EG	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3c(S)nc(S)nc3[nH]2)n1	ZINC000587079721	EG	Annotated	Anodyne	
C[C@@H](c1nc2ccc(Br)nc2[nH]1)n1cc(Cl)cn1	ZINC000587079745	EG	Annotated	Anodyne	
C[C@H](c1nc2ccc(Br)nc2[nH]1)n1cc(Cl)cn1	ZINC000587079747	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12	ZINC000587079847	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12	ZINC000587079852	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12	ZINC000587079925	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2c1	ZINC000587079951	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c([C@H](C)n3cc(Cl)cn3)nc2c1	ZINC000587079956	EG	Annotated	Anodyne	
C[C@@H](c1nc2c(Br)ccnc2[nH]1)n1cc(Cl)cn1	ZINC000587079957	EG	Annotated	Anodyne	
C[C@H](c1nc2c(Br)ccnc2[nH]1)n1cc(Cl)cn1	ZINC000587079958	EG	Annotated	Anodyne	
COc1cncc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12	ZINC000587080057	EG	Annotated	Anodyne	
COc1cncc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12	ZINC000587080058	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12	ZINC000587080068	EG	Annotated	Anodyne	
C[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc(Cl)cn1	ZINC000587080072	EG	Annotated	Anodyne	
C[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)n1cc(Cl)cn1	ZINC000587080073	EG	Annotated	Anodyne	
Cc1nc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2cc1Br	ZINC000587080093	EG	Annotated	Anodyne	
Cc1nc2[nH]c([C@H](C)n3cc(Cl)cn3)nc2cc1Br	ZINC000587080094	EG	Annotated	Anodyne	
C[C@@H](c1nc2cc(Br)cnc2[nH]1)n1cc(Cl)cn1	ZINC000587080112	EG	Annotated	Anodyne	
C[C@H](c1nc2cc(Br)cnc2[nH]1)n1cc(Cl)cn1	ZINC000587080113	EG	Annotated	Anodyne	
O=C(CCCc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(Cl)cn1	ZINC000587080228	EG	Annotated	Bother	
CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)n1	ZINC000587080326	EG	Annotated	Anodyne	
CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)n1	ZINC000587080335	EG	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ncnc2[nH]1	ZINC000587080401	EG	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Cl)ncnc2[nH]1	ZINC000587080518	EG	Annotated	Anodyne	
C[C@@H](c1nc2ccnc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587080555	EG	Annotated	Anodyne	
C[C@H](c1nc2ccnc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587080556	EG	Annotated	Anodyne	
COc1nccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12	ZINC000587080562	EG	Annotated	Anodyne	
COc1nccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12	ZINC000587080563	EG	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2nc(Cl)c[nH]c-2n1	ZINC000587080605	EG	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2nc(Cl)c[nH]c-2n1	ZINC000587080608	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1	ZINC000587080720	EG	Annotated	Anodyne	
Sc1nc(S)c2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1	ZINC000587080726	EG	Annotated	Anodyne	
C[C@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587080752	EG	Annotated	Anodyne	
C[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)n1cc(Cl)cn1	ZINC000587080753	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12	ZINC000587080830	EG	Annotated	Clean	
COc1cncc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12	ZINC000587080979	EG	Annotated	Anodyne	
O=C(CCCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Cl)cn1	ZINC000587080998	EG	Annotated	Anodyne	
Clc1cnn2c(-c3nc4ncncc4[nH]3)cc(-c3ccccc3)nc12	ZINC000587081018	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1	ZINC000587081109	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cn1	ZINC000587081110	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@@H]4Cc5cc(Cl)ccc5O4)nc3cc2N1	ZINC000587081126	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H]4Cc5cc(Cl)ccc5O4)nc3cc2N1	ZINC000587081127	EG	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc(Cl)[nH]c-2n1	ZINC000587081250	EG	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cnc(Cl)[nH]c-2n1	ZINC000587081251	EG	Annotated	Anodyne	
Clc1cnn2c(-c3nc4ncc[nH]c-4n3)cc(-c3ccccc3)nc12	ZINC000587081289	EG	Annotated	Anodyne	
Clc1cnn2c(-c3nc4cnncc4[nH]3)cc(-c3ccccc3)nc12	ZINC000587081347	EG	Annotated	Anodyne	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cnc2[nH]1	ZINC000587081351	EG	Annotated	Anodyne	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(F)cnc2[nH]1	ZINC000587081352	EG	Annotated	Anodyne	
COc1nccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12	ZINC000587081378	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1	ZINC000587081485	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2n1	ZINC000587081487	EG	Annotated	Anodyne	
O=C(CCCc1nc2ccc(CO)cc2[nH]1)c1ccc(Cl)cn1	ZINC000587081649	EG	Annotated	Anodyne	
COc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2n1	ZINC000587081717	EG	Annotated	Anodyne	
O=C(CCCc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Cl)cn1	ZINC000587081890	EG	Annotated	Anodyne	
O=C(CCCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Cl)cn1	ZINC000587081893	EG	Annotated	Anodyne	
O=C(CCCc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cn1	ZINC000587081900	EG	Annotated	Bother	
COc1cc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2cn1	ZINC000587081923	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2c1	ZINC000587082382	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2c1	ZINC000587082459	EG	Annotated	Anodyne	
O=C(CCCc1nc2c(Cl)ncnc2[nH]1)c1ccc(Cl)cn1	ZINC000587082461	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12	ZINC000587082514	EG	Annotated	Anodyne	
Nc1ncnc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c12	ZINC000587082660	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12	ZINC000587082922	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2n1	ZINC000587083128	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc-2[nH]1	ZINC000587083499	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(Cl)n1	ZINC000587083577	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cncc(Br)c3[nH]2)c(Cl)n1	ZINC000587083659	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Br)ncc3[nH]2)c(Cl)n1	ZINC000587083660	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3ccc(OC)nc3Cl)[nH]c2c1	ZINC000587083701	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Br)cnc3[nH]2)c(Cl)n1	ZINC000587083729	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(Cl)n1	ZINC000587083733	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccnc(Br)c3[nH]2)c(Cl)n1	ZINC000587083740	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2n1	ZINC000587083812	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1	ZINC000587083922	EG	Annotated	Anodyne	
Clc1ccc(-c2nc3nc(Br)c[nH]c-3n2)nc1Cl	ZINC000587083951	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(Cl)n1	ZINC000587083980	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(Cl)n1	ZINC000587084026	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(Cl)n1	ZINC000587084039	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3ccc(OC)nc3Cl)[nH]c2c1OC	ZINC000587084062	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc(Br)nc3[nH]2)c(Cl)n1	ZINC000587084070	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1	ZINC000587084134	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1	ZINC000587084135	EG	Annotated	Anodyne	
Clc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCO5)CC2)n1	ZINC000587084378	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2n1	ZINC000587084412	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc12	ZINC000587084471	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1	ZINC000587084508	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3cc(Cl)nc4ccccc34)nc12	ZINC000587084624	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12	ZINC000587084771	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(C3(c4cccc(Cl)n4)CC3)nc-2[nH]1	ZINC000587084796	EG	Annotated	Anodyne	
Clc1nccnc1N1CCC(c2nc3cncc(Cl)c3[nH]2)CC1	ZINC000587084829	EG	Annotated	Anodyne	
Clc1cc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cc2cn1	ZINC000587084891	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc12	ZINC000587084892	EG	Annotated	Anodyne	
Clc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1	ZINC000587084899	EG	Annotated	Anodyne	
N#Cc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12	ZINC000587084903	EG	Annotated	Mild	
Oc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12	ZINC000587084980	EG	Annotated	Anodyne	
Clc1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1	ZINC000587084991	EG	Annotated	Anodyne	
Cc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2n1	ZINC000587085033	EG	Annotated	Anodyne	
O=C1COc2cc3nc(-c4ccc(Cl)c(Cl)n4)[nH]c3cc2N1	ZINC000587085087	EG	Annotated	Anodyne	
Cc1cc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c(C)n1	ZINC000587085139	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3ccc4cc(Cl)ncc4c3)nc-2c(Cl)[nH]1	ZINC000587085279	EG	Annotated	Anodyne	
Clc1nccnc1N1CCC(c2nc3ccnc(Cl)c3[nH]2)CC1	ZINC000587085335	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1	ZINC000587085353	EG	Annotated	Anodyne	
Clc1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c2ccccc2n1	ZINC000587085392	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cc(Cl)nc4ccccc34)nc-2c(Cl)[nH]1	ZINC000587085399	EG	Annotated	Anodyne	
Cc1cncc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12	ZINC000587085488	EG	Annotated	Anodyne	
Clc1nccnc1N1CCC(c2nc3c(Cl)ccnc3[nH]2)CC1	ZINC000587085556	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(C4(c5cccc(Cl)n5)CC4)nc3cc2N1	ZINC000587085683	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2n1	ZINC000587085720	EG	Annotated	Anodyne	
Clc1ncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cn1	ZINC000587085734	EG	Annotated	Anodyne	
Oc1c(Br)ccc2nc(-c3cnc(Cl)nc3)[nH]c12	ZINC000587085761	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1	ZINC000587085773	EG	Annotated	Mild	
Oc1nc(S)nc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12	ZINC000587085855	EG	Annotated	Anodyne	
FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cnc(Cl)nc3)nc1-2	ZINC000587085874	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587085974	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1	ZINC000587085982	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587086005	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587086043	EG	Annotated	Anodyne	
Clc1nc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2ccccc12	ZINC000587086060	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cc4ccccc4c(Cl)n3)nc-2c(Cl)[nH]1	ZINC000587086146	EG	Annotated	Anodyne	
Oc1nc2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc2[nH]1	ZINC000587086213	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587086296	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587086300	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3nc(Cl)cnc3N)[nH]c12	ZINC000587086346	EG	Annotated	Anodyne	
COc1ccc(-c2nc3c(Br)ccnc3[nH]2)c(Cl)n1	ZINC000587086402	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1C(F)(F)F	ZINC000587086417	EG	Annotated	Mild	
CC(C)(F)[C@@H](Br)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587086481	EG	Annotated	Reactive	
CC(C)(F)[C@H](Br)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587086482	EG	Annotated	Reactive	
N#Cc1ccc2nc(C(F)(Br)Br)[nH]c2c1	ZINC000587086526	EG	Annotated	Mild	
Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587086881	EG	Annotated	Anodyne	
Cc1cc2[nH]c(C(F)(Br)Br)nc2c(C)n1	ZINC000587086984	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2ccnc(Cl)c2[nH]1	ZINC000587087019	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587087051	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1	ZINC000587087066	EG	Annotated	Reactive	
CN(C)C(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1	ZINC000587087069	EG	Annotated	Reactive	
FC(F)=C(C[C@H]1CCCN1)c1nc2c(Br)ccnc2[nH]1	ZINC000587087146	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Br)ccnc2[nH]1	ZINC000587087150	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)ncc2[nH]1	ZINC000587087189	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)ncc2[nH]1	ZINC000587087191	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2ccc(Cl)nc2[nH]1	ZINC000587087235	EG	Annotated	Anodyne	
N#Cc1cccc2nc(C(F)(Br)Br)[nH]c12	ZINC000587087337	EG	Annotated	Mild	
FC(F)=C(C[C@@H]1CCCN1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587087500	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587087503	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587087561	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587087565	EG	Annotated	Anodyne	
CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587087647	EG	Annotated	Reactive	
CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587087653	EG	Annotated	Reactive	
CN(C)C(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1	ZINC000587087745	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1	ZINC000587087748	EG	Annotated	Anodyne	
COc1cccc2nc(C(F)(Br)Br)[nH]c12	ZINC000587087808	EG	Annotated	Anodyne	
CC(C)(F)[C@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000587087857	EG	Annotated	Reactive	
CC(C)(F)[C@@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1	ZINC000587087858	EG	Annotated	Reactive	
O=C1CCc2cc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3cc2N1	ZINC000587087952	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3cc2N1	ZINC000587087953	EG	Annotated	Anodyne	
CC(C)(F)[C@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587087964	EG	Annotated	Reactive	
CC(C)(F)[C@@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587087976	EG	Annotated	Reactive	
CC(C)(F)[C@@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587087977	EG	Annotated	Reactive	
CC(C)(F)[C@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587087978	EG	Annotated	Reactive	
Nc1ncc(Cl)nc1-c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587088091	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2c(Cl)ccnc2[nH]1	ZINC000587088144	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1	ZINC000587088183	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1	ZINC000587088184	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587088200	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12	ZINC000587088316	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12	ZINC000587088323	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2cncc(Cl)c2[nH]1	ZINC000587088358	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2cc(Cl)ncc2[nH]1	ZINC000587088424	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1-c1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587088434	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3nc(Cl)cnc3N)[nH]c12	ZINC000587088450	EG	Annotated	Anodyne	
Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br	ZINC000587088490	EG	Annotated	Anodyne	
FC(Br)(Br)c1nc2cc(Cl)cnc2[nH]1	ZINC000587088590	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)cnc2[nH]1	ZINC000587088849	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)cnc2[nH]1	ZINC000587088850	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2ccnc(Br)c2[nH]1	ZINC000587088860	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2ccnc(Br)c2[nH]1	ZINC000587088861	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1F	ZINC000587088873	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1F	ZINC000587088875	EG	Annotated	Bother	
O=C(O)c1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cc1F	ZINC000587088918	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cc1F	ZINC000587088919	EG	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2cncc(Br)c2[nH]1	ZINC000587088959	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2cncc(Br)c2[nH]1	ZINC000587088965	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2cncc(Br)c2[nH]1	ZINC000587088966	EG	Annotated	Anodyne	
FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(Br)nc2[nH]1	ZINC000587089008	EG	Annotated	Anodyne	
FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(Br)nc2[nH]1	ZINC000587089009	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1	ZINC000587089031	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1	ZINC000587089032	EG	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2c(Br)ccnc2[nH]1	ZINC000587089121	EG	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2cc(Br)ncc2[nH]1	ZINC000587089221	EG	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2cc(Br)cnc2[nH]1	ZINC000587089299	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1[N+](=O)[O-]	ZINC000587089603	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1[N+](=O)[O-]	ZINC000587089608	EG	Annotated	Bother	
Fc1cc2[nH]c(C(F)(F)c3ccccn3)nc2cc1-n1cccn1	ZINC000587089671	EG	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2ccc(Br)nc2[nH]1	ZINC000587089736	EG	Annotated	Anodyne	
FC(F)(c1ccccn1)c1nc2ccnc(Br)c2[nH]1	ZINC000587089821	EG	Annotated	Anodyne	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ncc[nH]c-2n1	ZINC000587090206	EG	Annotated	Mild	
FC1(F)Oc2cc3nc(C(F)(F)c4ccccn4)[nH]c3cc2O1	ZINC000587090318	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1OC	ZINC000587090388	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1OC	ZINC000587090391	EG	Annotated	Anodyne	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncnc2[nH]1	ZINC000587090503	EG	Annotated	Mild	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnncc2[nH]1	ZINC000587090529	EG	Annotated	Mild	
CCOC(=O)Cc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1	ZINC000587090721	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1OC	ZINC000587090800	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1OC	ZINC000587090801	EG	Annotated	Anodyne	
Fc1cnc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc12	ZINC000587090849	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12	ZINC000587090855	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1C#N	ZINC000587091123	EG	Annotated	Mild	
Cc1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12	ZINC000587091201	EG	Annotated	Bother	
Cc1c(F)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12	ZINC000587091228	EG	Annotated	Bother	
FC(F)(F)COc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccn1	ZINC000587091389	EG	Annotated	Anodyne	
Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1F	ZINC000587091507	EG	Annotated	Bother	
O=[N+]([O-])c1cnc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1	ZINC000587091610	EG	Annotated	Bother	
CCc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1	ZINC000587091649	EG	Annotated	Bother	
FC(F)(F)CCc1ocnc1-c1nc2c(S)nc(S)nc2[nH]1	ZINC000587091668	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(-c2nc3ccc(F)c(F)c3[nH]2)nn1CC(F)(F)F	ZINC000587091673	EG	Annotated	Bother	
Nc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1N	ZINC000587091778	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12	ZINC000587091813	EG	Annotated	Bother	
FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587091970	EG	Annotated	Anodyne	
FC(F)(F)COc1cc(-c2nc3c(Cl)ncnc3[nH]2)ccn1	ZINC000587092006	EG	Annotated	Anodyne	
Oc1nc2cc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3cc2[nH]1	ZINC000587092072	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12	ZINC000587092119	EG	Annotated	Bother	
N[C@H](N=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1	ZINC000587092138	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1C#N	ZINC000587092140	EG	Annotated	Mild	
N[C@@H](N=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1	ZINC000587092149	EG	Annotated	Anodyne	
FC(F)(F)CCc1ocnc1-c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587092156	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(-c2nc3cc(F)cc(F)c3[nH]2)nn1CC(F)(F)F	ZINC000587092185	EG	Annotated	Bother	
CCOc1ccccc1[C@](N)(c1nc2cccnc2[nH]1)C(F)(F)F	ZINC000587092340	EG	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2cccnc2[nH]1)C(F)(F)F	ZINC000587092343	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(-c2nc3ccc(F)cc3[nH]2)nn1CC(F)(F)F	ZINC000587092431	EG	Annotated	Bother	
Cc1cc(F)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1	ZINC000587092469	EG	Annotated	Bother	
O=[N+]([O-])c1cc(-c2nc3cccc(F)c3[nH]2)nn1CC(F)(F)F	ZINC000587092479	EG	Annotated	Bother	
O=C(O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12	ZINC000587092481	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12	ZINC000587092482	EG	Annotated	Anodyne	
OCCc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1	ZINC000587092556	EG	Annotated	Anodyne	
FC(F)(F)COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccn1	ZINC000587092687	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3c(C)nccc3[nH]2)C(F)(F)F)n1	ZINC000587092698	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3c(C)nccc3[nH]2)C(F)(F)F)n1	ZINC000587092707	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12	ZINC000587092755	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587092996	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587092999	EG	Annotated	Anodyne	
O=C(O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1	ZINC000587093056	EG	Annotated	Anodyne	
Oc1nc2cc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3cc2[nH]1	ZINC000587093076	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(-c2nc3cc(F)c(F)cc3[nH]2)nn1CC(F)(F)F	ZINC000587093087	EG	Annotated	Bother	
Cc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1	ZINC000587093143	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1	ZINC000587093184	EG	Annotated	Anodyne	
OCCc1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1	ZINC000587093302	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587093382	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587093390	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587093392	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587093394	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3c(C)ccnc3[nH]2)C(F)(F)F)n1	ZINC000587093462	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3c(C)ccnc3[nH]2)C(F)(F)F)n1	ZINC000587093463	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587093488	EG	Annotated	Mild	
C[C@H](NC(=O)CC(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587093490	EG	Annotated	Mild	
Cc1csc([C@](O)(Cc2nc3cccc(O)c3[nH]2)C(F)(F)F)n1	ZINC000587093545	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3cccc(O)c3[nH]2)C(F)(F)F)n1	ZINC000587093547	EG	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@@H]3C(F)(F)F)nc-2[nH]1	ZINC000587093707	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12	ZINC000587093708	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3cncc(C)c3[nH]2)C(F)(F)F)n1	ZINC000587093731	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3cncc(C)c3[nH]2)C(F)(F)F)n1	ZINC000587093733	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3ccc(C)nc3[nH]2)C(F)(F)F)n1	ZINC000587093777	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3ccc(C)nc3[nH]2)C(F)(F)F)n1	ZINC000587093779	EG	Annotated	Anodyne	
CCOc1ccccc1[C@](N)(c1nc2cnccc2[nH]1)C(F)(F)F	ZINC000587093824	EG	Annotated	Anodyne	
CCOc1ccccc1[C@@](N)(c1nc2cnccc2[nH]1)C(F)(F)F	ZINC000587093825	EG	Annotated	Anodyne	
N=c1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c[nH]1	ZINC000587093960	EG	Annotated	Anodyne	
FC(F)(F)[C@H]1C[C@@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587093963	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12	ZINC000587093987	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587094058	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587094059	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3ccccc3[nH]2)C(F)(F)F)n1	ZINC000587094174	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3ccccc3[nH]2)C(F)(F)F)n1	ZINC000587094175	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587094176	EG	Annotated	Mild	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587094177	EG	Annotated	Mild	
Cc1cnc2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1	ZINC000587094236	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2c1	ZINC000587094237	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3ccc(O)cc3[nH]2)C(F)(F)F)n1	ZINC000587094254	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3ccc(O)cc3[nH]2)C(F)(F)F)n1	ZINC000587094255	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587094366	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587094367	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587094376	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587094377	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3ccc(F)cc3[nH]2)C(F)(F)F)n1	ZINC000587094730	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3ccc(F)cc3[nH]2)C(F)(F)F)n1	ZINC000587094731	EG	Annotated	Anodyne	
Cc1ccc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1C(F)(F)F	ZINC000587094765	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc-2[nH]1	ZINC000587094803	EG	Annotated	Anodyne	
Cc1csc([C@](O)(Cc2nc3cccc(F)c3[nH]2)C(F)(F)F)n1	ZINC000587094876	EG	Annotated	Anodyne	
Cc1csc([C@@](O)(Cc2nc3cccc(F)c3[nH]2)C(F)(F)F)n1	ZINC000587094877	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587094894	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587094895	EG	Annotated	Anodyne	
Cc1ccc(Cc2nc3c(O)nc(S)nc3[nH]2)cc1C(F)(F)F	ZINC000587095066	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc-2[nH]1	ZINC000587095105	EG	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1	ZINC000587095109	EG	Annotated	Anodyne	
CC(C)Oc1ccc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1	ZINC000587095111	EG	Annotated	Anodyne	
C[C@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587095113	EG	Annotated	Anodyne	
C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587095115	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cn1	ZINC000587095361	EG	Annotated	Anodyne	
COc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C(F)(F)F)c1	ZINC000587095470	EG	Annotated	Anodyne	
Nc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C(F)(F)F)c1	ZINC000587095501	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc12	ZINC000587095559	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2n1	ZINC000587095608	EG	Annotated	Anodyne	
Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(C(F)(F)F)c1	ZINC000587095650	EG	Annotated	Anodyne	
Nc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C(F)(F)F)c1	ZINC000587095713	EG	Annotated	Anodyne	
Cc1ccc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1C(F)(F)F	ZINC000587095808	EG	Annotated	Mild	
COC(=O)[C@@](C)(O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587096787	EG	Annotated	Anodyne	
COC(=O)[C@](C)(O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587096792	EG	Annotated	Anodyne	
COC(=O)C(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2	ZINC000587096831	EG	Annotated	Anodyne	
C[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccccc1C(F)(F)F	ZINC000587096993	EG	Annotated	Mild	
C[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccccc1C(F)(F)F	ZINC000587096994	EG	Annotated	Mild	
Oc1nc(S)nc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc12	ZINC000587097630	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3cccc(F)c3C(F)(F)F)nc-2c(Cl)[nH]1	ZINC000587098018	EG	Annotated	Anodyne	
COc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)c(C(F)(F)F)c1	ZINC000587098829	EG	Annotated	Anodyne	
Cc1ccc2c3c(cc(-c4no[nH]c4=N)nc13)-c1ccccc1C2=O	ZINC000587099075	EG	Annotated	Anodyne	
C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccccc1C(F)(F)F	ZINC000587099212	EG	Annotated	Reactive	
C[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccccc1C(F)(F)F	ZINC000587099213	EG	Annotated	Reactive	
Cc1ccc2c3c(c(CC(=O)O)c(C(=O)O)nc13)-c1ccccc1C2=O	ZINC000587100462	EG	Annotated	Anodyne	
Cc1ccc2c3c(c(CC=O)c(C(=O)O)nc13)-c1ccccc1C2=O	ZINC000587102237	EG	Annotated	Mild	
Cc1ccc2c3c(cc(CS(C)(=O)=O)nc13)-c1ccccc1C2=O	ZINC000587102890	EG	Annotated	Anodyne	
NC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587102917	EG	Annotated	Anodyne	
NC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587102920	EG	Annotated	Anodyne	
Cc1ccc2c3c(c4c(nc13)CS(=O)(=O)CC4)-c1ccccc1C2=O	ZINC000587102966	EG	Annotated	Anodyne	
CC(=O)N(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)=O	ZINC000587104013	EG	Annotated	Anodyne	
CC(=O)N[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587104039	EG	Annotated	Anodyne	
CC(=O)N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587104041	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CCn3cncn3)nc3cccc1c23	ZINC000587104326	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(CN3C(=O)CCC3=O)nc3cccc1c23	ZINC000587104698	EG	Annotated	Anodyne	
Cn1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1N	ZINC000587104731	EG	Annotated	Anodyne	
CN(C)/C=C1\C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O	ZINC000587104962	EG	Annotated	Mild	
CN(C)/C=C1/C(=O)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O	ZINC000587104963	EG	Annotated	Mild	
Cc1c(Cn2cncn2)nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587105016	EG	Annotated	Anodyne	
C/C(=C\c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCCO	ZINC000587105028	EG	Annotated	Anodyne	
C/C(=C/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCCO	ZINC000587105030	EG	Annotated	Anodyne	
CC(=O)N1CCc2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O	ZINC000587105094	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](C[N+](=O)[O-])C3	ZINC000587105124	EG	Annotated	Bother	
O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](C[N+](=O)[O-])C3	ZINC000587105125	EG	Annotated	Bother	
O=C1c2ccccc2-c2cc(CN3CCOCC3)nc3cccc1c23	ZINC000587105559	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@@H]3CCCNC3=O)nc3cccc1c23	ZINC000587105604	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc([C@H]3CCCNC3=O)nc3cccc1c23	ZINC000587105605	EG	Annotated	Anodyne	
COC(=O)[C@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587105606	EG	Annotated	Anodyne	
COC(=O)[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587105607	EG	Annotated	Anodyne	
CCOC(=O)C(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587105615	EG	Annotated	Anodyne	
CN1CCN(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC1	ZINC000587105796	EG	Annotated	Anodyne	
COC(=O)[C@@H](OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587106085	EG	Annotated	Anodyne	
COC(=O)[C@H](OC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587106088	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(Cc3ccccc3C(F)(F)F)nc12	ZINC000587106375	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3cnc(O)nc3O)nc3cccc1c23	ZINC000587106775	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cn1	ZINC000587106975	EG	Annotated	Anodyne	
CC(=O)OC(=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O	ZINC000587107080	EG	Annotated	Reactive	
O=C1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2CN1	ZINC000587107200	EG	Annotated	Anodyne	
O=C1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@@H]2CN1	ZINC000587107204	EG	Annotated	Anodyne	
O=C1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2CN1	ZINC000587107205	EG	Annotated	Anodyne	
O=C1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C[C@H]2CN1	ZINC000587107206	EG	Annotated	Anodyne	
FC(F)(F)c1ccccc1Cc1nc2ccc(-n3cnnn3)cc2[nH]1	ZINC000587107586	EG	Annotated	Anodyne	
COCCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587107719	EG	Annotated	Anodyne	
CCOC(=O)C(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587107728	EG	Annotated	Anodyne	
COC(=O)[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587107802	EG	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O	ZINC000587107804	EG	Annotated	Anodyne	
FC(F)(F)c1cccnc1-c1nc2c(S)nc(S)nc2[nH]1	ZINC000587108013	EG	Annotated	Anodyne	
FC(F)(F)c1cccnc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587108097	EG	Annotated	Anodyne	
O=C1c2ccccc2-c2cc(-c3c[nH]c(=O)cn3)nc3cccc1c23	ZINC000587108101	EG	Annotated	Anodyne	
O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2nc(Cl)c[nH]c-2n1	ZINC000587108144	EG	Annotated	Anodyne	
O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@H]2CN1)-c1ccccc1C5=O	ZINC000587108189	EG	Annotated	Anodyne	
O=C1C[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O	ZINC000587108190	EG	Annotated	Anodyne	
O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2CN1)-c1ccccc1C5=O	ZINC000587108192	EG	Annotated	Anodyne	
O=C1C[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2CN1)-c1ccccc1C5=O	ZINC000587108194	EG	Annotated	Anodyne	
COc1cncc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12	ZINC000587108582	EG	Annotated	Anodyne	
O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2nc(Cl)c[nH]c-2n1	ZINC000587108677	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2n1	ZINC000587108744	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc12	ZINC000587109319	EG	Annotated	Bother	
N=c1[nH]c2nc(-c3ccc(C(F)(F)F)cc3F)nc-2c(Cl)[nH]1	ZINC000587109365	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12	ZINC000587109389	EG	Annotated	Anodyne	
FC(F)(F)c1ncc2nc(-c3ncccc3C(F)(F)F)nc-2[nH]1	ZINC000587109517	EG	Annotated	Anodyne	
O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Cl)ncnc2[nH]1	ZINC000587109673	EG	Annotated	Anodyne	
Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1	ZINC000587109749	EG	Annotated	Anodyne	
COc1nccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12	ZINC000587109918	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccnc(O)c2[nH]1	ZINC000587110294	EG	Annotated	Bother	
CN(C)C(=O)c1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1	ZINC000587111245	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12	ZINC000587111703	EG	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccnc2[nH]1	ZINC000587111789	EG	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cccnc2[nH]1	ZINC000587111792	EG	Annotated	Anodyne	
Oc1nncc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12	ZINC000587111795	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(Cl)ncnc2[nH]1	ZINC000587111969	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CO)cc2[nH]1	ZINC000587111972	EG	Annotated	Anodyne	
Cn1cc(-c2nc3nc(Br)c[nH]c-3n2)c(C(F)(F)F)c1	ZINC000587112397	EG	Annotated	Anodyne	
COc1cncc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12	ZINC000587113049	EG	Annotated	Anodyne	
COc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cn1	ZINC000587113141	EG	Annotated	Anodyne	
Cn1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1	ZINC000587113174	EG	Annotated	Anodyne	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnccc2[nH]1	ZINC000587113253	EG	Annotated	Anodyne	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cnccc2[nH]1	ZINC000587113255	EG	Annotated	Anodyne	
Cn1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C(F)(F)F)c1	ZINC000587113268	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12	ZINC000587113275	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(CCO)cc2[nH]1	ZINC000587113536	EG	Annotated	Anodyne	
Cn1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C(F)(F)F)c1	ZINC000587113595	EG	Annotated	Anodyne	
FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccccc4[nH]3)n2)cc1	ZINC000587113927	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Cl)c[nH]c-2n1	ZINC000587114087	EG	Annotated	Anodyne	
FC(F)(F)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1	ZINC000587114164	EG	Annotated	Anodyne	
C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1	ZINC000587114300	EG	Annotated	Anodyne	
C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2c(O)nc(O)nc2[nH]1	ZINC000587114304	EG	Annotated	Anodyne	
COc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2n1	ZINC000587114573	EG	Annotated	Anodyne	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(Cl)[nH]c-2n1	ZINC000587114654	EG	Annotated	Anodyne	
COc1nccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12	ZINC000587114890	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1	ZINC000587114993	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1F	ZINC000587115149	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12	ZINC000587115180	EG	Annotated	Anodyne	
FC(F)(F)c1cncc(-c2nc3c(S)nc(S)nc3[nH]2)c1	ZINC000587115223	EG	Annotated	Anodyne	
FC(F)(F)c1cncc(-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587115422	EG	Annotated	Anodyne	
Cn1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C(F)(F)F)c1	ZINC000587115586	EG	Annotated	Anodyne	
FC(F)(F)c1cncc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1	ZINC000587115623	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2c(Cl)ncnc2[nH]1	ZINC000587115783	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12	ZINC000587115827	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2nc(Cl)c[nH]c-2n1	ZINC000587115833	EG	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cncnc3[nH]2)c(Br)cn1	ZINC000587115942	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cnc(Cl)[nH]c-2n1	ZINC000587115976	EG	Annotated	Anodyne	
Nc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1N	ZINC000587116020	EG	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3ncc[nH]c-3n2)c(Br)cn1	ZINC000587116098	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12	ZINC000587116155	EG	Annotated	Anodyne	
COc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cn1	ZINC000587116282	EG	Annotated	Anodyne	
FC(F)(F)c1cc(-c2nc3cnncc3[nH]2)c(Br)cn1	ZINC000587116457	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000587116545	EG	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2cc1[N+](=O)[O-]	ZINC000587116648	EG	Annotated	Bother	
COc1cncc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12	ZINC000587116656	EG	Annotated	Anodyne	
COc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2n1	ZINC000587116787	EG	Annotated	Anodyne	
Cc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1	ZINC000587116935	EG	Annotated	Bother	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587117009	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2c(Br)ccnc2[nH]1	ZINC000587117069	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cnc2[nH]1	ZINC000587117114	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)ncc2[nH]1	ZINC000587117200	EG	Annotated	Anodyne	
Oc1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12	ZINC000587117213	EG	Annotated	Anodyne	
Fc1cnc(Cl)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12	ZINC000587117230	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1	ZINC000587117320	EG	Annotated	Anodyne	
Cc1cccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12	ZINC000587117365	EG	Annotated	Bother	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(CO)cc2[nH]1	ZINC000587117377	EG	Annotated	Anodyne	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccccc2[nH]1	ZINC000587117516	EG	Annotated	Bother	
Cc1cncc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12	ZINC000587117595	EG	Annotated	Anodyne	
Oc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1	ZINC000587117603	EG	Annotated	Anodyne	
Cc1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1[N+](=O)[O-]	ZINC000587117727	EG	Annotated	Bother	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3nc(Cl)c[nH]c-3n2)n1	ZINC000587117746	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cncc(Br)c2[nH]1	ZINC000587117768	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000587117772	EG	Annotated	Bother	
Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Br)nc2[nH]1	ZINC000587117778	EG	Annotated	Anodyne	
COc1nccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c12	ZINC000587117790	EG	Annotated	Anodyne	
COc1ccc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2n1	ZINC000587117934	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(CCO)cc2[nH]1	ZINC000587117947	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587118011	EG	Annotated	Anodyne	
FC(F)(F)c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cn1	ZINC000587118080	EG	Annotated	Anodyne	
Cc1cnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2c1	ZINC000587118088	EG	Annotated	Anodyne	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(F)c2[nH]1	ZINC000587118122	EG	Annotated	Bother	
Cc1nccc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12	ZINC000587118338	EG	Annotated	Anodyne	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(F)cc2[nH]1	ZINC000587118345	EG	Annotated	Bother	
Cn1nc(C(F)(F)F)cc1-c1nc2ccnc(Br)c2[nH]1	ZINC000587118365	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1F	ZINC000587118522	EG	Annotated	Bother	
Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587118536	EG	Annotated	Anodyne	
COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1OC	ZINC000587118548	EG	Annotated	Anodyne	
Cc1ccnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12	ZINC000587118575	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1	ZINC000587118637	EG	Annotated	Anodyne	
COc1nccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	ZINC000587118733	EG	Annotated	Anodyne	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3cnc(Cl)[nH]c-3n2)n1	ZINC000587118769	EG	Annotated	Anodyne	
FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)ncnc3[nH]2)n1	ZINC000587118799	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12	ZINC000587118852	EG	Annotated	Anodyne	
COc1cncc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	ZINC000587118863	EG	Annotated	Anodyne	
FC(F)(F)c1ccn(Cc2cc(-c3nc4ccccc4[nH]3)no2)n1	ZINC000587118941	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1	ZINC000587119077	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	ZINC000587119104	EG	Annotated	Anodyne	
Cn1nc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587119166	EG	Annotated	Anodyne	
COc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cn1	ZINC000587119187	EG	Annotated	Anodyne	
Oc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1	ZINC000587119244	EG	Annotated	Anodyne	
Fc1cnc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1	ZINC000587119303	EG	Annotated	Anodyne	
FC(F)(F)c1cnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1	ZINC000587119318	EG	Annotated	Anodyne	
COc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1F	ZINC000587119332	EG	Annotated	Anodyne	
Fc1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c(F)c1F	ZINC000587119550	EG	Annotated	Anodyne	
OCc1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1	ZINC000587119743	EG	Annotated	Anodyne	
Oc1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587119790	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1	ZINC000587119881	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12	ZINC000587120047	EG	Annotated	Anodyne	
Cc1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1	ZINC000587120049	EG	Annotated	Anodyne	
Fc1cnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1	ZINC000587120320	EG	Annotated	Anodyne	
Cc1cncc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	ZINC000587120327	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc12	ZINC000587120328	EG	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1	ZINC000587120366	EG	Annotated	Bother	
Nc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1N	ZINC000587120381	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12	ZINC000587120666	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12	ZINC000587120828	EG	Annotated	Bother	
N#Cc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1C#N	ZINC000587122012	EG	Annotated	Mild	
FC(F)COc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)n1	ZINC000587122067	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc2c1	ZINC000587122167	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc2c1	ZINC000587122173	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc2c1	ZINC000587122175	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc2c1	ZINC000587122177	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1	ZINC000587122340	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1	ZINC000587122341	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2n1	ZINC000587122342	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2n1	ZINC000587122343	EG	Annotated	Anodyne	
CCCOc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br	ZINC000587122523	EG	Annotated	Anodyne	
CCCOc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br	ZINC000587122524	EG	Annotated	Anodyne	
CCCOc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br	ZINC000587122525	EG	Annotated	Anodyne	
CCCOc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br	ZINC000587122526	EG	Annotated	Anodyne	
FC(F)(F)OCc1nc2ccc(I)cc2[nH]1	ZINC000587122653	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1F	ZINC000587122688	EG	Annotated	Bother	
FC(F)(F)OCc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587122727	EG	Annotated	Anodyne	
COc1cc(OC)c2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1	ZINC000587123408	EG	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1	ZINC000587123707	EG	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1	ZINC000587123709	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1	ZINC000587123710	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(O)cc4[nH]3)cc2N1	ZINC000587123712	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)nc-2[nH]1	ZINC000587123767	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)nc-2[nH]1	ZINC000587123781	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12	ZINC000587123907	EG	Annotated	Anodyne	
O=C(O)c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1F	ZINC000587124352	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1	ZINC000587124538	EG	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1	ZINC000587124542	EG	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1	ZINC000587124543	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)cnc4[nH]3)cc2N1	ZINC000587124544	EG	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(COC(F)(F)F)[nH]c12	ZINC000587124625	EG	Annotated	Bother	
O=[N+]([O-])c1cc(Br)cc2nc(COC(F)(F)F)[nH]c12	ZINC000587124769	EG	Annotated	Bother	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)[C@@H](C)F)[nH]c3c2)cc1	ZINC000587124936	EG	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H](N)[C@H](C)F)[nH]c3c2)cc1	ZINC000587124947	EG	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)[C@H](C)F)[nH]c3c2)cc1	ZINC000587124949	EG	Annotated	Anodyne	
COC(=O)c1ccc(Oc2ccc3nc([C@H](N)[C@@H](C)F)[nH]c3c2)cc1	ZINC000587124951	EG	Annotated	Anodyne	
O=C(O)c1cc(Br)cc2nc(COC(F)(F)F)[nH]c12	ZINC000587125074	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(COC(F)(F)F)[nH]c21	ZINC000587125307	EG	Annotated	Clean	
O=C(O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1	ZINC000587125413	EG	Annotated	Anodyne	
OC1(c2nc3cc4c(cc3[nH]2)OCO4)CCC(C(F)(F)F)CC1	ZINC000587125495	EG	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Br	ZINC000587125567	EG	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Br	ZINC000587125573	EG	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Br	ZINC000587125574	EG	Annotated	Anodyne	
CC(C)Oc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Br	ZINC000587125575	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc12	ZINC000587125646	EG	Annotated	Mild	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1	ZINC000587125706	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1	ZINC000587125710	EG	Annotated	Anodyne	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1	ZINC000587125713	EG	Annotated	Anodyne	
Fc1cnc(Cl)c2nc(-c3cccc(OCC(F)F)n3)[nH]c12	ZINC000587125715	EG	Annotated	Anodyne	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(O)c4[nH]3)cc2N1	ZINC000587125716	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12	ZINC000587125755	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12	ZINC000587125756	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12	ZINC000587125757	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12	ZINC000587125758	EG	Annotated	Anodyne	
OCCc1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1	ZINC000587125993	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12	ZINC000587126013	EG	Annotated	Mild	
Cc1nccc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12	ZINC000587126096	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12	ZINC000587126097	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12	ZINC000587126098	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12	ZINC000587126099	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)nc12	ZINC000587126140	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)nc12	ZINC000587126141	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)nc12	ZINC000587126142	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)nc12	ZINC000587126143	EG	Annotated	Anodyne	
FC(F)(F)OCc1nc2cccc(I)c2[nH]1	ZINC000587126475	EG	Annotated	Anodyne	
FC(F)(F)OCc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587126491	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12	ZINC000587126702	EG	Annotated	Anodyne	
N#Cc1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1C#N	ZINC000587126732	EG	Annotated	Mild	
COc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1OC	ZINC000587126821	EG	Annotated	Anodyne	
FC(F)COc1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)n1	ZINC000587126822	EG	Annotated	Anodyne	
FC(F)COc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1	ZINC000587126832	EG	Annotated	Anodyne	
Oc1nc2cc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3cc2[nH]1	ZINC000587126839	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1	ZINC000587126911	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1	ZINC000587126977	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1	ZINC000587126979	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1	ZINC000587127015	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12	ZINC000587127073	EG	Annotated	Bother	
OC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCC(C(F)(F)F)CC1	ZINC000587127111	EG	Annotated	Anodyne	
Nc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1N	ZINC000587127175	EG	Annotated	Anodyne	
COc1nccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12	ZINC000587127234	EG	Annotated	Anodyne	
COc1cncc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12	ZINC000587127324	EG	Annotated	Anodyne	
COc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cn1	ZINC000587127428	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2cc1F	ZINC000587127442	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1	ZINC000587127473	EG	Annotated	Bother	
OCc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1	ZINC000587127532	EG	Annotated	Anodyne	
Oc1nccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12	ZINC000587127583	EG	Annotated	Anodyne	
O=S(=O)(c1ncccc1-c1nc2cc(F)ccc2[nH]1)C(F)(F)F	ZINC000587127587	EG	Annotated	Anodyne	
COc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2n1	ZINC000587127618	EG	Annotated	Anodyne	
Cc1cc(Br)cc2nc(-c3nnn(C)c3C(F)F)[nH]c12	ZINC000587127918	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)nc-2[nH]1	ZINC000587127936	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cc(Br)cc(F)c3[nH]2)c1C(F)F	ZINC000587127977	EG	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1	ZINC000587128089	EG	Annotated	Mild	
Cn1nnc(-c2nc3ccc(F)c(Br)c3[nH]2)c1C(F)F	ZINC000587128170	EG	Annotated	Anodyne	
Cc1c(Br)ccc2nc(-c3nnn(C)c3C(F)F)[nH]c12	ZINC000587128176	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cccc(Br)c3[nH]2)c1C(F)F	ZINC000587128177	EG	Annotated	Anodyne	
Fc1cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c(F)c1F	ZINC000587128208	EG	Annotated	Anodyne	
CC(C)(C)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2n1	ZINC000587128264	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3ccc(Br)c(F)c3[nH]2)c1C(F)F	ZINC000587128288	EG	Annotated	Anodyne	
CSc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1	ZINC000587128312	EG	Annotated	Anodyne	
FC(F)c1c(-c2nc3ccc4ncccc4c3[nH]2)cnc2ncnn12	ZINC000587128331	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C(F)F	ZINC000587128372	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cc(F)cc(Br)c3[nH]2)c1C(F)F	ZINC000587128396	EG	Annotated	Anodyne	
Fc1cc(Cl)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12	ZINC000587128425	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3ccc(Br)cc3[nH]2)c1C(F)F	ZINC000587128460	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1C(F)F	ZINC000587128474	EG	Annotated	Mild	
Cn1nnc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1C(F)F	ZINC000587128493	EG	Annotated	Anodyne	
CC(C)Oc1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1	ZINC000587128519	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C(F)F	ZINC000587128712	EG	Annotated	Anodyne	
FC(F)c1c(-c2nc3ccc4c(c3[nH]2)CCCC4)cnc2ncnn12	ZINC000587128789	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cc(Br)c(F)cc3[nH]2)c1C(F)F	ZINC000587128847	EG	Annotated	Anodyne	
FC(F)c1c(-c2nc3cnc4ccccc4c3[nH]2)cnc2ncnn12	ZINC000587128898	EG	Annotated	Anodyne	
Cc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1Br	ZINC000587129256	EG	Annotated	Anodyne	
Cc1cc(Br)c2[nH]c(-c3nnn(C)c3C(F)F)nc2c1	ZINC000587129266	EG	Annotated	Anodyne	
Fc1cc2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2cc1Cl	ZINC000587129389	EG	Annotated	Anodyne	
C=CCc1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12	ZINC000587129461	EG	Annotated	Mild	
CCOc1cc(/C=C/c2nc3cnnc(O)c3[nH]2)ccc1OC(F)F	ZINC000587129511	EG	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3cnnc(O)c3[nH]2)ccc1OC(F)F	ZINC000587129512	EG	Annotated	Anodyne	
Cn1nnc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C(F)F	ZINC000587129731	EG	Annotated	Anodyne	
O=C1CCc2cc3[nH]c(-c4cccc(OCC(F)F)n4)nc3cc2N1	ZINC000587129900	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3ccc(Cl)nc3[nH]2)CC(F)(F)C1	ZINC000587130361	EG	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3c(N)ncnc3[nH]2)ccc1OC(F)F	ZINC000587130397	EG	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3c(N)ncnc3[nH]2)ccc1OC(F)F	ZINC000587130399	EG	Annotated	Anodyne	
FC(F)Oc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587130447	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3c(Cl)ccnc3[nH]2)CC(F)(F)C1	ZINC000587130506	EG	Annotated	Anodyne	
Cc1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1[N+](=O)[O-]	ZINC000587130519	EG	Annotated	Bother	
CC(C)OC(=O)C1(c2nc3cc(Cl)ncc3[nH]2)CC(F)(F)C1	ZINC000587130758	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cncc(Cl)c3[nH]2)CC(F)(F)C1	ZINC000587130981	EG	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3ncc[nH]c-3n2)ccc1OC(F)F	ZINC000587131031	EG	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3ncc[nH]c-3n2)ccc1OC(F)F	ZINC000587131032	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3ccnc(Cl)c3[nH]2)CC(F)(F)C1	ZINC000587131084	EG	Annotated	Anodyne	
FC(F)Oc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587131088	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cc(Cl)cnc3[nH]2)CC(F)(F)C1	ZINC000587131136	EG	Annotated	Anodyne	
CCOc1cc(/C=C/c2nc3c(O)ncnc3[nH]2)ccc1OC(F)F	ZINC000587131179	EG	Annotated	Anodyne	
CCOc1cc(/C=C\c2nc3c(O)ncnc3[nH]2)ccc1OC(F)F	ZINC000587131180	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3ccc(F)c(F)c3[nH]2)CC(F)(F)C1	ZINC000587131253	EG	Annotated	Anodyne	
NNC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1	ZINC000587131425	EG	Annotated	Reactive	
COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1F	ZINC000587131477	EG	Annotated	Anodyne	
Oc1nc(S)nc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc12	ZINC000587131543	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC(F)(F)C1	ZINC000587131546	EG	Annotated	Bother	
CC(C)OC(=O)C1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC(F)(F)C1	ZINC000587131549	EG	Annotated	Bother	
CC(C)OC(=O)C1(c2nc3c(F)cnc(Cl)c3[nH]2)CC(F)(F)C1	ZINC000587131558	EG	Annotated	Anodyne	
COc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1C	ZINC000587131575	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cc4cn[nH]c4cc3[nH]2)CC(F)(F)C1	ZINC000587131576	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(C#N)c3[nH]2)C(F)(F)C1	ZINC000587131646	EG	Annotated	Mild	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(C#N)c3[nH]2)C(F)(F)C1	ZINC000587131648	EG	Annotated	Mild	
Cc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1	ZINC000587131767	EG	Annotated	Anodyne	
Cc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2n1	ZINC000587131769	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12	ZINC000587131867	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12	ZINC000587131868	EG	Annotated	Anodyne	
N=c1[nH]c2nc(C3CC(F)(c4cccc(F)c4)C3)nc-2c(Cl)[nH]1	ZINC000587131878	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cc(F)cc(F)c3[nH]2)CC(F)(F)C1	ZINC000587131920	EG	Annotated	Anodyne	
Cc1nccc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12	ZINC000587131954	EG	Annotated	Anodyne	
Cc1nccc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc12	ZINC000587131955	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(F)cnc3[nH]2)C(F)(F)C1	ZINC000587131965	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(F)cnc3[nH]2)C(F)(F)C1	ZINC000587131966	EG	Annotated	Anodyne	
CC(C)OC(=O)C1(c2nc3cc(F)c(F)cc3[nH]2)CC(F)(F)C1	ZINC000587131975	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1	ZINC000587131985	EG	Annotated	Anodyne	
Cc1cncc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12	ZINC000587132058	EG	Annotated	Anodyne	
Cc1cncc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c12	ZINC000587132059	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(C4(F)CCCCC4)[nH]c3c2)NNC(=O)C1	ZINC000587132115	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(O)cc3[nH]2)C(F)(F)C1	ZINC000587132177	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(O)cc3[nH]2)C(F)(F)C1	ZINC000587132178	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(O)c3[nH]2)C(F)(F)C1	ZINC000587132212	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(O)c3[nH]2)C(F)(F)C1	ZINC000587132213	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c1	ZINC000587132436	EG	Annotated	Anodyne	
N=c1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c[nH]1	ZINC000587132438	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cncc(Br)c3[nH]2)c1N	ZINC000587132441	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C#N)cc3[nH]2)C(F)(F)C1	ZINC000587132452	EG	Annotated	Mild	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C#N)cc3[nH]2)C(F)(F)C1	ZINC000587132453	EG	Annotated	Mild	
COc1c(F)ccc(-c2nc3cc(Br)ncc3[nH]2)c1N	ZINC000587132477	EG	Annotated	Anodyne	
Cc1cnc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1	ZINC000587132513	EG	Annotated	Anodyne	
Cc1cnc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2c1	ZINC000587132514	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1N	ZINC000587132592	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3c(F)ccc(F)c3OC)nc2cc1OC	ZINC000587132662	EG	Annotated	Anodyne	
COc1c(F)ccc(F)c1-c1nc2ccc(OCCN(C)C)cc2[nH]1	ZINC000587132666	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1N	ZINC000587132847	EG	Annotated	Anodyne	
Nc1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1N	ZINC000587132856	EG	Annotated	Anodyne	
COc1c(F)ccc(F)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587133025	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(F)c(OC)c3N)nc2c1	ZINC000587133261	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1N	ZINC000587133307	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2c1OC	ZINC000587133334	EG	Annotated	Anodyne	
COc1c(F)ccc(F)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587133336	EG	Annotated	Anodyne	
COc1c(F)ccc(F)c1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587133345	EG	Annotated	Anodyne	
Cc1c(F)cc(-c2nc3nc(Br)c[nH]c-3n2)cc1F	ZINC000587133432	EG	Annotated	Anodyne	
COc1c(F)ccc(F)c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587133449	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3ccc(Br)nc3[nH]2)c1N	ZINC000587133466	EG	Annotated	Anodyne	
O=C(c1nc2c(O)nccc2[nH]1)c1c(Cl)ccc(F)c1Cl	ZINC000587133494	EG	Annotated	Anodyne	
N=c1[nH]ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12	ZINC000587133616	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(Br)cnc3[nH]2)c1N	ZINC000587133620	EG	Annotated	Anodyne	
Nc1ccnc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12	ZINC000587133653	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1N	ZINC000587133692	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3ccnc(Br)c3[nH]2)c1N	ZINC000587133696	EG	Annotated	Anodyne	
COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cn1	ZINC000587133698	EG	Annotated	Anodyne	
N=c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c[nH]1	ZINC000587133703	EG	Annotated	Anodyne	
N=c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c[nH]1	ZINC000587133704	EG	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2c1	ZINC000587133754	EG	Annotated	Bother	
Nc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1N	ZINC000587133786	EG	Annotated	Anodyne	
COc1c(F)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1F	ZINC000587133860	EG	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2cc(Br)ncc2[nH]1	ZINC000587133896	EG	Annotated	Anodyne	
COc1cncc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	ZINC000587133910	EG	Annotated	Anodyne	
Fc1c(F)c(-c2nc3nc(Cl)c[nH]c-3n2)c(F)c(F)c1S	ZINC000587133915	EG	Annotated	Anodyne	
Fc1c(F)c(-c2nc3cnc(Cl)[nH]c-3n2)c(F)c(F)c1S	ZINC000587133916	EG	Annotated	Anodyne	
COc1nccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	ZINC000587133980	EG	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2cc(Br)cnc2[nH]1	ZINC000587134083	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12	ZINC000587134104	EG	Annotated	Bother	
COc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2n1	ZINC000587134174	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3ccnc(Br)c3[nH]2)cc1F	ZINC000587134240	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3cc(F)cc(F)c3O)nc2cc1OC	ZINC000587134370	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F	ZINC000587134428	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2c1OC	ZINC000587134516	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3cc(F)c(OC)c(F)c3)nc2cc1OC	ZINC000587134571	EG	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2ccc(Br)nc2[nH]1	ZINC000587134623	EG	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2ccnc(Br)c2[nH]1	ZINC000587134654	EG	Annotated	Anodyne	
COc1c(F)cc(-c2nc3nc(Br)c[nH]c-3n2)cc1F	ZINC000587134718	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1F	ZINC000587134731	EG	Annotated	Anodyne	
COc1c(F)cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F	ZINC000587134746	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1F	ZINC000587134829	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3ccc(Br)nc3[nH]2)cc1F	ZINC000587134830	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(Br)cnc3[nH]2)cc1F	ZINC000587134835	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cc1[N+](=O)[O-]	ZINC000587134889	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1OC	ZINC000587134932	EG	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2c(Br)ccnc2[nH]1	ZINC000587134969	EG	Annotated	Anodyne	
Oc1c(F)cc(F)cc1-c1nc2cncc(Br)c2[nH]1	ZINC000587134995	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cncc(Br)c3[nH]2)cc1F	ZINC000587135034	EG	Annotated	Anodyne	
COc1c(F)ccc(-c2nc3c(Br)ccnc3[nH]2)c1N	ZINC000587135083	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12	ZINC000587135127	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12	ZINC000587135129	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2c1	ZINC000587135176	EG	Annotated	Anodyne	
COc1c(F)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F	ZINC000587135296	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12	ZINC000587135320	EG	Annotated	Anodyne	
Nc1c(F)cc(-c2nc3cc(Br)ncc3[nH]2)cc1F	ZINC000587135321	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12	ZINC000587135322	EG	Annotated	Anodyne	
CNc1c(F)cccc1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1	ZINC000587135570	EG	Annotated	Anodyne	
CNc1c(F)cccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587135762	EG	Annotated	Bother	
Nc1cc(F)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1N	ZINC000587135836	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1	ZINC000587135948	EG	Annotated	Mild	
N#Cc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1C(F)(F)F	ZINC000587136000	EG	Annotated	Mild	
Nc1c(F)c(F)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1F	ZINC000587136063	EG	Annotated	Bother	
Nc1c(F)c(F)cc(-c2nc3cncc(Br)c3[nH]2)c1F	ZINC000587136106	EG	Annotated	Anodyne	
Nc1cc(F)c(-c2nc3ccc(Br)c(O)c3[nH]2)cc1N	ZINC000587136225	EG	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3cc(Br)cnc3[nH]2)c1F	ZINC000587136294	EG	Annotated	Anodyne	
Oc1nccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12	ZINC000587136322	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c12	ZINC000587136343	EG	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3ccc(O)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136370	EG	Annotated	Bother	
Cc1cc(N(C)Cc2nc3ccc(C#N)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136400	EG	Annotated	Mild	
CCOC(=O)Cc1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1	ZINC000587136429	EG	Annotated	Anodyne	
Nc1cc(F)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1N	ZINC000587136543	EG	Annotated	Anodyne	
CC(C)(C)Oc1cc(-c2nc3cc(N)c(N)cc3[nH]2)c(N)cc1F	ZINC000587136590	EG	Annotated	Anodyne	
N=c1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c[nH]1	ZINC000587136603	EG	Annotated	Anodyne	
Nc1cc(F)c(-c2nc3cc(F)cc(Br)c3[nH]2)cc1N	ZINC000587136651	EG	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3cccc(O)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136675	EG	Annotated	Bother	
Cc1cc(N(C)Cc2nc3cccc(C#N)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136713	EG	Annotated	Mild	
Cc1cc(N(C)Cc2nc3c(C)ccnc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136727	EG	Annotated	Bother	
Nc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1N	ZINC000587136780	EG	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3ccc(Br)nc3[nH]2)c1F	ZINC000587136818	EG	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1F	ZINC000587136826	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3cc(Br)c(F)cc3F)nc12	ZINC000587136856	EG	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3cncc(C)c3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136888	EG	Annotated	Bother	
Nc1c(F)c(F)cc(-c2nc3ccnc(Br)c3[nH]2)c1F	ZINC000587136898	EG	Annotated	Anodyne	
CC(C)(C)Oc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(N)cc1F	ZINC000587136903	EG	Annotated	Bother	
CC(C)(C)Oc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(N)cc1F	ZINC000587136909	EG	Annotated	Bother	
Cc1cc(N(C)Cc2nc3c(C)nccc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136966	EG	Annotated	Bother	
Cc1cc(N(C)Cc2nc3ccc(CO)cc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587136972	EG	Annotated	Bother	
Nc1c(F)c(F)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1F	ZINC000587137067	EG	Annotated	Anodyne	
Nc1cc(F)c(-c2nc3cc(Br)cc(F)c3[nH]2)cc1N	ZINC000587137158	EG	Annotated	Anodyne	
Cc1cc(N(C)Cc2nc3cc(F)cnc3[nH]2)c([N+](=O)[O-])cc1F	ZINC000587137169	EG	Annotated	Bother	
Cc1cnc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1	ZINC000587137213	EG	Annotated	Bother	
Nc1cc(F)c(-c2nc3cc(Br)c(F)cc3[nH]2)cc1N	ZINC000587137227	EG	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3c(Br)ccnc3[nH]2)c1F	ZINC000587137250	EG	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1F	ZINC000587137264	EG	Annotated	Anodyne	
Nc1c(F)c(F)cc(-c2nc3cc(Br)ncc3[nH]2)c1F	ZINC000587137314	EG	Annotated	Anodyne	
Cc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2n1	ZINC000587137342	EG	Annotated	Bother	
Nc1cc(F)c(-c2nc3ccc(Br)c(F)c3[nH]2)cc1N	ZINC000587137352	EG	Annotated	Anodyne	
Nc1cc(F)c(-c2nc3ccc(F)c(Br)c3[nH]2)cc1N	ZINC000587137388	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12	ZINC000587137715	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc12	ZINC000587138080	EG	Annotated	Anodyne	
Oc1nncc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12	ZINC000587138186	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1	ZINC000587138508	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1	ZINC000587138509	EG	Annotated	Anodyne	
Oc1nc2cc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3cc2[nH]1	ZINC000587138794	EG	Annotated	Anodyne	
Fc1cc(CCc2nc3c(S)nc(S)nc3[nH]2)cc(F)c1F	ZINC000587138800	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(CCc4cc(F)c(F)c(F)c4)nc3cc2N1	ZINC000587138849	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2c1	ZINC000587139164	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1F	ZINC000587139300	EG	Annotated	Bother	
Nc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1F	ZINC000587139696	EG	Annotated	Anodyne	
Nc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1F	ZINC000587139735	EG	Annotated	Anodyne	
CC(=O)c1ccc(-c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)ccc2F)cc1	ZINC000587139764	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1F	ZINC000587139868	EG	Annotated	Bother	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1	ZINC000587139892	EG	Annotated	Bother	
Cc1nc2[nH]c(-c3cc(CO)ccc3F)nc2cc1Br	ZINC000587139898	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)ncnc3[nH]2)c1F	ZINC000587139901	EG	Annotated	Bother	
N#Cc1cc(Br)c2[nH]c(-c3cc(CO)ccc3F)nc2c1	ZINC000587139948	EG	Annotated	Mild	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1F	ZINC000587140278	EG	Annotated	Bother	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(CCO)cc3[nH]2)c1F	ZINC000587140310	EG	Annotated	Bother	
Nc1ccc(F)c(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000587140616	EG	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000587140622	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(CO)ccc3F)nc2c1	ZINC000587140770	EG	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1	ZINC000587140901	EG	Annotated	Anodyne	
Nc1ccc(F)c(Cc2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000587141058	EG	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000587141061	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(-c3cc(CO)ccc3F)nc12	ZINC000587141131	EG	Annotated	Anodyne	
OCc1ccc(F)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	ZINC000587141228	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(Cc3cc(N)ccc3F)nc2c1	ZINC000587141264	EG	Annotated	Anodyne	
Fc1ccc(S)cc1-c1nc2nc(Br)c[nH]c-2n1	ZINC000587141363	EG	Annotated	Anodyne	
Cc1nc2[nH]c(Cc3cc(N)ccc3F)nc2cc1Br	ZINC000587141420	EG	Annotated	Anodyne	
Nc1ccc(F)c(Cc2nc3ccc(Br)c(O)c3[nH]2)c1	ZINC000587141423	EG	Annotated	Anodyne	
Nc1ccc(F)c(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	ZINC000587141652	EG	Annotated	Anodyne	
Fc1ccc(S)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587142571	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3cc(S)ccc3F)nc2cc1OC	ZINC000587142678	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(S)ccc3F)[nH]c2cc1[N+](=O)[O-]	ZINC000587142704	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1OC	ZINC000587142862	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(C#N)c(F)c3)[nH]c2c1OC	ZINC000587143399	EG	Annotated	Mild	
Cc1cnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc2c1	ZINC000587143721	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc2c1	ZINC000587143893	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)cc1F	ZINC000587144083	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2ccccc2-c2nc3cnncc3[nH]2)cc1F	ZINC000587144086	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12	ZINC000587144629	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12	ZINC000587144631	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2n1	ZINC000587144852	EG	Annotated	Anodyne	
Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F	ZINC000587144988	EG	Annotated	Anodyne	
Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1F	ZINC000587144992	EG	Annotated	Anodyne	
N=c1nc(O)c2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2[nH]1	ZINC000587145101	EG	Annotated	Anodyne	
Cc1cncc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c12	ZINC000587145299	EG	Annotated	Anodyne	
Cc1cncc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c12	ZINC000587145301	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12	ZINC000587145414	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12	ZINC000587145416	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cccnc2[nH]1)c1ccc(Br)cc1F	ZINC000587145438	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cccnc2[nH]1)c1ccc(Br)cc1F	ZINC000587145439	EG	Annotated	Anodyne	
N[C@H](Cc1nc2cnccc2[nH]1)c1ccc(Br)cc1F	ZINC000587145487	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cnccc2[nH]1)c1ccc(Br)cc1F	ZINC000587145488	EG	Annotated	Anodyne	
Cc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2n1	ZINC000587145515	EG	Annotated	Anodyne	
Cc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2n1	ZINC000587145517	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2n1	ZINC000587145565	EG	Annotated	Anodyne	
Fc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1F	ZINC000587146002	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(-c4ccc(C)cc4F)[nH]c3c2)NNC(=O)C1	ZINC000587146275	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)c[nH]c-2n1	ZINC000587147031	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(N)c(N)cc2[nH]1	ZINC000587147232	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(F)cc2[nH]1	ZINC000587147464	EG	Annotated	Anodyne	
O=C1C[C@@H](c2nc3ccc(O)cc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587147609	EG	Annotated	Anodyne	
O=C1C[C@H](c2nc3ccc(O)cc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587147612	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncnc(Cl)c2[nH]1	ZINC000587147677	EG	Annotated	Anodyne	
COc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2n1	ZINC000587147766	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Cl)ncc2[nH]1	ZINC000587147966	EG	Annotated	Anodyne	
O=C1C[C@@H](c2nc3ccc(F)cc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587148008	EG	Annotated	Anodyne	
O=C1C[C@H](c2nc3ccc(F)cc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587148009	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3ccnc(Br)c3[nH]2)c(F)c1	ZINC000587148120	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3c(Br)ccnc3[nH]2)c(F)c1	ZINC000587148124	EG	Annotated	Anodyne	
COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1OC	ZINC000587148136	EG	Annotated	Bother	
COc1cncc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12	ZINC000587148173	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(CO)ccc2[nH]1	ZINC000587148175	EG	Annotated	Anodyne	
Cc1nccc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12	ZINC000587148200	EG	Annotated	Anodyne	
Cc1nccc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12	ZINC000587148202	EG	Annotated	Anodyne	
COc1nccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12	ZINC000587148298	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(CCc3ccccc3F)[nH]c2c1OC	ZINC000587148311	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12	ZINC000587148320	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12	ZINC000587148321	EG	Annotated	Anodyne	
Cc1cnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1	ZINC000587148357	EG	Annotated	Anodyne	
Cc1cnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2c1	ZINC000587148360	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(Cc3ccc(OC)cc3F)nc2cc1OC	ZINC000587148423	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c(F)c1	ZINC000587148425	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(F)c1	ZINC000587148463	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12	ZINC000587148465	EG	Annotated	Bother	
Cc1ccnc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12	ZINC000587148579	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc12	ZINC000587148580	EG	Annotated	Anodyne	
O=C1C[C@@H](c2nc3cccc(F)c3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587148621	EG	Annotated	Anodyne	
O=C1C[C@H](c2nc3cccc(F)c3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587148623	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(OCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1F	ZINC000587148806	EG	Annotated	Bother	
N[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1F	ZINC000587148850	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1F	ZINC000587148855	EG	Annotated	Bother	
COc1ccc(Cc2nc3ccc(Br)nc3[nH]2)c(F)c1	ZINC000587148907	EG	Annotated	Anodyne	
Cc1cc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2cc1[N+](=O)[O-]	ZINC000587148935	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(OCc2nc3c(F)cnc(Cl)c3[nH]2)cc1F	ZINC000587148941	EG	Annotated	Bother	
N[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1F	ZINC000587148942	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1	ZINC000587148978	EG	Annotated	Bother	
N#Cc1nc(Cl)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12	ZINC000587148989	EG	Annotated	Mild	
Cc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1	ZINC000587148992	EG	Annotated	Anodyne	
Cc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1	ZINC000587148995	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(Cc3ccc(OC)cc3F)[nH]c2c1	ZINC000587149013	EG	Annotated	Anodyne	
N[C@H](c1nc2cc(Br)ncc2[nH]1)c1ccc(F)cc1F	ZINC000587149097	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)cc1F	ZINC000587149098	EG	Annotated	Bother	
O=[N+]([O-])c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1	ZINC000587149138	EG	Annotated	Bother	
CCOC(=O)c1ccc2nc(Cc3ccc(OC)cc3F)[nH]c2c1	ZINC000587149143	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1	ZINC000587149307	EG	Annotated	Anodyne	
N[C@H](c1nc2c(Br)ccnc2[nH]1)c1ccc(F)cc1F	ZINC000587149352	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c(F)c1	ZINC000587149422	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1	ZINC000587149463	EG	Annotated	Bother	
COc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(F)c1	ZINC000587149487	EG	Annotated	Bother	
COc1ccc(Cc2nc3cncc(Br)c3[nH]2)c(F)c1	ZINC000587149501	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(Br)ncc3[nH]2)c(F)c1	ZINC000587149541	EG	Annotated	Anodyne	
Cc1cncc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12	ZINC000587149615	EG	Annotated	Anodyne	
Cc1cncc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12	ZINC000587149616	EG	Annotated	Anodyne	
O=C1C[C@@H](c2nc3ccccc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587149631	EG	Annotated	Anodyne	
O=C1C[C@H](c2nc3ccccc3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587149632	EG	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F	ZINC000587149770	EG	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F	ZINC000587149771	EG	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F	ZINC000587149772	EG	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)c1F	ZINC000587149773	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(Br)cnc3[nH]2)c(F)c1	ZINC000587149925	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cc3ccc(OC)cc3F)[nH]c2c1OC	ZINC000587149983	EG	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587150060	EG	Annotated	Anodyne	
C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587150063	EG	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)c(F)c1)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587150127	EG	Annotated	Anodyne	
COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1F	ZINC000587150134	EG	Annotated	Bother	
C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587150135	EG	Annotated	Anodyne	
O=C1C[C@@H](c2nc3cccc(O)c3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587150266	EG	Annotated	Anodyne	
O=C1C[C@H](c2nc3cccc(O)c3[nH]2)CN1Cc1ccc(F)cc1F	ZINC000587150267	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@@H]4C[C@@H]4c4cccc(F)c4F)nc3cc2N1	ZINC000587150319	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H]4C[C@H]4c4cccc(F)c4F)nc3cc2N1	ZINC000587150321	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@@H]4C[C@H]4c4cccc(F)c4F)nc3cc2N1	ZINC000587150323	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c([C@H]4C[C@@H]4c4cccc(F)c4F)nc3cc2N1	ZINC000587150325	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc12	ZINC000587150387	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc12	ZINC000587150388	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc12	ZINC000587150389	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc12	ZINC000587150390	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12	ZINC000587150459	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12	ZINC000587150460	EG	Annotated	Anodyne	
Fc1ccccc1CCc1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587150469	EG	Annotated	Anodyne	
N[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)cc1F	ZINC000587150566	EG	Annotated	Anodyne	
N[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)cc1F	ZINC000587150609	EG	Annotated	Anodyne	
N[C@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1F	ZINC000587150625	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cn1	ZINC000587150689	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cn1	ZINC000587150691	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cn1	ZINC000587150694	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cn1	ZINC000587150697	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2cn1	ZINC000587151092	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2cn1	ZINC000587151094	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CCc3ccccc3F)[nH]c2cc1[N+](=O)[O-]	ZINC000587151263	EG	Annotated	Bother	
N[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1F	ZINC000587151289	EG	Annotated	Anodyne	
COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cn1	ZINC000587151346	EG	Annotated	Anodyne	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(O)nccc2[nH]1	ZINC000587151417	EG	Annotated	Anodyne	
N=c1[nH]cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)nc-2[nH]1	ZINC000587151484	EG	Annotated	Anodyne	
N=c1[nH]cc2nc([C@H](Nc3ccccc3)c3ccccc3F)nc-2[nH]1	ZINC000587151487	EG	Annotated	Anodyne	
Oc1nncc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12	ZINC000587151500	EG	Annotated	Anodyne	
Oc1nncc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12	ZINC000587151501	EG	Annotated	Anodyne	
N[C@H](c1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1F	ZINC000587151541	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c2n1	ZINC000587151542	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c2n1	ZINC000587151544	EG	Annotated	Anodyne	
N[C@H](c1nc2ccc(Br)nc2[nH]1)c1ccc(F)cc1F	ZINC000587151559	EG	Annotated	Anodyne	
N[C@H](c1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1F	ZINC000587152069	EG	Annotated	Anodyne	
N[C@H](c1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1F	ZINC000587152153	EG	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F	ZINC000587152269	EG	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F	ZINC000587152271	EG	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F	ZINC000587152273	EG	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@@H]2c2nc3c(S)nc(S)nc3[nH]2)c1F	ZINC000587152275	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H](C)Oc3ccc(F)c(F)c3)nc12	ZINC000587152377	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H](C)Oc3ccc(F)c(F)c3)nc12	ZINC000587152378	EG	Annotated	Anodyne	
COc1cc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1OC	ZINC000587153865	EG	Annotated	Anodyne	
COc1cc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1OC	ZINC000587153866	EG	Annotated	Anodyne	
COc1cc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2cc1OC	ZINC000587153867	EG	Annotated	Anodyne	
COc1cc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2cc1OC	ZINC000587153868	EG	Annotated	Anodyne	
Cn1nc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(F)c1O	ZINC000587154249	EG	Annotated	Anodyne	
Cc1c(Br)cc2nc(-c3nn(C)c(O)c3F)[nH]c2c1C	ZINC000587154261	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(Br)ncc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587154297	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(Br)ncc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587154298	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(Br)ncc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587154299	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(Br)ncc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587154301	EG	Annotated	Anodyne	
CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)ncc2[nH]1	ZINC000587154517	EG	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)ncc2[nH]1	ZINC000587154518	EG	Annotated	Anodyne	
Cn1nc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(F)c1O	ZINC000587154594	EG	Annotated	Clean	
Fc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)nc1Br	ZINC000587154651	EG	Annotated	Anodyne	
C[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587154656	EG	Annotated	Bother	
C[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587154659	EG	Annotated	Bother	
OCCc1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1	ZINC000587154690	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1C#N	ZINC000587154721	EG	Annotated	Mild	
CCCc1nc(-c2nc3c(O)nccc3[nH]2)nn1-c1ccccc1F	ZINC000587155024	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587155063	EG	Annotated	Bother	
N[C@@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587155070	EG	Annotated	Bother	
N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587155075	EG	Annotated	Bother	
N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587155081	EG	Annotated	Bother	
Cn1nc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1O	ZINC000587155086	EG	Annotated	Anodyne	
COc1cc(-c2nc3cccc(C#N)c3[nH]2)nn1-c1ccccc1F	ZINC000587155261	EG	Annotated	Mild	
Cn1nc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1O	ZINC000587155638	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)c(Br)n3)nc12	ZINC000587155725	EG	Annotated	Bother	
Fc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)nc1Br	ZINC000587155753	EG	Annotated	Anodyne	
CCCc1nc(-c2nc3ncc(F)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155825	EG	Annotated	Anodyne	
COc1cc(-c2nc3ccc(CO)cc3[nH]2)nn1-c1ccccc1F	ZINC000587155826	EG	Annotated	Anodyne	
Oc1nc2cc3[nH]c(-c4ccc(F)c(Br)n4)nc3cc2[nH]1	ZINC000587155846	EG	Annotated	Anodyne	
N[C@]1(c2nc3ccnc(Br)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156039	EG	Annotated	Anodyne	
N[C@@]1(c2nc3ccnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156040	EG	Annotated	Anodyne	
N[C@]1(c2nc3ccnc(Br)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156041	EG	Annotated	Anodyne	
N[C@@]1(c2nc3ccnc(Br)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156042	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156103	EG	Annotated	Bother	
C[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156104	EG	Annotated	Bother	
Cn1nc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1O	ZINC000587156195	EG	Annotated	Anodyne	
CC[C@H](Oc1ccccc1F)c1nc2ccc(-n3cnnn3)cc2[nH]1	ZINC000587156288	EG	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1F)c1nc2ccc(-n3cnnn3)cc2[nH]1	ZINC000587156289	EG	Annotated	Anodyne	
COc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)nn1-c1ccccc1F	ZINC000587156338	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H]1c1ccccc1F	ZINC000587156433	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H]1c1ccccc1F	ZINC000587156434	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@@H]1c1ccccc1F	ZINC000587156435	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)C[C@H]1c1ccccc1F	ZINC000587156437	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(Br)cnc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156440	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(Br)cnc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156441	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(Br)cnc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587156442	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(Br)cnc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587156444	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156462	EG	Annotated	Mild	
C[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156464	EG	Annotated	Mild	
C[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156482	EG	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(C(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156483	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]1c1ccccc1F	ZINC000587156485	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]1c1ccccc1F	ZINC000587156487	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@@H]1c1ccccc1F	ZINC000587156489	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)C[C@H]1c1ccccc1F	ZINC000587156491	EG	Annotated	Anodyne	
COc1cc(-c2nc3ccc(C#N)cc3[nH]2)nn1-c1ccccc1F	ZINC000587156510	EG	Annotated	Mild	
Cn1nc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1O	ZINC000587156548	EG	Annotated	Anodyne	
Cn1nc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(F)c1O	ZINC000587156552	EG	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1F)c1nc2c(C(=O)OC)ccnc2[nH]1	ZINC000587156604	EG	Annotated	Anodyne	
CC[C@H](Oc1ccccc1F)c1nc2c(C(=O)OC)ccnc2[nH]1	ZINC000587156605	EG	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(CCO)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156713	EG	Annotated	Anodyne	
C[C@]1(c2nc3ccc(CCO)cc3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587156720	EG	Annotated	Anodyne	
CC[C@@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)nc2[nH]1	ZINC000587156825	EG	Annotated	Anodyne	
CC[C@H](Oc1ccccc1F)c1nc2ccc(C(=O)OC)nc2[nH]1	ZINC000587156827	EG	Annotated	Anodyne	
OCCc1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1	ZINC000587156930	EG	Annotated	Anodyne	
Fc1cc(Br)cnc1-c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587156940	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1C#N	ZINC000587156948	EG	Annotated	Mild	
N[C@]1(c2nc3c(Br)ccnc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587157039	EG	Annotated	Anodyne	
N[C@@]1(c2nc3c(Br)ccnc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587157040	EG	Annotated	Anodyne	
N[C@]1(c2nc3c(Br)ccnc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587157041	EG	Annotated	Anodyne	
N[C@@]1(c2nc3c(Br)ccnc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587157042	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2cc1[N+](=O)[O-]	ZINC000587157051	EG	Annotated	Bother	
Cc1cc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2cc1[N+](=O)[O-]	ZINC000587157052	EG	Annotated	Bother	
Cc1cc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2cc1[N+](=O)[O-]	ZINC000587157053	EG	Annotated	Bother	
Cc1cc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2cc1[N+](=O)[O-]	ZINC000587157054	EG	Annotated	Bother	
CCOC(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1	ZINC000587157071	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1	ZINC000587157072	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1	ZINC000587157073	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1	ZINC000587157074	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc2c1	ZINC000587157293	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1	ZINC000587157294	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1	ZINC000587157295	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1	ZINC000587157296	EG	Annotated	Anodyne	
N[C@]1(c2nc3ccc(Br)nc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587157319	EG	Annotated	Anodyne	
N[C@@]1(c2nc3ccc(Br)nc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587157320	EG	Annotated	Anodyne	
N[C@]1(c2nc3ccc(Br)nc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587157321	EG	Annotated	Anodyne	
N[C@@]1(c2nc3ccc(Br)nc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587157322	EG	Annotated	Anodyne	
Fc1cc(Br)cnc1-c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587157401	EG	Annotated	Anodyne	
Oc1nc2cc3nc(-c4ncc(Br)cc4F)[nH]c3cc2[nH]1	ZINC000587157448	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12	ZINC000587157472	EG	Annotated	Anodyne	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnncc3[nH]2)c1	ZINC000587157623	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12	ZINC000587157741	EG	Annotated	Anodyne	
Nc1ncnc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12	ZINC000587157751	EG	Annotated	Anodyne	
O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)ncnc3[nH]2)cc1	ZINC000587157756	EG	Annotated	Anodyne	
N[C@]1(c2nc3cncc(Br)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587157835	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cncc(Br)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587157836	EG	Annotated	Anodyne	
N[C@]1(c2nc3cncc(Br)c3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587157837	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cncc(Br)c3[nH]2)C[C@H]1c1ccccc1F	ZINC000587157838	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1	ZINC000587157923	EG	Annotated	Bother	
Nc1ncnc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc12	ZINC000587158080	EG	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3C#N)nc2c1OC	ZINC000587158152	EG	Annotated	Mild	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ncc[nH]c-3n2)c1	ZINC000587158155	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1	ZINC000587158217	EG	Annotated	Bother	
COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1OC	ZINC000587158265	EG	Annotated	Bother	
C[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)C=C(c2ccccc2F)NO1	ZINC000587158275	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc4c(cc3[nH]2)OCO4)C=C(c2ccccc2F)NO1	ZINC000587158279	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(-c3ncc(Br)cc3F)[nH]c12	ZINC000587158285	EG	Annotated	Bother	
O=C(O)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1	ZINC000587158383	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(F)cnc(Cl)c2[nH]1	ZINC000587158385	EG	Annotated	Bother	
C[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587158428	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cccc(C(=O)O)c3[nH]2)C=C(c2ccccc2F)NO1	ZINC000587158431	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587158550	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587158554	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587158556	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587158558	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(-c3ccc(F)cc3C#N)[nH]c2cc1OC	ZINC000587158598	EG	Annotated	Mild	
O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(O)nncc3[nH]2)cc1	ZINC000587158630	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1	ZINC000587158734	EG	Annotated	Bother	
Cc1cc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2cc1[N+](=O)[O-]	ZINC000587158759	EG	Annotated	Bother	
O=[N+]([O-])c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1	ZINC000587158770	EG	Annotated	Bother	
N#Cc1cc(F)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587158944	EG	Annotated	Mild	
N[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587159116	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587159117	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@@H]1c1ccccc1F	ZINC000587159118	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)C[C@H]1c1ccccc1F	ZINC000587159119	EG	Annotated	Anodyne	
N=c1nc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c2c[nH]1	ZINC000587159275	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc([N+](=O)[O-])c2[nH]1	ZINC000587159559	EG	Annotated	Bother	
O=C(O)c1cc(F)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12	ZINC000587159564	EG	Annotated	Bother	
COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1F	ZINC000587159584	EG	Annotated	Bother	
Oc1nncc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12	ZINC000587159635	EG	Annotated	Anodyne	
O=C(O)c1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1F	ZINC000587159736	EG	Annotated	Bother	
N#Cc1nc(Cl)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12	ZINC000587159752	EG	Annotated	Mild	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587159796	EG	Annotated	Bother	
Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cncnc3[nH]2)c1	ZINC000587159967	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1	ZINC000587160004	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3cncc(Br)c3[nH]2)c1	ZINC000587160032	EG	Annotated	Bother	
COc1cccc(-c2cc(F)cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c2)c1	ZINC000587160042	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1OC	ZINC000587160073	EG	Annotated	Bother	
O=C1CCc2cc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3cc2N1	ZINC000587160173	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1	ZINC000587160203	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cnc3[nH]2)c1	ZINC000587160205	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)ncc3[nH]2)c1	ZINC000587160237	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3ccnc(Br)c3[nH]2)c1	ZINC000587160272	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)nc3[nH]2)c1	ZINC000587160508	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1	ZINC000587160656	EG	Annotated	Bother	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)ccnc3[nH]2)c1	ZINC000587160665	EG	Annotated	Bother	
Cc1ccnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12	ZINC000587160734	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2c1	ZINC000587160848	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12	ZINC000587160894	EG	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@H]2c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587161115	EG	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@@H]2c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587161116	EG	Annotated	Anodyne	
Fc1cccc([C@@H]2C[C@H]2c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587161117	EG	Annotated	Anodyne	
Fc1cccc([C@H]2C[C@@H]2c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587161118	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(-c3cc(F)cc(Br)c3)[nH]c12	ZINC000587161300	EG	Annotated	Bother	
Fc1cccc(Cn2nnc(-c3nc4cc(F)cnc4[nH]3)c2Cl)c1	ZINC000587161336	EG	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cccnc4[nH]3)c2Cl)c1	ZINC000587161430	EG	Annotated	Anodyne	
Cc1cncc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12	ZINC000587161466	EG	Annotated	Anodyne	
O=C(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(F)cc1	ZINC000587161682	EG	Annotated	Anodyne	
O=C(CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1cccc(F)c1	ZINC000587161727	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12	ZINC000587161808	EG	Annotated	Anodyne	
O=C(CCc1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1	ZINC000587161815	EG	Annotated	Anodyne	
O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(O)ncnc2[nH]1	ZINC000587161978	EG	Annotated	Anodyne	
O=C(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)Nc1cccc(F)c1	ZINC000587162178	EG	Annotated	Anodyne	
Oc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1	ZINC000587162290	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1	ZINC000587162339	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1	ZINC000587162340	EG	Annotated	Anodyne	
O=C1CC=C(c2nc3ccc(F)cc3[nH]2)NN1Cc1ccc(F)cc1	ZINC000587162385	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587162460	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587162461	EG	Annotated	Anodyne	
O=C1CCc2cc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3cc2N1	ZINC000587162570	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587162851	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587162858	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587162861	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587162864	EG	Annotated	Anodyne	
O=C(CCc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)cc1	ZINC000587162884	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000587162894	EG	Annotated	Bother	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	ZINC000587162895	EG	Annotated	Bother	
Cc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1	ZINC000587162987	EG	Annotated	Anodyne	
Fc1cccc(Cn2nnc(-c3nc4cnccc4[nH]3)c2Cl)c1	ZINC000587163080	EG	Annotated	Anodyne	
Oc1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12	ZINC000587163081	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1	ZINC000587163143	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1	ZINC000587163144	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2c1	ZINC000587163186	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c12	ZINC000587163205	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c12	ZINC000587163207	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587163247	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587163251	EG	Annotated	Anodyne	
O=C(CCc1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccc(F)cc1	ZINC000587163320	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@H](c3ccc(F)cc3)N(C)C)nc2c1	ZINC000587163337	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@H](c3ccc(F)cc3)N(C)C)nc2c1	ZINC000587163339	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587163512	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587163513	EG	Annotated	Anodyne	
COc1cc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1OC	ZINC000587163522	EG	Annotated	Anodyne	
COc1cc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2cc1OC	ZINC000587163523	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c12	ZINC000587163664	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1	ZINC000587163945	EG	Annotated	Anodyne	
O=C(CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1	ZINC000587163948	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1	ZINC000587163949	EG	Annotated	Anodyne	
O=C(CCc1nc2cc3c(cc2[nH]1)OCCO3)Nc1cccc(F)c1	ZINC000587163953	EG	Annotated	Anodyne	
O=C(CCc1nc2c(F)cnc(Cl)c2[nH]1)Nc1cccc(F)c1	ZINC000587163960	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12	ZINC000587164019	EG	Annotated	Mild	
Cc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1	ZINC000587164217	EG	Annotated	Anodyne	
O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cnnc(O)c2[nH]1	ZINC000587164230	EG	Annotated	Anodyne	
Cc1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12	ZINC000587164254	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587164559	EG	Annotated	Mild	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587164560	EG	Annotated	Mild	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587164570	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587164571	EG	Annotated	Anodyne	
CN(C)[C@H](c1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587164593	EG	Annotated	Anodyne	
CN(C)[C@@H](c1ccc(F)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587164594	EG	Annotated	Anodyne	
O=C1CC=C(c2nc3cccc(F)c3[nH]2)NN1Cc1ccc(F)cc1	ZINC000587164617	EG	Annotated	Anodyne	
Fc1ccc(-c2cnn(Cc3nc4c(Cl)ncnc4[nH]3)c2)cc1	ZINC000587164800	EG	Annotated	Anodyne	
Fc1ccc(-c2cnn(Cc3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1	ZINC000587164820	EG	Annotated	Anodyne	
O=C(O)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1	ZINC000587164833	EG	Annotated	Anodyne	
OCCc1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1	ZINC000587165015	EG	Annotated	Anodyne	
Oc1nc2cc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3cc2[nH]1	ZINC000587165025	EG	Annotated	Anodyne	
Fc1ccc(-c2cnn(Cc3nc4cc5c(cc4[nH]3)OCO5)c2)cc1	ZINC000587165159	EG	Annotated	Anodyne	
O=C(O)c1cccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12	ZINC000587165164	EG	Annotated	Anodyne	
N#Cc1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1C#N	ZINC000587165192	EG	Annotated	Mild	
Fc1ccc(-c2cnn(Cc3nc4cnc(Cl)[nH]c-4n3)c2)cc1	ZINC000587165335	EG	Annotated	Anodyne	
N=c1nc(O)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2[nH]1	ZINC000587165372	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2n1	ZINC000587165493	EG	Annotated	Anodyne	
Fc1ccc(-c2cnn(Cc3nc4nc(Cl)c[nH]c-4n3)c2)cc1	ZINC000587165558	EG	Annotated	Anodyne	
O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(F)cc1	ZINC000587166230	EG	Annotated	Anodyne	
O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(F)cc1	ZINC000587166232	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c12	ZINC000587166916	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c12	ZINC000587166919	EG	Annotated	Mild	
O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCO3)Nc1ccc(F)cc1	ZINC000587166996	EG	Annotated	Anodyne	
O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCO3)Nc1ccc(F)cc1	ZINC000587166997	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1	ZINC000587167152	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c2c1	ZINC000587167153	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1	ZINC000587167154	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c2c1	ZINC000587167155	EG	Annotated	Anodyne	
O=C(/C=C/c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1	ZINC000587167195	EG	Annotated	Bother	
O=C(/C=C\c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1	ZINC000587167196	EG	Annotated	Bother	
Nc1ccnc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12	ZINC000587167224	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12	ZINC000587167225	EG	Annotated	Anodyne	
O=C(/C=C/c1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1ccc(F)cc1	ZINC000587167348	EG	Annotated	Anodyne	
O=C(/C=C\c1nc2cc(F)cc(C(=O)O)c2[nH]1)Nc1ccc(F)cc1	ZINC000587167349	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1OC	ZINC000587168386	EG	Annotated	Anodyne	
Fc1ccc(-n2nnc(-c3nc4cc(F)cnc4[nH]3)c2C2CC2)cc1	ZINC000587168619	EG	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587168987	EG	Annotated	Anodyne	
C[C@H](Oc1ccc(F)cc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587168988	EG	Annotated	Anodyne	
OCc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1	ZINC000587169212	EG	Annotated	Anodyne	
Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1C	ZINC000587169284	EG	Annotated	Anodyne	
Cc1ccc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc12	ZINC000587169417	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(COc3ccc(F)cc3)nc2cc1OC	ZINC000587169434	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(COc3ccc(F)cc3)[nH]c2cc1[N+](=O)[O-]	ZINC000587169737	EG	Annotated	Bother	
Cc1cc(C)c2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2c1	ZINC000587169757	EG	Annotated	Anodyne	
Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1C	ZINC000587169768	EG	Annotated	Anodyne	
COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1F	ZINC000587170508	EG	Annotated	Anodyne	
C[C@H](CSc1ccc(F)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	ZINC000587170592	EG	Annotated	Anodyne	
C[C@@H](CSc1ccc(F)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	ZINC000587170597	EG	Annotated	Anodyne	
C[C@H](CSc1ccc(F)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587170845	EG	Annotated	Mild	
C[C@@H](CSc1ccc(F)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587170850	EG	Annotated	Mild	
Fc1ccc(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1	ZINC000587170906	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1F	ZINC000587170924	EG	Annotated	Bother	
Cc1cc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2cc1[N+](=O)[O-]	ZINC000587171280	EG	Annotated	Bother	
N#Cc1nc(Cl)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12	ZINC000587171582	EG	Annotated	Mild	
COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1OC	ZINC000587171584	EG	Annotated	Anodyne	
Fc1cc2c(c(Cc3nc4c(F)cnc(Cl)c4[nH]3)c1)OCOC2	ZINC000587171611	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1	ZINC000587171618	EG	Annotated	Bother	
C[C@H](CSc1ccc(F)cc1)c1nc2c(O)nc(S)nc2[nH]1	ZINC000587171622	EG	Annotated	Anodyne	
C[C@@H](CSc1ccc(F)cc1)c1nc2c(O)nc(S)nc2[nH]1	ZINC000587171623	EG	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587171891	EG	Annotated	Anodyne	
C[C@]1(c2nc3ccc(Cl)nc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587171892	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12	ZINC000587171900	EG	Annotated	Bother	
C[C@@]1(c2nc3ccnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587171955	EG	Annotated	Anodyne	
C[C@]1(c2nc3ccnc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587171957	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1	ZINC000587172160	EG	Annotated	Anodyne	
CC(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1	ZINC000587172184	EG	Annotated	Anodyne	
COc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1C	ZINC000587172215	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172337	EG	Annotated	Anodyne	
C[C@]1(c2nc3cc(Cl)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172338	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172914	EG	Annotated	Anodyne	
C[C@]1(c2nc3cc(Cl)ncc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587172915	EG	Annotated	Anodyne	
C[C@@]1(c2nc3c(Cl)ccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173087	EG	Annotated	Anodyne	
C[C@]1(c2nc3c(Cl)ccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173088	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cncc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173123	EG	Annotated	Anodyne	
C[C@]1(c2nc3cncc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173124	EG	Annotated	Anodyne	
C[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)Cc2ccc(F)cc2C(=O)O1	ZINC000587173508	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc4c(cc3[nH]2)OCO4)Cc2ccc(F)cc2C(=O)O1	ZINC000587173509	EG	Annotated	Anodyne	
C[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173510	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cccc(C(=O)O)c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173511	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1	ZINC000587173518	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1	ZINC000587173519	EG	Annotated	Anodyne	
COc1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1	ZINC000587173596	EG	Annotated	Anodyne	
COc1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1	ZINC000587173597	EG	Annotated	Anodyne	
C[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173721	EG	Annotated	Anodyne	
C[C@@]1(c2nc3ccc(C(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173722	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c(C)n1	ZINC000587173735	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c(C)n1	ZINC000587173736	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1	ZINC000587173743	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1	ZINC000587173744	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1OC	ZINC000587173765	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1OC	ZINC000587173766	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173800	EG	Annotated	Bother	
C[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587173802	EG	Annotated	Bother	
Oc1nc(S)nc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc12	ZINC000587174283	EG	Annotated	Anodyne	
N#Cc1nc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2nc1C#N	ZINC000587174293	EG	Annotated	Mild	
COc1ncc(F)cc1-c1nc2c(Br)cc(C#N)cc2[nH]1	ZINC000587174490	EG	Annotated	Mild	
CN(C)C(=O)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1	ZINC000587174693	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1	ZINC000587174694	EG	Annotated	Anodyne	
COc1cccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12	ZINC000587174747	EG	Annotated	Anodyne	
COc1cccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12	ZINC000587174748	EG	Annotated	Anodyne	
COc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F	ZINC000587174755	EG	Annotated	Anodyne	
COc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1F	ZINC000587174759	EG	Annotated	Anodyne	
COc1ncc(F)cc1-c1nc2c(O)c(Br)ccc2[nH]1	ZINC000587174792	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1[N+](=O)[O-]	ZINC000587174947	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1[N+](=O)[O-]	ZINC000587174948	EG	Annotated	Bother	
C[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587175009	EG	Annotated	Bother	
C[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587175011	EG	Annotated	Bother	
Fc1cncc(Cl)c1Cc1nc2cc(Br)cnc2[nH]1	ZINC000587175250	EG	Annotated	Anodyne	
C[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587175266	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc4cn[nH]c4cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587175267	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1	ZINC000587175311	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2cc1OC	ZINC000587175361	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2cc1OC	ZINC000587175362	EG	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2cc(Br)ncc2[nH]1	ZINC000587175369	EG	Annotated	Anodyne	
C[C@@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587175479	EG	Annotated	Mild	
C[C@]1(c2nc3cc(C#N)c(C#N)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1	ZINC000587175486	EG	Annotated	Mild	
O=C1CCc2cc3nc(Cc4c(F)cncc4Cl)[nH]c3cc2N1	ZINC000587175565	EG	Annotated	Anodyne	
N=c1[nH]c2nc(-c3[nH]c4ccc(F)cc4c3Cl)nc-2c(Cl)[nH]1	ZINC000587175673	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1	ZINC000587175743	EG	Annotated	Anodyne	
Nc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cnc2c(F)cccc12	ZINC000587175765	EG	Annotated	Anodyne	
Fc1cccc2c(-c3nc4c(Br)nccc4[nH]3)n[nH]c12	ZINC000587175890	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12	ZINC000587175911	EG	Annotated	Anodyne	
Nc1c(-c2nc3cc4c(cc3[nH]2)OCCO4)cnc2c(F)cccc12	ZINC000587176008	EG	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2ccc(Br)nc2[nH]1	ZINC000587176069	EG	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2cncc(Br)c2[nH]1	ZINC000587176109	EG	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587176114	EG	Annotated	Anodyne	
COc1ncc(F)cc1-c1nc2nc(C)c(Br)cc2[nH]1	ZINC000587176131	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1OC	ZINC000587176134	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12	ZINC000587176198	EG	Annotated	Mild	
COc1ncc(F)cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587176432	EG	Annotated	Anodyne	
COc1ncc(F)cc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1	ZINC000587176443	EG	Annotated	Anodyne	
Fc1cccc2c(-c3nc4nc(Br)ccc4[nH]3)n[nH]c12	ZINC000587176461	EG	Annotated	Anodyne	
Fc1cccc2c(-c3nc4ncc(Br)cc4[nH]3)n[nH]c12	ZINC000587176481	EG	Annotated	Anodyne	
Nc1c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cnc2c(F)cccc12	ZINC000587176485	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2nc(-c3cc(F)cnc3OC)[nH]c2c1	ZINC000587176559	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1OC	ZINC000587176576	EG	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2ccnc(Br)c2[nH]1	ZINC000587176580	EG	Annotated	Anodyne	
COc1ncc(F)cc1-c1nc2c(Br)ncc(F)c2[nH]1	ZINC000587176595	EG	Annotated	Anodyne	
COc1ncc(F)cc1-c1nc2ncc(Br)c(C)c2[nH]1	ZINC000587176598	EG	Annotated	Anodyne	
Fc1cncc(Cl)c1Cc1nc2c(Br)ccnc2[nH]1	ZINC000587176641	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1	ZINC000587176676	EG	Annotated	Anodyne	
Nc1c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cnc2c(F)cccc12	ZINC000587176729	EG	Annotated	Anodyne	
Nc1c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cnc2c(F)cccc12	ZINC000587176731	EG	Annotated	Anodyne	
Nc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cnc2c(F)cccc12	ZINC000587176784	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1C#N	ZINC000587176806	EG	Annotated	Mild	
COC(=O)c1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1OC	ZINC000587176813	EG	Annotated	Anodyne	
Fc1cccc2c(-c3nc4nccc(Br)c4[nH]3)n[nH]c12	ZINC000587176900	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1	ZINC000587176959	EG	Annotated	Anodyne	
COC(=O)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1OC	ZINC000587176975	EG	Annotated	Anodyne	
Fc1cccc2c(-c3nc4cnc(Br)cc4[nH]3)n[nH]c12	ZINC000587177020	EG	Annotated	Anodyne	
Fc1cccc2c(-c3nc4c(Br)cncc4[nH]3)n[nH]c12	ZINC000587177041	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12	ZINC000587177153	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1	ZINC000587177154	EG	Annotated	Bother	
Fc1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc(N2CCCC2)n1	ZINC000587177178	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1C#N	ZINC000587177218	EG	Annotated	Mild	
COC(=O)c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12	ZINC000587177240	EG	Annotated	Anodyne	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cncc(F)c3)[nH]c12	ZINC000587177316	EG	Annotated	Bother	
O=[N+]([O-])c1cccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12	ZINC000587177351	EG	Annotated	Bother	
N#Cc1nc(Cl)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12	ZINC000587177352	EG	Annotated	Mild	
CN(C)CCOc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1	ZINC000587177384	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1[N+](=O)[O-]	ZINC000587177412	EG	Annotated	Bother	
Fc1cncc(-c2nc3cccc(I)c3[nH]2)c1	ZINC000587177482	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cncc(F)c3)[nH]c12	ZINC000587177484	EG	Annotated	Bother	
COc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1OC	ZINC000587177507	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1F	ZINC000587177554	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1OC	ZINC000587177647	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1	ZINC000587177655	EG	Annotated	Anodyne	
N[C@@H](N=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1	ZINC000587177680	EG	Annotated	Anodyne	
N[C@H](N=O)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1	ZINC000587177681	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1OC	ZINC000587177733	EG	Annotated	Anodyne	
Fc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc(N2CCCC2)n1	ZINC000587177754	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1C#N	ZINC000587177806	EG	Annotated	Mild	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(F)cnc3[nH]2)c1	ZINC000587177813	EG	Annotated	Unstable	
O=[N+]([O-])c1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1[N+](=O)[O-]	ZINC000587177822	EG	Annotated	Bother	
Fc1nc(Cl)ccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1	ZINC000587177860	EG	Annotated	Anodyne	
Oc1nc2cc3nc(-c4cc(Br)cnc4F)[nH]c3cc2[nH]1	ZINC000587177878	EG	Annotated	Anodyne	
Fc1ncc(Br)cc1-c1nc2cc3cn[nH]c3cc2[nH]1	ZINC000587177927	EG	Annotated	Anodyne	
OCCc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1	ZINC000587177978	EG	Annotated	Anodyne	
O=[N+]([O-])c1cccc2nc(-c3cc(Br)cnc3F)[nH]c12	ZINC000587178011	EG	Annotated	Bother	
O=[N+]([O-])c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1	ZINC000587178210	EG	Annotated	Bother	
Fc1ncc(Br)cc1-c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587178248	EG	Annotated	Anodyne	
Cc1ccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2n1	ZINC000587180046	EG	Annotated	Unstable	
Cc1cncc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	ZINC000587180779	EG	Annotated	Unstable	
Cc1nccc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12	ZINC000587180795	EG	Annotated	Unstable	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cccc(O)c3[nH]2)c1	ZINC000587181107	EG	Annotated	Unstable	
Cc1ccnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc12	ZINC000587181346	EG	Annotated	Unstable	
Cc1cnc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2c1	ZINC000587181451	EG	Annotated	Unstable	
Fc1ccc(I)cc1-c1nc2cccnc2[nH]1	ZINC000587182028	EG	Annotated	Anodyne	
Fc1ccc(I)cc1-c1nc2cnccc2[nH]1	ZINC000587182053	EG	Annotated	Anodyne	
Ic1cccc(/C=C\c2nc3cncnc3[nH]2)c1	ZINC000587183231	EG	Annotated	Anodyne	
Ic1cccc(/C=C/c2nc3cncnc3[nH]2)c1	ZINC000587183232	EG	Annotated	Anodyne	
Ic1cccc(/C=C\c2nc3ncc[nH]c-3n2)c1	ZINC000587183846	EG	Annotated	Anodyne	
Ic1cccc(/C=C/c2nc3ncc[nH]c-3n2)c1	ZINC000587183847	EG	Annotated	Anodyne	
N#Cc1cccc2nc(-c3cncc(I)c3)[nH]c12	ZINC000587184234	EG	Annotated	Mild	
Ic1cccc(/C=C\c2nc3cnncc3[nH]2)c1	ZINC000587184745	EG	Annotated	Anodyne	
Ic1cccc(/C=C/c2nc3cnncc3[nH]2)c1	ZINC000587184746	EG	Annotated	Anodyne	
Fc1cccc2nc(-c3cncc(I)c3)[nH]c12	ZINC000587185003	EG	Annotated	Anodyne	
N#Cc1ccc2nc(-c3cncc(I)c3)[nH]c2c1	ZINC000587185723	EG	Annotated	Mild	
COC(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1OC	ZINC000587186923	EG	Annotated	Reactive	
COC(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1OC	ZINC000587186924	EG	Annotated	Reactive	
N#Cc1cc(Br)c2[nH]c(-c3ccc(O)c(C#N)c3)nc2c1	ZINC000587187231	EG	Annotated	Mild	
Cc1ccc(/C=C(/C#N)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587187326	EG	Annotated	Reactive	
Cc1ccc(/C=C(\C#N)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587187329	EG	Annotated	Reactive	
COC(=O)c1cc2[nH]c(/C(C#N)=C\c3ccccc3)nc2cc1OC	ZINC000587187676	EG	Annotated	Reactive	
COC(=O)c1cc2[nH]c(/C(C#N)=C/c3ccccc3)nc2cc1OC	ZINC000587187678	EG	Annotated	Reactive	
N#Cc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1O	ZINC000587187704	EG	Annotated	Mild	
Cc1ccc(/C=C(\C#N)c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587187880	EG	Annotated	Reactive	
Cc1ccc(/C=C(/C#N)c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587187881	EG	Annotated	Reactive	
N#C/C(=C/c1ccccc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587187901	EG	Annotated	Reactive	
N#C/C(=C\c1ccccc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587187902	EG	Annotated	Reactive	
C[C@H](C#N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587187904	EG	Annotated	Mild	
C[C@@H](C#N)c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587187906	EG	Annotated	Mild	
N#Cc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1O	ZINC000587188092	EG	Annotated	Mild	
N#Cc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1O	ZINC000587188207	EG	Annotated	Mild	
Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000587188227	EG	Annotated	Reactive	
Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000587188236	EG	Annotated	Reactive	
CC1=C(c2ccc3nc(-c4ccc(C)c(C#N)c4)[nH]c3c2)NNC(=O)C1	ZINC000587188541	EG	Annotated	Mild	
Cc1nc2[nH]c(-c3ccc(O)c(C#N)c3)nc2cc1Br	ZINC000587188576	EG	Annotated	Mild	
Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1	ZINC000587189040	EG	Annotated	Reactive	
Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1	ZINC000587189052	EG	Annotated	Reactive	
N#C/C(=C\c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587189174	EG	Annotated	Reactive	
N#C/C(=C/c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587189175	EG	Annotated	Reactive	
N#Cc1cc(O)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000587189305	EG	Annotated	Mild	
Fc1cnc(Br)c2nc(C=NOCc3ccccc3)[nH]c12	ZINC000587189367	EG	Annotated	Mild	
N#Cc1cc(O)cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c1	ZINC000587189378	EG	Annotated	Mild	
CCOC(=O)Cc1ccc2[nH]c(C=NOCc3ccccc3)nc2c1	ZINC000587189393	EG	Annotated	Mild	
Brc1cncc2[nH]c(C=NOCc3ccccc3)nc12	ZINC000587189471	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3cc(Br)cnc3[nH]2)cc1	ZINC000587189594	EG	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cncnc2[nH]1	ZINC000587189626	EG	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cncnc2[nH]1	ZINC000587189631	EG	Annotated	Anodyne	
N#Cc1ccc(OCc2nc3c(F)cnc(Br)c3[nH]2)cc1	ZINC000587189641	EG	Annotated	Mild	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(O)cc(C#N)c3)nc2c1	ZINC000587189802	EG	Annotated	Mild	
N#Cc1cc(O)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1	ZINC000587189891	EG	Annotated	Mild	
C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587189972	EG	Annotated	Mild	
Brc1cnc2nc(C=NOCc3ccccc3)[nH]c2c1	ZINC000587189976	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1	ZINC000587189979	EG	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587189983	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3c(Br)ccnc3[nH]2)cc1	ZINC000587190100	EG	Annotated	Mild	
CCOC(=O)Cc1ccc2nc(COc3ccc(C#N)cc3)[nH]c2c1	ZINC000587190205	EG	Annotated	Mild	
Brc1nccc2[nH]c(C=NOCc3ccccc3)nc12	ZINC000587190352	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3ccc(Br)nc3[nH]2)cc1	ZINC000587190534	EG	Annotated	Mild	
C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587190613	EG	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587190621	EG	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cnncc2[nH]1	ZINC000587190657	EG	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cnncc2[nH]1	ZINC000587190658	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(COc3ccc(C#N)cc3)nc2c1	ZINC000587190699	EG	Annotated	Mild	
Fc1cc2nc(C=NOCc3ccccc3)[nH]c2cc1-n1cccn1	ZINC000587190730	EG	Annotated	Mild	
Brc1ccnc2nc(C=NOCc3ccccc3)[nH]c12	ZINC000587190853	EG	Annotated	Mild	
FC1(F)Oc2cc3nc(C=NOCc4ccccc4)[nH]c3cc2O1	ZINC000587190883	EG	Annotated	Mild	
Brc1ccc2[nH]c(C=NOCc3ccccc3)nc2n1	ZINC000587190954	EG	Annotated	Mild	
C[C@@H](Oc1ccc(C#N)cc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587190958	EG	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587190966	EG	Annotated	Mild	
C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587190975	EG	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587190977	EG	Annotated	Mild	
N#Cc1cc(O)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000587191050	EG	Annotated	Mild	
Cc1nc2[nH]c(COc3ccc(C#N)cc3)nc2cc1Br	ZINC000587191212	EG	Annotated	Mild	
Brc1cc2[nH]c(C=NOCc3ccccc3)nc2cn1	ZINC000587191273	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3cc(Br)ncc3[nH]2)cc1	ZINC000587191313	EG	Annotated	Mild	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ncc[nH]c-2n1	ZINC000587191315	EG	Annotated	Anodyne	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ncc[nH]c-2n1	ZINC000587191323	EG	Annotated	Anodyne	
C[C@@H](Oc1ccc(C#N)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587191576	EG	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587191580	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3ccnc(Br)c3[nH]2)cc1	ZINC000587191724	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3cncc(Br)c3[nH]2)cc1	ZINC000587191752	EG	Annotated	Mild	
N#Cc1ccc(OCc2nc3ccc(Br)c(O)c3[nH]2)cc1	ZINC000587191785	EG	Annotated	Mild	
C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587192366	EG	Annotated	Mild	
C[C@H](Oc1ccc(C#N)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587192367	EG	Annotated	Mild	
Cc1nc2[nH]c(-c3cc(O)cc(C#N)c3)nc2cc1Br	ZINC000587192380	EG	Annotated	Mild	
CN(CCO)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1	ZINC000587192762	EG	Annotated	Clean	
CN(CCO)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1	ZINC000587192847	EG	Annotated	Clean	
CN(CCO)c1ccc(-c2nc3c(Cl)cc(C#N)cc3[nH]2)cc1	ZINC000587192856	EG	Annotated	Mild	
CN(CCO)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1	ZINC000587192899	EG	Annotated	Clean	
CN(CCO)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1	ZINC000587192987	EG	Annotated	Clean	
CN(CCO)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1	ZINC000587193031	EG	Annotated	Clean	
CN(CCO)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1	ZINC000587193228	EG	Annotated	Clean	
O=C(O)CCN(CCc1nc2cccc(F)c2[nH]1)Cc1ccccc1	ZINC000587193316	EG	Annotated	Anodyne	
O=C(O)CCN(CCc1nc2ccc(F)cc2[nH]1)Cc1ccccc1	ZINC000587193414	EG	Annotated	Anodyne	
Cc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1	ZINC000587193787	EG	Annotated	Anodyne	
Cc1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12	ZINC000587193976	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c(C)n1	ZINC000587194236	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@H](CCN(C)C)NC(=O)OC(C)(C)C)nc2c(C)n1	ZINC000587194237	EG	Annotated	Anodyne	
Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)c(C)c2[nH]1	ZINC000587194310	EG	Annotated	Anodyne	
Cc1nc(N(C)C)ncc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587194319	EG	Annotated	Mild	
Cc1cc(Br)c2[nH]c(-c3cnc(N(C)C)nc3C)nc2c1	ZINC000587194409	EG	Annotated	Anodyne	
Cc1nc(N(C)C)ncc1-c1nc2cccc(Br)c2[nH]1	ZINC000587194485	EG	Annotated	Anodyne	
Cc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1Br	ZINC000587194524	EG	Annotated	Anodyne	
Cc1nc2nc(-c3ccc(N(C)C)cn3)[nH]c2cc1Br	ZINC000587194527	EG	Annotated	Anodyne	
Cc1nc(N(C)C)ncc1-c1nc2cc(Br)cc(C)c2[nH]1	ZINC000587194717	EG	Annotated	Anodyne	
Cc1nc(N(C)C)ncc1-c1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587194719	EG	Annotated	Anodyne	
CN(C)c1ccc(-c2nc3c(Br)cc(C#N)cc3[nH]2)nc1	ZINC000587194721	EG	Annotated	Mild	
CN(C)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nc1	ZINC000587194775	EG	Annotated	Anodyne	
C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587195057	EG	Annotated	Anodyne	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587195060	EG	Annotated	Anodyne	
Nc1ncnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12	ZINC000587195238	EG	Annotated	Anodyne	
CN(C)c1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)nc1	ZINC000587195270	EG	Annotated	Anodyne	
CN(C)c1ncccc1-c1nc2c(Br)cc(C#N)cc2[nH]1	ZINC000587195423	EG	Annotated	Mild	
Cc1nc(N(C)C)ncc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587195451	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2nc(-c3cccnc3N(C)C)[nH]c2c1	ZINC000587195540	EG	Annotated	Anodyne	
Cc1nc(N(C)C)ncc1-c1nc2ccc(Br)cc2[nH]1	ZINC000587195599	EG	Annotated	Anodyne	
CN(C)c1ncccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587195608	EG	Annotated	Anodyne	
Cc1nc2nc(-c3cccnc3N(C)C)[nH]c2cc1Br	ZINC000587195956	EG	Annotated	Anodyne	
C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1	ZINC000587196056	EG	Annotated	Anodyne	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1	ZINC000587196057	EG	Annotated	Anodyne	
C[C@H](c1ccc(N(C)C)cc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587196070	EG	Annotated	Anodyne	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2nc(Br)c[nH]c-2n1	ZINC000587196072	EG	Annotated	Anodyne	
CN(C)c1ncccc1-c1nc2c(O)c(Br)ccc2[nH]1	ZINC000587196167	EG	Annotated	Anodyne	
C[C@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587196321	EG	Annotated	Anodyne	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587196328	EG	Annotated	Anodyne	
Oc1ncnc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc12	ZINC000587196339	EG	Annotated	Anodyne	
C[C@H](c1ccc(N(C)C)cc1)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587196543	EG	Annotated	Anodyne	
C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(S)nc(S)nc2[nH]1	ZINC000587196544	EG	Annotated	Anodyne	
Oc1nncc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12	ZINC000587196776	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2ccc(O)cc2[nH]1)C[C@H]1CCCO1	ZINC000587196784	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2ccc(O)cc2[nH]1)C[C@@H]1CCCO1	ZINC000587196785	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12	ZINC000587196822	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12	ZINC000587196824	EG	Annotated	Anodyne	
CN(C)C(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587197103	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2ccccc2[nH]1)C[C@H]1CCCO1	ZINC000587197114	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2ccccc2[nH]1)C[C@@H]1CCCO1	ZINC000587197115	EG	Annotated	Anodyne	
Cc1cncc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12	ZINC000587197192	EG	Annotated	Anodyne	
Cc1cncc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12	ZINC000587197193	EG	Annotated	Anodyne	
Cc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1	ZINC000587197223	EG	Annotated	Anodyne	
Cc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2n1	ZINC000587197224	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc12	ZINC000587197238	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc12	ZINC000587197239	EG	Annotated	Anodyne	
CC(C)[C@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587197565	EG	Annotated	Anodyne	
CC(C)[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587197609	EG	Annotated	Bother	
CC(C)(C)OC(=O)N(Cc1nc2cccc(O)c2[nH]1)C[C@H]1CCCO1	ZINC000587197641	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N(Cc1nc2cccc(O)c2[nH]1)C[C@@H]1CCCO1	ZINC000587197642	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1	ZINC000587197887	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2c1	ZINC000587197888	EG	Annotated	Anodyne	
CC(C)[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OC(C)(C)C	ZINC000587198069	EG	Annotated	Bother	
CC(C)[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C	ZINC000587198188	EG	Annotated	Bother	
CC(C)[C@@H](c1nc2ncc[nH]c-2n1)N(C)C(=O)OCc1ccccc1	ZINC000587198223	EG	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C	ZINC000587198286	EG	Annotated	Bother	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccnc2[nH]1	ZINC000587198400	EG	Annotated	Anodyne	
CC(C)[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C	ZINC000587198543	EG	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cccc(I)c2[nH]1)N(C)C	ZINC000587198549	EG	Annotated	Anodyne	
CC(C)[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C	ZINC000587198967	EG	Annotated	Anodyne	
CC(C)[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C	ZINC000587199128	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2n1	ZINC000587201138	EG	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587201159	EG	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587201200	EG	Annotated	Bother	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccnc(O)c2[nH]1	ZINC000587201205	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(N)c(N)cc2[nH]1	ZINC000587201445	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c2cn1	ZINC000587201479	EG	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1	ZINC000587201484	EG	Annotated	Bother	
COC(=O)c1ccnc2[nH]c(C(C)(C)Nc3ccc(OC)cc3)nc12	ZINC000587201851	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(N)ccnc2[nH]1	ZINC000587201877	EG	Annotated	Anodyne	
COc1ccc(NC(C)(C)c2nc3ccc(CCO)cc3[nH]2)cc1	ZINC000587201888	EG	Annotated	Anodyne	
C=C(NC(C)=O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000587202221	EG	Annotated	Anodyne	
C=C(NC(C)=O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	ZINC000587202285	EG	Annotated	Anodyne	
C=C(NC(C)=O)c1nc2cc(OCCC)c(Br)cc2[nH]1	ZINC000587202806	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccnc3[nH]2)c1	ZINC000587202948	EG	Annotated	Anodyne	
C=C(NC(C)=O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1	ZINC000587203364	EG	Annotated	Anodyne	
C=C(NC(C)=O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	ZINC000587203946	EG	Annotated	Anodyne	
C=C(NC(C)=O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	ZINC000587204023	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cnccc3[nH]2)c1	ZINC000587204609	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(C)cc1	ZINC000587205437	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(C)cc1	ZINC000587205440	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(N)c(N)cc2[nH]1)C(C)(C)C	ZINC000587205558	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(N)c(N)cc2[nH]1)C(C)(C)C	ZINC000587205560	EG	Annotated	Anodyne	
CC(=O)Cc1nc2cccc3c2c(c1CC(=O)O)-c1ccccc1C3=O	ZINC000587205655	EG	Annotated	Anodyne	
COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cn1	ZINC000587206083	EG	Annotated	Anodyne	
COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cn1	ZINC000587206085	EG	Annotated	Anodyne	
COc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1F	ZINC000587206386	EG	Annotated	Anodyne	
COc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1F	ZINC000587206389	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(C)cc1	ZINC000587206582	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(C)cc1	ZINC000587206589	EG	Annotated	Anodyne	
O=C(O)CCC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587206745	EG	Annotated	Anodyne	
O=C(O)CCc1c(C(=O)O)nc2cccc3c2c1-c1ccccc1C3=O	ZINC000587206750	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(C)cc1	ZINC000587206801	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(C)cc1	ZINC000587206803	EG	Annotated	Anodyne	
O=C1Cc2nc3cccc4c3c(c2[C@@H](C(=O)O)C1)-c1ccccc1C4=O	ZINC000587207343	EG	Annotated	Anodyne	
O=C1Cc2nc3cccc4c3c(c2[C@H](C(=O)O)C1)-c1ccccc1C4=O	ZINC000587207345	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587207372	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587207373	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587207393	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587207394	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(C)cc1	ZINC000587207429	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(C)cc1	ZINC000587207430	EG	Annotated	Anodyne	
CS(=O)(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O	ZINC000587208643	EG	Annotated	Anodyne	
CS(=O)(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O	ZINC000587208646	EG	Annotated	Anodyne	
CCS(=O)(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	ZINC000587208910	EG	Annotated	Anodyne	
O=C(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)Br	ZINC000587209022	EG	Annotated	Anodyne	
Cn1ccnc1[C@@](O)(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)F	ZINC000587210205	EG	Annotated	Anodyne	
Cn1ccnc1[C@](O)(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)F	ZINC000587210206	EG	Annotated	Anodyne	
NC(=O)Cn1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21	ZINC000587210433	EG	Annotated	Anodyne	
O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1cc2c3c(cccc3n1)CC2	ZINC000587210716	EG	Annotated	Clean	
O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1cc2c3c(cccc3n1)CC2	ZINC000587210719	EG	Annotated	Clean	
Cc1nc2cccc3c2c(c1CCOc1ccccc1C(N)=O)CC3	ZINC000587211153	EG	Annotated	Anodyne	
Cc1nc2cccc3c2c(c1CCN1C(=O)c2ccccc2C1=O)CC3	ZINC000587211178	EG	Annotated	Anodyne	
N=c1nc2c(c[nH]1)-c1nc3cccc4c3c(c1[C@@H](c1ccco1)C2)CC4	ZINC000587211263	EG	Annotated	Anodyne	
N=c1nc2c(c[nH]1)-c1nc3cccc4c3c(c1[C@H](c1ccco1)C2)CC4	ZINC000587211266	EG	Annotated	Anodyne	
Cc1c(-c2cc3c4c(cccc4n2)CC3)cnc2cc(C(=O)O)nn12	ZINC000587211312	EG	Annotated	Anodyne	
CCOC(=O)CC[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)CC2	ZINC000587211320	EG	Annotated	Anodyne	
CCOC(=O)CC[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)CC2	ZINC000587211322	EG	Annotated	Anodyne	
Nc1ccc(N2CCOCC2)cc1-c1cc2c3c(cccc3n1)CC2	ZINC000587211343	EG	Annotated	Anodyne	
CCOC(=O)C[C@H](Cc1cc2c3c(cccc3n1)CC2)C(=O)OCC	ZINC000587211420	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H](Cc1cc2c3c(cccc3n1)CC2)C(=O)OCC	ZINC000587211421	EG	Annotated	Anodyne	
C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3	ZINC000587211476	EG	Annotated	Anodyne	
C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3	ZINC000587211478	EG	Annotated	Anodyne	
C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3	ZINC000587211480	EG	Annotated	Anodyne	
C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)nc2cccc3c2c1CC3	ZINC000587211481	EG	Annotated	Anodyne	
C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cnc2cccc3c2c1CC3	ZINC000587211505	EG	Annotated	Anodyne	
O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1cccc([N+](=O)[O-])c1	ZINC000587211622	EG	Annotated	Bother	
O=C1Cc2c(nc3cccc4c3c2CC4)CCN1Cc1ccccc1	ZINC000587211709	EG	Annotated	Anodyne	
Cc1c(-c2cc3c4c(cccc4n2)CC3)cnc2c(C(=O)O)cnn12	ZINC000587211724	EG	Annotated	Anodyne	
O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc2nc(O)[nH]c2c1	ZINC000587211740	EG	Annotated	Anodyne	
CN1C(=O)[C@@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21	ZINC000587211827	EG	Annotated	Anodyne	
CN1C(=O)[C@H](c2cc3c4c(cccc4n2)CC3)C(=O)c2ccccc21	ZINC000587211830	EG	Annotated	Anodyne	
NC(=O)c1ccccc1OCCCc1cc2c3c(cccc3n1)CC2	ZINC000587211879	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3cccc4c3c(c21)CC4	ZINC000587211962	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3cccc4c3c(c21)CC4	ZINC000587211963	EG	Annotated	Anodyne	
CCOC(=O)C[C@H](C(=O)OCC)c1c(C)nc2cccc3c2c1CC3	ZINC000587211975	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)nc2cccc3c2c1CC3	ZINC000587211977	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1nc2cccc3c2c(c1CCC=O)CC3	ZINC000587212059	EG	Annotated	Mild	
O=CNc1ccccc1-c1nc2cccc3c2c(c1CC(=O)O)CC3	ZINC000587212112	EG	Annotated	Anodyne	
CN(C)C(=O)COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1	ZINC000587212625	EG	Annotated	Anodyne	
O=C1C=CC(=O)N1c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1	ZINC000587212681	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1CCc1cc2c3c(cccc3n1)CC2	ZINC000587212908	EG	Annotated	Anodyne	
COc1ccccc1CNC(=O)Cc1cc2c3c(cccc3n1)CC2	ZINC000587213133	EG	Annotated	Anodyne	
CCOC(=O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1CC3	ZINC000587213208	EG	Annotated	Anodyne	
CC(=O)Nc1ccc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)cc1	ZINC000587213267	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)N1CCc1cnc2cccc3c2c1CC3	ZINC000587213286	EG	Annotated	Anodyne	
O=C(O)C1=C[C@@H](c2cc3c4c(cccc4n2)CC3)N(c2ccccc2)N1	ZINC000587213369	EG	Annotated	Anodyne	
O=C(O)C1=C[C@H](c2cc3c4c(cccc4n2)CC3)N(c2ccccc2)N1	ZINC000587213370	EG	Annotated	Anodyne	
Nc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCOCC1	ZINC000587213373	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCC(=O)CCc1cnc2cccc3c2c1CC3	ZINC000587213967	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c(O)c1	ZINC000587214212	EG	Annotated	Anodyne	
O[C@]1(c2ccc3c(c2)OCO3)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587215388	EG	Annotated	Anodyne	
O[C@@]1(c2ccc3c(c2)OCO3)CCc2nc3cccc4c3c(c2C1)CC4	ZINC000587215390	EG	Annotated	Anodyne	
O=C(O)Cc1c(CC(=O)c2ccccc2)nc2cccc3c2c1CC3	ZINC000587215901	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc3c(c2)OCCO3)nc2cccc3c2c1CC3	ZINC000587216263	EG	Annotated	Anodyne	
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)CC4	ZINC000587216602	EG	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)CC4	ZINC000587216603	EG	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3cccc4c3c(c12)CC4	ZINC000587216604	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(C)cc1	ZINC000587216670	EG	Annotated	Anodyne	
CC(=O)N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(C)cc1	ZINC000587216671	EG	Annotated	Anodyne	
Cc1cc(C)c(S(N)(=O)=O)cc1-c1cc2c3c(cccc3n1)CC2	ZINC000587216687	EG	Annotated	Anodyne	
COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1S(C)(=O)=O	ZINC000587216704	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)CC3)c1	ZINC000587216771	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1	ZINC000587217213	EG	Annotated	Bother	
CC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1	ZINC000587217214	EG	Annotated	Bother	
CC(=O)N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587217433	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(C)cc1	ZINC000587217437	EG	Annotated	Anodyne	
NS(=O)(=O)c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Cl	ZINC000587217551	EG	Annotated	Anodyne	
CC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	ZINC000587217591	EG	Annotated	Bother	
CC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	ZINC000587217592	EG	Annotated	Bother	
CN(C)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1	ZINC000587217822	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587220488	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587220491	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587220498	EG	Annotated	Mild	
CN[C@H](c1cccnc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587220509	EG	Annotated	Mild	
Nc1ccnc2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12	ZINC000587220888	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12	ZINC000587220890	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587222493	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2ccc(F)c(Br)c2[nH]1	ZINC000587222497	EG	Annotated	Anodyne	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc3ncccc3c2[nH]1	ZINC000587223262	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc3ncccc3c2[nH]1	ZINC000587223276	EG	Annotated	Anodyne	
CSc1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2c1	ZINC000587223285	EG	Annotated	Anodyne	
CSc1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2c1	ZINC000587223290	EG	Annotated	Anodyne	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cnc3ccccc3c2[nH]1	ZINC000587223382	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2cnc3ccccc3c2[nH]1	ZINC000587223384	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587223411	EG	Annotated	Bother	
CN[C@H](c1cccnc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587223412	EG	Annotated	Bother	
CN[C@H](c1cccnc1)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587223493	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(F)cc(Br)c2[nH]1	ZINC000587223494	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(C)c2[nH]1	ZINC000587223676	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2cc(Br)cc(C)c2[nH]1	ZINC000587223677	EG	Annotated	Anodyne	
Cc1c(F)ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12	ZINC000587223731	EG	Annotated	Anodyne	
Cc1c(F)ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12	ZINC000587223732	EG	Annotated	Anodyne	
CCOC(=O)CNc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1	ZINC000587223835	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587224163	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587224164	EG	Annotated	Anodyne	
Cc1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cc1F	ZINC000587224395	EG	Annotated	Anodyne	
Cc1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cc1F	ZINC000587224398	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(C)c(Br)cc2[nH]1	ZINC000587224909	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2cc(C)c(Br)cc2[nH]1	ZINC000587224912	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2cc[nH]c(=N)c2[nH]1)C1CCCC1	ZINC000587224920	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2cc[nH]c(=N)c2[nH]1)C1CCCC1	ZINC000587224922	EG	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1	ZINC000587224935	EG	Annotated	Anodyne	
Cc1cc(F)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2c1	ZINC000587224937	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587225045	EG	Annotated	Bother	
CN[C@H](c1cccnc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587225048	EG	Annotated	Bother	
CC(C)(C)OC(=O)N[C@H](c1nc2cc(N)c(N)cc2[nH]1)C1CCCC1	ZINC000587225267	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2cc(N)c(N)cc2[nH]1)C1CCCC1	ZINC000587225269	EG	Annotated	Anodyne	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(Cl)c2[nH]1	ZINC000587225315	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(Cl)c2[nH]1	ZINC000587225317	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2ccc(Br)c(C)c2[nH]1	ZINC000587225323	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2ccc(Br)c(C)c2[nH]1	ZINC000587225326	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(F)c2[nH]1	ZINC000587225353	EG	Annotated	Anodyne	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)cc(F)c2[nH]1	ZINC000587225354	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587225376	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(Br)c(F)cc2[nH]1	ZINC000587225378	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc12	ZINC000587225392	EG	Annotated	Anodyne	
Cc1cnc(Cl)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc12	ZINC000587225398	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2ccnc(O)c2[nH]1)C1CCCC1	ZINC000587225584	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2ccnc(O)c2[nH]1)C1CCCC1	ZINC000587225585	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(F)cc2[nH]1	ZINC000587225793	EG	Annotated	Anodyne	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Cl)c(F)cc2[nH]1	ZINC000587225794	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587225860	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2ccc(Br)c(F)c2[nH]1	ZINC000587225861	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2cc(C)cc(Br)c2[nH]1	ZINC000587225906	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(C)cc(Br)c2[nH]1	ZINC000587225908	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2cc(=N)[nH]cc2[nH]1)C1CCCC1	ZINC000587225924	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2cc(=N)[nH]cc2[nH]1)C1CCCC1	ZINC000587225926	EG	Annotated	Anodyne	
CN[C@H](c1cccnc1)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587225980	EG	Annotated	Anodyne	
CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(F)c2[nH]1	ZINC000587225981	EG	Annotated	Anodyne	
O=C(N[C@@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)c1ccccc1	ZINC000587226006	EG	Annotated	Anodyne	
O=C(N[C@H](c1ccccc1)c1nc2ccnc(O)c2[nH]1)c1ccccc1	ZINC000587226008	EG	Annotated	Anodyne	
C=CCc1cccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c12	ZINC000587226142	EG	Annotated	Mild	
C=CCc1cccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c12	ZINC000587226146	EG	Annotated	Mild	
C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587226269	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587226272	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H](c1nc2c(N)ccnc2[nH]1)C1CCCC1	ZINC000587227201	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H](c1nc2c(N)ccnc2[nH]1)C1CCCC1	ZINC000587227202	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2ccc(CO)cc2[nH]1	ZINC000587228272	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587228312	EG	Annotated	Bother	
CCCCCCCC(=O)NCCCc1nc2nc(Cl)c[nH]c-2n1	ZINC000587228353	EG	Annotated	Mild	
O=C(NCCc1nc2c(F)cnc(Cl)c2[nH]1)OCc1ccccc1	ZINC000587228359	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2c(Cl)ncnc2[nH]1	ZINC000587228405	EG	Annotated	Anodyne	
COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cn1	ZINC000587228443	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cccc(C(N)=O)c2[nH]1	ZINC000587228648	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587228718	EG	Annotated	Bother	
CCCCCCCC(=O)NCCCc1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587228872	EG	Annotated	Mild	
COc1ccc(C)cc1NCCCc1nc2cnc(Cl)[nH]c-2n1	ZINC000587228884	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2ccnc(OC)c2[nH]1	ZINC000587228904	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2nc(Cl)c[nH]c-2n1	ZINC000587228920	EG	Annotated	Anodyne	
COc1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2n1	ZINC000587229072	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2ccc(CCO)cc2[nH]1	ZINC000587229174	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cncc(OC)c2[nH]1	ZINC000587229182	EG	Annotated	Anodyne	
COc1ccc(C)cc1NCCCc1nc2cc(N)c(N)cc2[nH]1	ZINC000587229321	EG	Annotated	Anodyne	
CCNC(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	ZINC000587230039	EG	Annotated	Anodyne	
CCNC(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1	ZINC000587230046	EG	Annotated	Anodyne	
CCc1ccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1	ZINC000587230126	EG	Annotated	Anodyne	
CCc1ccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2c1	ZINC000587230130	EG	Annotated	Anodyne	
CCc1ccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1	ZINC000587230132	EG	Annotated	Anodyne	
CCc1ccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2c1	ZINC000587230134	EG	Annotated	Anodyne	
CCNC(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1	ZINC000587230161	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(SC)cc2[nH]1	ZINC000587230527	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(SC)cc2[nH]1	ZINC000587230530	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(SC)cc2[nH]1	ZINC000587230532	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(SC)cc2[nH]1	ZINC000587230533	EG	Annotated	Anodyne	
N#Cc1cccnc1NCc1cccc(-c2nc3ccnc(O)c3[nH]2)c1	ZINC000587230544	EG	Annotated	Mild	
N#Cc1cccnc1NCc1cccc(-c2nc3c(N)ccnc3[nH]2)c1	ZINC000587230668	EG	Annotated	Mild	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(Cl)c2[nH]1	ZINC000587231123	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2[nH]1	ZINC000587231127	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(Cl)c2[nH]1	ZINC000587231129	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(Cl)c2[nH]1	ZINC000587231130	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)cc(F)c2[nH]1	ZINC000587231489	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)cc(F)c2[nH]1	ZINC000587231490	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)cc(F)c2[nH]1	ZINC000587231494	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)cc(F)c2[nH]1	ZINC000587231496	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)c(C)cc2[nH]1	ZINC000587231760	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)c(C)cc2[nH]1	ZINC000587231761	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)c(C)cc2[nH]1	ZINC000587231762	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)c(C)cc2[nH]1	ZINC000587231763	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)c(F)cc2[nH]1	ZINC000587231779	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)c(F)cc2[nH]1	ZINC000587231780	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)c(F)cc2[nH]1	ZINC000587231781	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)c(F)cc2[nH]1	ZINC000587231782	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(F)c(C)c2[nH]1	ZINC000587231802	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(F)c(C)c2[nH]1	ZINC000587231803	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(F)c(C)c2[nH]1	ZINC000587231804	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(F)c(C)c2[nH]1	ZINC000587231805	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C)c(C)c2[nH]1	ZINC000587232045	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C)c(C)c2[nH]1	ZINC000587232046	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C)c(C)c2[nH]1	ZINC000587232047	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C)c(C)c2[nH]1	ZINC000587232048	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12	ZINC000587232207	EG	Annotated	Bother	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C)cc(C)c2[nH]1	ZINC000587232245	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C)cc(C)c2[nH]1	ZINC000587232246	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C)cc(C)c2[nH]1	ZINC000587232247	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C)cc(C)c2[nH]1	ZINC000587232248	EG	Annotated	Anodyne	
C=CCc1cccc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c12	ZINC000587232444	EG	Annotated	Mild	
C=CCc1cccc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c12	ZINC000587232446	EG	Annotated	Mild	
C=CCc1cccc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c12	ZINC000587232447	EG	Annotated	Mild	
C=CCc1cccc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c12	ZINC000587232449	EG	Annotated	Mild	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C)ccc(C)c2[nH]1	ZINC000587232566	EG	Annotated	Anodyne	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C)ccc(C)c2[nH]1	ZINC000587232567	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C)ccc(C)c2[nH]1	ZINC000587232568	EG	Annotated	Anodyne	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(C)ccc(C)c2[nH]1	ZINC000587232569	EG	Annotated	Anodyne	
O=[N+]([O-])c1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1	ZINC000587232651	EG	Annotated	Bother	
Nc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1N	ZINC000587232688	EG	Annotated	Anodyne	
CNc1cccc(-c2cccc(-c3nc4c(O)nc(O)nc4[nH]3)c2)c1	ZINC000587232802	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587232822	EG	Annotated	Bother	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587232830	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587232882	EG	Annotated	Bother	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3	ZINC000587232883	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1	ZINC000587232914	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1	ZINC000587232964	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1	ZINC000587232967	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000587233007	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1	ZINC000587233055	EG	Annotated	Anodyne	
COc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cn1	ZINC000587233056	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1	ZINC000587233085	EG	Annotated	Anodyne	
COc1cncc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12	ZINC000587233103	EG	Annotated	Anodyne	
COc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cn1	ZINC000587233127	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587233133	EG	Annotated	Bother	
COc1cncc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12	ZINC000587233137	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587233148	EG	Annotated	Bother	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000587233304	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(CO)cc2[nH]1	ZINC000587233342	EG	Annotated	Anodyne	
COc1nccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c12	ZINC000587233495	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587233527	EG	Annotated	Anodyne	
COc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2n1	ZINC000587233534	EG	Annotated	Anodyne	
COc1nccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12	ZINC000587233545	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1	ZINC000587233618	EG	Annotated	Anodyne	
COc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2n1	ZINC000587233631	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3cccc(O)c3[nH]2)CCC(=O)CC1	ZINC000587233713	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(C3(NC(C)=O)CCC(C)CC3)nc2c1	ZINC000587233718	EG	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCC(C)CC1	ZINC000587233737	EG	Annotated	Bother	
Cc1cncc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12	ZINC000587233847	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1	ZINC000587233967	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1	ZINC000587234043	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1	ZINC000587234173	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1	ZINC000587234235	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1	ZINC000587234309	EG	Annotated	Anodyne	
Cc1ccnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12	ZINC000587234387	EG	Annotated	Anodyne	
Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2n1	ZINC000587234395	EG	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc(Cl)nc(C#N)c3[nH]2)CCC(C)CC1	ZINC000587234627	EG	Annotated	Mild	
CC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC(C)CC1	ZINC000587234734	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3ccccc3[nH]2)CCC(=O)CC1	ZINC000587234758	EG	Annotated	Anodyne	
Cc1cnc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2c1	ZINC000587234792	EG	Annotated	Anodyne	
COc1cc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2cc1OC	ZINC000587234813	EG	Annotated	Anodyne	
Cc1nccc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc12	ZINC000587234909	EG	Annotated	Anodyne	
CC(=O)NC1(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CCC(C)CC1	ZINC000587234957	EG	Annotated	Bother	
CC(C)(C)OC(=O)NC1(c2nc3ccc(O)cc3[nH]2)CCC(=O)CC1	ZINC000587234993	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(N)ccnc2[nH]1	ZINC000587235740	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(N)c(N)cc2[nH]1	ZINC000587235995	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccnc(O)c2[nH]1	ZINC000587236001	EG	Annotated	Anodyne	
Cc1ccc(NC2(c3nc4ccc(C(=O)NN)cc4[nH]3)CCCC2)cc1	ZINC000587237218	EG	Annotated	Reactive	
CC(C)(C)OC(=O)NC1(c2nc3cccc(F)c3[nH]2)CCC(O)CC1	ZINC000587237220	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3ccc(F)cc3[nH]2)CCC(O)CC1	ZINC000587237270	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC1(c2nc3ccccc3[nH]2)CCC(O)CC1	ZINC000587237485	EG	Annotated	Anodyne	
Cc1ccc(NC2(c3nc4nc(C#N)c(C#N)nc4[nH]3)CCCC2)cc1	ZINC000587237820	EG	Annotated	Mild	
Cc1cccc(NC(=O)Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1C	ZINC000587238518	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1C	ZINC000587238523	EG	Annotated	Bother	
Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587238602	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1C	ZINC000587238898	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1C	ZINC000587238977	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1C	ZINC000587238983	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1C	ZINC000587239001	EG	Annotated	Mild	
Cc1c(NC(N)=O)cccc1-c1nc2c(Br)ccnc2[nH]1	ZINC000587239062	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1	ZINC000587239243	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)OCCO4)c1C	ZINC000587239509	EG	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2ccc(Br)nc2[nH]1	ZINC000587239586	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1C	ZINC000587239592	EG	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cccc(NC(N)=O)c3C)nc2cc1[N+](=O)[O-]	ZINC000587239611	EG	Annotated	Bother	
COc1cc(OC)c2[nH]c(CC(=O)Nc3cccc(C)c3C)nc2c1	ZINC000587239629	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1	ZINC000587239720	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc(C#N)c(C#N)cc3[nH]2)c1C	ZINC000587239778	EG	Annotated	Mild	
Cc1c(NC(N)=O)cccc1-c1nc2cncc(Br)c2[nH]1	ZINC000587239790	EG	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587239791	EG	Annotated	Anodyne	
Cc1cccc(NC(=O)Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1C	ZINC000587239794	EG	Annotated	Anodyne	
Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c[nH]c(=N)[nH]c-3n2)c1	ZINC000587240176	EG	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2c(N)ncnc2[nH]1	ZINC000587240276	EG	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cnc2[nH]1	ZINC000587240300	EG	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587240325	EG	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587240546	EG	Annotated	Anodyne	
CCc1ccccc1NC(=O)c1nc2c(C#N)nc(Cl)cc2[nH]1	ZINC000587240612	EG	Annotated	Mild	
CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)CCC(=O)N3	ZINC000587240983	EG	Annotated	Anodyne	
CCc1ccccc1NC(=O)c1nc2nc(C(F)(F)F)ncc2[nH]1	ZINC000587241033	EG	Annotated	Anodyne	
Cc1c(NC(N)=O)cccc1-c1nc2ccnc(Br)c2[nH]1	ZINC000587241126	EG	Annotated	Anodyne	
CCc1ccccc1NC(=O)c1nc2c(C(=O)O)cc(F)cc2[nH]1	ZINC000587241167	EG	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2cnnc(O)c2[nH]1	ZINC000587241319	EG	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2c(O)ncnc2[nH]1	ZINC000587241333	EG	Annotated	Anodyne	
COc1ccccc1Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1	ZINC000587241351	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(=N)[nH]cc3[nH]2)c1	ZINC000587241466	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cnncc3[nH]2)c1	ZINC000587241537	EG	Annotated	Anodyne	
CCc1ccccc1NC(=O)c1nc2c(OC)cc(OC)cc2[nH]1	ZINC000587241543	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3ccnc(Br)c3[nH]2)c1	ZINC000587241843	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1	ZINC000587241847	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc[nH]c(=N)c3[nH]2)c1	ZINC000587241943	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cncnc3[nH]2)c1	ZINC000587241978	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3c(Br)ccnc3[nH]2)c1	ZINC000587242064	EG	Annotated	Anodyne	
Cc1nc2[nH]c(-c3cccc(NC(N)=O)c3)nc2cc1Br	ZINC000587242167	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	ZINC000587242474	EG	Annotated	Bother	
CC(=O)Nc1cccc(Cc2nc3cncc(Br)c3[nH]2)c1	ZINC000587242506	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1	ZINC000587242507	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3ccc(Br)nc3[nH]2)c1	ZINC000587242531	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(N)ccnc3[nH]2)c1	ZINC000587242547	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccnc(O)c3[nH]2)c1	ZINC000587242654	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1cccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1	ZINC000587242685	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ncc[nH]c-3n2)c1	ZINC000587242687	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1	ZINC000587242829	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)c1	ZINC000587242859	EG	Annotated	Mild	
O=C(/C=C\c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccccc1	ZINC000587243887	EG	Annotated	Anodyne	
O=C(/C=C/c1nc2cc3c(cc2[nH]1)NC(=O)CC3)Nc1ccccc1	ZINC000587243889	EG	Annotated	Anodyne	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3cncc(C)c3[nH]2)cc1	ZINC000587243958	EG	Annotated	Anodyne	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)ccnc3[nH]2)cc1	ZINC000587244370	EG	Annotated	Anodyne	
COc1nccc2nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c12	ZINC000587244400	EG	Annotated	Anodyne	
NCCOCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587245049	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(C(=O)O)c3[nH]2)cn1	ZINC000587245129	EG	Annotated	Anodyne	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)nccc3[nH]2)cc1	ZINC000587245344	EG	Annotated	Anodyne	
NCCOCCOCCc1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587245479	EG	Annotated	Bother	
O=C(/C=C/c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccccc1	ZINC000587245545	EG	Annotated	Anodyne	
O=C(/C=C\c1nc2cc3c(cc2[nH]1)OCCCO3)Nc1ccccc1	ZINC000587245547	EG	Annotated	Anodyne	
NCc1cccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1	ZINC000587245625	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3cccc(CN)c3)nc2c1	ZINC000587245627	EG	Annotated	Mild	
NCc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	ZINC000587246035	EG	Annotated	Bother	
NCc1cccc(-c2nc3ccc(I)cc3[nH]2)c1	ZINC000587246052	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3c(F)cnc(Cl)c3[nH]1)C2	ZINC000587246175	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3c(F)cnc(Cl)c3[nH]1)C2	ZINC000587246177	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(C)=O)cc3[nH]1)C2	ZINC000587246214	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(C)=O)cc3[nH]1)C2	ZINC000587246218	EG	Annotated	Anodyne	
NCc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	ZINC000587246320	EG	Annotated	Anodyne	
N[C@H]1CC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1	ZINC000587246449	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)c(F)c(F)c3[nH]1)C2	ZINC000587246512	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)c(F)c(F)c3[nH]1)C2	ZINC000587246520	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cn1	ZINC000587246565	EG	Annotated	Anodyne	
CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cnnc(O)c2[nH]1	ZINC000587246598	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1ccc(-c2nc3c(Cl)ncnc3[nH]2)cn1	ZINC000587246609	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(F)cc3[nH]1)C2	ZINC000587246621	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(F)cc3[nH]1)C2	ZINC000587246623	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(F)c(C)c3[nH]1)C2	ZINC000587246661	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(F)c(C)c3[nH]1)C2	ZINC000587246665	EG	Annotated	Anodyne	
N[C@H]1CC[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1	ZINC000587246857	EG	Annotated	Anodyne	
NCc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	ZINC000587246860	EG	Annotated	Bother	
NCc1cccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1	ZINC000587246864	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C)c(F)cc3[nH]1)C2	ZINC000587246880	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C)c(F)cc3[nH]1)C2	ZINC000587246884	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc4ncccc4c3[nH]1)C2	ZINC000587246920	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3ccc4ncccc4c3[nH]1)C2	ZINC000587246922	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C)cc(F)c3[nH]1)C2	ZINC000587246978	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C)cc(F)c3[nH]1)C2	ZINC000587246981	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(F)c(F)c3[nH]1)C2	ZINC000587246999	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(F)c(F)c3[nH]1)C2	ZINC000587247001	EG	Annotated	Anodyne	
NCc1cccc(-c2nc3cccc(I)c3[nH]2)c1	ZINC000587247168	EG	Annotated	Anodyne	
CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(N)ncnc2[nH]1	ZINC000587247184	EG	Annotated	Anodyne	
N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCOC1	ZINC000587247235	EG	Annotated	Anodyne	
N[C@@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCOC1	ZINC000587247236	EG	Annotated	Anodyne	
CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c[nH]c(=N)[nH]c-2n1	ZINC000587247414	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3c(C)cnc(Cl)c3[nH]1)C2	ZINC000587247421	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3c(C)cnc(Cl)c3[nH]1)C2	ZINC000587247422	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)cc(F)c3[nH]1)C2	ZINC000587247490	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)cc(F)c3[nH]1)C2	ZINC000587247492	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cnc4ccccc4c3[nH]1)C2	ZINC000587247642	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cnc4ccccc4c3[nH]1)C2	ZINC000587247643	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(OC)c(C)cc3[nH]1)C2	ZINC000587247677	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(OC)c(C)cc3[nH]1)C2	ZINC000587247678	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)c(F)cc3[nH]1)C2	ZINC000587247850	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)c(F)cc3[nH]1)C2	ZINC000587247851	EG	Annotated	Anodyne	
CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(O)ncnc2[nH]1	ZINC000587247904	EG	Annotated	Anodyne	
CC(C)(C)C(=O)Nc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cn1	ZINC000587247905	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1C(F)(F)F	ZINC000587248042	EG	Annotated	Mild	
Nc1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1C(=O)O	ZINC000587248053	EG	Annotated	Anodyne	
Nc1cccc(C(=O)O)c1-c1nc2cccc(Br)c2[nH]1	ZINC000587248084	EG	Annotated	Anodyne	
Nc1cccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1C(=O)O	ZINC000587248277	EG	Annotated	Anodyne	
Nc1cccc(C(=O)O)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1	ZINC000587248329	EG	Annotated	Anodyne	
N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCOC1	ZINC000587248402	EG	Annotated	Anodyne	
N[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCOC1	ZINC000587248403	EG	Annotated	Anodyne	
Nc1cccc(C(=O)O)c1-c1nc2ccc(Br)cc2[nH]1	ZINC000587248436	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cncc(Br)c3[nH]2)c1	ZINC000587248527	EG	Annotated	Anodyne	
Nc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C(=O)O	ZINC000587248543	EG	Annotated	Bother	
Cc1nc2[nH]c(-c3ccc(N)c(C#N)c3)nc2cc1Br	ZINC000587248666	EG	Annotated	Mild	
Nc1cccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C(=O)O	ZINC000587248785	EG	Annotated	Anodyne	
Nc1cccc(C(=O)O)c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587248799	EG	Annotated	Anodyne	
Nc1cccc(C(=O)O)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1	ZINC000587248822	EG	Annotated	Anodyne	
N#Cc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1C(F)(F)F	ZINC000587248829	EG	Annotated	Mild	
Cc1ccc2c(ccc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c32)n1	ZINC000587248833	EG	Annotated	Anodyne	
Nc1cccc(-c2nc3cccc(Br)c3[nH]2)c1C(=O)O	ZINC000587248875	EG	Annotated	Anodyne	
COc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1Cl	ZINC000587248921	EG	Annotated	Anodyne	
N#Cc1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1N	ZINC000587248936	EG	Annotated	Mild	
Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587248951	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3ccnc(Br)c3[nH]2)c1	ZINC000587248953	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3ccc(N)c(C#N)c3)nc2c1	ZINC000587248957	EG	Annotated	Mild	
CC(C)Oc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1	ZINC000587248974	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587248979	EG	Annotated	Anodyne	
Nc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1CC(=O)O	ZINC000587248984	EG	Annotated	Anodyne	
Nc1cccc(O)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587249002	EG	Annotated	Bother	
N#Cc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1N	ZINC000587249168	EG	Annotated	Mild	
COc1cc(C)c(N)c(-c2nc3cc(Br)ncc3[nH]2)c1	ZINC000587249246	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1	ZINC000587249273	EG	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c32)n1	ZINC000587249361	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3ccc(Br)nc3[nH]2)c1	ZINC000587249513	EG	Annotated	Anodyne	
N=c1cc[nH]cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587249559	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1	ZINC000587249653	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3ccnc(Br)c3[nH]2)cc1N	ZINC000587249737	EG	Annotated	Anodyne	
N#Cc1cc(Br)c2[nH]c(-c3c(N)cccc3O)nc2c1	ZINC000587249836	EG	Annotated	Mild	
Nc1cc(C(=O)O)ccc1Cc1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587249886	EG	Annotated	Anodyne	
Nc1ccccc1-c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1	ZINC000587249892	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1	ZINC000587250081	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cc(OC)cc(C)c3N)[nH]c2c1	ZINC000587250163	EG	Annotated	Anodyne	
N=c1cc[nH]cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587250176	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc(Br)cnc3[nH]2)cc1N	ZINC000587250180	EG	Annotated	Anodyne	
Nc1cc(-c2nc3cccc(Br)c3[nH]2)ccc1CC(=O)O	ZINC000587250306	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)cc(-c2nc3cccc(Br)c3[nH]2)c1	ZINC000587250309	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3c(Br)ccnc3[nH]2)c1	ZINC000587250316	EG	Annotated	Anodyne	
N#Cc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1N	ZINC000587250354	EG	Annotated	Mild	
Nc1cc(C(=O)O)ccc1Cc1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587250439	EG	Annotated	Anodyne	
Nc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1CC(=O)O	ZINC000587250452	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2ccc(Br)cc2[nH]1	ZINC000587250498	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1N	ZINC000587250507	EG	Annotated	Bother	
COc1cc(C)c(N)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c1	ZINC000587250522	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1N	ZINC000587250541	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3ccc(Br)nc3[nH]2)cc1N	ZINC000587250553	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc(Br)cnc3[nH]2)c1	ZINC000587250562	EG	Annotated	Anodyne	
COc1cc(C)c(N)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1	ZINC000587250563	EG	Annotated	Anodyne	
N=c1nc2nc(-c3ccc(-c4ccccc4N)cc3)[nH]c2c(Cl)[nH]1	ZINC000587250572	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3c(Br)ccnc3[nH]2)cc1N	ZINC000587250617	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3cc(Br)ncc3[nH]2)cc1N	ZINC000587250634	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2cccc(Br)c2[nH]1	ZINC000587250698	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587250732	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587250738	EG	Annotated	Anodyne	
Nc1cc(C(=O)O)ccc1Cc1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587250772	EG	Annotated	Anodyne	
Nc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1CC(=O)O	ZINC000587250790	EG	Annotated	Anodyne	
Nc1cccc(O)c1-c1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587250905	EG	Annotated	Anodyne	
Nc1cccc(O)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587250906	EG	Annotated	Bother	
COC(=O)c1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1OC	ZINC000587250908	EG	Annotated	Anodyne	
Cc1ccc(CCc2nc3cncc(Br)c3[nH]2)cc1N	ZINC000587250939	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2c1	ZINC000587251010	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1	ZINC000587251159	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1	ZINC000587251242	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(Br)ncc3[nH]2)cc1	ZINC000587251254	EG	Annotated	Anodyne	
Nc1cc(-c2nc3nc(Br)c[nH]c-3n2)c2ccccc2c1	ZINC000587251288	EG	Annotated	Anodyne	
Nc1ccc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587251333	EG	Annotated	Bother	
Nc1ccc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587251334	EG	Annotated	Bother	
Nc1ccc(C(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1	ZINC000587251369	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3ccnc(Br)c3[nH]2)cc1	ZINC000587251395	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cncc(Br)c3[nH]2)cc1	ZINC000587251409	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3ccc(Br)nc3[nH]2)cc1	ZINC000587251612	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	ZINC000587251817	EG	Annotated	Bother	
Nc1cc(-c2nc3c(S)nc(S)nc3[nH]2)c2ccccc2c1	ZINC000587251838	EG	Annotated	Anodyne	
CN(C)CCOc1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1	ZINC000587251883	EG	Annotated	Anodyne	
COC(=O)c1cc2[nH]c(-c3cc4cc(N)ccc4o3)nc2cc1OC	ZINC000587251926	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1	ZINC000587252092	EG	Annotated	Anodyne	
Nc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c2ccccc2c1	ZINC000587252271	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(C)c(Br)ccc2[nH]1	ZINC000587252321	EG	Annotated	Anodyne	
Nc1ccc2oc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2c1	ZINC000587252328	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3c(Br)ccnc3[nH]2)cc1	ZINC000587252331	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1	ZINC000587252359	EG	Annotated	Anodyne	
Nc1ccc(C(=O)CCc2nc3cc(Br)cnc3[nH]2)cc1	ZINC000587252397	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(/C=C/c4ccc(N)cc4)[nH]c3c2)NNC(=O)C1	ZINC000587252489	EG	Annotated	Anodyne	
CC1=C(c2ccc3nc(/C=C\c4ccc(N)cc4)[nH]c3c2)NNC(=O)C1	ZINC000587252490	EG	Annotated	Anodyne	
Nc1ccc(/C=C/c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1	ZINC000587252578	EG	Annotated	Anodyne	
Nc1ccc(/C=C\c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1	ZINC000587252579	EG	Annotated	Anodyne	
Nc1ccc2oc(-c3nc4nc(Br)c[nH]c-4n3)cc2c1	ZINC000587252583	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(Br)cc(C)cc2[nH]1	ZINC000587252600	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(Br)c(F)ccc2[nH]1	ZINC000587252636	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(F)cc(Br)cc2[nH]1	ZINC000587252654	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2cc(Br)c(C)cc2[nH]1	ZINC000587252675	EG	Annotated	Anodyne	
CCCOc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Br	ZINC000587252682	EG	Annotated	Anodyne	
CC(C)Oc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Br	ZINC000587252683	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(C(F)(F)F)cc(F)cc2[nH]1	ZINC000587252704	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2cc(C(F)(F)F)c(C#N)cc2[nH]1	ZINC000587252789	EG	Annotated	Mild	
COc1cncc(N)c1-c1nc2c(Br)cc(F)cc2[nH]1	ZINC000587252794	EG	Annotated	Anodyne	
Nc1ccc2oc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2c1	ZINC000587252830	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1OC	ZINC000587252886	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(F)c(Br)ccc2[nH]1	ZINC000587252973	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2cc(F)c(C(F)(F)F)cc2[nH]1	ZINC000587252984	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2cc(F)c(Br)cc2[nH]1	ZINC000587253008	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c(C)cc(Br)cc2[nH]1	ZINC000587253044	EG	Annotated	Anodyne	
Nc1cnc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)nc1	ZINC000587253051	EG	Annotated	Anodyne	
N=c1nc(O)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c[nH]1	ZINC000587253185	EG	Annotated	Anodyne	
Nc1ncccc1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587253233	EG	Annotated	Anodyne	
N=c1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c2ccccc2[nH]1	ZINC000587253250	EG	Annotated	Anodyne	
N=c1cc(-c2nc3cc(Br)cnc3[nH]2)c2ccccc2[nH]1	ZINC000587253262	EG	Annotated	Anodyne	
Nc1ncccc1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587253279	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c[nH]1	ZINC000587253299	EG	Annotated	Anodyne	
N=c1ncc(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c[nH]1	ZINC000587253462	EG	Annotated	Bother	
COc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1F	ZINC000587253548	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c[nH]1	ZINC000587253556	EG	Annotated	Clean	
CCOC(=O)Cc1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1	ZINC000587253563	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587253616	EG	Annotated	Bother	
COc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1OC	ZINC000587253789	EG	Annotated	Anodyne	
N=c1cc(-c2nc3c(Br)ccnc3[nH]2)c2ccccc2[nH]1	ZINC000587253854	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c[nH]1	ZINC000587253900	EG	Annotated	Anodyne	
Nc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc2ccccc12	ZINC000587253907	EG	Annotated	Anodyne	
COc1cncc(N)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587253947	EG	Annotated	Bother	
N=c1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c[nH]1	ZINC000587254002	EG	Annotated	Anodyne	
Nc1c(-c2nc3nc(Br)c[nH]c-3n2)ccc2ccccc12	ZINC000587254088	EG	Annotated	Anodyne	
COc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1C	ZINC000587254109	EG	Annotated	Anodyne	
Nc1cncc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1	ZINC000587254117	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2c1	ZINC000587254148	EG	Annotated	Anodyne	
N#Cc1nc(Cl)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12	ZINC000587254150	EG	Annotated	Mild	
Cc1c(Br)cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2c1C	ZINC000587254227	EG	Annotated	Anodyne	
Nc1c(-c2nc3c(S)nc(S)nc3[nH]2)ccc2ccccc12	ZINC000587254228	EG	Annotated	Anodyne	
Nc1cncc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1	ZINC000587254336	EG	Annotated	Anodyne	
Nc1ncccc1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587254418	EG	Annotated	Bother	
Nc1ncccc1Cc1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587254444	EG	Annotated	Anodyne	
N=c1cc(-c2nc3ccnc(Br)c3[nH]2)c2ccccc2[nH]1	ZINC000587254460	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c[nH]1	ZINC000587254519	EG	Annotated	Anodyne	
N=c1ncc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c[nH]1	ZINC000587254530	EG	Annotated	Anodyne	
Nc1ncccc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	ZINC000587254597	EG	Annotated	Bother	
N=c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2[nH]1	ZINC000587254674	EG	Annotated	Anodyne	
N=c1cc(-c2nc3cc(Br)ncc3[nH]2)c2ccccc2[nH]1	ZINC000587254716	EG	Annotated	Anodyne	
N=c1cc(-c2nc3ccc(Br)nc3[nH]2)c2ccccc2[nH]1	ZINC000587254781	EG	Annotated	Anodyne	
Cc1cc2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2cc1[N+](=O)[O-]	ZINC000587254808	EG	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc12	ZINC000587254865	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c[nH]1	ZINC000587255003	EG	Annotated	Anodyne	
CCCOc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br	ZINC000587255022	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c[nH]1	ZINC000587255031	EG	Annotated	Bother	
CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)=C1N	ZINC000587255139	EG	Annotated	Anodyne	
N=c1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c[nH]1	ZINC000587255149	EG	Annotated	Bother	
N[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C1COC1	ZINC000587255343	EG	Annotated	Anodyne	
CC1(C)OC(=O)C(c2nc3ccc(SC(F)(F)F)cc3[nH]2)=C1N	ZINC000587255395	EG	Annotated	Anodyne	
CC1(C)OC(=O)C(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)=C1N	ZINC000587255647	EG	Annotated	Anodyne	
N[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)C1CC1	ZINC000587255671	EG	Annotated	Anodyne	
N[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)C1CC1	ZINC000587255688	EG	Annotated	Anodyne	
CC1(C)OC(=O)C(c2nc3cccc(OCc4ccccc4)c3[nH]2)=C1N	ZINC000587255819	EG	Annotated	Anodyne	
CC(C)Oc1cc2nc(CC3CC(N)C3)[nH]c2cc1Br	ZINC000587255852	EG	Annotated	Anodyne	
NC1CCC(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1	ZINC000587256128	EG	Annotated	Anodyne	
NC1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1	ZINC000587256130	EG	Annotated	Bother	
NC1CCC(c2nc3cccc(I)c3[nH]2)CC1	ZINC000587256281	EG	Annotated	Anodyne	
Cc1ccc2c(ccc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c32)n1	ZINC000587256285	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587256298	EG	Annotated	Anodyne	
NC1CCC(c2nc3ccc(I)cc3[nH]2)CC1	ZINC000587256306	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)cc(Cl)c2[nH]1	ZINC000587256330	EG	Annotated	Anodyne	
NC1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1	ZINC000587256341	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587256363	EG	Annotated	Anodyne	
NC1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1	ZINC000587256413	EG	Annotated	Bother	
NC1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1	ZINC000587256427	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2cccc(C(C)(C)C)c2[nH]1	ZINC000587256500	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587256592	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587256710	EG	Annotated	Anodyne	
N[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C1COC1	ZINC000587256838	EG	Annotated	Anodyne	
NC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1	ZINC000587256878	EG	Annotated	Clean	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(C(C)(C)C)cc2[nH]1	ZINC000587256912	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000587256958	EG	Annotated	Anodyne	
C=CC[C@@](C)(N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587257456	EG	Annotated	Mild	
CC(C)(C)[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	ZINC000587257489	EG	Annotated	Bother	
CC(C)(C)[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	ZINC000587257495	EG	Annotated	Bother	
CC(C)(C)[C@H](N)c1nc2cccc(I)c2[nH]1	ZINC000587257892	EG	Annotated	Anodyne	
CC(C)(C)[C@H](N)c1nc2cc(Br)cc(C(=O)O)c2[nH]1	ZINC000587257961	EG	Annotated	Anodyne	
COC(=O)c1cc(Br)c2[nH]c([C@@H](N)C(C)(C)C)nc2c1	ZINC000587257996	EG	Annotated	Anodyne	
CC(C)(C)[C@H](N)c1nc2ccc(I)cc2[nH]1	ZINC000587258036	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cn1	ZINC000587258283	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1cccc2ccccc12	ZINC000587258300	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1cccc2ccccc12	ZINC000587258307	EG	Annotated	Bother	
COC(=O)CC[C@H](N)c1nc2ccc(SC(F)(F)F)cc2[nH]1	ZINC000587258395	EG	Annotated	Anodyne	
CC(C)(C)[C@H](N)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000587258469	EG	Annotated	Clean	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)C(C)C)nc2c1	ZINC000587258519	EG	Annotated	Anodyne	
COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	ZINC000587258568	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2n1	ZINC000587258743	EG	Annotated	Anodyne	
N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12	ZINC000587259082	EG	Annotated	Bother	
COC(=O)CC[C@H](N)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	ZINC000587259143	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(C[C@H](N)c3cccc4ccccc34)nc12	ZINC000587259266	EG	Annotated	Anodyne	
CC(C)[C@H](N)c1nc2c(Br)cnc(Br)c2[nH]1	ZINC000587259516	EG	Annotated	Anodyne	
NC(=O)c1cccc(C[C@H](N)c2nc3cc(Cl)cc(Cl)c3[nH]2)c1	ZINC000587259677	EG	Annotated	Anodyne	
COc1cc(-c2nc3cccc(OC)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260810	EG	Annotated	Bother	
COc1cc(-c2nc3ccc(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260841	EG	Annotated	Bother	
COC(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1OC	ZINC000587260846	EG	Annotated	Bother	
Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cccc1[N+](=O)[O-]	ZINC000587260850	EG	Annotated	Bother	
COc1cc(-c2nc3cc(Cl)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260884	EG	Annotated	Bother	
COc1cc(-c2nc3cncc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260924	EG	Annotated	Bother	
COc1cc(-c2nc3cc(OC)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587260939	EG	Annotated	Bother	
COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261010	EG	Annotated	Bother	
COc1cc(-c2nc3ccc(C(C)=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261016	EG	Annotated	Bother	
COc1cc(-c2nc3ccc(Cl)nc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261025	EG	Annotated	Bother	
COc1cc(-c2nc3cc(Cl)ncc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261032	EG	Annotated	Bother	
COc1cc(-c2nc3cc(F)cc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261064	EG	Annotated	Bother	
COc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261081	EG	Annotated	Bother	
Cc1c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cccc1[N+](=O)[O-]	ZINC000587261095	EG	Annotated	Bother	
COc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261119	EG	Annotated	Bother	
COc1cc(-c2nc3cc(F)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261149	EG	Annotated	Bother	
COc1cc(-c2nc3c(Cl)ccnc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261150	EG	Annotated	Bother	
COc1cc(-c2nc3cc(OC)c(C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261206	EG	Annotated	Bother	
COc1cc(-c2nc3ccnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1	ZINC000587261215	EG	Annotated	Bother	
Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587261395	EG	Annotated	Mild	
COCCNc1ccc(-c2nc3cncc(Cl)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587261401	EG	Annotated	Bother	
Cc1c(F)ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12	ZINC000587261423	EG	Annotated	Mild	
COCCNc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587261500	EG	Annotated	Bother	
COCCNc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587261526	EG	Annotated	Bother	
CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1	ZINC000587261552	EG	Annotated	Bother	
CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1	ZINC000587261557	EG	Annotated	Bother	
CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1	ZINC000587261558	EG	Annotated	Bother	
CC(C)Oc1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1	ZINC000587261559	EG	Annotated	Bother	
C=CCc1cccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c12	ZINC000587261669	EG	Annotated	Mild	
Cc1cc(C)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1	ZINC000587261768	EG	Annotated	Mild	
Cc1cc(F)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1	ZINC000587261772	EG	Annotated	Mild	
COCCNc1ccc(-c2nc3cccc(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587261802	EG	Annotated	Bother	
Cc1cc(C#Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587261808	EG	Annotated	Mild	
Cc1cc(C#Cc2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587261822	EG	Annotated	Mild	
COCCNc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587262006	EG	Annotated	Bother	
CCc1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1	ZINC000587262050	EG	Annotated	Mild	
COCCNc1ccc(-c2nc3ccc(Cl)nc3[nH]2)cc1[N+](=O)[O-]	ZINC000587262057	EG	Annotated	Bother	
COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1F	ZINC000587262068	EG	Annotated	Mild	
Cc1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2c1C	ZINC000587262093	EG	Annotated	Mild	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C(=O)O)c3[nH]2)c1	ZINC000587262125	EG	Annotated	Bother	
COc1cc(OC)c2[nH]c(C#Cc3ccc([N+](=O)[O-])c(C)c3)nc2c1	ZINC000587262152	EG	Annotated	Mild	
Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587262216	EG	Annotated	Bother	
Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587262217	EG	Annotated	Bother	
Cc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587262218	EG	Annotated	Bother	
Cc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587262219	EG	Annotated	Bother	
COCCNc1ccc(-c2nc3c(Cl)ccnc3[nH]2)cc1[N+](=O)[O-]	ZINC000587262278	EG	Annotated	Bother	
O=CC(C=O)c1ccc(-c2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587262312	EG	Annotated	Mild	
Cc1cc(C#Cc2nc3c(F)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262344	EG	Annotated	Mild	
COc1cccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c12	ZINC000587262376	EG	Annotated	Bother	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4c(cc3[nH]2)OCO4)c1	ZINC000587262429	EG	Annotated	Bother	
COc1cc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2cc1OC	ZINC000587262453	EG	Annotated	Mild	
COc1cc(OCc2nc3cccc(OC)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262514	EG	Annotated	Bother	
Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1C	ZINC000587262562	EG	Annotated	Mild	
Cc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1F	ZINC000587262581	EG	Annotated	Mild	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587262696	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587262706	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587262707	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587262708	EG	Annotated	Bother	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)O)cc3[nH]2)c1	ZINC000587262755	EG	Annotated	Bother	
Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1[N+](=O)[O-]	ZINC000587262775	EG	Annotated	Mild	
Cc1cc(C#Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262804	EG	Annotated	Mild	
Cc1cc(C#Cc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1[N+](=O)[O-]	ZINC000587262814	EG	Annotated	Mild	
Cc1cc(C#Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262870	EG	Annotated	Mild	
COc1cc(OCc2nc3cc(F)cc(F)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262889	EG	Annotated	Bother	
COc1cc(OCc2nc3ccc(F)c(F)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262907	EG	Annotated	Bother	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4cn[nH]c4cc3[nH]2)c1	ZINC000587262909	EG	Annotated	Bother	
COc1cc(OCc2nc3ccnc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262949	EG	Annotated	Bother	
COc1cc(OCc2nc3ccc(C(C)=O)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587262990	EG	Annotated	Bother	
Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12	ZINC000587262994	EG	Annotated	Bother	
Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12	ZINC000587262995	EG	Annotated	Bother	
Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12	ZINC000587262996	EG	Annotated	Bother	
Cc1cc(Cl)cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12	ZINC000587262997	EG	Annotated	Bother	
COc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1F	ZINC000587263073	EG	Annotated	Bother	
COc1cc(OCc2nc3cc(Cl)ncc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263090	EG	Annotated	Bother	
COc1cc(OCc2nc3cncc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263125	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587263226	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587263227	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587263228	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(F)cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587263229	EG	Annotated	Bother	
COc1cc(OCc2nc3c(Cl)ccnc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263258	EG	Annotated	Bother	
COc1cc(OCc2nc3cc(F)c(F)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263287	EG	Annotated	Bother	
COc1cc(OCc2nc3ccc(Cl)nc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263393	EG	Annotated	Bother	
COc1cc(OCc2nc3c(C)nc(C)cc3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263465	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3c(Cl)ccnc3[nH]2)c([N+](=O)[O-])c1	ZINC000587263487	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(F)c(F)cc3[nH]2)c([N+](=O)[O-])c1	ZINC000587263515	EG	Annotated	Bother	
CC(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	ZINC000587263534	EG	Annotated	Bother	
COc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1C	ZINC000587263654	EG	Annotated	Bother	
COc1cc(OCc2nc3c(C)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	ZINC000587263711	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)ncc3[nH]2)c([N+](=O)[O-])c1	ZINC000587263759	EG	Annotated	Bother	
Cc1cc(C)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1	ZINC000587263793	EG	Annotated	Bother	
COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F	ZINC000587263824	EG	Annotated	Bother	
CSc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1	ZINC000587263847	EG	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	ZINC000587263923	EG	Annotated	Bother	
Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c12	ZINC000587263933	EG	Annotated	Bother	
Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c12	ZINC000587263935	EG	Annotated	Bother	
Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12	ZINC000587263937	EG	Annotated	Bother	
Cc1c(Cl)ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c12	ZINC000587263938	EG	Annotated	Bother	
Cc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F	ZINC000587263945	EG	Annotated	Bother	
Cc1c(F)ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	ZINC000587263947	EG	Annotated	Bother	
Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1	ZINC000587264079	EG	Annotated	Bother	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cnc2[nH]1	ZINC000587264151	EG	Annotated	Bother	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(Cl)c2[nH]1	ZINC000587264186	EG	Annotated	Bother	
COCCOc1ccc(-c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587264215	EG	Annotated	Bother	
COCCNc1ccc(-c2nc3c(C)nc(C)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587264222	EG	Annotated	Bother	
COCCOc1ccc(-c2nc3cccc(OC)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587264245	EG	Annotated	Bother	
COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C	ZINC000587264374	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cncc(Cl)c3[nH]2)c([N+](=O)[O-])c1	ZINC000587264614	EG	Annotated	Bother	
Cc1cnc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	ZINC000587264615	EG	Annotated	Bother	
Cc1cc(Cl)cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12	ZINC000587264805	EG	Annotated	Bother	
COCCNc1ccc(-c2nc3cccc(C#N)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587264810	EG	Annotated	Mild	
Cc1nccc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	ZINC000587264943	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)c([N+](=O)[O-])c1	ZINC000587264974	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3ccc(Cl)nc3[nH]2)c([N+](=O)[O-])c1	ZINC000587265005	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)c([N+](=O)[O-])c1	ZINC000587265037	EG	Annotated	Bother	
COCCOc1ccc(-c2nc3c(C)nc(C)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587265192	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587265231	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587265232	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@@H]1C[N+](=O)[O-]	ZINC000587265233	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4ccccc4cc3[nH]2)[C@H]1C[N+](=O)[O-]	ZINC000587265234	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@@H]1C[N+](=O)[O-]	ZINC000587265236	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@H]1C[N+](=O)[O-]	ZINC000587265241	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@@H]1C[N+](=O)[O-]	ZINC000587265242	EG	Annotated	Bother	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc4c(c3[nH]2)CCCC4)[C@H]1C[N+](=O)[O-]	ZINC000587265243	EG	Annotated	Bother	
COCCOc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587265285	EG	Annotated	Bother	
Cc1ccc(C)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12	ZINC000587265311	EG	Annotated	Bother	
Cc1c(Cl)ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12	ZINC000587265326	EG	Annotated	Bother	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1	ZINC000587265363	EG	Annotated	Bother	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(O)c2[nH]1	ZINC000587265585	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)cnc3[nH]2)c([N+](=O)[O-])c1	ZINC000587265764	EG	Annotated	Bother	
Cc1cc(F)c2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	ZINC000587265848	EG	Annotated	Bother	
Cc1ccnc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	ZINC000587265876	EG	Annotated	Bother	
COCCOc1ccc(-c2nc3cccc(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587265886	EG	Annotated	Bother	
C=CCc1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12	ZINC000587265889	EG	Annotated	Mild	
O=[N+]([O-])c1ccc(Cc2nc3ccnc(Cl)c3[nH]2)c([N+](=O)[O-])c1	ZINC000587265993	EG	Annotated	Bother	
Cc1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1C	ZINC000587265998	EG	Annotated	Bother	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(O)cc2[nH]1	ZINC000587266127	EG	Annotated	Bother	
Cc1cncc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	ZINC000587266211	EG	Annotated	Bother	
Cc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Cl	ZINC000587266414	EG	Annotated	Bother	
Cc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1C	ZINC000587266476	EG	Annotated	Bother	
COCCNc1ccc(-c2nc3cccc(OC)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587266489	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587267050	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587267051	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587267095	EG	Annotated	Mild	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587267097	EG	Annotated	Mild	
Cc1nn(Cc2ccccc2-c2nc3cccnc3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587267122	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587267202	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587267205	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587267376	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587267378	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587267516	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587267517	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587267551	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587267552	EG	Annotated	Bother	
Cc1c(Br)ccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12	ZINC000587267638	EG	Annotated	Bother	
Cc1cc(Br)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1	ZINC000587267677	EG	Annotated	Bother	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587267687	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c32)n1	ZINC000587267736	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c32)n1	ZINC000587267739	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587267774	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587267775	EG	Annotated	Bother	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc3ncccc3c2[nH]1	ZINC000587267880	EG	Annotated	Bother	
Nc1ncc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587267901	EG	Annotated	Bother	
Nc1ncc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587267917	EG	Annotated	Bother	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cnc3ccccc3c2[nH]1	ZINC000587267970	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1	ZINC000587267976	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(OC(C)C)cc2[nH]1	ZINC000587267977	EG	Annotated	Bother	
Cc1nn(Cc2ccccc2-c2nc3cnccc3[nH]2)c(C)c1[N+](=O)[O-]	ZINC000587267997	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587268005	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587268006	EG	Annotated	Bother	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587268099	EG	Annotated	Mild	
Nc1ncc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587268113	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587268117	EG	Annotated	Bother	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587268119	EG	Annotated	Bother	
COc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Cl	ZINC000587268134	EG	Annotated	Bother	
COc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Cl	ZINC000587268137	EG	Annotated	Bother	
Nc1ncc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587268174	EG	Annotated	Bother	
N#Cc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1C(F)(F)F	ZINC000587268188	EG	Annotated	Mild	
Nc1ncc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587268308	EG	Annotated	Bother	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(F)cnc(Cl)c2[nH]1	ZINC000587268347	EG	Annotated	Bother	
CC(=O)c1ccc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2c1	ZINC000587268352	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2cccc(Br)c2[nH]1	ZINC000587268360	EG	Annotated	Bother	
Cc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br	ZINC000587268361	EG	Annotated	Bother	
Cc1cc(Br)cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12	ZINC000587268371	EG	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc12	ZINC000587268385	EG	Annotated	Bother	
COc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1C	ZINC000587268411	EG	Annotated	Bother	
Cc1cc2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2cc1[N+](=O)[O-]	ZINC000587268443	EG	Annotated	Bother	
O=[N+]([O-])c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587268525	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587268534	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c32)n1	ZINC000587268546	EG	Annotated	Bother	
COc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Cl	ZINC000587268554	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587268583	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587268612	EG	Annotated	Bother	
Cc1cc(C)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1	ZINC000587268650	EG	Annotated	Bother	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)cc(F)c2[nH]1	ZINC000587268683	EG	Annotated	Bother	
CC(C)(C)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2n1	ZINC000587268729	EG	Annotated	Bother	
COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1C	ZINC000587268759	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(Cl)ncnc3[nH]2)c1	ZINC000587268762	EG	Annotated	Bother	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(F)c(F)cc2[nH]1	ZINC000587268782	EG	Annotated	Bother	
CC(C)Oc1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1	ZINC000587268876	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587268887	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587268928	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587268940	EG	Annotated	Bother	
Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1F	ZINC000587268942	EG	Annotated	Bother	
Cc1oc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1[N+](=O)[O-]	ZINC000587268969	EG	Annotated	Bother	
Cc1ccc(C)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc12	ZINC000587268970	EG	Annotated	Bother	
CC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1	ZINC000587269000	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(F)cnc3[nH]2)c1	ZINC000587269002	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(CO)cc3[nH]2)c1	ZINC000587269060	EG	Annotated	Bother	
Cc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1C	ZINC000587269076	EG	Annotated	Bother	
Cc1oc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1[N+](=O)[O-]	ZINC000587269100	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587269142	EG	Annotated	Bother	
CCc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1	ZINC000587269163	EG	Annotated	Bother	
COC(=O)c1cc(Cl)c2nc(-c3cc([N+](=O)[O-])c(C)o3)[nH]c2c1	ZINC000587269166	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587269207	EG	Annotated	Bother	
N#Cc1cc(Cl)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1	ZINC000587269246	EG	Annotated	Mild	
C=CCc1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12	ZINC000587269273	EG	Annotated	Mild	
O=[N+]([O-])c1cccc(CCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1	ZINC000587269325	EG	Annotated	Bother	
COc1cc(OC)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1	ZINC000587269341	EG	Annotated	Bother	
CSc1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000587269346	EG	Annotated	Bother	
COc1cncc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	ZINC000587269390	EG	Annotated	Bother	
Cc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1C	ZINC000587269422	EG	Annotated	Bother	
Cc1cnc(Cl)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12	ZINC000587269427	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3c(Br)ccnc3[nH]2)c1	ZINC000587269432	EG	Annotated	Bother	
O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)cc2[nH]1	ZINC000587269683	EG	Annotated	Bother	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc3ncccc3c2[nH]1	ZINC000587269807	EG	Annotated	Bother	
Cc1cc(C)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1	ZINC000587269817	EG	Annotated	Bother	
COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cn1	ZINC000587269855	EG	Annotated	Bother	
COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2n1	ZINC000587269890	EG	Annotated	Bother	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc3ncccc3c2[nH]1	ZINC000587269901	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cnc(Cl)[nH]c-3n2)c1	ZINC000587269904	EG	Annotated	Bother	
O=C(O)c1cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2cc1F	ZINC000587269945	EG	Annotated	Bother	
COc1nccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	ZINC000587269966	EG	Annotated	Bother	
N#Cc1nc(Cl)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12	ZINC000587269977	EG	Annotated	Mild	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3nc(Cl)c[nH]c-3n2)c1	ZINC000587270013	EG	Annotated	Bother	
N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000587270044	EG	Annotated	Mild	
Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc12	ZINC000587270060	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(Cl)c4[nH]3)nn2)c1	ZINC000587270192	EG	Annotated	Bother	
N=c1[nH]ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12	ZINC000587270206	EG	Annotated	Bother	
Nc1ccnc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12	ZINC000587270221	EG	Annotated	Bother	
N=c1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c[nH]1	ZINC000587270240	EG	Annotated	Bother	
Cc1c(F)ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12	ZINC000587270295	EG	Annotated	Bother	
Cc1cc(F)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1	ZINC000587270308	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3cc(Br)ncc3[nH]2)c1	ZINC000587270319	EG	Annotated	Bother	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cnc3ccccc3c2[nH]1	ZINC000587270351	EG	Annotated	Bother	
CCc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1	ZINC000587270373	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1	ZINC000587270424	EG	Annotated	Bother	
Cc1ccc(C)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc12	ZINC000587270441	EG	Annotated	Bother	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cnc3ccccc3c2[nH]1	ZINC000587270506	EG	Annotated	Bother	
COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C	ZINC000587270518	EG	Annotated	Bother	
CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2n1	ZINC000587270571	EG	Annotated	Bother	
Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1C	ZINC000587270602	EG	Annotated	Bother	
Cc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1C	ZINC000587270631	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3cncc(Br)c3[nH]2)c1	ZINC000587270646	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccnc(O)c4[nH]3)c2)c1	ZINC000587270684	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Cl)cc4[nH]3)nn2)c1	ZINC000587270714	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3cc(Br)cnc3[nH]2)c1	ZINC000587270734	EG	Annotated	Bother	
O=C(O)c1cc(F)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c12	ZINC000587270739	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3cc4c(cc3[nH]2)OCCO4)c1	ZINC000587270760	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3ccnc(Br)c3[nH]2)c1	ZINC000587270767	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)nc3[nH]2)c1	ZINC000587270778	EG	Annotated	Bother	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)c(F)c(F)c2[nH]1	ZINC000587270822	EG	Annotated	Bother	
O=C1CCc2cc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3cc2N1	ZINC000587270883	EG	Annotated	Bother	
O=[N+]([O-])c1cccc(CCc2nc3cc4c(cc3[nH]2)OCCCO4)c1	ZINC000587270930	EG	Annotated	Bother	
COc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Cl	ZINC000587270991	EG	Annotated	Bother	
N=c1[nH]cc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc-2[nH]1	ZINC000587272390	EG	Annotated	Bother	
CC(C)OCCC(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587272771	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(Cl)nc3[nH]2)n1	ZINC000587272794	EG	Annotated	Bother	
O=C(c1ccccc1)c1c(CO)oc2cc(Br)cnc12	ZINC000587272945	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccn(CCCc2nc3ccc(C(F)(F)F)cc3[nH]2)n1	ZINC000587272948	EG	Annotated	Bother	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587272979	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587272986	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587272988	EG	Annotated	Bother	
Nc1ncnc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc12	ZINC000587273049	EG	Annotated	Bother	
O=[N+]([O-])c1ccn(CCCc2nc3c(Cl)cnc(Cl)c3[nH]2)n1	ZINC000587273099	EG	Annotated	Bother	
O=[N+]([O-])c1ccn(CCCc2nc3cccc(C(F)(F)F)c3[nH]2)n1	ZINC000587273138	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c32)n1	ZINC000587273597	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c32)n1	ZINC000587273604	EG	Annotated	Bother	
CC(C)Oc1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1	ZINC000587273654	EG	Annotated	Bother	
O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)n1	ZINC000587273663	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587273670	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(C(F)(F)F)c2[nH]1	ZINC000587273673	EG	Annotated	Bother	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587273749	EG	Annotated	Bother	
Cc1ccc2c(ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c32)n1	ZINC000587273935	EG	Annotated	Bother	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)cc(Cl)c2[nH]1	ZINC000587274049	EG	Annotated	Bother	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Cl)c(Cl)cc2[nH]1	ZINC000587274237	EG	Annotated	Bother	
Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1	ZINC000587274254	EG	Annotated	Bother	
O=[N+]([O-])c1ccn(CCCc2nc3ccc4c(c3[nH]2)CCCC4)n1	ZINC000587274408	EG	Annotated	Bother	
C#CCC(C)(C)C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587274419	EG	Annotated	Mild	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(C(F)(F)F)cc2[nH]1	ZINC000587274585	EG	Annotated	Bother	
CC(C)(C)OCC(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587274661	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccn(CCCc2nc3c(Cl)c(Cl)cnc3[nH]2)n1	ZINC000587274669	EG	Annotated	Bother	
O=[N+]([O-])c1ccn(CCCc2nc3cc(Cl)nc(Cl)c3[nH]2)n1	ZINC000587274678	EG	Annotated	Bother	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	ZINC000587274749	EG	Annotated	Bother	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587274769	EG	Annotated	Bother	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1	ZINC000587274785	EG	Annotated	Bother	
CC(C)Oc1ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1	ZINC000587274796	EG	Annotated	Bother	
CC(C)Oc1ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1	ZINC000587274797	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587274865	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(C)(C)C)nc2[nH]1	ZINC000587274866	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587274880	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)CCCC3	ZINC000587274881	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587274889	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	ZINC000587274894	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587275007	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(F)c(F)c2[nH]1	ZINC000587275009	EG	Annotated	Bother	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	ZINC000587275057	EG	Annotated	Bother	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	ZINC000587275130	EG	Annotated	Bother	
Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)o1	ZINC000587275491	EG	Annotated	Anodyne	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@@H]1CC=C[C@H]21	ZINC000587275562	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@H]1CC=C[C@@H]21	ZINC000587275565	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@H]1CC=C[C@H]21	ZINC000587275569	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cnncc3[nH]1)[C@@H]1CC=C[C@@H]21	ZINC000587275573	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@H]1CC=C[C@H]21	ZINC000587275595	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@@H]1CC=C[C@@H]21	ZINC000587275598	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@H]1CC=C[C@@H]21	ZINC000587275600	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ncc[nH]c-3n1)[C@@H]1CC=C[C@H]21	ZINC000587275604	EG	Annotated	Clean	
O=C(c1cccs1)c1c(CO)oc2cc(Br)cnc12	ZINC000587275633	EG	Annotated	Anodyne	
C[C@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587275669	EG	Annotated	Bother	
C[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587275670	EG	Annotated	Bother	
C[C@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587275682	EG	Annotated	Bother	
C[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587275683	EG	Annotated	Bother	
Cc1cncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1	ZINC000587275763	EG	Annotated	Anodyne	
Cc1occc1C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587275824	EG	Annotated	Anodyne	
C[C@H](c1nc2ccc(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587276132	EG	Annotated	Bother	
C[C@@H](c1nc2ccc(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587276133	EG	Annotated	Bother	
O=C(c1c(CO)oc2cc(Br)cnc12)C(Cl)Cl	ZINC000587276258	EG	Annotated	Reactive	
Cc1ccoc1C(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587276335	EG	Annotated	Anodyne	
CSCCC(=O)c1c(CO)oc2cc(Br)cnc12	ZINC000587276452	EG	Annotated	Anodyne	
O=C(c1ccsc1)c1c(CO)oc2cc(Br)cnc12	ZINC000587276498	EG	Annotated	Anodyne	
O=C(CC(F)(F)F)c1c(CO)oc2cc(Br)cnc12	ZINC000587276583	EG	Annotated	Anodyne	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587276812	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)nc(Cl)c2[nH]1	ZINC000587276814	EG	Annotated	Bother	
C[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587276837	EG	Annotated	Bother	
C[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587276839	EG	Annotated	Bother	
O=C(CCCCl)c1c(CO)oc2cc(Br)cnc12	ZINC000587277063	EG	Annotated	Reactive	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587277220	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Cl)c(Cl)nc2[nH]1	ZINC000587277221	EG	Annotated	Bother	
C[C@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277236	EG	Annotated	Bother	
C[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277237	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587277376	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)cnc(Cl)c2[nH]1	ZINC000587277377	EG	Annotated	Bother	
COc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl	ZINC000587277458	EG	Annotated	Bother	
COc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Cl	ZINC000587277459	EG	Annotated	Bother	
C[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277478	EG	Annotated	Bother	
C[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277479	EG	Annotated	Bother	
C[C@H](c1nc2cccc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277480	EG	Annotated	Bother	
C[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277481	EG	Annotated	Bother	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587277498	EG	Annotated	Bother	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Cl)c(Cl)cnc2[nH]1	ZINC000587277499	EG	Annotated	Bother	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@@H]1CC=C[C@@H]21	ZINC000587277534	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@H]1CC=C[C@H]21	ZINC000587277535	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@@H]1CC=C[C@H]21	ZINC000587277536	EG	Annotated	Clean	
Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncnc3[nH]1)[C@H]1CC=C[C@@H]21	ZINC000587277537	EG	Annotated	Clean	
C[C@H](c1nc2cccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277635	EG	Annotated	Bother	
C[C@@H](c1nc2cccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277636	EG	Annotated	Bother	
C[C@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277658	EG	Annotated	Bother	
C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1	ZINC000587277659	EG	Annotated	Bother	
Cc1nn(-c2ccccc2)nc1C(=O)c1coc2cc(C#N)ccc12	ZINC000587277692	EG	Annotated	Mild	
N#Cc1ccc2c(C(=O)c3ccc(S(=O)(=O)F)cc3)coc2c1	ZINC000587277715	EG	Annotated	Unstable	
N#Cc1ccc2c(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)coc2c1	ZINC000587277742	EG	Annotated	Mild	
CCOC(=O)c1cnn(C)c1C(=O)c1coc2ccc(Cl)cc12	ZINC000587277780	EG	Annotated	Anodyne	
Cc1c(C(=O)c2coc3cc(C#N)ccc23)nnn1Cc1ccccc1	ZINC000587278279	EG	Annotated	Mild	
N#Cc1ccc2c(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)coc2c1	ZINC000587278496	EG	Annotated	Mild	
N#Cc1ccc2c(C(=O)CCS(=O)(=O)c3ccccc3)coc2c1	ZINC000587278564	EG	Annotated	Mild	
N#Cc1ccc2c(C(=O)c3cccc(S(=O)(=O)Cl)c3)coc2c1	ZINC000587278941	EG	Annotated	Unstable	
CCOC(=O)c1cn(C)nc1C(=O)c1coc2ccc(Cl)cc12	ZINC000587279147	EG	Annotated	Anodyne	
N#Cc1ccc2c(C(=O)C3(Br)CCOCC3)coc2c1	ZINC000587279194	EG	Annotated	Mild	
Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1coc2cc(C#N)ccc12	ZINC000587279280	EG	Annotated	Mild	
CC(=O)Oc1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1	ZINC000587279329	EG	Annotated	Bother	
O=C(Cc1ccc2c(c1)OCO2)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279380	EG	Annotated	Bother	
O=C(c1n[nH]cc1Br)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279398	EG	Annotated	Bother	
C[C@H](C(=O)c1coc2cc(C#N)ccc12)N1C(=O)c2ccccc2C1=O	ZINC000587279504	EG	Annotated	Mild	
C[C@@H](C(=O)c1coc2cc(C#N)ccc12)N1C(=O)c2ccccc2C1=O	ZINC000587279505	EG	Annotated	Mild	
Cn1cc(Br)c(C(=O)c2coc3cc(C#N)ccc23)n1	ZINC000587279616	EG	Annotated	Mild	
N#Cc1ccc2c(C(=O)CCN3C(=O)c4ccccc4C3=O)coc2c1	ZINC000587279641	EG	Annotated	Mild	
CC(=O)Oc1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279678	EG	Annotated	Bother	
CC(=O)Oc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	ZINC000587279688	EG	Annotated	Bother	
Cc1nn(-c2ccccc2)nc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587279983	EG	Annotated	Bother	
Cn1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C(F)(F)F)n1	ZINC000587280012	EG	Annotated	Bother	
O=C(c1ccc(S(=O)(=O)F)cc1)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587280074	EG	Annotated	Unstable	
Cn1nc(C(F)(F)F)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587280112	EG	Annotated	Bother	
Cn1ncc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1C(F)(F)F	ZINC000587280121	EG	Annotated	Bother	
O=C(c1cc(C(F)(F)F)n[nH]1)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587280139	EG	Annotated	Bother	
O=C(c1nn2cccnc2c1Cl)c1coc2cc([N+](=O)[O-])ccc12	ZINC000587280149	EG	Annotated	Bother	
O=CO[C@@H](C(=O)c1coc2cc([N+](=O)[O-])ccc12)c1ccccc1	ZINC000587280276	EG	Annotated	Bother	
O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1COc2ccccc2O1	ZINC000587280350	EG	Annotated	Bother	
O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1COc2ccccc2O1	ZINC000587280351	EG	Annotated	Bother	
O=C(c1cc2ncc(Br)cn2n1)c1coc2ccccc12	ZINC000587280433	EG	Annotated	Anodyne	
O=C(Cl)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1	ZINC000587280558	EG	Annotated	Reactive	
O=C(c1nn2cccnc2c1Br)c1coc2ccccc12	ZINC000587280744	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2F)[C@H]1c1ccc(F)cc1	ZINC000587335736	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOC[C@H]2F)[C@@H]1c1ccc(F)cc1	ZINC000587335742	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2F)[C@H]1c1ccc(F)cc1	ZINC000587335750	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCOC[C@@H]2F)[C@@H]1c1ccc(F)cc1	ZINC000587335757	EG	Annotated	Anodyne	
CN(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339423	EG	Annotated	Anodyne	
CN(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339427	EG	Annotated	Anodyne	
CN(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587339430	EG	Annotated	Anodyne	
CN(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587339432	EG	Annotated	Anodyne	
C[C@@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341877	EG	Annotated	Mild	
C[C@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341879	EG	Annotated	Mild	
C[C@@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587341880	EG	Annotated	Mild	
C[C@]1(C(C#N)C#N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587341881	EG	Annotated	Mild	
CN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587342688	EG	Annotated	Anodyne	
CN1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587342689	EG	Annotated	Anodyne	
CN1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587342691	EG	Annotated	Anodyne	
CN1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587342693	EG	Annotated	Anodyne	
C[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343077	EG	Annotated	Anodyne	
C[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343078	EG	Annotated	Anodyne	
C[C@@H]1CNCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343079	EG	Annotated	Anodyne	
C[C@@H]1CNCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343081	EG	Annotated	Anodyne	
C[C@@H]1CN(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343298	EG	Annotated	Anodyne	
C[C@@H]1CN(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343300	EG	Annotated	Anodyne	
C[C@@H]1CN(C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343302	EG	Annotated	Anodyne	
C[C@@H]1CN(C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343303	EG	Annotated	Anodyne	
CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587343368	EG	Annotated	Anodyne	
CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587343370	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343654	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343658	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587343661	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCN2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587343663	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344904	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344907	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587344910	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587344912	EG	Annotated	Anodyne	
CC(=O)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345830	EG	Annotated	Anodyne	
CC(=O)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345832	EG	Annotated	Anodyne	
CC(=O)OC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587345833	EG	Annotated	Anodyne	
CC(=O)OC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587345835	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587347219	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587347222	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587347224	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CN1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587347226	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348231	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348234	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587348237	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587348240	EG	Annotated	Anodyne	
C[C@@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349440	EG	Annotated	Anodyne	
C[C@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349442	EG	Annotated	Anodyne	
C[C@@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587349447	EG	Annotated	Anodyne	
C[C@]1(CCCO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587349453	EG	Annotated	Anodyne	
CO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587350101	EG	Annotated	Anodyne	
CO[C@@H]1CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587350108	EG	Annotated	Anodyne	
CO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587350113	EG	Annotated	Anodyne	
CO[C@@H]1CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587350118	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCNC2)[C@H]1c1ccc(F)cc1	ZINC000587350202	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCNC2)[C@@H]1c1ccc(F)cc1	ZINC000587350212	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCNC2)[C@@H]1c1ccc(F)cc1	ZINC000587350218	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCNC2)[C@H]1c1ccc(F)cc1	ZINC000587350225	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350895	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350904	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350911	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCNC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350914	EG	Annotated	Anodyne	
COC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350942	EG	Annotated	Anodyne	
COC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350945	EG	Annotated	Anodyne	
COC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587350950	EG	Annotated	Anodyne	
COC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587350952	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(C2CC2)[C@@H]1c1ccc(F)cc1	ZINC000587351155	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](C(=O)O)(C2CC2)[C@H]1c1ccc(F)cc1	ZINC000587351164	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(C2CC2)[C@H]1c1ccc(F)cc1	ZINC000587351166	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](C(=O)O)(C2CC2)[C@@H]1c1ccc(F)cc1	ZINC000587351168	EG	Annotated	Anodyne	
CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351386	EG	Annotated	Anodyne	
CC[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351389	EG	Annotated	Anodyne	
CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587351393	EG	Annotated	Anodyne	
CC[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587351396	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2O)[C@H]1c1ccc(F)cc1	ZINC000587351493	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2O)[C@@H]1c1ccc(F)cc1	ZINC000587351497	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2O)[C@H]1c1ccc(F)cc1	ZINC000587351500	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2O)[C@@H]1c1ccc(F)cc1	ZINC000587351505	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCNCC2)[C@H]1c1ccc(F)cc1	ZINC000587352858	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCNCC2)[C@H]1c1ccc(F)cc1	ZINC000587352859	EG	Annotated	Anodyne	
CC(C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353074	EG	Annotated	Anodyne	
CC(C)[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353082	EG	Annotated	Anodyne	
CC(C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353083	EG	Annotated	Anodyne	
CC(C)[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353084	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCC2=O)[C@H]1c1ccc(F)cc1	ZINC000587353086	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCC2=O)[C@@H]1c1ccc(F)cc1	ZINC000587353091	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCC2=O)[C@@H]1c1ccc(F)cc1	ZINC000587353093	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCC2=O)[C@H]1c1ccc(F)cc1	ZINC000587353094	EG	Annotated	Anodyne	
CC[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353095	EG	Annotated	Anodyne	
CC[C@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353097	EG	Annotated	Anodyne	
CC[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353099	EG	Annotated	Anodyne	
CC[C@@]1(C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353102	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCNCC2)[C@@H]1c1ccc(F)cc1	ZINC000587353254	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCNCC2)[C@@H]1c1ccc(F)cc1	ZINC000587353257	EG	Annotated	Anodyne	
COC(OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353430	EG	Annotated	Anodyne	
COC(OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353431	EG	Annotated	Anodyne	
COC(OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587353432	EG	Annotated	Anodyne	
COC(OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587353433	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCOCC2)[C@H]1c1ccc(F)cc1	ZINC000587355946	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CCOCC2)[C@@H]1c1ccc(F)cc1	ZINC000587355947	EG	Annotated	Anodyne	
O=C(O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587356050	EG	Annotated	Anodyne	
O=C(O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587356051	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CC3(COC3)C2)[C@H]1c1ccc(F)cc1	ZINC000587356072	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CC3(COC3)C2)[C@@H]1c1ccc(F)cc1	ZINC000587356074	EG	Annotated	Anodyne	
C[C@@H]1OCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587357403	EG	Annotated	Anodyne	
C[C@@H]1OCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587357404	EG	Annotated	Anodyne	
C[C@@H]1OCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587357406	EG	Annotated	Anodyne	
C[C@@H]1OCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587357407	EG	Annotated	Anodyne	
COC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587357495	EG	Annotated	Anodyne	
COC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587357496	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCOC2)[C@H]1c1ccc(F)cc1	ZINC000587357758	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCOC2)[C@@H]1c1ccc(F)cc1	ZINC000587357761	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CCCOC2)[C@@H]1c1ccc(F)cc1	ZINC000587357763	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CCCOC2)[C@H]1c1ccc(F)cc1	ZINC000587357766	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CC=COC2=O)[C@@H]1c1ccc(F)cc1	ZINC000587357967	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(CC=COC2=O)[C@H]1c1ccc(F)cc1	ZINC000587357969	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC=COC2=O)[C@H]1c1ccc(F)cc1	ZINC000587357970	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(CC=COC2=O)[C@@H]1c1ccc(F)cc1	ZINC000587357973	EG	Annotated	Anodyne	
CC(C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587358067	EG	Annotated	Anodyne	
CC(C)(O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587358069	EG	Annotated	Anodyne	
CC(C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587358074	EG	Annotated	Anodyne	
CC(C)(O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587358077	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](CO)(C2CC2)[C@H]1c1ccc(F)cc1	ZINC000587359299	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](CO)(C2CC2)[C@@H]1c1ccc(F)cc1	ZINC000587359303	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@](CO)(C2CC2)[C@@H]1c1ccc(F)cc1	ZINC000587359306	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@](CO)(C2CC2)[C@H]1c1ccc(F)cc1	ZINC000587359307	EG	Annotated	Anodyne	
CC(C)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359330	EG	Annotated	Anodyne	
CC(C)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359338	EG	Annotated	Anodyne	
CC(C)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359346	EG	Annotated	Anodyne	
CC(C)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359349	EG	Annotated	Anodyne	
CC1(CO)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	ZINC000587359443	EG	Annotated	Anodyne	
CC1(CO)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	ZINC000587359445	EG	Annotated	Anodyne	
C[C@H](O)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359790	EG	Annotated	Anodyne	
C[C@H](O)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359791	EG	Annotated	Anodyne	
C[C@H](O)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	ZINC000587359792	EG	Annotated	Anodyne	
C[C@H](O)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	ZINC000587359793	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CC(CO)C2)[C@@H]1c1ccc(F)cc1	ZINC000587359809	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2OC2(CC(CO)C2)[C@H]1c1ccc(F)cc1	ZINC000587359810	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCO[C@@H]32)[C@H]1c1ccc(F)cc1	ZINC000587361519	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCO[C@@H]32)[C@@H]1c1ccc(F)cc1	ZINC000587361521	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCO[C@@H]32)[C@@H]1c1ccc(F)cc1	ZINC000587361523	EG	Annotated	Anodyne	
O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCO[C@@H]32)[C@H]1c1ccc(F)cc1	ZINC000587361525	EG	Annotated	Anodyne	
Cc1ccc(Br)c2c1-c1nc3nc(O)nc(O)c3cc1C2	ZINC000587365204	EG	Annotated	Anodyne	
Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1Br	ZINC000587365301	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(CCBr)cc3)nc2n1	ZINC000587365590	EG	Annotated	Reactive	
Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1Br	ZINC000587365657	EG	Annotated	Anodyne	
CCCCCc1cc2c(O)nc(O)nc2nc1CBr	ZINC000587365681	EG	Annotated	Reactive	
Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Br	ZINC000587365700	EG	Annotated	Anodyne	
Cc1cc2c(O)nc(O)nc2nc1-c1cccc(Br)c1	ZINC000587365745	EG	Annotated	Anodyne	
Cc1cc(-c2nc3nc(O)nc(O)c3cc2C)ccc1Br	ZINC000587365979	EG	Annotated	Anodyne	
Cc1cc(Br)ccc1-c1ccc2c(O)nc(O)nc2n1	ZINC000587366195	EG	Annotated	Anodyne	
C[C@H]1c2cc3c(O)nc(O)nc3nc2-c2cccc(Br)c21	ZINC000587366474	EG	Annotated	Anodyne	
C[C@@H]1c2cc3c(O)nc(O)nc3nc2-c2cccc(Br)c21	ZINC000587366475	EG	Annotated	Anodyne	
Oc1nc(O)c2cc(CC3CCCC3)c(CBr)nc2n1	ZINC000587366671	EG	Annotated	Reactive	
Cc1c(Br)cccc1Cc1cnc2nc(O)nc(O)c2c1	ZINC000587366845	EG	Annotated	Anodyne	
Cc1ccc(Br)c(-c2ccc3c(O)nc(O)nc3n2)c1	ZINC000587366903	EG	Annotated	Anodyne	
Cc1cc2c(O)nc(O)nc2nc1Cc1ccccc1Br	ZINC000587366937	EG	Annotated	Anodyne	
Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(Br)cc1	ZINC000587367529	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(/C=C/c3cccc(Br)c3)nc2n1	ZINC000587367530	EG	Annotated	Anodyne	
Cc1cc(Br)cc(-c2ccc3c(O)nc(O)nc3n2)c1	ZINC000587367535	EG	Annotated	Anodyne	
Cc1cc(Br)cc2c1-c1nc3nc(O)nc(O)c3cc1C2	ZINC000587367542	EG	Annotated	Anodyne	
C=C(Cl)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	ZINC000587367581	EG	Annotated	Mild	
Oc1nc(O)c2ccc([C@@H]3C[C@@H]3c3c(F)cccc3Cl)nc2n1	ZINC000587367907	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc([C@H]3C[C@H]3c3c(F)cccc3Cl)nc2n1	ZINC000587367908	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc([C@H]3C[C@@H]3c3c(F)cccc3Cl)nc2n1	ZINC000587367909	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc([C@@H]3C[C@H]3c3c(F)cccc3Cl)nc2n1	ZINC000587367910	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(F)cc3Br)nc2n1	ZINC000587367945	EG	Annotated	Anodyne	
Cc1nc2nc(O)nc(O)c2cc1Cc1cccc(C(F)(F)F)c1	ZINC000587367947	EG	Annotated	Anodyne	
Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OCC(F)F)cc1	ZINC000587367969	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)nc2n1	ZINC000587367972	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3c(F)cccc3Br)nc2n1	ZINC000587367997	EG	Annotated	Anodyne	
COc1ccc([C@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1F	ZINC000587368004	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CCCc3cc4c(O)nc(O)nc4nc32)cc1F	ZINC000587368005	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(F)cc(C(F)(F)F)c3)nc2n1	ZINC000587368020	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(C(F)(F)F)ccc3F)nc2n1	ZINC000587368025	EG	Annotated	Anodyne	
COc1c(Cl)cc(Cl)cc1-c1ccc2c(O)nc(O)nc2n1	ZINC000587368052	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(F)c(C(F)(F)F)c3F)nc2n1	ZINC000587368066	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(SCC(F)F)cc3)nc2n1	ZINC000587368111	EG	Annotated	Anodyne	
Oc1nc(O)c2cc(CCc3cccc(C(F)(F)F)c3)cnc2n1	ZINC000587368121	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)cc3F)nc2n1	ZINC000587368140	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(F)c(Br)c3)nc2n1	ZINC000587368148	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(CCc3cccc(C(F)(F)F)c3)nc2n1	ZINC000587368151	EG	Annotated	Anodyne	
COc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(C(F)(F)F)c1	ZINC000587368153	EG	Annotated	Anodyne	
CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CCl	ZINC000587368201	EG	Annotated	Reactive	
Oc1nc(O)c2cc3c(nc2n1)CC[C@H](c1ccc(Cl)cc1)C3	ZINC000587368269	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)CC[C@@H](c1ccc(Cl)cc1)C3	ZINC000587368272	EG	Annotated	Anodyne	
CN(C)/C=C(/c1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1	ZINC000587368292	EG	Annotated	Anodyne	
CN(C)/C=C(\c1ccc(Cl)cc1)c1ccc2c(O)nc(O)nc2n1	ZINC000587368293	EG	Annotated	Anodyne	
Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Cl)c1O	ZINC000587368308	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1ccc(C(F)(F)F)cc1	ZINC000587368334	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1ccc(C(F)(F)F)cc1	ZINC000587368336	EG	Annotated	Anodyne	
Oc1nc(O)c2cc(Cc3ccccc3)c(C(F)(F)Cl)nc2n1	ZINC000587368349	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cccc(Br)c3F)nc2n1	ZINC000587368350	EG	Annotated	Anodyne	
Oc1nc(O)c2cc(Cc3cccc(F)c3C(F)(F)F)cnc2n1	ZINC000587368450	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(CCc3ccc(C(F)(F)F)cc3)nc2n1	ZINC000587368454	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(F)cc3C(F)(F)F)nc2n1	ZINC000587368488	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(N4CCCCC4)c(F)c3)nc2n1	ZINC000587368510	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(Br)ccc3F)nc2n1	ZINC000587368521	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)c(F)c3)nc2n1	ZINC000587368593	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)C[C@H](c1ccc(C(F)(F)F)cc1)C3	ZINC000587368619	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)C[C@@H](c1ccc(C(F)(F)F)cc1)C3	ZINC000587368620	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(F)ccc3Br)nc2n1	ZINC000587368655	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3c(F)cccc3C(F)(F)F)nc2n1	ZINC000587368857	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)nc2n1	ZINC000587368880	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(Br)c(F)c3)nc2n1	ZINC000587368946	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(F)cc(Br)c3)nc2n1	ZINC000587368956	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(Br)cc3F)nc2n1	ZINC000587368966	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cccc(F)c3Br)nc2n1	ZINC000587368968	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cccc(OC(F)(F)F)c3F)nc2n1	ZINC000587369021	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(-c4ccc(Cl)cc4)no3)nc2n1	ZINC000587369054	EG	Annotated	Anodyne	
Cc1cc2c(O)nc(O)nc2nc1-c1cc(Cl)cc(Cl)c1O	ZINC000587369118	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(Cl)cc(CCl)c3O)nc2n1	ZINC000587369119	EG	Annotated	Reactive	
Cc1cc(OCCc2cc3c(O)nc(O)nc3nc2C)ccc1Cl	ZINC000587369257	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)nc2n1	ZINC000587369301	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)-c1[nH]c2ccc(Cl)cc2c1CC3	ZINC000587369312	EG	Annotated	Anodyne	
Cc1nc(-c2ccc(F)cc2)oc1-c1ccc2c(O)nc(O)nc2n1	ZINC000587369863	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccnc1)O2	ZINC000587370395	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccnc1)O2	ZINC000587370398	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Br)cn1)O2	ZINC000587371234	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Br)cn1)O2	ZINC000587371238	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccn1)O2	ZINC000587371255	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccn1)O2	ZINC000587371256	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(Br)c1)O2	ZINC000587371614	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc(Br)c1)O2	ZINC000587371617	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(O)c(O)c1)O2	ZINC000587371971	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(O)c(O)c1)O2	ZINC000587371972	EG	Annotated	Reactive	
CCOC(=O)C(Cl)(Cl)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587372740	EG	Annotated	Anodyne	
CCOC(=O)C(Cl)(Cl)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587372756	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Br)c1N)O2	ZINC000587372821	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Br)c1N)O2	ZINC000587372824	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)nc1)O2	ZINC000587372861	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)nc1)O2	ZINC000587372863	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)O)oc1C)O2	ZINC000587373147	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)O)oc1C)O2	ZINC000587373154	EG	Annotated	Reactive	
COC(=O)c1coc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587373423	EG	Annotated	Reactive	
COC(=O)c1coc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587373426	EG	Annotated	Reactive	
COC1=C(Br)[C@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2	ZINC000587373447	EG	Annotated	Anodyne	
COC1=C(Br)[C@@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2	ZINC000587373448	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1Br)O2	ZINC000587373600	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1Br)O2	ZINC000587373603	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Br)c1)O2	ZINC000587373987	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1N)O2	ZINC000587374024	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1N)O2	ZINC000587374025	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cn1)O2	ZINC000587374079	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cn1)O2	ZINC000587374081	EG	Annotated	Anodyne	
COc1ccc([C@]2(CO)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	ZINC000587374099	EG	Annotated	Anodyne	
COc1ccc([C@@]2(CO)CC(=O)c3cc(C)cc(N)c3O2)cc1Cl	ZINC000587374100	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Br)c1)O2	ZINC000587374174	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)n1)O2	ZINC000587374300	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)n1)O2	ZINC000587374301	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1Br)O2	ZINC000587374445	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1Br)O2	ZINC000587374446	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Br)cc1N)O2	ZINC000587374481	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Br)cc1N)O2	ZINC000587374482	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncccc1Br)O2	ZINC000587374978	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncccc1Br)O2	ZINC000587374979	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N)c(Br)c1)O2	ZINC000587375025	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N)c(Br)c1)O2	ZINC000587375026	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncncc1Br)O2	ZINC000587375132	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncncc1Br)O2	ZINC000587375134	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c(C)c1Br)O2	ZINC000587376131	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c(C)c1Br)O2	ZINC000587376133	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(CCCl)c1C)O2	ZINC000587376278	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(CCCl)c1C)O2	ZINC000587376282	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(C(=O)O)O2	ZINC000587376427	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(C(=O)O)O2	ZINC000587376428	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(C)c(Cl)c1C)O2	ZINC000587376519	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(C)c(Cl)c1C)O2	ZINC000587376536	EG	Annotated	Anodyne	
COC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376635	EG	Annotated	Anodyne	
COC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376643	EG	Annotated	Anodyne	
COC(C)(C)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376858	EG	Annotated	Reactive	
COC(C)(C)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587376866	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cc(Cl)ccn1)O2	ZINC000587377025	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cc(Cl)ccn1)O2	ZINC000587377026	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)ccnc1N(C)C)O2	ZINC000587377264	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)ccnc1N(C)C)O2	ZINC000587377267	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)([C@@H](C)O)O2	ZINC000587377389	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)([C@H](C)O)O2	ZINC000587377390	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)([C@H](C)O)O2	ZINC000587377391	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)([C@@H](C)O)O2	ZINC000587377392	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccccc1Cl)O2	ZINC000587377407	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccccc1Cl)O2	ZINC000587377408	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(cc1Cl)OCCO3)O2	ZINC000587377419	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(cc1Cl)OCCO3)O2	ZINC000587377420	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(O)c(Br)c1)O2	ZINC000587378333	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(O)c(Br)c1)O2	ZINC000587378339	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)nc1Cl)O2	ZINC000587378385	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)nc1Cl)O2	ZINC000587378386	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cccc(Cl)c21	ZINC000587378393	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cccc(Cl)c21	ZINC000587378396	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(Cl)cc21	ZINC000587378413	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(Cl)cc21	ZINC000587378416	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(Cl)c2C	ZINC000587378451	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)ccc(C)c21	ZINC000587378581	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)ccc(C)c21	ZINC000587378582	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(Cl)c2C	ZINC000587378606	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cc(C)cc21	ZINC000587378619	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cc(C)cc21	ZINC000587378621	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(C)nc1N(C)C)O2	ZINC000587378706	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(C)nc1N(C)C)O2	ZINC000587378713	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ncnc(Cl)c3n1C)O2	ZINC000587378906	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ncnc(Cl)c3n1C)O2	ZINC000587378914	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)cc(Cl)cc21	ZINC000587378915	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)cc(Cl)cc21	ZINC000587378917	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)cccc21	ZINC000587379178	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)cccc21	ZINC000587379181	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3[nH]cnc(Cl)c1-3)O2	ZINC000587379280	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3[nH]cnc(Cl)c1-3)O2	ZINC000587379282	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)cnc1C(=O)O)O2	ZINC000587379316	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)cnc1C(=O)O)O2	ZINC000587379318	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(Cl)cc1)O2	ZINC000587379558	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(Cl)cc1)O2	ZINC000587379560	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](Cc1c(Cl)ncnc1Cl)O2	ZINC000587379579	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](Cc1c(Cl)ncnc1Cl)O2	ZINC000587379581	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1N(C)C)O2	ZINC000587379738	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1N(C)C)O2	ZINC000587379741	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cnc1Cl	ZINC000587380063	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cnc1Cl	ZINC000587380064	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc3[nH]c(=N)oc13)O2	ZINC000587380166	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc3[nH]c(=N)oc13)O2	ZINC000587380167	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ncc1C(=O)O)O2	ZINC000587380168	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ncc1C(=O)O)O2	ZINC000587380171	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cnc3c1OCCO3)O2	ZINC000587380267	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cnc3c1OCCO3)O2	ZINC000587380268	EG	Annotated	Anodyne	
COc1ncc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC	ZINC000587380328	EG	Annotated	Anodyne	
COc1ncc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC	ZINC000587380333	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)nc(Cl)n1C)O2	ZINC000587380379	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)nc(Cl)n1C)O2	ZINC000587380381	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(Cl)ccc21	ZINC000587380412	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(Cl)ccc21	ZINC000587380413	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2ccc(Cl)cc21	ZINC000587380416	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2ccc(Cl)cc21	ZINC000587380417	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C)ccc(Cl)c21	ZINC000587380508	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C)ccc(Cl)c21	ZINC000587380509	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2c(Cl)cccc21	ZINC000587380514	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2c(Cl)cccc21	ZINC000587380515	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc([N+](=O)[O-])c1F)O2	ZINC000587380654	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)O2	ZINC000587380658	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc([N+](=O)[O-])cc1F)O2	ZINC000587380739	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc([N+](=O)[O-])cc1F)O2	ZINC000587380740	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)O2	ZINC000587380757	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(F)cc1F)O2	ZINC000587380759	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)nn1C)O2	ZINC000587380812	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)nn1C)O2	ZINC000587380813	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)n(C)n1)O2	ZINC000587380915	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1F	ZINC000587380931	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1F	ZINC000587380934	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCNc3nc(Cl)ccc31)O2	ZINC000587380941	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)n(C)n1)O2	ZINC000587380942	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCNc3nc(Cl)ccc31)O2	ZINC000587380943	EG	Annotated	Anodyne	
COC[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587380978	EG	Annotated	Anodyne	
COC[C@]1(c2ccc(F)c(F)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587380981	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]cnc(Cl)c1-3)O2	ZINC000587380997	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]cnc(Cl)c1-3)O2	ZINC000587380999	EG	Annotated	Anodyne	
COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O	ZINC000587381002	EG	Annotated	Anodyne	
COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(F)cc1O	ZINC000587381005	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)ccc(F)c1C(=O)O)O2	ZINC000587381038	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)ccc(F)c1C(=O)O)O2	ZINC000587381039	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3ccc(Cl)cc31)O2	ZINC000587381068	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3ccc(Cl)cc31)O2	ZINC000587381072	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1C)O2	ZINC000587381175	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1C)O2	ZINC000587381179	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]c(Cl)ncc1-3)O2	ZINC000587381194	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]c(Cl)ncc1-3)O2	ZINC000587381197	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3ccc(Cl)nn13)O2	ZINC000587381212	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3ccc(Cl)nn13)O2	ZINC000587381215	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(C#N)c1N(C)C)O2	ZINC000587381310	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(C#N)c1N(C)C)O2	ZINC000587381311	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(C#N)cc1F)O2	ZINC000587381349	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(C#N)cc1F)O2	ZINC000587381350	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(=O)O)c(F)c1)O2	ZINC000587381375	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(=O)O)c(F)c1)O2	ZINC000587381376	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587381444	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587381445	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncc3c(Cl)n[nH]c13)O2	ZINC000587381734	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc3c(Cl)n[nH]c13)O2	ZINC000587381735	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3n[nH]c(Cl)c3c1)O2	ZINC000587381783	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3n[nH]c(Cl)c3c1)O2	ZINC000587381784	EG	Annotated	Anodyne	
COC(=O)c1ccc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587381888	EG	Annotated	Anodyne	
COC(=O)c1ccc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587381889	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1ccc(C(F)(F)F)n1)O2	ZINC000587381907	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1ccc(C(F)(F)F)n1)O2	ZINC000587381912	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CCC(F)(F)F)CC1)O2	ZINC000587382015	EG	Annotated	Anodyne	
COc1cc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587382181	EG	Annotated	Anodyne	
COc1cc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587382182	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)c([N+](=O)[O-])cc1F)O2	ZINC000587382393	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)c([N+](=O)[O-])cc1F)O2	ZINC000587382394	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)nn1C)O2	ZINC000587382543	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)nn1C)O2	ZINC000587382544	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1C(F)(F)F)O2	ZINC000587382817	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1C(F)(F)F)O2	ZINC000587382818	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc([N+](=O)[O-])c1O)O2	ZINC000587383004	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc([N+](=O)[O-])c1O)O2	ZINC000587383007	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]nc(C(F)(F)F)c1C)O2	ZINC000587383015	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]nc(C(F)(F)F)c1C)O2	ZINC000587383019	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccn1CC(F)(F)F)O2	ZINC000587383035	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(C)nn(C)c1C)(C(F)F)O2	ZINC000587383036	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1CC(F)(F)F)O2	ZINC000587383037	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(C)nn(C)c1C)(C(F)F)O2	ZINC000587383044	EG	Annotated	Anodyne	
CCOC(=O)[C@H](F)[C@@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587383118	EG	Annotated	Anodyne	
CCOC(=O)[C@H](F)[C@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587383121	EG	Annotated	Anodyne	
CCOC(=O)[C@H](F)[C@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587383122	EG	Annotated	Anodyne	
CCOC(=O)[C@H](F)[C@@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587383123	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c(C#N)c1F)O2	ZINC000587383172	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c(C#N)c1F)O2	ZINC000587383173	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(N)c(F)c1F)O2	ZINC000587383192	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(N)c(F)c1F)O2	ZINC000587383193	EG	Annotated	Anodyne	
CCn1cc([C@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	ZINC000587383209	EG	Annotated	Anodyne	
CCn1cc([C@@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	ZINC000587383218	EG	Annotated	Anodyne	
CCn1ncc([C@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587383298	EG	Annotated	Anodyne	
CCn1ncc([C@@]2(C(F)F)CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587383299	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(CC(F)(F)F)c1)O2	ZINC000587383463	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(CC(F)(F)F)c1)O2	ZINC000587383466	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ncccn1)O2	ZINC000587383514	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ncccn1)O2	ZINC000587383517	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C)c1C(F)(F)F)O2	ZINC000587383620	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C)c1C(F)(F)F)O2	ZINC000587383622	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(CC(F)(F)F)n1)O2	ZINC000587383669	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(CC(F)(F)F)n1)O2	ZINC000587383671	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccc(F)cc21	ZINC000587383765	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2ccc(F)cc21	ZINC000587383766	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3ccc(F)cc3[nH]1)O2	ZINC000587383767	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3ccc(F)cc3[nH]1)O2	ZINC000587383768	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(c3ccc(F)cc3)C1)O2	ZINC000587383773	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(c3ccc(F)cc3)C1)O2	ZINC000587383774	EG	Annotated	Anodyne	
COc1ccc([C@]2([C@@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587383875	EG	Annotated	Mild	
COc1ccc([C@@]2([C@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587383880	EG	Annotated	Mild	
COc1ccc([C@]2([C@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587383881	EG	Annotated	Mild	
COc1ccc([C@@]2([C@@H](F)C#N)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587383882	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)Nc3ccc(F)cc31)O2	ZINC000587383992	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)Nc3ccc(F)cc31)O2	ZINC000587383993	EG	Annotated	Anodyne	
COC(=O)c1cc(F)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587384141	EG	Annotated	Anodyne	
COC(=O)c1cc(F)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587384142	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)cnc1N)O2	ZINC000587384276	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)cnc1N)O2	ZINC000587384277	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(F)cc1)O2	ZINC000587384306	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(F)cc1)O2	ZINC000587384307	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ncc[nH]1)O2	ZINC000587384330	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ncc[nH]1)O2	ZINC000587384331	EG	Annotated	Anodyne	
COC(=O)C[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384370	EG	Annotated	Anodyne	
COC(=O)C[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384371	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cnn3C)cc1F)O2	ZINC000587384398	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cnn3C)cc1F)O2	ZINC000587384399	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1F)O2	ZINC000587384447	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1F)O2	ZINC000587384448	EG	Annotated	Anodyne	
COC(=O)C[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384453	EG	Annotated	Anodyne	
COC(=O)C[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384454	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)c(Cl)cc21	ZINC000587384561	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)c(Cl)cc21	ZINC000587384562	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384672	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccccc2F)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384673	EG	Annotated	Anodyne	
COc1cc(F)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384848	EG	Annotated	Anodyne	
COc1cc(F)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587384849	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cnccn1)O2	ZINC000587384926	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cnccn1)O2	ZINC000587384927	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)O2	ZINC000587384943	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)O2	ZINC000587384953	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)O2	ZINC000587384954	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)O2	ZINC000587384955	EG	Annotated	Anodyne	
CC(=O)N(C)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587384969	EG	Annotated	Anodyne	
CC(=O)N(C)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587384972	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc3c1OCOC3)O2	ZINC000587384979	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc3c1OCOC3)O2	ZINC000587384981	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(F)cc1)O2	ZINC000587385386	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(F)cc1)O2	ZINC000587385394	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@]1(c3cccc(F)c3)CCOC1)O2	ZINC000587385448	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@]1(c3cccc(F)c3)CCOC1)O2	ZINC000587385460	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@]1(c3cccc(F)c3)CCOC1)O2	ZINC000587385462	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@]1(c3cccc(F)c3)CCOC1)O2	ZINC000587385464	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC#N	ZINC000587385473	EG	Annotated	Mild	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC#N	ZINC000587385480	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)Cl)(c1ccc(F)cc1)O2	ZINC000587385627	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)Cl)(c1ccc(F)cc1)O2	ZINC000587385635	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(Cl)ccc(F)c21	ZINC000587385645	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(Cl)ccc(F)c21	ZINC000587385647	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(F)ccc(F)c31)O2	ZINC000587385738	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(F)ccc(F)c31)O2	ZINC000587385743	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@H](CC#N)C[C@H]31)O2	ZINC000587385746	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@H](CC#N)C[C@@H]31)O2	ZINC000587385750	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@@H](CC#N)C[C@H]31)O2	ZINC000587385757	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3O[C@@H](CC#N)C[C@@H]31)O2	ZINC000587385761	EG	Annotated	Mild	
COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1	ZINC000587385779	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(F)c1	ZINC000587385781	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587385820	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587385822	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)NC(=O)OC(C)(C)C)O2	ZINC000587385826	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)NC(=O)OC(C)(C)C)O2	ZINC000587385828	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(F)cc3)n1)O2	ZINC000587385848	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(F)cc3)n1)O2	ZINC000587385854	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(O)c(F)cc31)O2	ZINC000587385871	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(O)c(F)cc31)O2	ZINC000587385875	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN(C)C)cc1)O2	ZINC000587385957	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN(C)C)cc1)O2	ZINC000587385959	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c1ccc(O)c3F)O2	ZINC000587386065	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c1ccc(O)c3F)O2	ZINC000587386067	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(F)cc(Cl)cc21	ZINC000587386125	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(F)cc(Cl)cc21	ZINC000587386126	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587386181	EG	Annotated	Mild	
CCOC(=O)[C@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587386187	EG	Annotated	Mild	
CCOC(=O)[C@H](C#N)[C@@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587386189	EG	Annotated	Mild	
CCOC(=O)[C@@H](C#N)[C@]1(C(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587386191	EG	Annotated	Mild	
C/C(=C\[C@@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587386279	EG	Annotated	Anodyne	
C/C(=C\[C@]1(c2ccccn2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587386289	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)F)cc1)O2	ZINC000587386379	EG	Annotated	Unstable	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)F)cc1)O2	ZINC000587386391	EG	Annotated	Unstable	
CC(=O)OC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587386413	EG	Annotated	Anodyne	
CC(=O)OC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587386414	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2cc(F)cc(Cl)c21	ZINC000587386437	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2cc(F)cc(Cl)c21	ZINC000587386438	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(F)c1)O2	ZINC000587386453	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(F)c1)O2	ZINC000587386455	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c1ccc(Cl)c2F	ZINC000587386764	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c1ccc(Cl)c2F	ZINC000587386767	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)OC(C)(C)C)(C1CC1)O2	ZINC000587386778	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)OC(C)(C)C)(C1CC1)O2	ZINC000587386779	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F	ZINC000587386889	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F	ZINC000587386890	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(F)cc(F)cc31)O2	ZINC000587386965	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(F)cc(F)cc31)O2	ZINC000587386966	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)c[nH]c3nccc1-3)O2	ZINC000587386992	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)c[nH]c3nccc1-3)O2	ZINC000587386994	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3cccc(F)n3)CC1)O2	ZINC000587387062	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)NC(C)C)cc1)O2	ZINC000587387080	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)NC(C)C)cc1)O2	ZINC000587387081	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCN(C)C)O2	ZINC000587387132	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCN(C)C)O2	ZINC000587387134	EG	Annotated	Anodyne	
CN[C@@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587387204	EG	Annotated	Anodyne	
CN[C@@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587387205	EG	Annotated	Anodyne	
CN[C@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587387206	EG	Annotated	Anodyne	
CN[C@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587387207	EG	Annotated	Anodyne	
COc1ccc(OCC#N)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587387266	EG	Annotated	Mild	
COc1ccc(OCC#N)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587387267	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(CN(C)C)c1)O2	ZINC000587387342	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(CN(C)C)c1)O2	ZINC000587387343	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)NCc1ccccc1)O2	ZINC000587387387	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)NCc1ccccc1)O2	ZINC000587387389	EG	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC#N)c1	ZINC000587387465	EG	Annotated	Mild	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC#N)c1	ZINC000587387466	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)nc(N3CCCC3)c1)O2	ZINC000587387469	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)nc(N3CCCC3)c1)O2	ZINC000587387474	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(F)cc(F)c31)O2	ZINC000587387507	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(F)cc(F)c31)O2	ZINC000587387508	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](N=O)C2	ZINC000587387659	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](N=O)C2	ZINC000587387660	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](N=O)C2	ZINC000587387661	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](N=O)C2	ZINC000587387662	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)CC(=O)/C1=C\N(C)C)O2	ZINC000587387712	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)CC(=O)/C1=C/N(C)C)O2	ZINC000587387713	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)CC(=O)/C1=C/N(C)C)O2	ZINC000587387794	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)CC(=O)/C1=C\N(C)C)O2	ZINC000587387795	EG	Annotated	Mild	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN(C)C	ZINC000587387866	EG	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN(C)C	ZINC000587387868	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(=O)N(C)C)O2	ZINC000587387886	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(=O)N(C)C)O2	ZINC000587387888	EG	Annotated	Anodyne	
CC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587387911	EG	Annotated	Anodyne	
CC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587387912	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(CN=O)=COc2ccccc21	ZINC000587387941	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(CN=O)=COc2ccccc21	ZINC000587387943	EG	Annotated	Anodyne	
COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC#N	ZINC000587388000	EG	Annotated	Mild	
COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCC#N	ZINC000587388001	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)nc1F)O2	ZINC000587388034	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)nc1F)O2	ZINC000587388035	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc3c(c1)OCO3)O2	ZINC000587388036	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc3c(c1)OCO3)O2	ZINC000587388037	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N(C)c1ccccc1)O2	ZINC000587388089	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N(C)c1ccccc1)O2	ZINC000587388090	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCNC(=O)OC(C)(C)C)O2	ZINC000587388105	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCNC(=O)OC(C)(C)C)O2	ZINC000587388106	EG	Annotated	Anodyne	
COC(=O)N(C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1	ZINC000587388111	EG	Annotated	Anodyne	
COC(=O)N(C[C@H]1CC(=O)c2cc(C)cc(N)c2O1)c1ccccc1	ZINC000587388112	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CC(CNC(=O)OC(C)(C)C)C1)O2	ZINC000587388128	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCN(C)C)c1)O2	ZINC000587388202	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCN(C)C)c1)O2	ZINC000587388203	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)(NC(=O)OC(C)(C)C)C1)O2	ZINC000587388264	EG	Annotated	Anodyne	
Cc1ccnc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587388357	EG	Annotated	Anodyne	
Cc1ccnc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587388358	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc([N+](=O)[O-])ccc31)O2	ZINC000587388397	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc([N+](=O)[O-])ccc31)O2	ZINC000587388401	EG	Annotated	Bother	
COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-]	ZINC000587388408	EG	Annotated	Bother	
COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-]	ZINC000587388409	EG	Annotated	Bother	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1	ZINC000587388439	EG	Annotated	Bother	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])c1	ZINC000587388441	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c([N+](=O)[O-])cccc1[N+](=O)[O-])O2	ZINC000587388457	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c([N+](=O)[O-])cccc1[N+](=O)[O-])O2	ZINC000587388458	EG	Annotated	Bother	
CC(=O)Nc1ccc2c(c1)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587388500	EG	Annotated	Anodyne	
CC(=O)Nc1ccc2c(c1)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587388501	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)cc1[N+](=O)[O-])O2	ZINC000587388612	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)cc1[N+](=O)[O-])O2	ZINC000587388617	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccc(N)cc1)O2	ZINC000587388637	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccc(N)cc1)O2	ZINC000587388638	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c([N+](=O)[O-])c1)O2	ZINC000587388689	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c([N+](=O)[O-])c1)O2	ZINC000587388690	EG	Annotated	Bother	
C=CCOC(=O)NC1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2	ZINC000587388763	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1ccc([N+](=O)[O-])cc1)O2	ZINC000587388913	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1ccc([N+](=O)[O-])cc1)O2	ZINC000587388917	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1ccccc1N)O2	ZINC000587389044	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1ccccc1N)O2	ZINC000587389046	EG	Annotated	Anodyne	
COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587389096	EG	Annotated	Bother	
COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587389099	EG	Annotated	Bother	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587389109	EG	Annotated	Bother	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587389111	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(C)cc1[N+](=O)[O-])O2	ZINC000587389113	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(C)cc1[N+](=O)[O-])O2	ZINC000587389117	EG	Annotated	Bother	
COc1ccc2c(c1)nc([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C	ZINC000587389128	EG	Annotated	Anodyne	
COc1ccc2c(c1)nc([C@H]1CC(=O)c3cc(C)cc(N)c3O1)n2C	ZINC000587389131	EG	Annotated	Anodyne	
CO[C@@H](C)c1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389140	EG	Annotated	Anodyne	
CO[C@@H](C)c1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389144	EG	Annotated	Anodyne	
CO[C@H](C)c1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389146	EG	Annotated	Anodyne	
CO[C@H](C)c1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389149	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C=O)c([N+](=O)[O-])c1)O2	ZINC000587389164	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C=O)c([N+](=O)[O-])c1)O2	ZINC000587389169	EG	Annotated	Bother	
COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587389170	EG	Annotated	Bother	
COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587389171	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)cc3[nH]c(=N)oc13)O2	ZINC000587389273	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)cc3[nH]c(=N)oc13)O2	ZINC000587389274	EG	Annotated	Anodyne	
COc1ccc(-n2ccnc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389310	EG	Annotated	Anodyne	
COc1ccc(-n2ccnc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587389311	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1nc(C)cc(C)n1)O2	ZINC000587389318	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1nc(C)cc(C)n1)O2	ZINC000587389319	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cncn3)c(C)c1)O2	ZINC000587389382	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cncn3)c(C)c1)O2	ZINC000587389394	EG	Annotated	Anodyne	
COc1ccc(-n2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1	ZINC000587389395	EG	Annotated	Anodyne	
COc1ccc(-n2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1	ZINC000587389396	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC[N+](=O)[O-])(c1ccccc1)O2	ZINC000587389425	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC[N+](=O)[O-])(c1ccccc1)O2	ZINC000587389445	EG	Annotated	Bother	
COc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587389446	EG	Annotated	Bother	
COc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587389448	EG	Annotated	Bother	
CCCOc1ccccc1[C@@]1(CN)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587389454	EG	Annotated	Anodyne	
CCCOc1ccccc1[C@]1(CN)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587389462	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(C)n1)O2	ZINC000587389474	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(C)n1)O2	ZINC000587389475	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(C(=O)OC(C)(C)C)c1)O2	ZINC000587389485	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(C(=O)OC(C)(C)C)c1)O2	ZINC000587389493	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(-c3ccccc3)nn1)O2	ZINC000587389495	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(-c3ccccc3)nn1)O2	ZINC000587389502	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(C)C)nn(C)c1N(C)C)O2	ZINC000587389524	EG	Annotated	Anodyne	
CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1N	ZINC000587389538	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(C)C)nn(C)c1N(C)C)O2	ZINC000587389539	EG	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1N	ZINC000587389547	EG	Annotated	Anodyne	
COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-]	ZINC000587389610	EG	Annotated	Bother	
COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-]	ZINC000587389612	EG	Annotated	Bother	
CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1	ZINC000587389621	EG	Annotated	Bother	
CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c([N+](=O)[O-])c1	ZINC000587389623	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-n3cccn3)c(C)c1)O2	ZINC000587389624	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-]	ZINC000587389625	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-n3cccn3)c(C)c1)O2	ZINC000587389626	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1[N+](=O)[O-]	ZINC000587389627	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)O2	ZINC000587389669	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)O2	ZINC000587389670	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3nccn3C)C1)O2	ZINC000587389740	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3nccn3C)C1)O2	ZINC000587389741	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3nccn3C)C1)O2	ZINC000587389742	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3nccn3C)C1)O2	ZINC000587389743	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)O2	ZINC000587389818	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([N+](=O)[O-])c(C#N)c1)O2	ZINC000587389820	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ncccc1C)O2	ZINC000587389826	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ncccc1C)O2	ZINC000587389827	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1cccnc1)O2	ZINC000587389856	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc([N+](=O)[O-])cc31)O2	ZINC000587389863	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc([N+](=O)[O-])cc31)O2	ZINC000587389865	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1cccnc1)O2	ZINC000587389869	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cnc(=N)[nH]c1)O2	ZINC000587389891	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cnc(=N)[nH]c1)O2	ZINC000587389893	EG	Annotated	Anodyne	
COCCn1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587390024	EG	Annotated	Anodyne	
COCCn1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587390026	EG	Annotated	Anodyne	
COc1cc(N)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587390049	EG	Annotated	Anodyne	
COc1cc(N)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587390060	EG	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587390185	EG	Annotated	Anodyne	
COc1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587390188	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(CCN)c3ccccc13)O2	ZINC000587390198	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(CCN)c3ccccc13)O2	ZINC000587390199	EG	Annotated	Anodyne	
COc1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(C)C)nn1C	ZINC000587390303	EG	Annotated	Anodyne	
COc1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(C)C)nn1C	ZINC000587390305	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(c1cccn1C)(c1cccn1C)O2	ZINC000587390306	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1Cn1cncn1)O2	ZINC000587390408	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1Cn1cncn1)O2	ZINC000587390414	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1Cn1cncn1)O2	ZINC000587390420	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1Cn1cncn1)O2	ZINC000587390423	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)O2	ZINC000587390497	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)O2	ZINC000587390502	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(O)c1[N+](=O)[O-])O2	ZINC000587390567	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(O)c1[N+](=O)[O-])O2	ZINC000587390569	EG	Annotated	Bother	
CC(=O)Nc1cccc2c1[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587390625	EG	Annotated	Anodyne	
CC(=O)Nc1cccc2c1[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587390626	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1-n1ccnn1)O2	ZINC000587390724	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1-n1ccnn1)O2	ZINC000587390725	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N(C)C)O2	ZINC000587390827	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N(C)C)O2	ZINC000587390828	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccccc1[N+](=O)[O-])O2	ZINC000587390934	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccccc1[N+](=O)[O-])O2	ZINC000587390935	EG	Annotated	Bother	
COc1cc([N+](=O)[O-])ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587390948	EG	Annotated	Bother	
COc1cc([N+](=O)[O-])ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587390949	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3ccc([N+](=O)[O-])cc31)O2	ZINC000587390980	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3ccc([N+](=O)[O-])cc31)O2	ZINC000587390981	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccncc3)nc1C)O2	ZINC000587391200	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccncc3)nc1C)O2	ZINC000587391201	EG	Annotated	Anodyne	
CNc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587391303	EG	Annotated	Bother	
CNc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587391304	EG	Annotated	Bother	
COc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-]	ZINC000587391305	EG	Annotated	Bother	
COc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1[N+](=O)[O-]	ZINC000587391306	EG	Annotated	Bother	
CNc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587391329	EG	Annotated	Bother	
CNc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	ZINC000587391330	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC#N)(c1cccc([N+](=O)[O-])c1)O2	ZINC000587391357	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC#N)(c1cccc([N+](=O)[O-])c1)O2	ZINC000587391358	EG	Annotated	Mild	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587391375	EG	Annotated	Bother	
COc1cc([N+](=O)[O-])ccc1C[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587391376	EG	Annotated	Bother	
COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1OC	ZINC000587391411	EG	Annotated	Anodyne	
COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1OC	ZINC000587391412	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cccc(N)c1)O2	ZINC000587391447	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1cccc(N)c1)O2	ZINC000587391448	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1ccnc1)(c1ccccc1)O2	ZINC000587391528	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1ccnc1)(c1ccccc1)O2	ZINC000587391530	EG	Annotated	Anodyne	
COc1ccc(N)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC	ZINC000587391540	EG	Annotated	Anodyne	
COc1ccc(N)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1OC	ZINC000587391542	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccn3)c1C)O2	ZINC000587391584	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccn3)c1C)O2	ZINC000587391586	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C[C@H]1CCCO1)O2	ZINC000587391615	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1C[C@H]1CCCO1)O2	ZINC000587391617	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1C[C@@H]1CCCO1)O2	ZINC000587391619	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C[C@@H]1CCCO1)O2	ZINC000587391622	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nccn1C)(c1ccccc1)O2	ZINC000587391689	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nccn1C)(c1ccccc1)O2	ZINC000587391694	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2	ZINC000587391703	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2	ZINC000587391705	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C=O)cc1[N+](=O)[O-])O2	ZINC000587391769	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C=O)cc1[N+](=O)[O-])O2	ZINC000587391770	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)c([N+](=O)[O-])c1)O2	ZINC000587391773	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)c([N+](=O)[O-])c1)O2	ZINC000587391774	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c3cc([N+](=O)[O-])ccc13)O2	ZINC000587391794	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1n[nH]c3cc([N+](=O)[O-])ccc13)O2	ZINC000587391797	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1O)O2	ZINC000587391917	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1O)O2	ZINC000587391924	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)O2	ZINC000587391935	EG	Annotated	Bother	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)O2	ZINC000587391937	EG	Annotated	Bother	
Cc1cc(C)cc(-n2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1	ZINC000587392003	EG	Annotated	Anodyne	
Cc1cc(C)cc(-n2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1	ZINC000587392005	EG	Annotated	Anodyne	
COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1C	ZINC000587392090	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587392092	EG	Annotated	Anodyne	
COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(N)c1C	ZINC000587392093	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587392100	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1N)O2	ZINC000587392125	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1N)O2	ZINC000587392128	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccccn3)c1C)O2	ZINC000587392263	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccccn3)c1C)O2	ZINC000587392266	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1[C@H]1CCCCO1)O2	ZINC000587392292	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1[C@H]1CCCCO1)O2	ZINC000587392294	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1[C@@H]1CCCCO1)O2	ZINC000587392295	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1[C@@H]1CCCCO1)O2	ZINC000587392296	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3cnn(C)c3)C1(C)C)O2	ZINC000587392378	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3cnn(C)c3)C1(C)C)O2	ZINC000587392380	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3cnn(C)c3)C1(C)C)O2	ZINC000587392383	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3cnn(C)c3)C1(C)C)O2	ZINC000587392387	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1NC(=O)OC(C)(C)C)O2	ZINC000587392420	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1NC(=O)OC(C)(C)C)O2	ZINC000587392421	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)O2	ZINC000587392422	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)O2	ZINC000587392423	EG	Annotated	Anodyne	
COc1cc(N)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587392428	EG	Annotated	Anodyne	
COc1cc(N)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587392429	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCCC[C@H]1C)O2	ZINC000587392439	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCCC[C@@H]1C)O2	ZINC000587392441	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCCC[C@@H]1C)O2	ZINC000587392442	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCCC[C@H]1C)O2	ZINC000587392444	EG	Annotated	Anodyne	
COc1ccccc1-n1nccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587392653	EG	Annotated	Anodyne	
COc1ccccc1-n1nccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587392654	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cc(C)cn3)o1)O2	ZINC000587392677	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cc(C)cn3)o1)O2	ZINC000587392678	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cnn(C)c1)O2	ZINC000587392684	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cnn(C)c1)O2	ZINC000587392685	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(-c3ccccc3)c1C)O2	ZINC000587392704	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(-c3ccccc3)c1C)O2	ZINC000587392705	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OC(C)(C)C)C1)O2	ZINC000587392744	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OC(C)(C)C)C1)O2	ZINC000587392747	EG	Annotated	Anodyne	
Cc1ccc(Cn2cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)nn2)cc1	ZINC000587392866	EG	Annotated	Anodyne	
Cc1ccc(Cn2cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)nn2)cc1	ZINC000587392869	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](c3ccnn3C)C1)O2	ZINC000587392870	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](c3ccnn3C)C1)O2	ZINC000587392871	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](c3ccnn3C)C1)O2	ZINC000587392872	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](c3ccnn3C)C1)O2	ZINC000587392873	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn([C@H]3CCCCO3)n1)O2	ZINC000587392935	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn([C@H]3CCCCO3)n1)O2	ZINC000587392936	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn([C@@H]3CCCCO3)n1)O2	ZINC000587392937	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn([C@@H]3CCCCO3)n1)O2	ZINC000587392938	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-n3cncn3)cc1)O2	ZINC000587392939	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-n3cncn3)cc1)O2	ZINC000587392940	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1-c1ccncc1)O2	ZINC000587392947	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1-c1ccncc1)O2	ZINC000587392948	EG	Annotated	Anodyne	
COc1ccccc1N1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587393041	EG	Annotated	Anodyne	
COc1ccccc1N1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587393048	EG	Annotated	Anodyne	
COc1ccccc1-n1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587393088	EG	Annotated	Anodyne	
COc1ccccc1-n1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587393090	EG	Annotated	Anodyne	
COc1ccc(-n2cccn2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587393103	EG	Annotated	Anodyne	
COc1ccc(-n2cccn2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587393105	EG	Annotated	Anodyne	
COc1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	ZINC000587393123	EG	Annotated	Anodyne	
COc1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	ZINC000587393130	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn(Cc3ccccc3)nn1)O2	ZINC000587393190	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn(Cc3ccccc3)nn1)O2	ZINC000587393192	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cnccn1)(c1ccccc1)O2	ZINC000587393246	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cnccn1)(c1ccccc1)O2	ZINC000587393247	EG	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587393414	EG	Annotated	Anodyne	
CC[C@H]1CCCCN1C(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587393415	EG	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587393416	EG	Annotated	Anodyne	
CC[C@H]1CCCCN1C(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587393417	EG	Annotated	Anodyne	
CCOC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587393505	EG	Annotated	Anodyne	
CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587393507	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ncccn1)O2	ZINC000587393554	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ncccn1)O2	ZINC000587393556	EG	Annotated	Anodyne	
COc1cc(C)c(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587393690	EG	Annotated	Anodyne	
COc1cc(C)c(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1	ZINC000587393692	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccccn1)O2	ZINC000587393741	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccccn1)O2	ZINC000587393742	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccccn1)O2	ZINC000587393762	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccccn1)O2	ZINC000587393763	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O2	ZINC000587393776	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O2	ZINC000587393777	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ncccc2-c2cccnc21	ZINC000587393880	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3cc(C)nn3c1C)O2	ZINC000587393923	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3cc(C)nn3c1C)O2	ZINC000587393925	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(c1ccncc1)(c1ccncc1)O2	ZINC000587394107	EG	Annotated	Anodyne	
C=C1NC(C)=Cn2nc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc21	ZINC000587394131	EG	Annotated	Anodyne	
C=C1NC(C)=Cn2nc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc21	ZINC000587394133	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccn1)(c1cccnc1)O2	ZINC000587394285	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccn1)(c1cccnc1)O2	ZINC000587394286	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccn3)nc1)O2	ZINC000587394327	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccn3)nc1)O2	ZINC000587394334	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cncnc1)O2	ZINC000587394402	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cncnc1)O2	ZINC000587394403	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccnc2-c2ncccc21	ZINC000587394414	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(c1ccccn1)(c1ccccn1)O2	ZINC000587394455	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(C1CCOCC1)O2	ZINC000587394605	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(C1CCOCC1)O2	ZINC000587394606	EG	Annotated	Anodyne	
CCOC(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1	ZINC000587394648	EG	Annotated	Anodyne	
CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1	ZINC000587394649	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC(=O)N3CCc4cccc1c43)O2	ZINC000587394821	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC(=O)N3CCc4cccc1c43)O2	ZINC000587394822	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccncn1)(c1ccccc1)O2	ZINC000587394823	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccncn1)(c1ccccc1)O2	ZINC000587394824	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCn3c(O)nc4cccc1c43)O2	ZINC000587394886	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCn3c(O)nc4cccc1c43)O2	ZINC000587394890	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cnoc1)(c1ccccc1O)O2	ZINC000587394920	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cnoc1)(c1ccccc1O)O2	ZINC000587394923	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@@H]1C)O2	ZINC000587395179	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@H]1C)O2	ZINC000587395180	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(Cc3ccccc3)C[C@H]1C)O2	ZINC000587395181	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(Cc3ccccc3)C[C@@H]1C)O2	ZINC000587395182	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1CN(C(=O)OC(C)(C)C)C1)O2	ZINC000587395238	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1CN(C(=O)OC(C)(C)C)C1)O2	ZINC000587395239	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCN1C(=O)OC(C)(C)C)O2	ZINC000587395244	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccncn1)O2	ZINC000587395362	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccncn1)O2	ZINC000587395363	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(c1cccnc1)(c1cccnc1)O2	ZINC000587395390	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1c[nH]c3ccccc13)O2	ZINC000587395429	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1c[nH]c3ccccc13)O2	ZINC000587395430	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@H](C)O)O2	ZINC000587395431	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c3ccccc13)([C@@H](C)O)O2	ZINC000587395432	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@@H](C)O)O2	ZINC000587395433	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c3ccccc13)([C@H](C)O)O2	ZINC000587395434	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCN1C(=O)OC(C)(C)C)O2	ZINC000587395445	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C1)O2	ZINC000587395467	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)O2	ZINC000587395468	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)N(C(=O)OC(C)(C)C)C1)O2	ZINC000587395469	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(C(=O)OC(C)(C)C)C1)O2	ZINC000587395470	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(c3ccccc3)C(=O)C1)O2	ZINC000587395505	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(c3ccccc3)C(=O)C1)O2	ZINC000587395506	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCC(c3nc(C)no3)CC1)O2	ZINC000587395596	EG	Annotated	Anodyne	
CCOC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)[nH]c1C	ZINC000587395657	EG	Annotated	Anodyne	
CCOC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)[nH]c1C	ZINC000587395658	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(O)cc1)O2	ZINC000587395689	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(O)cc1)O2	ZINC000587395690	EG	Annotated	Anodyne	
COC(=O)c1c(C)[nH]c(C)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587395703	EG	Annotated	Anodyne	
COC(=O)c1c(C)[nH]c(C)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587395704	EG	Annotated	Anodyne	
CCC[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587395737	EG	Annotated	Anodyne	
CCC[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587395738	EG	Annotated	Anodyne	
CCOCCCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1	ZINC000587395804	EG	Annotated	Anodyne	
CCOCCCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1	ZINC000587395808	EG	Annotated	Anodyne	
CCOCCCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1	ZINC000587395811	EG	Annotated	Anodyne	
CCOCCCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1	ZINC000587395813	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(C1CCOCC1)O2	ZINC000587395843	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(C1CCOCC1)O2	ZINC000587395845	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3CCC3=O)c1)O2	ZINC000587395859	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3CCC3=O)c1)O2	ZINC000587395862	EG	Annotated	Anodyne	
COC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587395957	EG	Annotated	Anodyne	
COC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587395958	EG	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587395987	EG	Annotated	Anodyne	
CCOC(=O)c1[nH]c(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587395988	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c(O)nc1-c1ccccc1)O2	ZINC000587396033	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c(O)nc1-c1ccccc1)O2	ZINC000587396034	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(=O)O)[nH]c3ccccc13)O2	ZINC000587396045	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(=O)O)[nH]c3ccccc13)O2	ZINC000587396046	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)O2	ZINC000587396154	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)O2	ZINC000587396155	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(C(=O)O)ccc13)O2	ZINC000587396385	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(C(=O)O)ccc13)O2	ZINC000587396386	EG	Annotated	Anodyne	
CCc1c(C(=O)O)[nH]c(C)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587396399	EG	Annotated	Anodyne	
CCc1c(C(=O)O)[nH]c(C)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587396400	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1[nH]c(C)c(C(=O)O)c1C)O2	ZINC000587396454	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1[nH]c(C)c(C(=O)O)c1C)O2	ZINC000587396478	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc(C(=O)O)c13)O2	ZINC000587396642	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc(C(=O)O)c13)O2	ZINC000587396644	EG	Annotated	Anodyne	
CCOC(=O)c1[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C	ZINC000587396675	EG	Annotated	Anodyne	
CCOC(=O)c1[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C	ZINC000587396677	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3n[nH]c(C)c31)O2	ZINC000587396693	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3n[nH]c(C)c31)O2	ZINC000587396695	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3ccco3)CC1)O2	ZINC000587396938	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c(C)c(C(=O)O)c31)O2	ZINC000587397065	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c(C)c(C(=O)O)c31)O2	ZINC000587397066	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C#N)c1nc3ccccc3[nH]1)O2	ZINC000587397081	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C#N)c1nc3ccccc3[nH]1)O2	ZINC000587397082	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C#N)c1nc3ccccc3[nH]1)O2	ZINC000587397083	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C#N)c1nc3ccccc3[nH]1)O2	ZINC000587397084	EG	Annotated	Mild	
CCOC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587397095	EG	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587397096	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)O)c1C)O2	ZINC000587397111	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C)O2	ZINC000587397112	EG	Annotated	Anodyne	
COc1ccc(N2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1	ZINC000587397235	EG	Annotated	Clean	
COc1ccc(N2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1	ZINC000587397236	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(C#N)cc3)CC1)O2	ZINC000587397263	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3=O)cc1)O2	ZINC000587397269	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3=O)cc1)O2	ZINC000587397270	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)cc1)O2	ZINC000587397428	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)cc1)O2	ZINC000587397430	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CN(C1CC1)C2	ZINC000587397529	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]c(C)c(CCC(=O)O)c1C)O2	ZINC000587397659	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]c(C)c(CCC(=O)O)c1C)O2	ZINC000587397661	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c(C(=O)O)c(C)c31)O2	ZINC000587397673	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c(C(=O)O)c(C)c31)O2	ZINC000587397676	EG	Annotated	Anodyne	
CCOC(=O)C1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CCCC1	ZINC000587397684	EG	Annotated	Anodyne	
CCOC(=O)C1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CCCC1	ZINC000587397689	EG	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	ZINC000587397725	EG	Annotated	Anodyne	
COC(=O)[C@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	ZINC000587397730	EG	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	ZINC000587397733	EG	Annotated	Anodyne	
COC(=O)[C@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21	ZINC000587397736	EG	Annotated	Anodyne	
COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587397738	EG	Annotated	Anodyne	
COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587397740	EG	Annotated	Anodyne	
COC(=O)c1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587397780	EG	Annotated	Anodyne	
COC(=O)c1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587397782	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H](C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587397953	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587397956	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587397958	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H](C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587397959	EG	Annotated	Anodyne	
COC(=O)c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587398022	EG	Annotated	Anodyne	
COC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C	ZINC000587398024	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCC(=O)O)c1)O2	ZINC000587398069	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCC(=O)O)c1)O2	ZINC000587398071	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398157	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398158	EG	Annotated	Anodyne	
COCCOc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398164	EG	Annotated	Anodyne	
COCCOc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398167	EG	Annotated	Anodyne	
COC(=O)c1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587398170	EG	Annotated	Anodyne	
COC(=O)c1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587398173	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1	ZINC000587398179	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)c1	ZINC000587398187	EG	Annotated	Anodyne	
COCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398198	EG	Annotated	Anodyne	
COCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398201	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587398223	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587398225	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587398226	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587398228	EG	Annotated	Anodyne	
COc1cc(C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O	ZINC000587398232	EG	Annotated	Anodyne	
COc1cc(C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1O	ZINC000587398233	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398236	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398240	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC	ZINC000587398288	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC	ZINC000587398292	EG	Annotated	Anodyne	
COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587398301	EG	Annotated	Anodyne	
COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587398302	EG	Annotated	Anodyne	
COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1O	ZINC000587398303	EG	Annotated	Anodyne	
COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1O	ZINC000587398305	EG	Annotated	Anodyne	
CCOC(=O)CC1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2	ZINC000587398338	EG	Annotated	Anodyne	
CCOc1ccc(C(=O)[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398339	EG	Annotated	Anodyne	
CCOc1ccc(C(=O)[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398340	EG	Annotated	Anodyne	
COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O	ZINC000587398557	EG	Annotated	Anodyne	
COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O	ZINC000587398559	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398584	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccccc2C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398585	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398609	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(C2CCCCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398611	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC	ZINC000587398614	EG	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC	ZINC000587398615	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398656	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398658	EG	Annotated	Anodyne	
COCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398669	EG	Annotated	Anodyne	
COCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587398670	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398698	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398699	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CN(C(C)C)C2	ZINC000587398814	EG	Annotated	Anodyne	
C#CCOc1ccc(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398855	EG	Annotated	Mild	
C#CCOc1ccc(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587398857	EG	Annotated	Mild	
CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)ccc21	ZINC000587399016	EG	Annotated	Anodyne	
COc1ccc(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587399031	EG	Annotated	Anodyne	
COc1ccc(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587399036	EG	Annotated	Anodyne	
CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(C)ccc21	ZINC000587399041	EG	Annotated	Anodyne	
COc1ccc(OC(C)=O)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399069	EG	Annotated	Anodyne	
COc1ccc(OC(C)=O)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399070	EG	Annotated	Anodyne	
COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587399087	EG	Annotated	Anodyne	
COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587399088	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399129	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399130	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)O	ZINC000587399181	EG	Annotated	Anodyne	
CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)O	ZINC000587399183	EG	Annotated	Anodyne	
COCOc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399210	EG	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399211	EG	Annotated	Anodyne	
COC(=O)C1C[C@@H]2CCC[C@H](C1)C21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399216	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1cccc(C=O)c1)O2	ZINC000587399228	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1cccc(C=O)c1)O2	ZINC000587399229	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H]([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1	ZINC000587399302	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H]([C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1	ZINC000587399305	EG	Annotated	Anodyne	
COC(=O)[C@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399378	EG	Annotated	Anodyne	
COC(=O)[C@@]1(CCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399388	EG	Annotated	Anodyne	
COC(=O)c1cccc2c1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399417	EG	Annotated	Anodyne	
COC(=O)c1cccc2c1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399426	EG	Annotated	Anodyne	
COC(=O)C[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399472	EG	Annotated	Anodyne	
COC(=O)C[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399474	EG	Annotated	Anodyne	
COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC	ZINC000587399523	EG	Annotated	Anodyne	
COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC	ZINC000587399526	EG	Annotated	Anodyne	
COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)=O	ZINC000587399530	EG	Annotated	Anodyne	
COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC(C)=O	ZINC000587399532	EG	Annotated	Anodyne	
COC(=O)[C@H]1CCC(C)(C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399534	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399536	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399540	EG	Annotated	Anodyne	
COC(=O)[C@H]1CCC(C)(C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399543	EG	Annotated	Anodyne	
COc1cccc(OC)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399563	EG	Annotated	Anodyne	
COc1cccc(OC)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399565	EG	Annotated	Anodyne	
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C2	ZINC000587399595	EG	Annotated	Anodyne	
CCOC(=O)N1[C@H]2CC[C@H]1CC1(CC(=O)c3cc(C)cc(N)c3O1)C2	ZINC000587399599	EG	Annotated	Anodyne	
CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C2	ZINC000587399600	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2C[C@H]1CN(Cc1ccccc1)C2	ZINC000587399613	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N1CCCCCC1)O2	ZINC000587399629	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N1CCCCCC1)O2	ZINC000587399630	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C	ZINC000587399726	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C	ZINC000587399727	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C	ZINC000587399728	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C	ZINC000587399729	EG	Annotated	Anodyne	
CCOc1ccc([C@@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587399812	EG	Annotated	Mild	
CCOc1ccc([C@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587399813	EG	Annotated	Mild	
COC(=O)c1cc(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587399838	EG	Annotated	Anodyne	
COC(=O)c1cc(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587399839	EG	Annotated	Anodyne	
COC(=O)c1ccc2c(c1)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399889	EG	Annotated	Anodyne	
CCOC(=O)C[C@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399891	EG	Annotated	Anodyne	
COC(=O)c1ccc2c(c1)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587399892	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399894	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399896	EG	Annotated	Anodyne	
CCOC(=O)C[C@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587399898	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)CCC(=O)N3C)O2	ZINC000587400032	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)CCC(=O)N3C)O2	ZINC000587400033	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400122	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400123	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587400134	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@H]([C@H]2CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587400135	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587400136	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)C1	ZINC000587400137	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC	ZINC000587400191	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(O)c1OC	ZINC000587400195	EG	Annotated	Anodyne	
COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC	ZINC000587400202	EG	Annotated	Anodyne	
COCc1ccc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587400205	EG	Annotated	Anodyne	
COCc1ccc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587400207	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1CCNCC1)O2	ZINC000587400208	EG	Annotated	Anodyne	
COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC	ZINC000587400209	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1CCNCC1)O2	ZINC000587400211	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC	ZINC000587400218	EG	Annotated	Anodyne	
CC(=O)OC[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400220	EG	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1OC	ZINC000587400221	EG	Annotated	Anodyne	
CC(=O)OC[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400223	EG	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2	ZINC000587400245	EG	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C(=O)N2	ZINC000587400247	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)Oc1ccccc1O)O2	ZINC000587400260	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)Oc1ccccc1O)O2	ZINC000587400263	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H](C)Oc1ccccc1O)O2	ZINC000587400264	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)Oc1ccccc1O)O2	ZINC000587400266	EG	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587400307	EG	Annotated	Anodyne	
COC(=O)c1ccc(CC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587400308	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC	ZINC000587400331	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC	ZINC000587400333	EG	Annotated	Anodyne	
COCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC	ZINC000587400463	EG	Annotated	Anodyne	
COCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC	ZINC000587400465	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1	ZINC000587400505	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1	ZINC000587400506	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1	ZINC000587400508	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1	ZINC000587400509	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587400523	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587400524	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587400526	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587400527	EG	Annotated	Anodyne	
CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO	ZINC000587400540	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CO	ZINC000587400542	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](c1ccccc1)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400561	EG	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400562	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](c1ccccc1)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400563	EG	Annotated	Anodyne	
CCOC(=O)[C@H](c1ccccc1)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587400564	EG	Annotated	Anodyne	
CCOC(=O)c1ccc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587400581	EG	Annotated	Anodyne	
CCOC(=O)c1ccc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587400583	EG	Annotated	Anodyne	
CCOC(=O)C1(C)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2	ZINC000587400619	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCCCC3)nc1)O2	ZINC000587400640	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCCCC3)nc1)O2	ZINC000587400643	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)=O	ZINC000587400761	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(C)=O	ZINC000587400762	EG	Annotated	Anodyne	
COc1cc(OC)c(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587400764	EG	Annotated	Anodyne	
COc1cc(OC)c(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587400765	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O	ZINC000587400777	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O	ZINC000587400779	EG	Annotated	Anodyne	
COCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1	ZINC000587400868	EG	Annotated	Anodyne	
COCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1	ZINC000587400871	EG	Annotated	Anodyne	
COc1ccc(COC[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587400885	EG	Annotated	Anodyne	
COc1ccc(COC[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587400887	EG	Annotated	Anodyne	
COc1cc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587400941	EG	Annotated	Anodyne	
COc1cc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587400942	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401013	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401019	EG	Annotated	Anodyne	
COC(=O)[C@@H](C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401023	EG	Annotated	Anodyne	
COC(=O)[C@@H](C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401026	EG	Annotated	Anodyne	
CC(=O)COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401054	EG	Annotated	Anodyne	
CC(=O)COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401056	EG	Annotated	Anodyne	
COCCOc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401244	EG	Annotated	Anodyne	
COCCOc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401245	EG	Annotated	Anodyne	
COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587401288	EG	Annotated	Anodyne	
COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC	ZINC000587401289	EG	Annotated	Anodyne	
COCOc1ccc(OC)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401299	EG	Annotated	Anodyne	
COCOc1ccc(OC)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401309	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O	ZINC000587401346	EG	Annotated	Anodyne	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC(C)=O	ZINC000587401347	EG	Annotated	Anodyne	
COC(=O)c1cc(OC)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401350	EG	Annotated	Anodyne	
COC(=O)c1cc(OC)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401351	EG	Annotated	Anodyne	
COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587401364	EG	Annotated	Anodyne	
COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1	ZINC000587401365	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401376	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587401378	EG	Annotated	Anodyne	
COc1cc(O)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401414	EG	Annotated	Anodyne	
COc1cc(O)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587401415	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@@H](C)C(=O)O)cc1)O2	ZINC000587401536	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@H](C)C(=O)O)cc1)O2	ZINC000587401537	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O[C@@H](C)C(=O)O)cc1)O2	ZINC000587401538	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O[C@H](C)C(=O)O)cc1)O2	ZINC000587401539	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC[C@H]1CN(C(C)(C)C)C2	ZINC000587401641	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3CCOCC3)c1)O2	ZINC000587401668	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3CCOCC3)c1)O2	ZINC000587401669	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(OCCO)c(C)c1)O2	ZINC000587401719	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(OCCO)c(C)c1)O2	ZINC000587401720	EG	Annotated	Anodyne	
COC(=O)/C=C/c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587401898	EG	Annotated	Anodyne	
COC(=O)/C=C/c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587401900	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O	ZINC000587401902	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1C=O	ZINC000587401903	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)ccc1OCC(=O)O)O2	ZINC000587401943	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)ccc1OCC(=O)O)O2	ZINC000587401944	EG	Annotated	Anodyne	
CCCCOC(=O)[C@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587401956	EG	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587401957	EG	Annotated	Anodyne	
CCCCOC(=O)[C@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587401958	EG	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587401959	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCC(=O)O)O2	ZINC000587401960	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCC(=O)O)O2	ZINC000587401961	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@@H](C)C(=O)O)c1)O2	ZINC000587401972	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@H](C)C(=O)O)c1)O2	ZINC000587401973	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O[C@@H](C)C(=O)O)c1)O2	ZINC000587401974	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O[C@H](C)C(=O)O)c1)O2	ZINC000587401975	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)CCC(=O)N3)O2	ZINC000587401990	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)CCC(=O)N3)O2	ZINC000587401991	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N1CCOCC1)O2	ZINC000587402073	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N1CCOCC1)O2	ZINC000587402074	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C(C)C)c2ccccc21	ZINC000587402208	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C(C)C)c2ccccc21	ZINC000587402210	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O[C@@H](C)C(=O)O)O2	ZINC000587402212	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O[C@H](C)C(=O)O)O2	ZINC000587402214	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O[C@@H](C)C(=O)O)O2	ZINC000587402215	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O[C@H](C)C(=O)O)O2	ZINC000587402216	EG	Annotated	Anodyne	
C#CCOc1c(OC)cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587402273	EG	Annotated	Mild	
C#CCOc1c(OC)cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587402274	EG	Annotated	Mild	
C#CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC	ZINC000587402307	EG	Annotated	Mild	
C#CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC	ZINC000587402309	EG	Annotated	Mild	
COC1=CC(=O)c2ccccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587402325	EG	Annotated	Mild	
COC1=CC(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2	ZINC000587402326	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCCNC1)O2	ZINC000587402433	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCCNC1)O2	ZINC000587402435	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCCNC1)O2	ZINC000587402437	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCCNC1)O2	ZINC000587402438	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCC(=O)O)cc1)O2	ZINC000587402504	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCC(=O)O)cc1)O2	ZINC000587402506	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CCC(=O)O)cc1)O2	ZINC000587402897	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CCC(=O)O)cc1)O2	ZINC000587402898	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2ccc(C)o2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587403338	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2ccc(C)o2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587403339	EG	Annotated	Anodyne	
COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C(=O)C=C1C(C)(C)C	ZINC000587403476	EG	Annotated	Mild	
COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C(=O)C=C1C(C)(C)C	ZINC000587403477	EG	Annotated	Mild	
COc1ccc(OC)c2c1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587403495	EG	Annotated	Anodyne	
COc1ccc(OC)c2c1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587403496	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)c3ccccc31)O2	ZINC000587403527	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](C(=O)O)c3ccccc31)O2	ZINC000587403528	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)c3ccccc31)O2	ZINC000587403529	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](C(=O)O)c3ccccc31)O2	ZINC000587403530	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)o1	ZINC000587403647	EG	Annotated	Anodyne	
COC(=O)c1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)o1	ZINC000587403650	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CCC(=O)O)oc1C)O2	ZINC000587403711	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CCC(=O)O)oc1C)O2	ZINC000587403712	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587403782	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587403783	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)CC(C(=O)O)C3)O2	ZINC000587403800	EG	Annotated	Anodyne	
COC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O	ZINC000587404021	EG	Annotated	Mild	
COC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccccc2C1=O	ZINC000587404023	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)O2	ZINC000587404124	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@](C)(O)C[C@@H]1C[C@H]3CC[C@H]1C3)O2	ZINC000587404125	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)O2	ZINC000587404126	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@](C)(O)C[C@H]1C[C@H]3CC[C@H]1C3)O2	ZINC000587404127	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C#CC(C)(C)O)cc1)O2	ZINC000587404186	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C#CC(C)(C)O)cc1)O2	ZINC000587404187	EG	Annotated	Mild	
CCc1oc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)OC	ZINC000587404410	EG	Annotated	Anodyne	
CCc1oc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(=O)OC	ZINC000587404411	EG	Annotated	Anodyne	
CC(=O)Oc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587404578	EG	Annotated	Anodyne	
CC(=O)Oc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587404579	EG	Annotated	Anodyne	
COc1ccc2c(c1OC)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587404808	EG	Annotated	Anodyne	
COc1ccc2c(c1OC)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587404809	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(O)c(O)c1)O2	ZINC000587405662	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(O)c(O)c1)O2	ZINC000587405667	EG	Annotated	Clean	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CC(C(=O)O)C2	ZINC000587405995	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(CC(=O)O)cc1)O2	ZINC000587406036	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(CC(=O)O)cc1)O2	ZINC000587406037	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C1(C(=O)O)CC1)O2	ZINC000587406046	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C1(C(=O)O)CC1)O2	ZINC000587406047	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc3c(c1)CCC3)O2	ZINC000587406411	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc3c(c1)CCC3)O2	ZINC000587406414	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)O2	ZINC000587406481	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)O2	ZINC000587406497	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@H]1C)O2	ZINC000587406498	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)O2	ZINC000587406499	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@@H]1CCCCC13OCCO3)O2	ZINC000587406771	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@H]1CCCCC13OCCO3)O2	ZINC000587406772	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@@H]1CCCCC13OCCO3)O2	ZINC000587406773	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@H]1CCCCC13OCCO3)O2	ZINC000587406774	EG	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587407080	EG	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587407081	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3occ(C(=O)O)c31)O2	ZINC000587407183	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3occ(C(=O)O)c31)O2	ZINC000587407190	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3oc(C)c(C(=O)O)c31)O2	ZINC000587407217	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3oc(C)c(C(=O)O)c31)O2	ZINC000587407220	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1COC(=O)C1)O2	ZINC000587407274	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1COC(=O)C1)O2	ZINC000587407275	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc4c(cc31)OCCO4)O2	ZINC000587407331	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc4c(cc31)OCCO4)O2	ZINC000587407334	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1COC(=O)C1)O2	ZINC000587407500	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1COC(=O)C1)O2	ZINC000587407502	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccoc2CC[C@H]1CC(=O)O	ZINC000587407523	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccoc2CC[C@@H]1CC(=O)O	ZINC000587407525	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccoc2CC[C@H]1CC(=O)O	ZINC000587407526	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccoc2CC[C@@H]1CC(=O)O	ZINC000587407528	EG	Annotated	Anodyne	
COc1cccc2c1OCC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587407578	EG	Annotated	Anodyne	
COc1cccc2c1OCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587407579	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC[C@@H]3CO3)c1)O2	ZINC000587407582	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OC[C@H]3CO3)c1)O2	ZINC000587407583	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC[C@@H]3CO3)c1)O2	ZINC000587407584	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OC[C@H]3CO3)c1)O2	ZINC000587407585	EG	Annotated	Anodyne	
Cc1ccc2c(c1)OC[C@@]1(CO2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587407660	EG	Annotated	Anodyne	
Cc1ccc2c(c1)OC[C@]1(CO2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587407662	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3cc(C(=O)O)ccc31)O2	ZINC000587407732	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3cc(C(=O)O)ccc31)O2	ZINC000587407758	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2	ZINC000587408171	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C3)C2	ZINC000587408173	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)O)(C3)C2	ZINC000587408175	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C#CC(C)(C)O)s1)O2	ZINC000587408347	EG	Annotated	Mild	
CCc1ccc2c(c1)[C@@]1(CC(=O)O2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587408356	EG	Annotated	Anodyne	
CCc1ccc2c(c1)[C@]1(CC(=O)O2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587408359	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C#CC(C)(C)O)s1)O2	ZINC000587408362	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1C)OCCO3)O2	ZINC000587408378	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1C)OCCO3)O2	ZINC000587408386	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)O)(c3ccccc3)C1)O2	ZINC000587408544	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(N)=S)cc1)O2	ZINC000587408702	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(N)=S)cc1)O2	ZINC000587408709	EG	Annotated	Anodyne	
CSc1ccc([C@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587408769	EG	Annotated	Mild	
CSc1ccc([C@@]2(C=O)CC(=O)c3cc(C)cc(N)c3O2)cc1	ZINC000587408774	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N)c(C#N)c1Cl)O2	ZINC000587408845	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N)c(C#N)c1Cl)O2	ZINC000587408847	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(N)=S)c1)O2	ZINC000587408896	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(N)=S)c1)O2	ZINC000587408897	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cc(C(=O)O)ccc31)O2	ZINC000587408941	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cc(C(=O)O)ccc31)O2	ZINC000587408942	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nc(C)nc1S)O2	ZINC000587409043	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nc(C)nc1S)O2	ZINC000587409044	EG	Annotated	Anodyne	
CCc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(S)n1	ZINC000587409085	EG	Annotated	Anodyne	
CCc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(S)n1	ZINC000587409092	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3nc[nH]n3)o1)O2	ZINC000587409104	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3nc[nH]n3)o1)O2	ZINC000587409109	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3cc(C)c(C)cc31)O2	ZINC000587409177	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3cc(C)c(C)cc31)O2	ZINC000587409178	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc3c(c1)OCCO3)O2	ZINC000587409237	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc3c(c1)OCCO3)O2	ZINC000587409241	EG	Annotated	Anodyne	
CCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587409271	EG	Annotated	Anodyne	
CCS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587409272	EG	Annotated	Anodyne	
CSc1ncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	ZINC000587409531	EG	Annotated	Anodyne	
CSc1ncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1	ZINC000587409532	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCO2	ZINC000587409612	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCO2	ZINC000587409620	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([S@@](C)=O)cc1)O2	ZINC000587409628	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([S@](C)=O)cc1)O2	ZINC000587409634	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc([S@](C)=O)cc1)O2	ZINC000587409635	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc([S@@](C)=O)cc1)O2	ZINC000587409636	EG	Annotated	Anodyne	
CC(=O)NCc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587409713	EG	Annotated	Anodyne	
CC(=O)NCc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587409726	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@]1(C(=O)O)C3(C)C)O2	ZINC000587409773	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@]1(C(=O)O)C3(C)C)O2	ZINC000587409775	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)O2	ZINC000587409778	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@]1(C(=O)O)C3(C)C)O2	ZINC000587409780	EG	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCO2	ZINC000587409818	EG	Annotated	Anodyne	
COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCCO2	ZINC000587409819	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1C[C@H]1C(=O)O)O2	ZINC000587409836	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1C[C@@H]1C(=O)O)O2	ZINC000587409840	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1C[C@@H]1C(=O)O)O2	ZINC000587409841	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1C[C@H]1C(=O)O)O2	ZINC000587409846	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC1C(=O)CC(C)(C)CC1=O)O2	ZINC000587409875	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC1C(=O)CC(C)(C)CC1=O)O2	ZINC000587409876	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CCC(=O)O)c1)O2	ZINC000587409877	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CCC(=O)O)c1)O2	ZINC000587409878	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)O2	ZINC000587409891	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)O2	ZINC000587409892	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2	ZINC000587409906	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2	ZINC000587409907	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccc(Cl)s1)O2	ZINC000587409965	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccc(Cl)s1)O2	ZINC000587409969	EG	Annotated	Anodyne	
COc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2	ZINC000587410078	EG	Annotated	Anodyne	
COc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)OCO2	ZINC000587410082	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(CC(=O)O)cs1)O2	ZINC000587410096	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(CC(=O)O)cs1)O2	ZINC000587410098	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](CC(=O)O)c3ccccc31)O2	ZINC000587410210	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](CC(=O)O)c3ccccc31)O2	ZINC000587410214	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](CC(=O)O)c3ccccc31)O2	ZINC000587410217	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](CC(=O)O)c3ccccc31)O2	ZINC000587410219	EG	Annotated	Anodyne	
COC(=O)Cc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587410398	EG	Annotated	Anodyne	
COC(=O)Cc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587410399	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587410496	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587410497	EG	Annotated	Anodyne	
COC(=O)c1csc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587410517	EG	Annotated	Anodyne	
COC(=O)c1csc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1	ZINC000587410519	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CCC3(CC1)OCCO3)O2	ZINC000587410535	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CCC3(CC1)OCCO3)O2	ZINC000587410536	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3c(c1)OCCO3)O2	ZINC000587410593	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3c(c1)OCCO3)O2	ZINC000587410594	EG	Annotated	Anodyne	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCCO2	ZINC000587410807	EG	Annotated	Anodyne	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc2c1OCCO2	ZINC000587410808	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3oc(C(=O)O)c(C)c31)O2	ZINC000587410900	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3oc(C(=O)O)c(C)c31)O2	ZINC000587410901	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ncc[nH]1)(c1cccs1)O2	ZINC000587410981	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ncc[nH]1)(c1cccs1)O2	ZINC000587410984	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CBr)(C1CCC1)[C@@H](C2)C3=O	ZINC000587411093	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CBr)(C1CCC1)[C@@H](C2)C3=O	ZINC000587411100	EG	Annotated	Reactive	
CSc1ncc2c(n1)CCC[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411336	EG	Annotated	Anodyne	
CSc1ncc2c(n1)CCC[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411337	EG	Annotated	Anodyne	
CC(=O)SCC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411408	EG	Annotated	Reactive	
CC(=O)SCC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411419	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)([C@H](O)c1ccco1)O2	ZINC000587411478	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)([C@@H](O)c1ccco1)O2	ZINC000587411479	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)([C@@H](O)c1ccco1)O2	ZINC000587411480	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)([C@H](O)c1ccco1)O2	ZINC000587411481	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(c1nccs1)(c1nccs1)O2	ZINC000587411616	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ncccn3)n1)O2	ZINC000587411639	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ncccn3)n1)O2	ZINC000587411640	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C#N)c(S)nc1C)O2	ZINC000587411662	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C#N)c(S)nc1C)O2	ZINC000587411664	EG	Annotated	Mild	
CSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411788	EG	Annotated	Anodyne	
CSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1	ZINC000587411795	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1COc3ccccc3O1)O2	ZINC000587411895	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1COc3ccccc3O1)O2	ZINC000587412026	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1COc3ccccc3O1)O2	ZINC000587412031	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1COc3ccccc3O1)O2	ZINC000587412036	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCCC3)s1)O2	ZINC000587412095	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCCC3)s1)O2	ZINC000587412105	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCN(C)C)(c1cccs1)O2	ZINC000587412207	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN(C)C)(c1cccs1)O2	ZINC000587412209	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ncccc1Br)[C@@H](C2)C3=O	ZINC000587412233	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ncccc1Br)[C@@H](C2)C3=O	ZINC000587412237	EG	Annotated	Anodyne	
C/C(=C/[C@@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587412289	EG	Annotated	Anodyne	
CSc1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C#N	ZINC000587412293	EG	Annotated	Mild	
CSc1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1C#N	ZINC000587412294	EG	Annotated	Mild	
C/C(=C\[C@@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587412303	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC[C@@H]3CO3)cc1)O2	ZINC000587412305	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OC[C@H]3CO3)cc1)O2	ZINC000587412306	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC[C@@H]3CO3)cc1)O2	ZINC000587412307	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC[C@H]3CO3)cc1)O2	ZINC000587412308	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1[nH]ccc1Br)[C@@H](C2)C3=O	ZINC000587412502	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1[nH]ccc1Br)[C@@H](C2)C3=O	ZINC000587412504	EG	Annotated	Anodyne	
C/C(=C\[C@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587412512	EG	Annotated	Anodyne	
C/C(=C/[C@]1(c2nccs2)CC(=O)c2cc(C)cc(N)c2O1)N(C)C	ZINC000587412513	EG	Annotated	Anodyne	
CSc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1	ZINC000587412516	EG	Annotated	Anodyne	
CSc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)n1	ZINC000587412518	EG	Annotated	Anodyne	
CC(=O)Nc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587412626	EG	Annotated	Anodyne	
CC(=O)Nc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587412631	EG	Annotated	Anodyne	
CCCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587412636	EG	Annotated	Anodyne	
CCCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587412640	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1N1CCSCC1)O2	ZINC000587412819	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1N1CCSCC1)O2	ZINC000587412820	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1N1CCSCC1)O2	ZINC000587412821	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1N1CCSCC1)O2	ZINC000587412822	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cnccn3)s1)O2	ZINC000587413031	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cnccn3)s1)O2	ZINC000587413033	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1nccn1C)O2	ZINC000587413044	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1nccn1C)O2	ZINC000587413051	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1Cc3ccccc3C(=O)O1)O2	ZINC000587413141	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1Cc3ccccc3C(=O)O1)O2	ZINC000587413142	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1Cc3ccccc3C(=O)O1)O2	ZINC000587413143	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1Cc3ccccc3C(=O)O1)O2	ZINC000587413144	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1sc(N)c3C#N)O2	ZINC000587413278	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1sc(N)c3C#N)O2	ZINC000587413293	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587413347	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](C)Br)[C@@H](C2)C3=O	ZINC000587413349	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C1CC1)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587413350	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](C)Br)[C@@H](C2)C3=O	ZINC000587413351	EG	Annotated	Reactive	
CCOC(=O)[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587413421	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587413422	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cccs1)O2	ZINC000587413427	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cccs1)O2	ZINC000587413428	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3cscn3)CC1)O2	ZINC000587413500	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H]([C@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587413561	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H]([C@@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587413562	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H]([C@@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587413564	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H]([C@H](Br)C(C)C)[C@@H](C2)C3=O	ZINC000587413565	EG	Annotated	Reactive	
COc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587413573	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587413574	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(N)sc3c1CCOC3)O2	ZINC000587413615	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(N)sc3c1CCOC3)O2	ZINC000587413617	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3[nH]c(=N)sc31)O2	ZINC000587413725	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3[nH]c(=N)sc31)O2	ZINC000587413728	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3cnn(C)c3)cs1)O2	ZINC000587413848	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3cnn(C)c3)cs1)O2	ZINC000587413849	EG	Annotated	Anodyne	
CCN(C(C)=O)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1	ZINC000587413931	EG	Annotated	Anodyne	
CCN(C(C)=O)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1	ZINC000587414213	EG	Annotated	Anodyne	
CCOC(=O)c1csc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1	ZINC000587414277	EG	Annotated	Anodyne	
CCOC(=O)c1csc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1	ZINC000587414278	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCOCC3)s1)O2	ZINC000587414292	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCOCC3)s1)O2	ZINC000587414293	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N(C)C)nc1Cl)O2	ZINC000587414294	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N(C)C)nc1Cl)O2	ZINC000587414295	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)sc(=O)n3C)O2	ZINC000587414343	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)sc(=O)n3C)O2	ZINC000587414349	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCCCO3)O2	ZINC000587414506	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCCCO3)O2	ZINC000587414510	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(CCCBr)[C@@H](C2)C3=O	ZINC000587414529	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C)(CCCBr)[C@@H](C2)C3=O	ZINC000587414530	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C)(C(C)(C)Br)[C@@H](C2)C3=O	ZINC000587414643	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(C(C)(C)Br)[C@@H](C2)C3=O	ZINC000587414645	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccncn3)s1)O2	ZINC000587414716	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccncn3)s1)O2	ZINC000587414717	EG	Annotated	Anodyne	
CC[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414765	EG	Annotated	Reactive	
CC[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414766	EG	Annotated	Reactive	
CC[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414769	EG	Annotated	Reactive	
CC[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587414771	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ncccn3)s1)O2	ZINC000587414780	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ncccn3)s1)O2	ZINC000587414782	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(CC1CC1)[C@@H](C2)C3=O	ZINC000587414870	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(CC1CC1)[C@@H](C2)C3=O	ZINC000587414871	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3sc(=N)[nH]c31)O2	ZINC000587414881	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3sc(=N)[nH]c31)O2	ZINC000587414883	EG	Annotated	Anodyne	
COC(=O)c1coc2c1[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415004	EG	Annotated	Anodyne	
COC(=O)c1coc2c1[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415005	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1OCCCO3)O2	ZINC000587415076	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1OCCCO3)O2	ZINC000587415077	EG	Annotated	Anodyne	
C=CCN=c1[nH]c(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587415099	EG	Annotated	Mild	
C=CCN=c1[nH]c(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587415100	EG	Annotated	Mild	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1scc3c1OCCO3)O2	ZINC000587415137	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1scc3c1OCCO3)O2	ZINC000587415138	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415139	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(c2cccs2)CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415140	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cnn(C)c3)s1)O2	ZINC000587415202	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cnn(C)c3)s1)O2	ZINC000587415204	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC(C1CCOCC1)(C1CCOCC1)O2	ZINC000587415214	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3nccs3)CC1)O2	ZINC000587415237	EG	Annotated	Anodyne	
COCCc1nc(C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587415381	EG	Annotated	Anodyne	
COCCc1nc(C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)s1	ZINC000587415382	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3nc(C)cs3)CC1)O2	ZINC000587415389	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc3sc(=N)[nH]c13)O2	ZINC000587415488	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc3sc(=N)[nH]c13)O2	ZINC000587415489	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nc3sccn13)O2	ZINC000587415490	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nc3sccn13)O2	ZINC000587415491	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CBr)(C(C)C)[C@@H](C2)C3=O	ZINC000587415624	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CBr)(C(C)C)[C@@H](C2)C3=O	ZINC000587415625	EG	Annotated	Reactive	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3[nH]c(=N)sc3c1)O2	ZINC000587415797	EG	Annotated	Anodyne	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3[nH]c(=N)sc3c1)O2	ZINC000587415798	EG	Annotated	Anodyne	
COc1nc2sccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415889	EG	Annotated	Anodyne	
COc1nc2sccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415893	EG	Annotated	Anodyne	
CCOc1nc2sccn2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415913	EG	Annotated	Anodyne	
CCOc1nc2sccn2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	ZINC000587415917	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccncc1Br)[C@@H](C2)C3=O	ZINC000587416686	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccncc1Br)[C@@H](C2)C3=O	ZINC000587416687	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1c(C)noc1C)[C@@H](C2)C3=O	ZINC000587416722	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)noc1C)[C@@H](C2)C3=O	ZINC000587416723	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1cccc(Br)n1)[C@@H](C2)C3=O	ZINC000587416952	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(Br)n1)[C@@H](C2)C3=O	ZINC000587416953	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)nc1)[C@@H](C2)C3=O	ZINC000587416970	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)nc1)[C@@H](C2)C3=O	ZINC000587416971	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cncc(Br)c1)[C@@H](C2)C3=O	ZINC000587417002	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cncc(Br)c1)[C@@H](C2)C3=O	ZINC000587417003	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccnc1Br)[C@@H](C2)C3=O	ZINC000587417111	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccnc1Br)[C@@H](C2)C3=O	ZINC000587417112	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccnc(Br)c1)[C@@H](C2)C3=O	ZINC000587417560	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccnc(Br)c1)[C@@H](C2)C3=O	ZINC000587417562	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(Cn1nc(C)c(Cl)c1C)[C@@H](C2)C3=O	ZINC000587417600	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(Cn1nc(C)c(Cl)c1C)[C@@H](C2)C3=O	ZINC000587417601	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)c[nH]1)[C@@H](C2)C3=O	ZINC000587417718	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)c[nH]1)[C@@H](C2)C3=O	ZINC000587417719	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(COc1ccccc1)[C@@H](C2)C3=O	ZINC000587417874	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(COc1ccccc1)[C@@H](C2)C3=O	ZINC000587417881	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(O)cc1)[C@@H](C2)C3=O	ZINC000587418001	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(O)cc1)[C@@H](C2)C3=O	ZINC000587418002	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)[nH]1)[C@@H](C2)C3=O	ZINC000587418146	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)[nH]1)[C@@H](C2)C3=O	ZINC000587418147	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn4cc(Cl)ccc4n1)[C@@H](C2)C3=O	ZINC000587418250	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn4cc(Cl)ccc4n1)[C@@H](C2)C3=O	ZINC000587418264	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C#N)cc1)[C@@H](C2)C3=O	ZINC000587418302	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C#N)cc1)[C@@H](C2)C3=O	ZINC000587418306	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccn1)[C@@H](C2)C3=O	ZINC000587418336	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Br)ccn1)[C@@H](C2)C3=O	ZINC000587418337	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O	ZINC000587418469	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O	ZINC000587418471	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CC#N)(c1cc(Cl)ccn1)[C@@H](C2)C3=O	ZINC000587418473	EG	Annotated	Mild	
CCn1cc(Cl)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1	ZINC000587418484	EG	Annotated	Anodyne	
CCn1cc(Cl)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1	ZINC000587418485	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC#N)(c1cc(Cl)ccn1)[C@@H](C2)C3=O	ZINC000587418487	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)nc1Cl)[C@@H](C2)C3=O	ZINC000587418508	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)nc1Cl)[C@@H](C2)C3=O	ZINC000587418509	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(O)nc1C)[C@@H](C2)C3=O	ZINC000587418531	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(O)nc1C)[C@@H](C2)C3=O	ZINC000587418532	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587418613	EG	Annotated	Clean	
COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587418619	EG	Annotated	Clean	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)cc1O)[C@@H](C2)C3=O	ZINC000587418632	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)cc1O)[C@@H](C2)C3=O	ZINC000587418633	EG	Annotated	Anodyne	
CCc1nn(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419320	EG	Annotated	Anodyne	
CCc1nn(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587419325	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCl)(c1oc(C)nc1C)[C@@H](C2)C3=O	ZINC000587419453	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](CCl)(c1oc(C)nc1C)[C@@H](C2)C3=O	ZINC000587419456	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccc4nccn14)[C@@H](C2)C3=O	ZINC000587419506	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)ccc4nccn14)[C@@H](C2)C3=O	ZINC000587419508	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cnc1OC)[C@@H](C2)C3=O	ZINC000587419893	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)cnc1OC)[C@@H](C2)C3=O	ZINC000587419896	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C(=O)O)(c1ccccc1Cl)[C@@H](C2)C3=O	ZINC000587419994	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccccc1Cl)[C@@H](C2)C3=O	ZINC000587419996	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H](OC(C)(C)C)[C@H]1Cl)[C@@H](C2)C3=O	ZINC000587420136	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C[C@@H](OC(C)(C)C)[C@H]1Cl)[C@@H](C2)C3=O	ZINC000587420153	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C[C@@H](OC(C)(C)C)[C@@H]1Cl)[C@@H](C2)C3=O	ZINC000587420154	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C[C@H](OC(C)(C)C)[C@@H]1Cl)[C@@H](C2)C3=O	ZINC000587420156	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1cnc(Cl)nc1Cl)[C@@H](C2)C3=O	ZINC000587420166	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(Cl)nc1Cl)[C@@H](C2)C3=O	ZINC000587420181	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587420363	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587420364	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O	ZINC000587420542	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H]([C@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O	ZINC000587420547	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O	ZINC000587420554	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H]([C@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O	ZINC000587420555	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)nnc1Cl)[C@@H](C2)C3=O	ZINC000587420682	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)nnc1Cl)[C@@H](C2)C3=O	ZINC000587420686	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1[nH]nc(C(F)(F)F)c1C)[C@@H](C2)C3=O	ZINC000587420945	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1[nH]nc(C(F)(F)F)c1C)[C@@H](C2)C3=O	ZINC000587420948	EG	Annotated	Anodyne	
CCn1ncc([C@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587420957	EG	Annotated	Anodyne	
CCn1ncc([C@@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587420962	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cn1)[C@@H](C2)C3=O	ZINC000587421026	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Br)cn1)[C@@H](C2)C3=O	ZINC000587421027	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421058	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421059	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc(OC)ccc1Cl)[C@@H](C2)C3=O	ZINC000587421089	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc(OC)ccc1Cl)[C@@H](C2)C3=O	ZINC000587421091	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc(Cl)cnc1Cl)[C@@H](C2)C3=O	ZINC000587421106	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc(Cl)cnc1Cl)[C@@H](C2)C3=O	ZINC000587421107	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc4[nH]c(Cl)ncc1-4)[C@@H](C2)C3=O	ZINC000587421228	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc4[nH]c(Cl)ncc1-4)[C@@H](C2)C3=O	ZINC000587421231	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4ccc(Cl)nc41)[C@@H](C2)C3=O	ZINC000587421243	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4ccc(Cl)nc41)[C@@H](C2)C3=O	ZINC000587421246	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4nc(Cl)ccc41)[C@@H](C2)C3=O	ZINC000587421260	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4nc(Cl)ccc41)[C@@H](C2)C3=O	ZINC000587421261	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(Cl)n1C)[C@@H](C2)C3=O	ZINC000587421314	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(Cl)n1C)[C@@H](C2)C3=O	ZINC000587421318	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421644	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnc(OC)c(Cl)c1)[C@@H](C2)C3=O	ZINC000587421645	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1OC)[C@@H](C2)C3=O	ZINC000587421742	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1OC)[C@@H](C2)C3=O	ZINC000587421744	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)ccc1F)[C@@H](C2)C3=O	ZINC000587422003	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)ccc1F)[C@@H](C2)C3=O	ZINC000587422009	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(O)c(F)c1)[C@@H](C2)C3=O	ZINC000587422104	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(O)c(F)c1)[C@@H](C2)C3=O	ZINC000587422106	EG	Annotated	Anodyne	
CCn1cc([C@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	ZINC000587422116	EG	Annotated	Anodyne	
CCn1cc([C@@]2(C(F)F)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	ZINC000587422119	EG	Annotated	Anodyne	
CCn1nc(C)c(Cl)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587422199	EG	Annotated	Anodyne	
CCn1nc(C)c(Cl)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587422201	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)nc1)[C@@H](C2)C3=O	ZINC000587422237	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)nc1)[C@@H](C2)C3=O	ZINC000587422241	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc4ccc(Cl)cn14)[C@@H](C2)C3=O	ZINC000587422301	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc4ccc(Cl)cn14)[C@@H](C2)C3=O	ZINC000587422303	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(OC)ccnc1Cl)[C@@H](C2)C3=O	ZINC000587422446	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(OC)ccnc1Cl)[C@@H](C2)C3=O	ZINC000587422447	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nn(CCCl)c1C)[C@@H](C2)C3=O	ZINC000587422633	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1c(C)nn(CCCl)c1C)[C@@H](C2)C3=O	ZINC000587422638	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1OC)[C@@H](C2)C3=O	ZINC000587422639	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1OC)[C@@H](C2)C3=O	ZINC000587422640	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@H](C)O)[C@@H](C2)C3=O	ZINC000587422720	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@@H](C)O)[C@@H](C2)C3=O	ZINC000587422721	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)([C@H](C)O)[C@@H](C2)C3=O	ZINC000587422723	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)([C@@H](C)O)[C@@H](C2)C3=O	ZINC000587422725	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(F)ccc(F)c1OC)[C@@H](C2)C3=O	ZINC000587422889	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(F)c1OC)[C@@H](C2)C3=O	ZINC000587422894	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC)cc1F)[C@@H](C2)C3=O	ZINC000587422902	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC)cc1F)[C@@H](C2)C3=O	ZINC000587422913	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C#N)c1F)[C@@H](C2)C3=O	ZINC000587422937	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C#N)c1F)[C@@H](C2)C3=O	ZINC000587422943	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O	ZINC000587423022	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(OC)c(O)cc1F)[C@@H](C2)C3=O	ZINC000587423025	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F	ZINC000587423054	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F	ZINC000587423055	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc(C)ccc1OC(F)F)[C@@H](C2)C3=O	ZINC000587423284	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc(C)ccc1OC(F)F)[C@@H](C2)C3=O	ZINC000587423285	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)ncnc1Cl)[C@@H](C2)C3=O	ZINC000587423294	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)ncnc1Cl)[C@@H](C2)C3=O	ZINC000587423295	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cncc4c(Cl)n[nH]c14)[C@@H](C2)C3=O	ZINC000587423331	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cncc4c(Cl)n[nH]c14)[C@@H](C2)C3=O	ZINC000587423332	EG	Annotated	Anodyne	
CNc1cc(Cl)ncc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587423339	EG	Annotated	Anodyne	
CNc1cc(Cl)ncc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587423340	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(N)c(F)c1F)[C@@H](C2)C3=O	ZINC000587423387	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(N)c(F)c1F)[C@@H](C2)C3=O	ZINC000587423388	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(F)c1OC)[C@@H](C2)C3=O	ZINC000587423404	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc4[nH]cnc(Cl)c1-4)[C@@H](C2)C3=O	ZINC000587423415	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc4[nH]cnc(Cl)c1-4)[C@@H](C2)C3=O	ZINC000587423416	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(F)cc(F)c1OC)[C@@H](C2)C3=O	ZINC000587423418	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)cc1OC)[C@@H](C2)C3=O	ZINC000587423420	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)cc1OC)[C@@H](C2)C3=O	ZINC000587423422	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(F)c(C)c1)[C@@H](C2)C3=O	ZINC000587423452	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(F)c(C)c1)[C@@H](C2)C3=O	ZINC000587423453	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)nc1N(C)C)[C@@H](C2)C3=O	ZINC000587423538	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Cl)nc1N(C)C)[C@@H](C2)C3=O	ZINC000587423539	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(O)c1)[C@@H](C2)C3=O	ZINC000587423691	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(O)c1)[C@@H](C2)C3=O	ZINC000587423699	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCNc4nc(Cl)ccc41)[C@@H](C2)C3=O	ZINC000587423776	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCNc4nc(Cl)ccc41)[C@@H](C2)C3=O	ZINC000587423784	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc4n[nH]c(Cl)c4c1)[C@@H](C2)C3=O	ZINC000587423789	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc4n[nH]c(Cl)c4c1)[C@@H](C2)C3=O	ZINC000587423792	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(F)cc(F)cc1OC)[C@@H](C2)C3=O	ZINC000587423927	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(F)cc(F)cc1OC)[C@@H](C2)C3=O	ZINC000587423928	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(F)cccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587423937	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1c(F)cccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587423938	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(F)c(C#N)c(F)c1)[C@@H](C2)C3=O	ZINC000587423971	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c(C#N)c(F)c1)[C@@H](C2)C3=O	ZINC000587423972	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1c(Cl)ccnc1N(C)C)[C@@H](C2)C3=O	ZINC000587424197	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(Cl)ccnc1N(C)C)[C@@H](C2)C3=O	ZINC000587424199	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1nc(Cl)ncc1C)[C@@H](C2)C3=O	ZINC000587424277	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1nc(Cl)ncc1C)[C@@H](C2)C3=O	ZINC000587424286	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(N)c(F)c1)[C@@H](C2)C3=O	ZINC000587424383	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(N)c(F)c1)[C@@H](C2)C3=O	ZINC000587424386	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(Cl)nc(OC)c1)[C@@H](C2)C3=O	ZINC000587424396	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(Cl)nc(OC)c1)[C@@H](C2)C3=O	ZINC000587424400	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(COc4ccc(Cl)cc4C1)[C@@H](C2)C3=O	ZINC000587424420	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(COc4ccc(Cl)cc4C1)[C@@H](C2)C3=O	ZINC000587424431	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](C2)C3=O	ZINC000587424471	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(F)c([N+](=O)[O-])cc1F)[C@@H](C2)C3=O	ZINC000587424474	EG	Annotated	Bother	
COc1cc(F)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1	ZINC000587424565	EG	Annotated	Anodyne	
COc1cc(F)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1	ZINC000587424566	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C#N)cc1F)[C@@H](C2)C3=O	ZINC000587424653	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1c(F)cc(C#N)cc1F)[C@@H](C2)C3=O	ZINC000587424654	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587424657	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587424658	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(F)c1F)[C@@H](C2)C3=O	ZINC000587424687	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(F)c1F)[C@@H](C2)C3=O	ZINC000587424688	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587424689	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(F)c(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587424690	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(F)c(O)c(OC)c1)[C@@H](C2)C3=O	ZINC000587424723	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c(O)c(OC)c1)[C@@H](C2)C3=O	ZINC000587424724	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O	ZINC000587424735	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c(OC)c(F)c1)[C@@H](C2)C3=O	ZINC000587424736	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(F)cc1F)[C@@H](C2)C3=O	ZINC000587424799	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(F)cc1F)[C@@H](C2)C3=O	ZINC000587424800	EG	Annotated	Anodyne	
COC(=O)c1ccc(F)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587424811	EG	Annotated	Anodyne	
COC(=O)c1ccc(F)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587424812	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O	ZINC000587424823	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O	ZINC000587424824	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(F)cc1F)[C@@H](C2)C3=O	ZINC000587424866	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(F)cc1F)[C@@H](C2)C3=O	ZINC000587424867	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1c(N)cc(F)cc1F)[C@@H](C2)C3=O	ZINC000587424899	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(N)cc(F)cc1F)[C@@H](C2)C3=O	ZINC000587424900	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587424911	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587424912	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O	ZINC000587424917	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1c(F)cc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O	ZINC000587424918	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)c(OC)c1)[C@@H](C2)C3=O	ZINC000587424989	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)c(OC)c1)[C@@H](C2)C3=O	ZINC000587424990	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(F)c(OC)cc1F)[C@@H](C2)C3=O	ZINC000587425007	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)c(OC)cc1F)[C@@H](C2)C3=O	ZINC000587425008	EG	Annotated	Anodyne	
COC[C@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587425229	EG	Annotated	Anodyne	
COC[C@@]1(c2ccc(F)c(F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587425230	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(F)c1)[C@@H](C2)C3=O	ZINC000587425452	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(F)c1)[C@@H](C2)C3=O	ZINC000587425453	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587425485	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587425488	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)O)cc1F)[C@@H](C2)C3=O	ZINC000587425692	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)O)cc1F)[C@@H](C2)C3=O	ZINC000587425693	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(OC)cc(F)cc1OC)[C@@H](C2)C3=O	ZINC000587425700	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(F)cc1OC)[C@@H](C2)C3=O	ZINC000587425703	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c(F)c1)[C@@H](C2)C3=O	ZINC000587425947	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c(F)c1)[C@@H](C2)C3=O	ZINC000587425948	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(OC)ccc(F)c1F)[C@@H](C2)C3=O	ZINC000587426009	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(OC)ccc(F)c1F)[C@@H](C2)C3=O	ZINC000587426010	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O	ZINC000587426101	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O	ZINC000587426102	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O	ZINC000587426109	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1F)[C@@H](C2)C3=O	ZINC000587426110	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](CC#N)(c1cccc(C#N)c1)[C@@H](C2)C3=O	ZINC000587426342	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](CC#N)(c1cccc(C#N)c1)[C@@H](C2)C3=O	ZINC000587426343	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(OC)c4F)[C@@H](C2)C3=O	ZINC000587426358	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(OC)c4F)[C@@H](C2)C3=O	ZINC000587426359	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCNc4c(F)cccc41)[C@@H](C2)C3=O	ZINC000587426374	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCNc4c(F)cccc41)[C@@H](C2)C3=O	ZINC000587426375	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(OC)cc41)[C@@H](C2)C3=O	ZINC000587426577	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cc(F)c(OC)cc41)[C@@H](C2)C3=O	ZINC000587426579	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c(C#N)c1)[C@@H](C2)C3=O	ZINC000587426620	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c(C#N)c1)[C@@H](C2)C3=O	ZINC000587426625	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C)(c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O	ZINC000587426698	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1cccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O	ZINC000587426699	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@]1(CCc4cc(F)c(O)cc41)[C@@H](C2)C3=O	ZINC000587426704	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(O)cc41)[C@@H](C2)C3=O	ZINC000587426712	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CC(C#N)(c4ccccc4)C1)[C@@H](C2)C3=O	ZINC000587426805	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(OC)c1F)[C@@H](C2)C3=O	ZINC000587426817	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(F)ccc(OC)c1F)[C@@H](C2)C3=O	ZINC000587426818	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1	ZINC000587426849	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1	ZINC000587426850	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1)[C@@H](C2)C3=O	ZINC000587426916	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1)[C@@H](C2)C3=O	ZINC000587426917	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc4c(cnn4C)cc1F)[C@@H](C2)C3=O	ZINC000587427018	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc4c(cnn4C)cc1F)[C@@H](C2)C3=O	ZINC000587427020	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC#N)(c1ccccc1OC)[C@@H](C2)C3=O	ZINC000587427057	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](CC#N)(c1ccccc1OC)[C@@H](C2)C3=O	ZINC000587427059	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587427085	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(F)cc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587427086	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C(C)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587427109	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C(C)=O)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587427111	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4cc(F)cc(F)c41)[C@@H](C2)C3=O	ZINC000587427133	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4cc(F)cc(F)c41)[C@@H](C2)C3=O	ZINC000587427139	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F	ZINC000587427252	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F	ZINC000587427254	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccco1)[C@@H](C2)C3=O	ZINC000587427300	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccco1)[C@@H](C2)C3=O	ZINC000587427304	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587427371	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587427373	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@]1(CCOc4c(F)cccc41)[C@@H](C2)C3=O	ZINC000587427419	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4c(F)cccc41)[C@@H](C2)C3=O	ZINC000587427421	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(C)=O)[C@@H](C2)C3=O	ZINC000587427589	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(C)=O)[C@@H](C2)C3=O	ZINC000587427590	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCN(c4ccc(F)cc4)C1)[C@@H](C2)C3=O	ZINC000587427643	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(C)cc41)[C@@H](C2)C3=O	ZINC000587427649	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@]1(CCN(c4ccc(F)cc4)C1)[C@@H](C2)C3=O	ZINC000587427650	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(C)cc41)[C@@H](C2)C3=O	ZINC000587427658	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C(C)C)nc1)[C@@H](C2)C3=O	ZINC000587427713	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C(C)C)nc1)[C@@H](C2)C3=O	ZINC000587427721	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O	ZINC000587427826	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1F)[C@@H](C2)C3=O	ZINC000587427827	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@]1(CCCC4=C1C[C@H](CC#N)O4)[C@@H](C2)C3=O	ZINC000587427853	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@]1(CCCC4=C1C[C@H](CC#N)O4)[C@@H](C2)C3=O	ZINC000587427854	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(CCCC4=C1C[C@@H](CC#N)O4)[C@@H](C2)C3=O	ZINC000587427855	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@]1(CCCC4=C1C[C@@H](CC#N)O4)[C@@H](C2)C3=O	ZINC000587427856	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C)(c1c(F)c[nH]c4nccc1-4)[C@@H](C2)C3=O	ZINC000587427924	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(F)c[nH]c4nccc1-4)[C@@H](C2)C3=O	ZINC000587427926	EG	Annotated	Anodyne	
COC(=O)c1cc(F)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587428002	EG	Annotated	Anodyne	
COC(=O)c1cc(F)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587428005	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCNc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587428017	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCNc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587428021	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4c(F)cc(F)cc41)[C@@H](C2)C3=O	ZINC000587428078	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4c(F)cc(F)cc41)[C@@H](C2)C3=O	ZINC000587428079	EG	Annotated	Anodyne	
CCN[C@@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587428246	EG	Annotated	Anodyne	
CCN[C@@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587428248	EG	Annotated	Anodyne	
CCN[C@H](C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587428250	EG	Annotated	Anodyne	
CCN[C@H](C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587428252	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587428263	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(C(=O)O)c(F)c1)[C@@H](C2)C3=O	ZINC000587428265	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1OCC#N)[C@@H](C2)C3=O	ZINC000587428275	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1OCC#N)[C@@H](C2)C3=O	ZINC000587428276	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1ccc(O[C@H](C)C#N)cc1)[C@@H](C2)C3=O	ZINC000587428313	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@H](C)C#N)cc1)[C@@H](C2)C3=O	ZINC000587428316	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(O[C@@H](C)C#N)cc1)[C@@H](C2)C3=O	ZINC000587428318	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1ccc(O[C@@H](C)C#N)cc1)[C@@H](C2)C3=O	ZINC000587428319	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587428354	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587428355	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(F)ccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O	ZINC000587428421	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1c(F)ccc([N+](=O)[O-])c1F)[C@@H](C2)C3=O	ZINC000587428423	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@](C)(c1ccc(C#N)cc1OC)[C@@H](C2)C3=O	ZINC000587428630	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(C#N)cc1OC)[C@@H](C2)C3=O	ZINC000587428631	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587428686	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587428688	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@](C)(c1nc4ccc(F)cc4[nH]1)[C@@H](C2)C3=O	ZINC000587428736	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1nc4ccc(F)cc4[nH]1)[C@@H](C2)C3=O	ZINC000587428738	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587428739	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(F)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587428741	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(C(=O)c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587428743	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(C(=O)c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587428746	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4cc(F)ccc41)[C@@H](C2)C3=O	ZINC000587428769	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4cc(F)ccc41)[C@@H](C2)C3=O	ZINC000587428771	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587428787	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587428789	EG	Annotated	Bother	
CCN(CC)[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587428890	EG	Annotated	Anodyne	
CCN(CC)[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587428891	EG	Annotated	Anodyne	
CCN(CC)[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587428892	EG	Annotated	Anodyne	
CCN(CC)[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587428893	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CC#N)c1)[C@@H](C2)C3=O	ZINC000587428922	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CC#N)c1)[C@@H](C2)C3=O	ZINC000587428923	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587428932	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587428933	EG	Annotated	Anodyne	
COc1ccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587428952	EG	Annotated	Mild	
COc1ccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587428953	EG	Annotated	Mild	
COc1cc(F)c2c(c1)CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587428980	EG	Annotated	Anodyne	
COc1cc(F)c2c(c1)CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587428981	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCCO)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587429031	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCCO)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587429032	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587429066	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587429067	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@]1(C=COc4cc(C#N)ccc41)[C@@H](C2)C3=O	ZINC000587429158	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(C=COc4cc(C#N)ccc41)[C@@H](C2)C3=O	ZINC000587429159	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC#N)cc1)[C@@H](C2)C3=O	ZINC000587429164	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC#N)cc1)[C@@H](C2)C3=O	ZINC000587429165	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](C)N(C)C)[C@@H](C2)C3=O	ZINC000587429213	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](C)N(C)C)[C@@H](C2)C3=O	ZINC000587429214	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](C)N(C)C)[C@@H](C2)C3=O	ZINC000587429215	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](C)N(C)C)[C@@H](C2)C3=O	ZINC000587429216	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccnc1)[C@@H](C2)C3=O	ZINC000587429309	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccnc1)[C@@H](C2)C3=O	ZINC000587429311	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4nccn4C)C1)[C@@H](C2)C3=O	ZINC000587429319	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4nccn4C)C1)[C@@H](C2)C3=O	ZINC000587429321	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4nccn4C)C1)[C@@H](C2)C3=O	ZINC000587429324	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4nccn4C)C1)[C@@H](C2)C3=O	ZINC000587429326	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4cccc(F)c41)[C@@H](C2)C3=O	ZINC000587429359	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4cccc(F)c41)[C@@H](C2)C3=O	ZINC000587429360	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@H](CC#N)C[C@H]41)[C@@H](C2)C3=O	ZINC000587429569	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@@H](CC#N)C[C@@H]41)[C@@H](C2)C3=O	ZINC000587429570	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@@H](CC#N)C[C@H]41)[C@@H](C2)C3=O	ZINC000587429571	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4O[C@H](CC#N)C[C@@H]41)[C@@H](C2)C3=O	ZINC000587429572	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C)([C@@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O	ZINC000587429591	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O	ZINC000587429592	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O	ZINC000587429593	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@@H](CC(C)C)CN(C)C)[C@@H](C2)C3=O	ZINC000587429594	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C(C)(C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587429640	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C(C)(C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587429641	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccccc41)[C@@H](C2)C3=O	ZINC000587429658	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccccc41)[C@@H](C2)C3=O	ZINC000587429660	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](C(=O)Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587429702	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@@](C(=O)Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O	ZINC000587429705	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(CCOc4c(F)ccc(F)c41)[C@@H](C2)C3=O	ZINC000587429755	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4c(F)ccc(F)c41)[C@@H](C2)C3=O	ZINC000587429757	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc4nn(C)cc14)[C@@H](C2)C3=O	ZINC000587429800	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc4nn(C)cc14)[C@@H](C2)C3=O	ZINC000587429804	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccncc4)nc1C)[C@@H](C2)C3=O	ZINC000587429808	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(-c4ccncc4)nc1C)[C@@H](C2)C3=O	ZINC000587429810	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(Cc1ccn(C(C)C)n1)[C@@H](C2)C3=O	ZINC000587429842	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(Cc1ccn(C(C)C)n1)[C@@H](C2)C3=O	ZINC000587429844	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cncc(F)c1)(C1CC1)[C@@H](C2)C3=O	ZINC000587429869	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cncc(F)c1)(C1CC1)[C@@H](C2)C3=O	ZINC000587429873	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587429902	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(F)cc41)[C@@H](C2)C3=O	ZINC000587429917	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1cc(F)cc4c1OCOC4)[C@@H](C2)C3=O	ZINC000587429953	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(F)cc4c1OCOC4)[C@@H](C2)C3=O	ZINC000587429970	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4nn(C)cc4c1)[C@@H](C2)C3=O	ZINC000587429973	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4nn(C)cc4c1)[C@@H](C2)C3=O	ZINC000587429976	EG	Annotated	Anodyne	
COc1cccc([C@@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587429983	EG	Annotated	Mild	
COc1cccc([C@]2(CC#N)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587429985	EG	Annotated	Mild	
CCCn1ncc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587430024	EG	Annotated	Anodyne	
CCCn1ncc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587430026	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O	ZINC000587430028	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccnn1[C@H]1CCCCO1)[C@@H](C2)C3=O	ZINC000587430029	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccnn1[C@@H]1CCCCO1)[C@@H](C2)C3=O	ZINC000587430030	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccnn1[C@H]1CCCCO1)[C@@H](C2)C3=O	ZINC000587430031	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cc(OC)c(F)cc41)[C@@H](C2)C3=O	ZINC000587430159	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cc(OC)c(F)cc41)[C@@H](C2)C3=O	ZINC000587430160	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(C)c4nccc(C)c14)[C@@H](C2)C3=O	ZINC000587430347	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(C)c4nccc(C)c14)[C@@H](C2)C3=O	ZINC000587430350	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1C[C@H]1CCCO1)[C@@H](C2)C3=O	ZINC000587430355	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1C[C@H]1CCCO1)[C@@H](C2)C3=O	ZINC000587430356	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1C[C@@H]1CCCO1)[C@@H](C2)C3=O	ZINC000587430357	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1C[C@@H]1CCCO1)[C@@H](C2)C3=O	ZINC000587430358	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-n4cncn4)c(C)c1)[C@@H](C2)C3=O	ZINC000587430361	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cncn4)c(C)c1)[C@@H](C2)C3=O	ZINC000587430363	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4cnn(C)c4c1)[C@@H](C2)C3=O	ZINC000587430411	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4cnn(C)c4c1)[C@@H](C2)C3=O	ZINC000587430412	EG	Annotated	Anodyne	
CCCCn1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C	ZINC000587430418	EG	Annotated	Anodyne	
CCCCn1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C	ZINC000587430420	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C(C)(C)C)nn1C)[C@@H](C2)C3=O	ZINC000587430439	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(C(C)(C)C)nn1C)[C@@H](C2)C3=O	ZINC000587430440	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O	ZINC000587430463	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnn(-c4ccccc4)c1)[C@@H](C2)C3=O	ZINC000587430464	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C=C(N(C)C)CC(C)(C)C1)[C@@H](C2)C3=O	ZINC000587430478	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C=C(N(C)C)CC(C)(C)C1)[C@@H](C2)C3=O	ZINC000587430479	EG	Annotated	Anodyne	
CC[C@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587430554	EG	Annotated	Anodyne	
CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587430555	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(CN=O)=COc4ccccc41)[C@@H](C2)C3=O	ZINC000587430626	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(CN=O)=COc4ccccc41)[C@@H](C2)C3=O	ZINC000587430630	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccn1)[C@@H](C2)C3=O	ZINC000587430642	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccn1)[C@@H](C2)C3=O	ZINC000587430643	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1C)[C@@H](C2)C3=O	ZINC000587430671	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1C)[C@@H](C2)C3=O	ZINC000587430672	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccn([C@@H]4CCCCO4)n1)[C@@H](C2)C3=O	ZINC000587430778	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccn([C@H]4CCCCO4)n1)[C@@H](C2)C3=O	ZINC000587430780	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccn([C@@H]4CCCCO4)n1)[C@@H](C2)C3=O	ZINC000587430782	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccn([C@H]4CCCCO4)n1)[C@@H](C2)C3=O	ZINC000587430785	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cnn(C)c1)[C@@H](C2)C3=O	ZINC000587430840	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cnn(C)c1)[C@@H](C2)C3=O	ZINC000587430841	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(CCNC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587431084	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(CCNC(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587431085	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc4c1cnn4C)[C@@H](C2)C3=O	ZINC000587431129	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc4c1cnn4C)[C@@H](C2)C3=O	ZINC000587431130	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CNC(C)C)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587431180	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CNC(C)C)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587431183	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O	ZINC000587431207	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-n4ccnc4)cc1)[C@@H](C2)C3=O	ZINC000587431209	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1Cn1cccn1)[C@@H](C2)C3=O	ZINC000587431225	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1Cn1cccn1)[C@@H](C2)C3=O	ZINC000587431226	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccn1)[C@@H](C2)C3=O	ZINC000587431322	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccccn1)[C@@H](C2)C3=O	ZINC000587431325	EG	Annotated	Anodyne	
CNc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-]	ZINC000587431380	EG	Annotated	Bother	
CNc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-]	ZINC000587431384	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@](C)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587431505	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](C)(c1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587431507	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@]1(C=C(C)Oc4cc(N)ccc41)[C@@H](C2)C3=O	ZINC000587431563	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C=C(C)Oc4cc(N)ccc41)[C@@H](C2)C3=O	ZINC000587431564	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)cn1)[C@@H](C2)C3=O	ZINC000587431585	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)cn1)[C@@H](C2)C3=O	ZINC000587431586	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1nc4ccccc4n1C)[C@@H](C2)C3=O	ZINC000587431591	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1nc4ccccc4n1C)[C@@H](C2)C3=O	ZINC000587431592	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4cn(C)nc4c1)[C@@H](C2)C3=O	ZINC000587431619	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4cn(C)nc4c1)[C@@H](C2)C3=O	ZINC000587431620	EG	Annotated	Anodyne	
CCn1ncc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587431631	EG	Annotated	Anodyne	
CCn1ncc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587431632	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cn(C)nc1C(C)(C)C)[C@@H](C2)C3=O	ZINC000587431703	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1C(C)(C)C)[C@@H](C2)C3=O	ZINC000587431704	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1nn(C)c4ccccc14)[C@@H](C2)C3=O	ZINC000587431746	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1nn(C)c4ccccc14)[C@@H](C2)C3=O	ZINC000587431748	EG	Annotated	Anodyne	
CCn1nc(C)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587431750	EG	Annotated	Anodyne	
CCn1nc(C)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587431760	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@]4(N)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587431793	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@]4(N)CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587431794	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1oc4cccnc4c1N)[C@@H](C2)C3=O	ZINC000587431815	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1oc4cccnc4c1N)[C@@H](C2)C3=O	ZINC000587431816	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(C)c1N)[C@@H](C2)C3=O	ZINC000587431881	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(C)c1N)[C@@H](C2)C3=O	ZINC000587431883	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cccc(NC(C)=O)c41)[C@@H](C2)C3=O	ZINC000587431946	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cccc(NC(C)=O)c41)[C@@H](C2)C3=O	ZINC000587431949	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cncn1Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587431995	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cncn1Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587431996	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O	ZINC000587431997	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@]1(CCc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O	ZINC000587431998	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccnn1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587432080	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccnn1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587432082	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(-n4cccn4)c1)[C@@H](C2)C3=O	ZINC000587432087	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(-n4cccn4)c1)[C@@H](C2)C3=O	ZINC000587432088	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@H](c4ccnn4C)C1)[C@@H](C2)C3=O	ZINC000587432103	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCC[C@H](c4ccnn4C)C1)[C@@H](C2)C3=O	ZINC000587432104	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H](c4ccnn4C)C1)[C@@H](C2)C3=O	ZINC000587432105	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](c4ccnn4C)C1)[C@@H](C2)C3=O	ZINC000587432106	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(-n4cccn4)c(C)c1)[C@@H](C2)C3=O	ZINC000587432129	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(-n4cccn4)c(C)c1)[C@@H](C2)C3=O	ZINC000587432130	EG	Annotated	Anodyne	
CCCn1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587432143	EG	Annotated	Anodyne	
CCCn1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587432144	EG	Annotated	Anodyne	
COCCn1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587432198	EG	Annotated	Anodyne	
COCCn1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C	ZINC000587432199	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nccn1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587432230	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nccn1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587432231	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccncc1)[C@@H](C2)C3=O	ZINC000587432253	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccncc1)[C@@H](C2)C3=O	ZINC000587432255	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C)on1)[C@@H](C2)C3=O	ZINC000587432257	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C)on1)[C@@H](C2)C3=O	ZINC000587432259	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O	ZINC000587432321	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O	ZINC000587432328	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1cccnc1)[C@@H](C2)C3=O	ZINC000587432342	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1Cc1cccnc1)[C@@H](C2)C3=O	ZINC000587432344	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O	ZINC000587432372	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@](CC[N+](=O)[O-])(c1ccccc1)[C@@H](C2)C3=O	ZINC000587432374	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C2)C3=O	ZINC000587432440	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccc(Cn4cccn4)c1)[C@@H](C2)C3=O	ZINC000587432458	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(Cn4cccn4)c1)[C@@H](C2)C3=O	ZINC000587432460	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O	ZINC000587432464	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-n4cccn4)cc1)[C@@H](C2)C3=O	ZINC000587432466	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1-n1cccn1)[C@@H](C2)C3=O	ZINC000587432472	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1cccn1)[C@@H](C2)C3=O	ZINC000587432473	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(N)cc(C(C)=O)c1)[C@@H](C2)C3=O	ZINC000587432512	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(N)cc(C(C)=O)c1)[C@@H](C2)C3=O	ZINC000587432513	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCc4c1cnn4C(C)C)[C@@H](C2)C3=O	ZINC000587432545	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnn4C(C)C)[C@@H](C2)C3=O	ZINC000587432546	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(-n4ccnc4)c1)[C@@H](C2)C3=O	ZINC000587432587	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(-n4ccnc4)c1)[C@@H](C2)C3=O	ZINC000587432588	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1-n1ccnc1)[C@@H](C2)C3=O	ZINC000587432617	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1-n1ccnc1)[C@@H](C2)C3=O	ZINC000587432618	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C2)C3=O	ZINC000587432673	EG	Annotated	Bother	
CC[C@@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587432778	EG	Annotated	Anodyne	
CC[C@]1(c2c(C)nn(C)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587432786	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC(c1cccn1C)(c1cccn1C)[C@@H](C2)C3=O	ZINC000587432800	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nccn1Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587432811	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nccn1Cc1ccccc1)[C@@H](C2)C3=O	ZINC000587432812	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O	ZINC000587432831	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O	ZINC000587432835	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O	ZINC000587432836	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H](c4cnn(C)c4)C1(C)C)[C@@H](C2)C3=O	ZINC000587432837	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C(C)C)nn(C)c1OC)[C@@H](C2)C3=O	ZINC000587432850	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C(C)C)nn(C)c1OC)[C@@H](C2)C3=O	ZINC000587432853	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(-c4ccco4)n(C)n1)[C@@H](C2)C3=O	ZINC000587432941	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccco4)n(C)n1)[C@@H](C2)C3=O	ZINC000587432943	EG	Annotated	Anodyne	
CCCn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	ZINC000587433141	EG	Annotated	Anodyne	
CCCn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	ZINC000587433142	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4c(cnn4C)c1)[C@@H](C2)C3=O	ZINC000587433145	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(cnn4C)c1)[C@@H](C2)C3=O	ZINC000587433146	EG	Annotated	Anodyne	
CCc1nn(C)c(CC)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587433177	EG	Annotated	Anodyne	
CCc1nn(C)c(CC)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587433178	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(NC(C)=O)cc1C)[C@@H](C2)C3=O	ZINC000587433283	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(NC(C)=O)cc1C)[C@@H](C2)C3=O	ZINC000587433284	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(C)=O)c1)[C@@H](C2)C3=O	ZINC000587433299	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(C)=O)c1)[C@@H](C2)C3=O	ZINC000587433300	EG	Annotated	Anodyne	
CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1N	ZINC000587433311	EG	Annotated	Anodyne	
CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1N	ZINC000587433312	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccccc4)n1)[C@@H](C2)C3=O	ZINC000587433393	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccccc4)n1)[C@@H](C2)C3=O	ZINC000587433394	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Cn4cccn4)cc1)[C@@H](C2)C3=O	ZINC000587433431	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4cccn4)cc1)[C@@H](C2)C3=O	ZINC000587433432	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](Cn1cccn1)(C(C)(C)C)[C@@H](C2)C3=O	ZINC000587433435	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](Cn1cccn1)(C(C)(C)C)[C@@H](C2)C3=O	ZINC000587433436	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccn(Cc4ccccc4)n1)[C@@H](C2)C3=O	ZINC000587433459	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccn(Cc4ccccc4)n1)[C@@H](C2)C3=O	ZINC000587433460	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnn(C(C)C)c1C)[C@@H](C2)C3=O	ZINC000587433463	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnn(C(C)C)c1C)[C@@H](C2)C3=O	ZINC000587433464	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)NC4CC4)cc1)[C@@H](C2)C3=O	ZINC000587433519	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)NC4CC4)cc1)[C@@H](C2)C3=O	ZINC000587433520	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cc(NC(C)=O)ccc41)[C@@H](C2)C3=O	ZINC000587433521	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cc(NC(C)=O)ccc41)[C@@H](C2)C3=O	ZINC000587433522	EG	Annotated	Anodyne	
CCn1cc([C@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	ZINC000587433534	EG	Annotated	Anodyne	
CCn1cc([C@@]2(CC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1	ZINC000587433535	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc4cnn(C)c14)[C@@H](C2)C3=O	ZINC000587433584	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc4cnn(C)c14)[C@@H](C2)C3=O	ZINC000587433586	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O	ZINC000587433617	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnn(Cc4ccccc4)c1)[C@@H](C2)C3=O	ZINC000587433618	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O	ZINC000587433836	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(C)=O)cc1)[C@@H](C2)C3=O	ZINC000587433930	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587434156	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587434157	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O	ZINC000587434262	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O	ZINC000587434263	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434272	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc(C)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434275	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434402	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434403	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@]1(CCc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O	ZINC000587434490	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@]1(CCc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O	ZINC000587434491	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434506	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434507	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434508	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434509	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O	ZINC000587434514	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O	ZINC000587434515	EG	Annotated	Bother	
CCC(CC)N1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587434537	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434643	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434644	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cccc(C)c1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434651	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cccc(C)c1[N+](=O)[O-])[C@@H](C2)C3=O	ZINC000587434652	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O	ZINC000587434678	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O	ZINC000587434679	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@H](c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587434686	EG	Annotated	Bother	
COc1cc2c3c(c1)O[C@@H](c1ccc(C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	ZINC000587434687	EG	Annotated	Bother	
CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1	ZINC000587434732	EG	Annotated	Anodyne	
CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1	ZINC000587434733	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4nnco4)cc1)[C@@H](C2)C3=O	ZINC000587434888	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nnco4)cc1)[C@@H](C2)C3=O	ZINC000587434894	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1nc4ccccc4nc1C)[C@@H](C2)C3=O	ZINC000587435000	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4nc1C)[C@@H](C2)C3=O	ZINC000587435003	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@@H]1CCCN1C)[C@@H](C2)C3=O	ZINC000587435066	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@@H]1CCCN1C)[C@@H](C2)C3=O	ZINC000587435067	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@H]1CCCN1C)[C@@H](C2)C3=O	ZINC000587435068	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@H]1CCCN1C)[C@@H](C2)C3=O	ZINC000587435069	EG	Annotated	Anodyne	
CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(C)ccc21	ZINC000587435111	EG	Annotated	Anodyne	
CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(C)ccc21	ZINC000587435112	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ncccn1)[C@@H](C2)C3=O	ZINC000587435179	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ncccn1)[C@@H](C2)C3=O	ZINC000587435180	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)cc(OC)nc1C)[C@@H](C2)C3=O	ZINC000587435189	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)cc(OC)nc1C)[C@@H](C2)C3=O	ZINC000587435196	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(O)ccc4cccnc14)[C@@H](C2)C3=O	ZINC000587435270	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4cccnc14)[C@@H](C2)C3=O	ZINC000587435281	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4cccnc4c1O)[C@@H](C2)C3=O	ZINC000587435319	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4cccnc4c1O)[C@@H](C2)C3=O	ZINC000587435321	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnc4cccnc4c1)[C@@H](C2)C3=O	ZINC000587435337	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnc4cccnc4c1)[C@@H](C2)C3=O	ZINC000587435338	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccco4)nc1)[C@@H](C2)C3=O	ZINC000587435364	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccco4)nc1)[C@@H](C2)C3=O	ZINC000587435366	EG	Annotated	Anodyne	
CCCOc1ncccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587435423	EG	Annotated	Anodyne	
CCCOc1ncccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587435424	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ncco1)[C@@H](C2)C3=O	ZINC000587435614	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ncco1)[C@@H](C2)C3=O	ZINC000587435616	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cncnc1)[C@@H](C2)C3=O	ZINC000587435908	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cncnc1)[C@@H](C2)C3=O	ZINC000587435909	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(c4cccnc4-c4ncccc41)[C@@H](C2)C3=O	ZINC000587435951	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccncn1)[C@@H](C2)C3=O	ZINC000587435956	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccncn1)[C@@H](C2)C3=O	ZINC000587435957	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1c1cncnc1)[C@@H](C2)C3=O	ZINC000587435959	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1c1cncnc1)[C@@H](C2)C3=O	ZINC000587435960	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1c1cncnc1)[C@@H](C2)C3=O	ZINC000587435961	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1c1cncnc1)[C@@H](C2)C3=O	ZINC000587435963	EG	Annotated	Anodyne	
CCc1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12	ZINC000587436034	EG	Annotated	Anodyne	
CCc1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccn12	ZINC000587436035	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(O)c4ccccc14)[C@@H](C2)C3=O	ZINC000587436036	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(O)c4ccccc14)[C@@H](C2)C3=O	ZINC000587436037	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(c4ncccc4-c4cccnc41)[C@@H](C2)C3=O	ZINC000587436089	EG	Annotated	Anodyne	
C=C1C=C(C)n2ncc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2N1	ZINC000587436099	EG	Annotated	Anodyne	
C=C1C=C(C)n2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2N1	ZINC000587436103	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587436120	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587436121	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O	ZINC000587436231	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)CCC(=O)N4C)[C@@H](C2)C3=O	ZINC000587436232	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(C)C)nc1)[C@@H](C2)C3=O	ZINC000587436239	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(C)C)nc1)[C@@H](C2)C3=O	ZINC000587436240	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC(c1ccccn1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587436277	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc4ccccc4nc1O)[C@@H](C2)C3=O	ZINC000587436379	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc4ccccc4nc1O)[C@@H](C2)C3=O	ZINC000587436380	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)N(C(C)C)c4ccccc41)[C@@H](C2)C3=O	ZINC000587436409	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)N(C(C)C)c4ccccc41)[C@@H](C2)C3=O	ZINC000587436410	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587436425	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(C)nc4ccccn14)[C@@H](C2)C3=O	ZINC000587436426	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O	ZINC000587436502	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O	ZINC000587436504	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnc4ccccc4n1)[C@@H](C2)C3=O	ZINC000587436515	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnc4ccccc4n1)[C@@H](C2)C3=O	ZINC000587436516	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnc4cc(C)nn4c1C)[C@@H](C2)C3=O	ZINC000587436529	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnc4cc(C)nn4c1C)[C@@H](C2)C3=O	ZINC000587436530	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cn4cc(C)ccc4n1)[C@@H](C2)C3=O	ZINC000587436559	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cn4cc(C)ccc4n1)[C@@H](C2)C3=O	ZINC000587436560	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nc4c(C)cccn14)[C@@H](C2)C3=O	ZINC000587436599	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nc4c(C)cccn14)[C@@H](C2)C3=O	ZINC000587436600	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](CCc1cnc(OC)cc1C)[C@@H](C2)C3=O	ZINC000587436606	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](CCc1cnc(OC)cc1C)[C@@H](C2)C3=O	ZINC000587436607	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccnc1OC(C)C)[C@@H](C2)C3=O	ZINC000587436648	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccnc1OC(C)C)[C@@H](C2)C3=O	ZINC000587436649	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC(c1cccnc1)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587436725	EG	Annotated	Anodyne	
C=C1C=C(C)n2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc2N1	ZINC000587436726	EG	Annotated	Anodyne	
C=C1C=C(C)n2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cnc2N1	ZINC000587436737	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4cccc(O)c4n1)[C@@H](C2)C3=O	ZINC000587436791	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(O)c4n1)[C@@H](C2)C3=O	ZINC000587436793	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C[C@@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587436827	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C[C@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587436828	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C[C@@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587436829	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C[C@H](C)C#N)(c1cccnc1)[C@@H](C2)C3=O	ZINC000587436831	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC)nc1C)[C@@H](C2)C3=O	ZINC000587436927	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](CCc1ccc(OC)nc1C)[C@@H](C2)C3=O	ZINC000587436928	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nc4ccc(C)cn14)[C@@H](C2)C3=O	ZINC000587436945	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nc4ccc(C)cn14)[C@@H](C2)C3=O	ZINC000587436946	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nc4cc(C)ccn14)[C@@H](C2)C3=O	ZINC000587436985	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nc4cc(C)ccn14)[C@@H](C2)C3=O	ZINC000587436987	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587436989	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccccn1)[C@@H](C2)C3=O	ZINC000587436991	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(C)cnc1OC)[C@@H](C2)C3=O	ZINC000587437011	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cnc1OC)[C@@H](C2)C3=O	ZINC000587437013	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccn4)nc1)[C@@H](C2)C3=O	ZINC000587437062	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccn4)nc1)[C@@H](C2)C3=O	ZINC000587437064	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ncon4)cc1)[C@@H](C2)C3=O	ZINC000587437123	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ncon4)cc1)[C@@H](C2)C3=O	ZINC000587437125	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC(c1ccncc1)(c1ccncc1)[C@@H](C2)C3=O	ZINC000587437353	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(O)ccc4ncccc14)[C@@H](C2)C3=O	ZINC000587437393	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(O)ccc4ncccc14)[C@@H](C2)C3=O	ZINC000587437396	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc4nc(OC)ccc4[nH]1)[C@@H](C2)C3=O	ZINC000587437542	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc4nc(OC)ccc4[nH]1)[C@@H](C2)C3=O	ZINC000587437544	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O	ZINC000587437553	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(C(=O)O)ccc14)[C@@H](C2)C3=O	ZINC000587437555	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O	ZINC000587437601	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@H]1C)[C@@H](C2)C3=O	ZINC000587437603	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CN(Cc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O	ZINC000587437605	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CN(Cc4ccccc4)C[C@@H]1C)[C@@H](C2)C3=O	ZINC000587437606	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCN(CC=C(C)C)CC1)[C@@H](C2)C3=O	ZINC000587437621	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccnc(OC)c14)[C@@H](C2)C3=O	ZINC000587437651	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccnc(OC)c14)[C@@H](C2)C3=O	ZINC000587437652	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cc4ccc[nH]4)[nH]1)[C@@H](C2)C3=O	ZINC000587437821	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(Cc4ccc[nH]4)[nH]1)[C@@H](C2)C3=O	ZINC000587437825	EG	Annotated	Anodyne	
CCC[C@@H](C)OC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587437881	EG	Annotated	Anodyne	
CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587437882	EG	Annotated	Anodyne	
CCC[C@@H](C)OC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587437883	EG	Annotated	Anodyne	
CCC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587437884	EG	Annotated	Anodyne	
CCC[C@@]1(c2c(C)n[nH]c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587438081	EG	Annotated	Anodyne	
CCC[C@]1(c2c(C)n[nH]c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587438084	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OCC(C)=O)c1)[C@@H](C2)C3=O	ZINC000587438244	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OCC(C)=O)c1)[C@@H](C2)C3=O	ZINC000587438246	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccccc14)[C@@H](C2)C3=O	ZINC000587438334	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccccc14)[C@@H](C2)C3=O	ZINC000587438335	EG	Annotated	Anodyne	
CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587438336	EG	Annotated	Anodyne	
CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587438337	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCN(C4CCCC4)CC1)[C@@H](C2)C3=O	ZINC000587438350	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCN(CCC(C)C)CC1)[C@@H](C2)C3=O	ZINC000587438400	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(C(C)C)cc41)[C@@H](C2)C3=O	ZINC000587438585	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(C(C)C)cc41)[C@@H](C2)C3=O	ZINC000587438586	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc4cn(C)nc14)[C@@H](C2)C3=O	ZINC000587438637	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc4cn(C)nc14)[C@@H](C2)C3=O	ZINC000587438639	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCCCN1)[C@@H](C2)C3=O	ZINC000587438668	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCCCN1)[C@@H](C2)C3=O	ZINC000587438671	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCCCN1)[C@@H](C2)C3=O	ZINC000587438673	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCCCN1)[C@@H](C2)C3=O	ZINC000587438676	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(-c4ncon4)c1)[C@@H](C2)C3=O	ZINC000587438810	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ncon4)c1)[C@@H](C2)C3=O	ZINC000587438811	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C[C@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587438853	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587438854	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C[C@@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587438856	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C[C@H](C)C(=O)OC(C)(C)C)[C@@H](C2)C3=O	ZINC000587438857	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(C(=O)O)c14)[C@@H](C2)C3=O	ZINC000587438930	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(C(=O)O)c14)[C@@H](C2)C3=O	ZINC000587438931	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1[nH]c(O)nc1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587438957	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1[nH]c(O)nc1-c1ccccc1)[C@@H](C2)C3=O	ZINC000587438958	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCN(Cc4ccco4)CC1)[C@@H](C2)C3=O	ZINC000587438959	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ncc[nH]1)[C@@H](C2)C3=O	ZINC000587438973	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ncc[nH]1)[C@@H](C2)C3=O	ZINC000587438974	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O	ZINC000587438988	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O	ZINC000587438989	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O	ZINC000587438991	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H](C)N(Cc4ccccc4)C1)[C@@H](C2)C3=O	ZINC000587438994	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCC(c4nc(C)no4)CC1)[C@@H](C2)C3=O	ZINC000587439055	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(=O)O)c1C)[C@@H](C2)C3=O	ZINC000587439059	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C)[C@@H](C2)C3=O	ZINC000587439063	EG	Annotated	Anodyne	
COc1ccc2c(c1)NCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587439138	EG	Annotated	Anodyne	
COc1ccc2c(c1)NCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587439142	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1n[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O	ZINC000587439153	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1n[nH]c4ccc(OC)cc14)[C@@H](C2)C3=O	ZINC000587439154	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O	ZINC000587439297	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ncc[nH]1)[C@@H](C2)C3=O	ZINC000587439302	EG	Annotated	Anodyne	
CCOC(=O)C1([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCC1	ZINC000587439356	EG	Annotated	Anodyne	
CCOC(=O)C1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CCCC1	ZINC000587439358	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(N4CCC4=O)c1)[C@@H](C2)C3=O	ZINC000587439496	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4CCC4=O)c1)[C@@H](C2)C3=O	ZINC000587439499	EG	Annotated	Anodyne	
CCOC(=O)CC1CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587439523	EG	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2	ZINC000587439698	EG	Annotated	Anodyne	
CCCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)C(=O)N2	ZINC000587439699	EG	Annotated	Anodyne	
COCCOc1ccccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587439759	EG	Annotated	Anodyne	
COCCOc1ccccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587439760	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1	ZINC000587439783	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C1	ZINC000587439784	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1	ZINC000587439785	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H](C)C1	ZINC000587439786	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCN(c4ccccc4)CC1)[C@@H](C2)C3=O	ZINC000587439852	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CC(C)(C)N(C)C(C)(C)C1)[C@@H](C2)C3=O	ZINC000587439880	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587439932	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1cnoc1)(c1ccccc1O)[C@@H](C2)C3=O	ZINC000587439934	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587439936	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@H](C)N[C@@H]4CCCC[C@H]41)[C@@H](C2)C3=O	ZINC000587439937	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1cnoc1)(c1ccccc1O)[C@@H](C2)C3=O	ZINC000587439940	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@H](C)N[C@@H]4CCCC[C@H]41)[C@@H](C2)C3=O	ZINC000587439941	EG	Annotated	Anodyne	
COCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587439956	EG	Annotated	Anodyne	
COCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587439958	EG	Annotated	Anodyne	
C#CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587440000	EG	Annotated	Mild	
C#CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587440002	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(C1CCNCC1)[C@@H](C2)C3=O	ZINC000587440063	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1[nH]c(C)c(C(=O)O)c1C)[C@@H](C2)C3=O	ZINC000587440067	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1[nH]c(C)c(C(=O)O)c1C)[C@@H](C2)C3=O	ZINC000587440068	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)(C1CCNCC1)[C@@H](C2)C3=O	ZINC000587440080	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Oc1ccccc1O)[C@@H](C2)C3=O	ZINC000587440127	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@@H](C)Oc1ccccc1O)[C@@H](C2)C3=O	ZINC000587440128	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@H](C)Oc1ccccc1O)[C@@H](C2)C3=O	ZINC000587440129	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@H](C)Oc1ccccc1O)[C@@H](C2)C3=O	ZINC000587440130	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4n[nH]c(C)c41)[C@@H](C2)C3=O	ZINC000587440134	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4n[nH]c(C)c41)[C@@H](C2)C3=O	ZINC000587440135	EG	Annotated	Anodyne	
CC[C@]1(c2ccc(O)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440148	EG	Annotated	Anodyne	
CC[C@@]1(c2ccc(O)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440160	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@H](C)O)[C@@H](C2)C3=O	ZINC000587440181	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@@H](C)O)[C@@H](C2)C3=O	ZINC000587440182	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1c[nH]c4ccccc14)([C@@H](C)O)[C@@H](C2)C3=O	ZINC000587440183	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1c[nH]c4ccccc14)([C@H](C)O)[C@@H](C2)C3=O	ZINC000587440184	EG	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587440198	EG	Annotated	Anodyne	
CCC(=O)Oc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587440199	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587440230	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587440232	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440233	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H](C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440235	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H](C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440236	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440237	EG	Annotated	Anodyne	
CCC[C@@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440240	EG	Annotated	Anodyne	
CCC[C@@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440241	EG	Annotated	Anodyne	
CCC[C@H](C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440243	EG	Annotated	Anodyne	
CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440245	EG	Annotated	Anodyne	
CCOC(=O)C1(C)CCC2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440263	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440272	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440273	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](C(C)C)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440274	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](C(C)C)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440275	EG	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440282	EG	Annotated	Anodyne	
CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440283	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440284	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](CC)[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440285	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(CC(=O)OCCC(C)C)[C@@H](C2)C3=O	ZINC000587440338	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(CC(=O)OCCC(C)C)[C@@H](C2)C3=O	ZINC000587440339	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCN(c4ccccc4)C(=O)C1)[C@@H](C2)C3=O	ZINC000587440420	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCN(c4ccccc4)C(=O)C1)[C@@H](C2)C3=O	ZINC000587440421	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccnc(N4CCCC4)c1)[C@@H](C2)C3=O	ZINC000587440499	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccnc(N4CCCC4)c1)[C@@H](C2)C3=O	ZINC000587440500	EG	Annotated	Anodyne	
CCCCC[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440726	EG	Annotated	Anodyne	
CCCCC[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587440728	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCC(=O)Nc4ccccc41)[C@@H](C2)C3=O	ZINC000587440742	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC(=O)Nc4ccccc41)[C@@H](C2)C3=O	ZINC000587440747	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440781	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440784	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CCCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440788	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CCCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587440791	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4[nH]nc(OC)c4c1)[C@@H](C2)C3=O	ZINC000587440848	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4[nH]nc(OC)c4c1)[C@@H](C2)C3=O	ZINC000587440851	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587440865	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587440869	EG	Annotated	Anodyne	
CCOc1ccc(C(=O)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587440899	EG	Annotated	Anodyne	
CCOc1ccc(C(=O)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587440900	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCN(C4CCCC4)C1)[C@@H](C2)C3=O	ZINC000587440975	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCN(C4CCCC4)C1)[C@@H](C2)C3=O	ZINC000587440976	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OCCN4C)[C@@H](C2)C3=O	ZINC000587441012	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OCCN4C)[C@@H](C2)C3=O	ZINC000587441015	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CN(C1CC1)C4)[C@@H](C2)C3=O	ZINC000587441017	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CN(C(C)C)C4)[C@@H](C2)C3=O	ZINC000587441076	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587441079	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587441083	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CNCC4)[C@@H](C2)C3=O	ZINC000587441123	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CNCC4)[C@@H](C2)C3=O	ZINC000587441138	EG	Annotated	Anodyne	
CC/C=C/CCOC(=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441162	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O	ZINC000587441168	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O	ZINC000587441170	EG	Annotated	Anodyne	
CC/C=C\CCOC(=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441172	EG	Annotated	Anodyne	
CC/C=C/CCOC(=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441174	EG	Annotated	Anodyne	
CC/C=C\CCOC(=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441176	EG	Annotated	Anodyne	
CC[C@@]1([C@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441208	EG	Annotated	Anodyne	
CC[C@]1([C@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441210	EG	Annotated	Anodyne	
CC[C@]1([C@@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441212	EG	Annotated	Anodyne	
CC[C@@]1([C@@H](C(=O)OC)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441214	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O	ZINC000587441259	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O	ZINC000587441262	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1([C@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441273	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1([C@@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441276	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1([C@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441279	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1([C@@H](C)CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587441283	EG	Annotated	Anodyne	
CCc1cc(OC)c(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441330	EG	Annotated	Anodyne	
CCc1cc(OC)c(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441332	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441362	EG	Annotated	Anodyne	
COc1cc(OC)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441365	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cccc(OC)c4C1)[C@@H](C2)C3=O	ZINC000587441485	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)nc1)[C@@H](C2)C3=O	ZINC000587441487	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)nc1)[C@@H](C2)C3=O	ZINC000587441488	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cccc(OC)c4C1)[C@@H](C2)C3=O	ZINC000587441494	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(C[C@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587441515	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587441517	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587441520	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(C[C@@H]1C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587441523	EG	Annotated	Anodyne	
COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1	ZINC000587441638	EG	Annotated	Anodyne	
COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1	ZINC000587441642	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O	ZINC000587441679	EG	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1	ZINC000587441681	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O	ZINC000587441683	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1	ZINC000587441684	EG	Annotated	Anodyne	
CCOc1cc(O)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441731	EG	Annotated	Anodyne	
CCOc1cc(O)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441735	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(O)ccc1OC)[C@@H](C2)C3=O	ZINC000587441744	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(O)ccc1OC)[C@@H](C2)C3=O	ZINC000587441747	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCC4)o1)[C@@H](C2)C3=O	ZINC000587441777	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCC4)o1)[C@@H](C2)C3=O	ZINC000587441780	EG	Annotated	Anodyne	
CCOc1ccc(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441799	EG	Annotated	Anodyne	
CCOc1ccc(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587441800	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCNc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587441871	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCNc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587441872	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C)o1)[C@@H](C2)C3=O	ZINC000587441917	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C)o1)[C@@H](C2)C3=O	ZINC000587441918	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(COc1cccc(C=O)c1)[C@@H](C2)C3=O	ZINC000587441919	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(COc1cccc(C=O)c1)[C@@H](C2)C3=O	ZINC000587441920	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1	ZINC000587441972	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1	ZINC000587441973	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1	ZINC000587441974	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1	ZINC000587441975	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H]([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1	ZINC000587442029	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@H]([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1	ZINC000587442032	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442034	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442037	EG	Annotated	Anodyne	
CCCC[C@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442074	EG	Annotated	Anodyne	
CCCC[C@@]1(CC(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442077	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442080	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442084	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442088	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442091	EG	Annotated	Anodyne	
CCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O	ZINC000587442152	EG	Annotated	Anodyne	
CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1O	ZINC000587442155	EG	Annotated	Anodyne	
CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CO	ZINC000587442165	EG	Annotated	Anodyne	
CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CO	ZINC000587442174	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442177	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(C2CCCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442181	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442194	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442196	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442210	EG	Annotated	Anodyne	
CCOC(=O)C[C@H]1CCCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442214	EG	Annotated	Anodyne	
CCOC(=O)C[C@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442217	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442221	EG	Annotated	Anodyne	
COC(=O)[C@H]1CCC(C)(C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442260	EG	Annotated	Anodyne	
COC(=O)[C@H]1CCC(C)(C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442262	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442265	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587442266	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1OC)[C@@H](C2)C3=O	ZINC000587442269	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1OC)[C@@H](C2)C3=O	ZINC000587442271	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442279	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587442290	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4c(cccc4OC)C1)[C@@H](C2)C3=O	ZINC000587442328	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4c(cccc4OC)C1)[C@@H](C2)C3=O	ZINC000587442330	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(O)cc1)[C@@H](C2)C3=O	ZINC000587442495	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(O)cc1)[C@@H](C2)C3=O	ZINC000587442496	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC(C)C)([C@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587442511	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CC(C)C)([C@@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587442512	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC(C)C)([C@@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587442513	EG	Annotated	Anodyne	
CCC[C@]1([C@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442537	EG	Annotated	Anodyne	
CCC[C@]1([C@@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442538	EG	Annotated	Anodyne	
CCC[C@@]1([C@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442539	EG	Annotated	Anodyne	
CCC[C@@]1([C@@H](C)C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442540	EG	Annotated	Anodyne	
COC1=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2C1=O	ZINC000587442721	EG	Annotated	Mild	
COC1=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc2C1=O	ZINC000587442729	EG	Annotated	Mild	
COc1ccc2c(c1)C[C@@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442745	EG	Annotated	Anodyne	
COc1ccc2c(c1)C[C@]1(CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587442747	EG	Annotated	Anodyne	
COCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC	ZINC000587442775	EG	Annotated	Anodyne	
COCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC	ZINC000587442776	EG	Annotated	Anodyne	
COC(=O)c1cc(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587442799	EG	Annotated	Anodyne	
COC(=O)c1cc(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587442801	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CC(C)C)([C@H]1CCCNC1)[C@@H](C2)C3=O	ZINC000587442805	EG	Annotated	Anodyne	
CCCCOC(=O)CC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443023	EG	Annotated	Anodyne	
CCCCOC(=O)CC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443024	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(C)=O)c1)[C@@H](C2)C3=O	ZINC000587443027	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(C)=O)c1)[C@@H](C2)C3=O	ZINC000587443029	EG	Annotated	Anodyne	
COCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587443052	EG	Annotated	Anodyne	
COCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587443053	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1([C@H]4CC[C@H]1CN(C(C)(C)C)C4)[C@@H](C2)C3=O	ZINC000587443102	EG	Annotated	Anodyne	
COC1=CC(=O)c2ccccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587443187	EG	Annotated	Mild	
COC1=CC(=O)c2ccccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587443188	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(O)c1)[C@@H](C2)C3=O	ZINC000587443273	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(O)c1)[C@@H](C2)C3=O	ZINC000587443275	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(OC)c1OC)[C@@H](C2)C3=O	ZINC000587443370	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(OC)c1OC)[C@@H](C2)C3=O	ZINC000587443371	EG	Annotated	Anodyne	
CCCCCOC(=O)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443451	EG	Annotated	Anodyne	
CCCCCOC(=O)C[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587443453	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1	ZINC000587443661	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC)c1	ZINC000587443670	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444103	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C2CCCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444105	EG	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587444119	EG	Annotated	Anodyne	
CCCCOC(=O)[C@@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587444123	EG	Annotated	Anodyne	
CCCCOC(=O)[C@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587444126	EG	Annotated	Anodyne	
CCCCOC(=O)[C@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3	ZINC000587444128	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(O)c(OC)c1)[C@@H](C2)C3=O	ZINC000587444261	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(O)c(OC)c1)[C@@H](C2)C3=O	ZINC000587444265	EG	Annotated	Anodyne	
COCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587444311	EG	Annotated	Anodyne	
COCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587444327	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444488	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444489	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(Cc1ccc(O)c(OC)c1)[C@@H](C2)C3=O	ZINC000587444549	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(O)c(OC)c1)[C@@H](C2)C3=O	ZINC000587444550	EG	Annotated	Anodyne	
COC(=O)c1cccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587444752	EG	Annotated	Anodyne	
COC(=O)c1cccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587444754	EG	Annotated	Anodyne	
COCc1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587444760	EG	Annotated	Anodyne	
COCc1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587444762	EG	Annotated	Anodyne	
CCC[C@]1([C@@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444764	EG	Annotated	Anodyne	
CCC[C@@]1([C@@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444766	EG	Annotated	Anodyne	
CCC[C@@]1([C@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444768	EG	Annotated	Anodyne	
CCC[C@]1([C@H](CC)C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587444770	EG	Annotated	Anodyne	
COc1ccc(COC[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587444850	EG	Annotated	Anodyne	
COc1ccc(COC[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	ZINC000587444852	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O	ZINC000587444956	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(OC)c1)[C@@H](C2)C3=O	ZINC000587444957	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445037	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445038	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O	ZINC000587445180	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)ccc1OC)[C@@H](C2)C3=O	ZINC000587445183	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(OC)cccc1OC)[C@@H](C2)C3=O	ZINC000587445393	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(OC)cccc1OC)[C@@H](C2)C3=O	ZINC000587445395	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1	ZINC000587445416	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1	ZINC000587445418	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(OC)cccc1OC)[C@@H](C2)C3=O	ZINC000587445436	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(OC)cccc1OC)[C@@H](C2)C3=O	ZINC000587445437	EG	Annotated	Anodyne	
COCOc1ccccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445448	EG	Annotated	Anodyne	
COCOc1ccccc1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445450	EG	Annotated	Anodyne	
C/C=C/CC[C@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445460	EG	Annotated	Anodyne	
C/C=C/CC[C@@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445462	EG	Annotated	Anodyne	
C/C=C\CC[C@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445464	EG	Annotated	Anodyne	
C/C=C\CC[C@@]1(CC(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587445466	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587446297	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587446299	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587446300	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587446301	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H]4CC[C@@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587446302	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]4CC[C@]1(C)C4(C)C)[C@@H](C2)C3=O	ZINC000587446303	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@H](C)CCCCC(=O)O)[C@@H](C2)C3=O	ZINC000587446321	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@@H](C)CCCCC(=O)O)[C@@H](C2)C3=O	ZINC000587446322	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@@H](C)CCCCC(=O)O)[C@@H](C2)C3=O	ZINC000587446323	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@H](C)CCCCC(=O)O)[C@@H](C2)C3=O	ZINC000587446324	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc(CCC(=O)O)c1)[C@@H](C2)C3=O	ZINC000587446812	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc(CCC(=O)O)c1)[C@@H](C2)C3=O	ZINC000587446813	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@@]4(C)CC(=O)C[C@@]4(C)C1)[C@@H](C2)C3=O	ZINC000587447010	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@@]4(C)CC(=O)C[C@@]4(C)C1)[C@@H](C2)C3=O	ZINC000587447011	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H](C2)C3=O	ZINC000587447129	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H](CC(=O)O)C1(C)C)[C@@H](C2)C3=O	ZINC000587447130	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587447139	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccccc1)[C@@H](C2)C3=O	ZINC000587447140	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CC1CCCCC1)(C(=O)O)[C@@H](C2)C3=O	ZINC000587447349	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CC1CCCCC1)(C(=O)O)[C@@H](C2)C3=O	ZINC000587447350	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C)CC[C@@H]1C4(C)C)[C@@H](C2)C3=O	ZINC000587447465	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)[C@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O	ZINC000587447467	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)[C@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O	ZINC000587447468	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C)CC[C@@H]1C4(C)C)[C@@H](C2)C3=O	ZINC000587447471	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O	ZINC000587447472	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C(=O)[C@@]4(C)CC[C@H]1C4(C)C)[C@@H](C2)C3=O	ZINC000587447473	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1CCC(=O)O)[C@@H](C2)C3=O	ZINC000587447956	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1CCC(=O)O)[C@@H](C2)C3=O	ZINC000587447957	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1CCC(=O)O)[C@@H](C2)C3=O	ZINC000587447959	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1CCC(=O)O)[C@@H](C2)C3=O	ZINC000587447960	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O	ZINC000587448271	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O	ZINC000587448272	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O	ZINC000587448273	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O	ZINC000587448274	EG	Annotated	Anodyne	
CC[C@]1(c2ccc(C(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587448547	EG	Annotated	Anodyne	
CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587448548	EG	Annotated	Anodyne	
CCOCc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587448658	EG	Annotated	Anodyne	
CCOCc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587448659	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1cccs1)[C@@H](C2)C3=O	ZINC000587448724	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccs1)[C@@H](C2)C3=O	ZINC000587448727	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1cccs1)[C@@H](C2)C3=O	ZINC000587448728	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccs1)[C@@H](C2)C3=O	ZINC000587448729	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1(CCC4(CC1)CC(C(=O)O)C4)[C@@H](C2)C3=O	ZINC000587448781	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@](C)(O)C[C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O	ZINC000587448788	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@@](C)(O)C[C@@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O	ZINC000587448789	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@](C)(O)C[C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O	ZINC000587448790	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@@](C)(O)C[C@H]1C[C@H]4CC[C@H]1C4)[C@@H](C2)C3=O	ZINC000587448792	EG	Annotated	Anodyne	
CCCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1	ZINC000587448969	EG	Annotated	Anodyne	
CCCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1	ZINC000587448971	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587448997	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587448999	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(CC#N)s1)[C@@H](C2)C3=O	ZINC000587449029	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@](C)(c1ccc(CC#N)s1)[C@@H](C2)C3=O	ZINC000587449032	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](CCl)(CCSC(C)=O)[C@@H](C2)C3=O	ZINC000587449036	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@](CCl)(CCSC(C)=O)[C@@H](C2)C3=O	ZINC000587449038	EG	Annotated	Reactive	
COc1cc2c3c(c1)O[C@H](c1ccc(C#N)c(SC)n1)[C@@H](C2)C3=O	ZINC000587449055	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(C#N)c(SC)n1)[C@@H](C2)C3=O	ZINC000587449057	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc(C)nc1S)[C@@H](C2)C3=O	ZINC000587449065	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(C)nc(C)nc1S)[C@@H](C2)C3=O	ZINC000587449066	EG	Annotated	Anodyne	
COC(=O)c1csc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587449116	EG	Annotated	Anodyne	
COC(=O)c1csc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587449119	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1([C@H]4CCO[C@H]4C14CCCC4)[C@@H](C2)C3=O	ZINC000587449308	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1([C@H]4CCO[C@H]4C14CCCC4)[C@@H](C2)C3=O	ZINC000587449311	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2	ZINC000587449411	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)C(C)(C)[C@H]2CC[C@@]1(C(=O)O)C2	ZINC000587449419	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(/C=C/C(=O)O)cc1)[C@@H](C2)C3=O	ZINC000587449485	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(/C=C/C(=O)O)cc1)[C@@H](C2)C3=O	ZINC000587449488	EG	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587449505	EG	Annotated	Anodyne	
COc1ccc2c(c1)OCC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587449510	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587449601	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1nc4c(s1)CCC4)[C@@H](C2)C3=O	ZINC000587449620	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1nc4c(s1)CCC4)[C@@H](C2)C3=O	ZINC000587449624	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc([S@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587449632	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc([S@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587449641	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc([S@@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587449643	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc([S@@](C)=O)cc1)[C@@H](C2)C3=O	ZINC000587449645	EG	Annotated	Anodyne	
CCN(CC)c1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587449674	EG	Annotated	Anodyne	
CCN(CC)c1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587449676	EG	Annotated	Anodyne	
CCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1	ZINC000587449866	EG	Annotated	Anodyne	
CCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1	ZINC000587449867	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(C(=O)O)c(C)cc1C)[C@@H](C2)C3=O	ZINC000587449901	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)O)c(C)cc1C)[C@@H](C2)C3=O	ZINC000587449902	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587449958	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587449959	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587449961	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1coc4ccccc4c1=O)[C@@H](C2)C3=O	ZINC000587450079	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1coc4ccccc4c1=O)[C@@H](C2)C3=O	ZINC000587450080	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](CCc1ccc4c(c1)CCO4)[C@@H](C2)C3=O	ZINC000587450147	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(N4CCCC4)s1)[C@@H](C2)C3=O	ZINC000587450149	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](CCc1ccc4c(c1)CCO4)[C@@H](C2)C3=O	ZINC000587450150	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587450152	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4ccc(OC)cc41)[C@@H](C2)C3=O	ZINC000587450154	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCCC4)s1)[C@@H](C2)C3=O	ZINC000587450157	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(NC(C)=O)s1)[C@@H](C2)C3=O	ZINC000587450169	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(NC(C)=O)s1)[C@@H](C2)C3=O	ZINC000587450175	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](c1ncc[nH]1)(c1cccs1)[C@@H](C2)C3=O	ZINC000587450204	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](c1ncc[nH]1)(c1cccs1)[C@@H](C2)C3=O	ZINC000587450210	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]([C@@H]4CCOC4)C1)[C@@H](C2)C3=O	ZINC000587450233	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@H]([C@H]4CCOC4)C1)[C@@H](C2)C3=O	ZINC000587450241	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@H]([C@@H]4CCOC4)C1)[C@@H](C2)C3=O	ZINC000587450244	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCC[C@@H]([C@H]4CCOC4)C1)[C@@H](C2)C3=O	ZINC000587450248	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1scc4c1OCCO4)[C@@H](C2)C3=O	ZINC000587450298	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1scc4c1OCCO4)[C@@H](C2)C3=O	ZINC000587450300	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1sc(C(=O)O)cc1C)[C@@H](C2)C3=O	ZINC000587450398	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sc(C(=O)O)cc1C)[C@@H](C2)C3=O	ZINC000587450400	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(C)nc4sccn14)[C@@H](C2)C3=O	ZINC000587450581	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(C)nc4sccn14)[C@@H](C2)C3=O	ZINC000587450583	EG	Annotated	Anodyne	
COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CC(C(=O)O)C4)[C@@H](C2)C3=O	ZINC000587450644	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4nc(Cl)sc4C1)[C@@H](C2)C3=O	ZINC000587450653	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4nc(Cl)sc4C1)[C@@H](C2)C3=O	ZINC000587450655	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O	ZINC000587450724	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O	ZINC000587450725	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1scc4c1OCCO4)[C@@H](C2)C3=O	ZINC000587450762	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1scc4c1OCCO4)[C@@H](C2)C3=O	ZINC000587450763	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](CC1CCC4(CC1)OCCO4)[C@@H](C2)C3=O	ZINC000587450812	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](CC1CCC4(CC1)OCCO4)[C@@H](C2)C3=O	ZINC000587450815	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4ccc5c(c41)CCO5)[C@@H](C2)C3=O	ZINC000587450840	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4ccc5c(c41)CCO5)[C@@H](C2)C3=O	ZINC000587450843	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587450919	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1	ZINC000587450920	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(CN(C)C)cs1)[C@@H](C2)C3=O	ZINC000587451020	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(CN(C)C)cs1)[C@@H](C2)C3=O	ZINC000587451021	EG	Annotated	Anodyne	
COC(=O)c1ccsc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587451126	EG	Annotated	Anodyne	
COC(=O)c1ccsc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587451128	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccccc1/C=C/C(=O)O)[C@@H](C2)C3=O	ZINC000587451193	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccccc1/C=C/C(=O)O)[C@@H](C2)C3=O	ZINC000587451194	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1nccs1)[C@@H](C2)C3=O	ZINC000587451275	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1nccs1)[C@@H](C2)C3=O	ZINC000587451276	EG	Annotated	Anodyne	
CCOC(=O)c1ccsc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587451663	EG	Annotated	Anodyne	
CCOC(=O)c1ccsc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587451664	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H](C2)C3=O	ZINC000587451767	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1ccc(C#CC(C)(C)O)cc1)[C@@H](C2)C3=O	ZINC000587451774	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@@H]1C)[C@@H](C2)C3=O	ZINC000587451903	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@H]1C)[C@@H](C2)C3=O	ZINC000587451907	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)C(C)(C)[C@@H]1C)[C@@H](C2)C3=O	ZINC000587451909	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)C(C)(C)[C@H]1C)[C@@H](C2)C3=O	ZINC000587451911	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(CCc1ccc(O)c(O)c1)[C@@H](C2)C3=O	ZINC000587451913	EG	Annotated	Clean	
COc1cc2c3c(c1)O[C@@](C)(CCc1ccc(O)c(O)c1)[C@@H](C2)C3=O	ZINC000587451915	EG	Annotated	Clean	
CCc1oc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)OC	ZINC000587452087	EG	Annotated	Anodyne	
CCc1oc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(=O)OC	ZINC000587452089	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cccc4c1OCCCO4)[C@@H](C2)C3=O	ZINC000587452093	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cccc4c1OCCCO4)[C@@H](C2)C3=O	ZINC000587452095	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1csc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587452151	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1csc(C(=O)O)c1)[C@@H](C2)C3=O	ZINC000587452154	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc4c(cc1C)OCCO4)[C@@H](C2)C3=O	ZINC000587452204	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1C)OCCO4)[C@@H](C2)C3=O	ZINC000587452206	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sccc1NC(C)=O)[C@@H](C2)C3=O	ZINC000587452209	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1sccc1NC(C)=O)[C@@H](C2)C3=O	ZINC000587452210	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)ccc1C)[C@@H](C2)C3=O	ZINC000587452376	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)ccc1C)[C@@H](C2)C3=O	ZINC000587452377	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O	ZINC000587452458	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O	ZINC000587452459	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CC[C@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O	ZINC000587452460	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CC[C@@H](C(=O)O)C(C)(C)C1)[C@@H](C2)C3=O	ZINC000587452461	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4oc(CO)cc4c1)[C@@H](C2)C3=O	ZINC000587452643	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4oc(CO)cc4c1)[C@@H](C2)C3=O	ZINC000587452652	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1sc(N(C)C)nc1C)[C@@H](C2)C3=O	ZINC000587452757	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cc(C(=O)O)cs1)[C@@H](C2)C3=O	ZINC000587452793	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(C(=O)O)cs1)[C@@H](C2)C3=O	ZINC000587452794	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sc(N(C)C)nc1C)[C@@H](C2)C3=O	ZINC000587453128	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccc(C(=O)O)s1)[C@@H](C2)C3=O	ZINC000587453133	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)O)s1)[C@@H](C2)C3=O	ZINC000587453134	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCN(C)C)(c1cccs1)[C@@H](C2)C3=O	ZINC000587453187	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCN(C)C)(c1cccs1)[C@@H](C2)C3=O	ZINC000587453188	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O	ZINC000587453189	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cccs1)[C@@H](C2)C3=O	ZINC000587453190	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sc(OC)nc1Cl)[C@@H](C2)C3=O	ZINC000587453195	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1sc(OC)nc1Cl)[C@@H](C2)C3=O	ZINC000587453196	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1ccsc1C(=O)O)[C@@H](C2)C3=O	ZINC000587453425	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1ccsc1C(=O)O)[C@@H](C2)C3=O	ZINC000587453427	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCOc4c(OC)cccc41)[C@@H](C2)C3=O	ZINC000587453442	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCOc4c(OC)cccc41)[C@@H](C2)C3=O	ZINC000587453446	EG	Annotated	Anodyne	
COc1ccc2c(c1)OC=C[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587453491	EG	Annotated	Anodyne	
COc1ccc2c(c1)OC=C[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587453500	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587453548	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O	ZINC000587453549	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc([C@H]4CCCO4)s1)[C@@H](C2)C3=O	ZINC000587453559	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O	ZINC000587453562	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc([C@@H]4CCCO4)s1)[C@@H](C2)C3=O	ZINC000587453565	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc([C@H]4CCCO4)s1)[C@@H](C2)C3=O	ZINC000587453568	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C(=O)O)cc1C)[C@@H](C2)C3=O	ZINC000587453605	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1c(C)nc4sccn14)[C@@H](C2)C3=O	ZINC000587453620	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)nc4sccn14)[C@@H](C2)C3=O	ZINC000587453626	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1c(C)cc(C(=O)O)cc1C)[C@@H](C2)C3=O	ZINC000587453711	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1sc(N)c(C#N)c1Cl)[C@@H](C2)C3=O	ZINC000587453805	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@H](c1sc(N)c(C#N)c1Cl)[C@@H](C2)C3=O	ZINC000587453806	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C)(c1cc(CC(=O)O)cs1)[C@@H](C2)C3=O	ZINC000587453819	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cc(CC(=O)O)cs1)[C@@H](C2)C3=O	ZINC000587453823	EG	Annotated	Anodyne	
CCSc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C	ZINC000587453846	EG	Annotated	Anodyne	
CCSc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C	ZINC000587453847	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O	ZINC000587453867	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@](C=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O	ZINC000587453869	EG	Annotated	Mild	
COc1cc2c3c(c1)O[C@@H](c1cc(CN(C)C)cs1)[C@@H](C2)C3=O	ZINC000587453895	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(CN(C)C)cs1)[C@@H](C2)C3=O	ZINC000587453897	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(S)c(OC)c1)[C@@H](C2)C3=O	ZINC000587453944	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(S)c(OC)c1)[C@@H](C2)C3=O	ZINC000587453947	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cnc(SC)nc1Cl)[C@@H](C2)C3=O	ZINC000587453948	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCc4cc5c(cc41)OCO5)[C@@H](C2)C3=O	ZINC000587453956	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cnc(SC)nc1Cl)[C@@H](C2)C3=O	ZINC000587453957	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCc4cc5c(cc41)OCO5)[C@@H](C2)C3=O	ZINC000587453962	EG	Annotated	Anodyne	
COC(=O)c1sccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587454014	EG	Annotated	Anodyne	
COC(=O)c1sccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	ZINC000587454015	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O	ZINC000587454043	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O	ZINC000587454045	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)(c1cnc(SC)nc1C)[C@@H](C2)C3=O	ZINC000587454121	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)(c1cnc(SC)nc1C)[C@@H](C2)C3=O	ZINC000587454122	EG	Annotated	Anodyne	
COC(=O)c1csc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587454166	EG	Annotated	Anodyne	
COC(=O)c1csc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1	ZINC000587454168	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@H]4SCCS[C@H]41)[C@@H](C2)C3=O	ZINC000587454208	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@@H]4SCCS[C@@H]41)[C@@H](C2)C3=O	ZINC000587454217	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@@H]4SCCS[C@H]41)[C@@H](C2)C3=O	ZINC000587454220	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CC[C@H]4SCCS[C@@H]41)[C@@H](C2)C3=O	ZINC000587454222	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C(=O)c1ccc(SC)cc1)[C@@H](C2)C3=O	ZINC000587454240	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C(=O)c1ccc(SC)cc1)[C@@H](C2)C3=O	ZINC000587454242	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587454291	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1cc(-n4ccnc4)cs1)[C@@H](C2)C3=O	ZINC000587454293	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1[C@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587454294	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1cc(-n4ccnc4)cs1)[C@@H](C2)C3=O	ZINC000587454295	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587454296	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1[C@H]1CCOC1)[C@@H](C2)C3=O	ZINC000587454299	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C[C@H]1CCCCC14OCCO4)[C@@H](C2)C3=O	ZINC000587454652	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C[C@H]1CCCCC14OCCO4)[C@@H](C2)C3=O	ZINC000587454653	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](C[C@@H]1CCCCC14OCCO4)[C@@H](C2)C3=O	ZINC000587454654	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](C[C@@H]1CCCCC14OCCO4)[C@@H](C2)C3=O	ZINC000587454655	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@]1(CCCc4nc(C)sc41)[C@@H](C2)C3=O	ZINC000587454713	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@]1(CCCc4nc(C)sc41)[C@@H](C2)C3=O	ZINC000587454714	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)o1	ZINC000587455038	EG	Annotated	Anodyne	
COC(=O)c1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)o1	ZINC000587455039	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O	ZINC000587455261	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O	ZINC000587455262	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@](C)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O	ZINC000587455263	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@](C)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O	ZINC000587455264	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H]([C@@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O	ZINC000587455479	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O	ZINC000587455482	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H]([C@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O	ZINC000587455484	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H]([C@]1(c4ccccc4)CCOC1)[C@@H](C2)C3=O	ZINC000587455485	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@@H](c1ccc(C4(C)COC4)cc1)[C@@H](C2)C3=O	ZINC000587455500	EG	Annotated	Anodyne	
COc1cc2c3c(c1)O[C@H](c1ccc(C4(C)COC4)cc1)[C@@H](C2)C3=O	ZINC000587455501	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C(=O)CBr)CC2=O	ZINC000587456092	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)(C(=O)CBr)CC2=O	ZINC000587456093	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)=O)CC2=O	ZINC000587456096	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CBr)(C(C)=O)CC2=O	ZINC000587456097	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(CCC(=O)OC)CC2=O	ZINC000587457699	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(CCC(=O)OC)CC2=O	ZINC000587457700	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)OCC)CC2=O	ZINC000587458015	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)OCC)CC2=O	ZINC000587458020	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)OCC)CC2=O	ZINC000587458021	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)OCC)CC2=O	ZINC000587458023	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1nc(Cl)cnc1N)CC2=O	ZINC000587458701	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1nc(Cl)cnc1N)CC2=O	ZINC000587458702	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](Cl)C(=O)OC)CC2=O	ZINC000587458826	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CC)([C@H](Cl)C(=O)OC)CC2=O	ZINC000587458828	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CC)([C@@H](Cl)C(=O)OC)CC2=O	ZINC000587458830	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CC)([C@H](Cl)C(=O)OC)CC2=O	ZINC000587458832	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C\N(C)C)CC2=O	ZINC000587459098	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C/N(C)C)CC2=O	ZINC000587459105	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C/N(C)C)CC2=O	ZINC000587459106	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C\N(C)C)CC2=O	ZINC000587459107	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(CC(=O)OCC)CC2=O	ZINC000587459956	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCl)(CC(=O)OCC)CC2=O	ZINC000587459958	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1cnn(CCCl)c1)CC2=O	ZINC000587460016	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCCl)c1)CC2=O	ZINC000587460017	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCCCl)(C(=O)OC)CC2=O	ZINC000587460390	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@](CCCCl)(C(=O)OC)CC2=O	ZINC000587460391	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)cnc1N)CC2=O	ZINC000587460843	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)cnc1N)CC2=O	ZINC000587460848	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnn(C)c1)CC2=O	ZINC000587462346	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CCl)(c1cnn(C)c1)CC2=O	ZINC000587462347	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](CC)(C(F)(F)C(=O)OC)CC2=O	ZINC000587462742	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC)(C(F)(F)C(=O)OC)CC2=O	ZINC000587462743	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)C(=O)OCC)CC2=O	ZINC000587462766	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)C(=O)OCC)CC2=O	ZINC000587462767	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C1CC1)(C(F)(F)C(=O)O)CC2=O	ZINC000587463388	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C1CC1)(C(F)(F)C(=O)O)CC2=O	ZINC000587463389	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C(F)F)CC2=O	ZINC000587463457	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C(F)F)CC2=O	ZINC000587463459	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC)([C@H](F)C(=O)OCC)CC2=O	ZINC000587464527	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](F)C(=O)OCC)CC2=O	ZINC000587464528	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC)([C@H](F)C(=O)OCC)CC2=O	ZINC000587464529	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC)([C@@H](F)C(=O)OCC)CC2=O	ZINC000587464530	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc(F)cc1)CC2=O	ZINC000587465185	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(F)cc1)CC2=O	ZINC000587465187	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(F)cc1)CC2=O	ZINC000587465208	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(F)cc1)CC2=O	ZINC000587465211	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCN(CC(F)F)CC1)CC2=O	ZINC000587466023	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1F)CC2=O	ZINC000587466374	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1F)CC2=O	ZINC000587466376	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(F)cc1F)CC2=O	ZINC000587467094	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(F)cc1F)CC2=O	ZINC000587467103	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cnn(C)c1)(C(F)F)CC2=O	ZINC000587467361	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cnn(C)c1)(C(F)F)CC2=O	ZINC000587467362	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC(NC(C)=O)CC1)CC2=O	ZINC000587467640	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc(F)cc1)CC2=O	ZINC000587467767	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc(F)cc1)CC2=O	ZINC000587467768	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc(C)nc1N(C)C)CC2=O	ZINC000587468156	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc(C)nc1N(C)C)CC2=O	ZINC000587468158	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CO)(Cc1ccc(F)cc1)CC2=O	ZINC000587468455	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CO)(Cc1ccc(F)cc1)CC2=O	ZINC000587468457	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1[C@@H](C)C(=O)O)CC2=O	ZINC000587468736	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1[C@@H](C)C(=O)O)CC2=O	ZINC000587468747	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ncccc1[N+](=O)[O-])CC2=O	ZINC000587468870	EG	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ncccc1[N+](=O)[O-])CC2=O	ZINC000587468874	EG	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](CC)(c1c[nH]ccc1=N)CC2=O	ZINC000587468935	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC)(c1c[nH]ccc1=N)CC2=O	ZINC000587468944	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](CNC(=O)OC(C)(C)C)CC2=O	ZINC000587469032	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](CNC(=O)OC(C)(C)C)CC2=O	ZINC000587469033	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1C(N)=O)CC2=O	ZINC000587469052	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C(N)=O)CC2=O	ZINC000587469053	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(CC(C)(C)NC(C)=O)CC2=O	ZINC000587469100	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CC(C)(C)NC(C)=O)CC2=O	ZINC000587469101	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cn1)CC2=O	ZINC000587469481	EG	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cn1)CC2=O	ZINC000587469482	EG	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(C=O)n(C)c1)CC2=O	ZINC000587469855	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C=O)n(C)c1)CC2=O	ZINC000587469856	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC#N)(C1CCOCC1)CC2=O	ZINC000587469954	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(C1CCOCC1)CC2=O	ZINC000587469955	EG	Annotated	Mild	
CCCc1c(O)ccc2c1OC1(CCC(n3cnnc3)CC1)CC2=O	ZINC000587470281	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C)nc(N(C)C)n1)CC2=O	ZINC000587470291	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C)nc(N(C)C)n1)CC2=O	ZINC000587470292	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC(=O)/C1=C\N(C)C)CC2=O	ZINC000587470293	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CCCC(=O)/C1=C\N(C)C)CC2=O	ZINC000587470294	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CCCC(=O)/C1=C/N(C)C)CC2=O	ZINC000587470295	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CCCC(=O)/C1=C/N(C)C)CC2=O	ZINC000587470296	EG	Annotated	Mild	
C=CC[C@@]1(CNC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587470380	EG	Annotated	Mild	
C=CC[C@]1(CNC(=O)OCC)CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587470382	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1ccncc1NC(C)=O)CC2=O	ZINC000587470428	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccncc1NC(C)=O)CC2=O	ZINC000587470429	EG	Annotated	Anodyne	
C=CCN(C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC	ZINC000587470640	EG	Annotated	Mild	
C=CCN(C[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC	ZINC000587470641	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCOC)CC2=O	ZINC000587470812	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1CCOC)CC2=O	ZINC000587470814	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CC(=O)N(C)C)CC2=O	ZINC000587470888	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CC(=O)N(C)C)CC2=O	ZINC000587470891	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)O)n(C)c1)CC2=O	ZINC000587470892	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CC(=O)N(C)C)CC2=O	ZINC000587470893	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)O)n(C)c1)CC2=O	ZINC000587470894	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CC(=O)N(C)C)CC2=O	ZINC000587470896	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC)([C@H](C#N)C(=O)OCC)CC2=O	ZINC000587470903	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](C#N)C(=O)OCC)CC2=O	ZINC000587470909	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC)([C@H](C#N)C(=O)OCC)CC2=O	ZINC000587470910	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC)([C@@H](C#N)C(=O)OCC)CC2=O	ZINC000587470912	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)([C@@H]1CCCOC1)CC2=O	ZINC000587471012	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC#N)([C@H]1CCCOC1)CC2=O	ZINC000587471014	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)([C@H]1CCCOC1)CC2=O	ZINC000587471016	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC#N)([C@@H]1CCCOC1)CC2=O	ZINC000587471017	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N(CC)CC)CC2=O	ZINC000587471067	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N(CC)CC)CC2=O	ZINC000587471068	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)NC(C)C)(C(C)C)CC2=O	ZINC000587471080	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)NC(C)C)(C(C)C)CC2=O	ZINC000587471082	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccncc1[N+](=O)[O-])CC2=O	ZINC000587471266	EG	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@@H](c1ccncc1[N+](=O)[O-])CC2=O	ZINC000587471268	EG	Annotated	Bother	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(F)ccc21	ZINC000587471302	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(F)ccc21	ZINC000587471317	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccnc1NC(C)=O)CC2=O	ZINC000587471390	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccnc1NC(C)=O)CC2=O	ZINC000587471391	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1nccn1C)(C1CC1)CC2=O	ZINC000587471470	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1nccn1C)(C1CC1)CC2=O	ZINC000587471471	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccn1CC(=O)OC)CC2=O	ZINC000587471757	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccn1CC(=O)OC)CC2=O	ZINC000587471758	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CNC)(c1ccc(O)cc1)CC2=O	ZINC000587471839	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CNC)(c1ccc(O)cc1)CC2=O	ZINC000587471840	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(F)c21	ZINC000587471971	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(F)c21	ZINC000587471972	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c(N)c1)CC2=O	ZINC000587472344	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c(N)c1)CC2=O	ZINC000587472345	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(N)=COc2ccccc21	ZINC000587472389	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(N)=COc2ccccc21	ZINC000587472390	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1[nH]nc3ncc(F)cc13)CC2=O	ZINC000587472628	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1[nH]nc3ncc(F)cc13)CC2=O	ZINC000587472629	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(F)cccc21	ZINC000587473099	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(F)cccc21	ZINC000587473101	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(F)cc21	ZINC000587473311	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(F)cc21	ZINC000587473312	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1c[nH]ccc1=N)(C1CC1)CC2=O	ZINC000587473347	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1c[nH]ccc1=N)(C1CC1)CC2=O	ZINC000587473348	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc(C)cc1)CC2=O	ZINC000587473407	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CN)(c1ccc(C)cc1)CC2=O	ZINC000587473408	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCN(C(=O)C3CC3)CC1)CC2=O	ZINC000587474012	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)n1cncn1)CC2=O	ZINC000587474031	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C(C)(C)n1cncn1)CC2=O	ZINC000587474032	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1cn(C)nc1C)CC2=O	ZINC000587474126	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cn(C)nc1C)CC2=O	ZINC000587474127	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1cnn(CC)c1)CC2=O	ZINC000587474426	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cnn(CC)c1)CC2=O	ZINC000587474427	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CCCN(C(C)=O)CC1)CC2=O	ZINC000587474640	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(C)=O)CC1)CC2=O	ZINC000587474726	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)(C)C)nn1)CC2=O	ZINC000587474866	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)(C)C)nn1)CC2=O	ZINC000587474870	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(CC)C(=O)C1)CC2=O	ZINC000587475062	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(CC)C(=O)C1)CC2=O	ZINC000587475065	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCOCC1)CC2=O	ZINC000587475084	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCOCC1)CC2=O	ZINC000587475086	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(C3CC3)C(=O)C1)CC2=O	ZINC000587475177	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(C3CC3)C(=O)C1)CC2=O	ZINC000587475180	EG	Annotated	Anodyne	
C=CN1CC[C@@H]([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587475245	EG	Annotated	Anodyne	
C=CN1CC[C@H]([C@@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587475246	EG	Annotated	Anodyne	
C=CN1CC[C@@H]([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587475248	EG	Annotated	Anodyne	
C=CN1CC[C@H]([C@]2(C)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O	ZINC000587475249	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccnn1CCCOC)CC2=O	ZINC000587475372	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccnn1CCCOC)CC2=O	ZINC000587475373	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(C)C)(c1ncnn1C)CC2=O	ZINC000587475397	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(C)C)(c1ncnn1C)CC2=O	ZINC000587475398	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C[C@H](C(=O)O)C1)CC2=O	ZINC000587475564	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C[C@@H](C(=O)O)C1)CC2=O	ZINC000587475569	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C[C@H](C(=O)O)C1)CC2=O	ZINC000587475571	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C[C@@H](C(=O)O)C1)CC2=O	ZINC000587475573	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc3c(c1)ncn3C)CC2=O	ZINC000587475712	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc3c(c1)ncn3C)CC2=O	ZINC000587475715	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1cnn(C)c1C)CC2=O	ZINC000587475758	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cnn(C)c1C)CC2=O	ZINC000587475759	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)OC(C)(C)C1)CC2=O	ZINC000587475795	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)OC(C)(C)C1)CC2=O	ZINC000587475796	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CN(C(=O)OC(C)(C)C)C1	ZINC000587475952	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)nnn3C)CC2=O	ZINC000587476025	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)nnn3C)CC2=O	ZINC000587476027	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1N(C)C)CC2=O	ZINC000587476129	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1N(C)C)CC2=O	ZINC000587476130	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(CC)nn(C)c1OC)CC2=O	ZINC000587476158	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(CC)nn(C)c1OC)CC2=O	ZINC000587476164	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c(C(C)=O)cnn1C)CC2=O	ZINC000587476230	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c(C(C)=O)cnn1C)CC2=O	ZINC000587476231	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3nn(C)cc31)CC2=O	ZINC000587476484	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3nn(C)cc31)CC2=O	ZINC000587476487	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1OC)CC2=O	ZINC000587476863	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1OC)CC2=O	ZINC000587476869	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1CC(=O)OC)CC2=O	ZINC000587477136	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CC(=O)OC)CC2=O	ZINC000587477137	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CC(=O)OC)CC2=O	ZINC000587477138	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CC(=O)OC)CC2=O	ZINC000587477139	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3C)CC2=O	ZINC000587477457	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3C)CC2=O	ZINC000587477461	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCN(C(=O)C(C)C)CC1)CC2=O	ZINC000587477514	EG	Annotated	Anodyne	
C#C[C@@]1(C(OCC)OCC)CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587477646	EG	Annotated	Mild	
C#C[C@]1(C(OCC)OCC)CC(=O)c2ccc(O)c(CCC)c2O1	ZINC000587477647	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@](C)(C1(C(=O)OCC)CC1)CC2=O	ZINC000587477657	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(C1(C(=O)OCC)CC1)CC2=O	ZINC000587477659	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(OC)cc1)CC2=O	ZINC000587477886	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@@H]1C(=O)OC)CC2=O	ZINC000587477887	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C)[C@H]1C(=O)OC)CC2=O	ZINC000587477888	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C)[C@@H]1C(=O)OC)CC2=O	ZINC000587477889	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(OC)cc1)CC2=O	ZINC000587477891	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C)[C@H]1C(=O)OC)CC2=O	ZINC000587477892	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CC1)CC2=O	ZINC000587478222	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CC1)CC2=O	ZINC000587478228	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(C1CCC1)CC2=O	ZINC000587478303	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(C1CCC1)CC2=O	ZINC000587478306	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(O)cc1)CC2=O	ZINC000587478497	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(O)cc1)CC2=O	ZINC000587478499	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1ccccc1)CC2=O	ZINC000587478548	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1ccccc1)CC2=O	ZINC000587478555	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C13CC(C(=O)OC)(C1)C3)CC2=O	ZINC000587478604	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C13CC(C(=O)OC)(C1)C3)CC2=O	ZINC000587478608	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C)c1C(C)=O)CC2=O	ZINC000587478968	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C)c1C(C)=O)CC2=O	ZINC000587478971	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(C)cnn1COC)CC2=O	ZINC000587479120	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(C)cnn1COC)CC2=O	ZINC000587479121	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(=O)OC)C1)CC2=O	ZINC000587479261	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(=O)OC)C1)CC2=O	ZINC000587479262	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(=O)OC)C1)CC2=O	ZINC000587479263	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(=O)OC)C1)CC2=O	ZINC000587479264	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCO)CC2=O	ZINC000587479625	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCO)CC2=O	ZINC000587479631	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccnn1C)CC2=O	ZINC000587479761	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccnn1C)CC2=O	ZINC000587479768	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccnn1C)CC2=O	ZINC000587479773	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccnn1C)CC2=O	ZINC000587479778	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC)CC1)CC2=O	ZINC000587479960	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](C(=O)OCC)[C@@H]31)CC2=O	ZINC000587480072	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](C(=O)OCC)[C@@H]31)CC2=O	ZINC000587480076	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](C(=O)OCC)[C@H]31)CC2=O	ZINC000587480081	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@H]1[C@@H]3C(=O)OCC)CC2=O	ZINC000587480083	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1C(=O)OC)CC2=O	ZINC000587480180	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1C(=O)OC)CC2=O	ZINC000587480182	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1C(=O)OC)CC2=O	ZINC000587480185	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1C(=O)OC)CC2=O	ZINC000587480187	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2C(C(=O)OCC)[C@@H]2C1	ZINC000587480217	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2C(C(=O)OCC)[C@H]2C1	ZINC000587480221	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2[C@@H](C1)[C@@H]2C(=O)OCC	ZINC000587480223	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCO)cc1)CC2=O	ZINC000587480503	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCO)cc1)CC2=O	ZINC000587480505	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1[nH]nc3ncccc13)CC2=O	ZINC000587480595	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]nc3ncccc13)CC2=O	ZINC000587480604	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1ncc[nH]1)CC2=O	ZINC000587480605	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1ncc[nH]1)CC2=O	ZINC000587480607	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CN(C3)C2	ZINC000587480726	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)o1)CC2=O	ZINC000587480821	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)o1)CC2=O	ZINC000587480825	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CC(C(=O)OC)C2)C1	ZINC000587480871	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1C(=O)OCC)CC2=O	ZINC000587480883	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1C(=O)OCC)CC2=O	ZINC000587480884	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1C(=O)OCC)CC2=O	ZINC000587480886	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1C(=O)OCC)CC2=O	ZINC000587480888	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc[nH]1)CC2=O	ZINC000587480909	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc[nH]1)CC2=O	ZINC000587480919	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)O)c1)CC2=O	ZINC000587481518	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)O)c1)CC2=O	ZINC000587481520	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc[nH]1)CC2=O	ZINC000587481755	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc[nH]1)CC2=O	ZINC000587481757	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(C)c21	ZINC000587481813	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(C)c21	ZINC000587481815	EG	Annotated	Anodyne	
CCCC(=O)N1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2	ZINC000587481949	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)OC)co1)CC2=O	ZINC000587481990	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)OC)co1)CC2=O	ZINC000587481992	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3OC(C)(C)O[C@H]31)CC2=O	ZINC000587482211	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3OC(C)(C)O[C@H]31)CC2=O	ZINC000587482212	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)N(C)C)[nH]1)CC2=O	ZINC000587482872	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)N(C)C)[nH]1)CC2=O	ZINC000587482874	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C)cc21	ZINC000587482913	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C)cc21	ZINC000587482914	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H](CC(=O)OC)C1)CC2=O	ZINC000587483144	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](CC(=O)OC)C1)CC2=O	ZINC000587483146	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](CC(=O)OC)C1)CC2=O	ZINC000587483147	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](CC(=O)OC)C1)CC2=O	ZINC000587483148	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c[nH]c(C(=O)OC)c1C)CC2=O	ZINC000587483537	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C)ccc21	ZINC000587483544	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C)ccc21	ZINC000587483552	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c(C(=O)OC)c1C)CC2=O	ZINC000587483553	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccnc3nccnc13)CC2=O	ZINC000587483565	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccnc3nccnc13)CC2=O	ZINC000587483569	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)C1(C)C	ZINC000587484023	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)C1(C)C	ZINC000587484025	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC)C1(C)C	ZINC000587484027	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)C1(C)C	ZINC000587484030	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C=O)(c1ccc(O)cc1)CC2=O	ZINC000587484082	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C=O)(c1ccc(O)cc1)CC2=O	ZINC000587484106	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OCC)C1)CC2=O	ZINC000587484223	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(=O)OCC)C1)CC2=O	ZINC000587484225	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OCC)C1)CC2=O	ZINC000587484227	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)OCC)C1)CC2=O	ZINC000587484228	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccco1)CC2=O	ZINC000587484333	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccco1)CC2=O	ZINC000587484336	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)on1)CC2=O	ZINC000587484391	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)on1)CC2=O	ZINC000587484393	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1C(=O)O)CC2=O	ZINC000587484746	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1C(=O)O)CC2=O	ZINC000587484750	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1O)CC2=O	ZINC000587485141	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)cc1O)CC2=O	ZINC000587485142	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(C(=O)OC)[nH]1)CC2=O	ZINC000587485210	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(C(=O)OC)[nH]1)CC2=O	ZINC000587485211	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)[nH]1)CC2=O	ZINC000587485251	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)[nH]1)CC2=O	ZINC000587485253	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1occc1C(=O)OC)CC2=O	ZINC000587485517	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(C(=O)OCC)C1	ZINC000587485530	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)cn1)CC2=O	ZINC000587485714	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)cn1)CC2=O	ZINC000587485716	EG	Annotated	Anodyne	
C#Cc1cccc2c1[C@@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2	ZINC000587485736	EG	Annotated	Mild	
C#Cc1cccc2c1[C@]1(CC(=O)c3ccc(O)c(CCC)c3O1)C(=O)N2	ZINC000587485738	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1ccnc(C(=O)OC)c1)CC2=O	ZINC000587485752	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccnc(C(=O)OC)c1)CC2=O	ZINC000587485754	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc3nc(C)nn13)CC2=O	ZINC000587485909	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccc3nc(C)nn13)CC2=O	ZINC000587485911	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1occc1C(=O)OC)CC2=O	ZINC000587485987	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1c(OC)cncc1OC)CC2=O	ZINC000587486224	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1c(OC)cncc1OC)CC2=O	ZINC000587486228	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCOC3(CCOCC3)C1)CC2=O	ZINC000587486589	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCOC3(CCOCC3)C1)CC2=O	ZINC000587486599	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C)cccc21	ZINC000587486675	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C)cccc21	ZINC000587486677	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC3(CCC(=O)N3)CC1)CC2=O	ZINC000587486716	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(C)c2ccccc21	ZINC000587486874	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(C)c2ccccc21	ZINC000587486878	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)O)nc1)CC2=O	ZINC000587486889	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)O)nc1)CC2=O	ZINC000587486892	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1cccnc1)(c1ncc[nH]1)CC2=O	ZINC000587486901	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1cccnc1)(c1ncc[nH]1)CC2=O	ZINC000587486903	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1ncc[nH]1)CC2=O	ZINC000587487078	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1ncc[nH]1)CC2=O	ZINC000587487079	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nc[nH]n1)CC2=O	ZINC000587487111	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nc[nH]n1)CC2=O	ZINC000587487115	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(=O)O)c(C)[nH]1)CC2=O	ZINC000587487164	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(=O)O)c(C)[nH]1)CC2=O	ZINC000587487173	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)OC)c1)CC2=O	ZINC000587487229	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)OC)c1)CC2=O	ZINC000587487232	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccoc1C(=O)OC)CC2=O	ZINC000587487242	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccoc1C(=O)OC)CC2=O	ZINC000587487246	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cncc3c1NCCO3)CC2=O	ZINC000587487384	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cncc3c1NCCO3)CC2=O	ZINC000587487386	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C#N)ccc21	ZINC000587487579	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C#N)ccc21	ZINC000587487584	EG	Annotated	Mild	
CCCc1c(O)ccc2c1OC1(CCC3(CC1)CNC(=O)C3)CC2=O	ZINC000587487966	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccccc2OC1=O	ZINC000587488271	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccccc2OC1=O	ZINC000587488278	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](C(=O)c1cccc(O)c1)CC2=O	ZINC000587488470	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cccc(O)c1)CC2=O	ZINC000587488471	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CC(C(=O)O)C2)C1	ZINC000587488495	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccnc1C(=O)OC)CC2=O	ZINC000587488532	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccnc1C(=O)OC)CC2=O	ZINC000587488534	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)nc1OC)CC2=O	ZINC000587488628	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)nc1OC)CC2=O	ZINC000587488632	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cccc(C(=O)O)n1)CC2=O	ZINC000587488646	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(C(=O)O)n1)CC2=O	ZINC000587488647	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc(CCOC)nc1)CC2=O	ZINC000587488751	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc(CCOC)nc1)CC2=O	ZINC000587488757	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccccc1)CC2=O	ZINC000587488979	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccccc1)CC2=O	ZINC000587488982	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)OC)nc1)CC2=O	ZINC000587489752	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)OC)nc1)CC2=O	ZINC000587489757	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](COC)(c1ccccn1)CC2=O	ZINC000587489918	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](COC)(c1ccccn1)CC2=O	ZINC000587489922	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cn(C)c(=S)n1C)CC2=O	ZINC000587490255	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1cn3cccnc3n1)CC2=O	ZINC000587490263	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1cn3cccnc3n1)CC2=O	ZINC000587490266	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c(=S)n1C)CC2=O	ZINC000587490267	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc3n1C=CCC3=O)CC2=O	ZINC000587490269	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc3n1C=CCC3=O)CC2=O	ZINC000587490291	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C#CCO)cc1)CC2=O	ZINC000587490322	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#CCO)cc1)CC2=O	ZINC000587490324	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC)n1)CC2=O	ZINC000587490528	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC)n1)CC2=O	ZINC000587490529	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)c(OC)c1)CC2=O	ZINC000587490603	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)c(OC)c1)CC2=O	ZINC000587490604	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(C(=O)O)CC2=O	ZINC000587490824	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(C(=O)O)CC2=O	ZINC000587490828	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)OC)n1)CC2=O	ZINC000587490859	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)OC)n1)CC2=O	ZINC000587490863	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCC3(C1)OCCO3)CC2=O	ZINC000587490991	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCC3(C1)OCCO3)CC2=O	ZINC000587490995	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC=Cn3c(C=O)cnc31)CC2=O	ZINC000587491011	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC=Cn3c(C=O)cnc31)CC2=O	ZINC000587491018	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCOc3cccnc31)CC2=O	ZINC000587491081	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCOc3cccnc31)CC2=O	ZINC000587491084	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C=O)(c1cccc(O)c1)CC2=O	ZINC000587491396	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@](C=O)(c1cccc(O)c1)CC2=O	ZINC000587491397	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@H](c1cc(C(N)=O)cs1)CC2=O	ZINC000587492089	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C(N)=O)cs1)CC2=O	ZINC000587492091	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)[C@@]12CCCO2	ZINC000587492441	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@@]12CCCO2	ZINC000587492443	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C(N)=S)(c1ccccc1)CC2=O	ZINC000587492452	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(N)=S)(c1ccccc1)CC2=O	ZINC000587492454	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](COC)(C1CCOCC1)CC2=O	ZINC000587492479	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](COC)(C1CCOCC1)CC2=O	ZINC000587492480	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc(C(=O)OCC)co1)CC2=O	ZINC000587492774	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc(C(=O)OCC)co1)CC2=O	ZINC000587492780	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(OC)ncn1)CC2=O	ZINC000587492914	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(OC)ncn1)CC2=O	ZINC000587492915	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(=N)sc31)CC2=O	ZINC000587493295	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(=N)sc31)CC2=O	ZINC000587493296	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCCc3sc(=N)[nH]c31)CC2=O	ZINC000587493359	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCCc3sc(=N)[nH]c31)CC2=O	ZINC000587493362	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1ncc(C(=O)O)s1)CC2=O	ZINC000587493364	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(C(=O)O)s1)CC2=O	ZINC000587493368	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ncc(C(=O)OC)s1)CC2=O	ZINC000587493369	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ncc(C(=O)OC)s1)CC2=O	ZINC000587493370	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@]1(CCc3[nH]c(=N)sc3C1)CC2=O	ZINC000587493387	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@]1(CCc3[nH]c(=N)sc3C1)CC2=O	ZINC000587493390	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(=N)sc1C)CC2=O	ZINC000587493420	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(=N)sc1C)CC2=O	ZINC000587493421	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1OC1(CCC3(CC1)OCCO3)CC2=O	ZINC000587493767	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1csc(NC(C)=O)n1)CC2=O	ZINC000587494056	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1csc(NC(C)=O)n1)CC2=O	ZINC000587494066	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(N)=O)s1)CC2=O	ZINC000587494587	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C(N)=O)s1)CC2=O	ZINC000587494590	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1cc(C#CCO)cs1)CC2=O	ZINC000587494633	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1cc(C#CCO)cs1)CC2=O	ZINC000587494635	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1ncsc1C(=O)OC)CC2=O	ZINC000587494645	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ncsc1C(=O)OC)CC2=O	ZINC000587494646	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](CC1OCCO1)(C1CC1)CC2=O	ZINC000587494698	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](CC1OCCO1)(C1CC1)CC2=O	ZINC000587494700	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1ccc(C#CCO)s1)CC2=O	ZINC000587495052	EG	Annotated	Mild	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(C#CCO)s1)CC2=O	ZINC000587495054	EG	Annotated	Mild	
CCOC(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587495680	EG	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587495689	EG	Annotated	Reactive	
CCOC(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587495691	EG	Annotated	Reactive	
CCOC(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587495694	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cccs1)CC2=O	ZINC000587495738	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cccs1)CC2=O	ZINC000587495739	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](C)(c1sc(=N)[nH]c1C)CC2=O	ZINC000587496291	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1sc(=N)[nH]c1C)CC2=O	ZINC000587496293	EG	Annotated	Anodyne	
C[C@]1(c2nc(Cl)cnc2N)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496421	EG	Annotated	Anodyne	
C[C@@]1(c2nc(Cl)cnc2N)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587496423	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@H](c1nc(C(=O)OC)cs1)CC2=O	ZINC000587496655	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1nc(C(=O)OC)cs1)CC2=O	ZINC000587496657	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](Cc1cccs1)(C(=O)O)CC2=O	ZINC000587496690	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@](Cc1cccs1)(C(=O)O)CC2=O	ZINC000587496691	EG	Annotated	Anodyne	
Cn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587497140	EG	Annotated	Reactive	
Cn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587497142	EG	Annotated	Reactive	
CN(C)/C=C(\C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497264	EG	Annotated	Reactive	
CN(C)/C=C(/C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497265	EG	Annotated	Reactive	
CN(C)/C=C(/C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497266	EG	Annotated	Reactive	
CN(C)/C=C(\C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497267	EG	Annotated	Reactive	
COC(=O)CC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497655	EG	Annotated	Reactive	
COC(=O)CC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497656	EG	Annotated	Reactive	
CCOC(=O)C[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497834	EG	Annotated	Reactive	
CCOC(=O)C[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587497836	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@](C)(c1scnc1C(=O)O)CC2=O	ZINC000587498061	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@](C)(c1scnc1C(=O)O)CC2=O	ZINC000587498062	EG	Annotated	Anodyne	
O=C1C[C@](CCl)(c2cnc(O)[nH]2)Oc2c1ccc1c2CCCC1	ZINC000587498197	EG	Annotated	Reactive	
O=C1C[C@@](CCl)(c2cnc(O)[nH]2)Oc2c1ccc1c2CCCC1	ZINC000587498199	EG	Annotated	Reactive	
CCCc1c(O)ccc2c1O[C@H](c1cn3c(n1)SCC3)CC2=O	ZINC000587498393	EG	Annotated	Anodyne	
CCCc1c(O)ccc2c1O[C@@H](c1cn3c(n1)SCC3)CC2=O	ZINC000587498394	EG	Annotated	Anodyne	
CC[C@]1(CNC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498397	EG	Annotated	Reactive	
CC[C@@]1(CNC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498400	EG	Annotated	Reactive	
C[C@@H](Cl)C(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498492	EG	Annotated	Reactive	
C[C@H](Cl)C(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498495	EG	Annotated	Reactive	
C[C@H](Cl)C(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498499	EG	Annotated	Reactive	
C[C@@H](Cl)C(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498502	EG	Annotated	Reactive	
O=C1C[C@H](c2c(Cl)n[nH]c2C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587498529	EG	Annotated	Anodyne	
O=C1C[C@@H](c2c(Cl)n[nH]c2C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587498530	EG	Annotated	Anodyne	
CC[C@@]1(C(F)(F)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498544	EG	Annotated	Anodyne	
CC[C@]1(C(F)(F)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498545	EG	Annotated	Anodyne	
CC[C@@]1([C@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498583	EG	Annotated	Reactive	
CC[C@]1([C@@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498585	EG	Annotated	Reactive	
CC[C@]1([C@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498587	EG	Annotated	Reactive	
CC[C@@]1([C@@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587498590	EG	Annotated	Reactive	
C[C@@]1(C(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499255	EG	Annotated	Reactive	
C[C@]1(C(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499278	EG	Annotated	Reactive	
C[C@]1([C@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499283	EG	Annotated	Anodyne	
C[C@]1([C@@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499298	EG	Annotated	Anodyne	
C[C@@]1([C@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499301	EG	Annotated	Anodyne	
C[C@@]1([C@@]2(Cl)CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499303	EG	Annotated	Anodyne	
CC(=O)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499331	EG	Annotated	Reactive	
CC(=O)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499334	EG	Annotated	Reactive	
N=c1[nH]cnc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499731	EG	Annotated	Anodyne	
N=c1[nH]cnc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587499739	EG	Annotated	Anodyne	
COC(=O)[C@@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500291	EG	Annotated	Reactive	
COC(=O)[C@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587500293	EG	Annotated	Reactive	
Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]c1=N	ZINC000587500545	EG	Annotated	Anodyne	
Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]c1=N	ZINC000587500546	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587501331	EG	Annotated	Anodyne	
Nc1ncc(Cl)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587501335	EG	Annotated	Anodyne	
Cn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587501519	EG	Annotated	Anodyne	
Cn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587501522	EG	Annotated	Anodyne	
CN=c1[nH]c(Cl)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587502405	EG	Annotated	Anodyne	
CN=c1[nH]c(Cl)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587502416	EG	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587503755	EG	Annotated	Anodyne	
CCOC(=O)C(F)(F)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587503756	EG	Annotated	Anodyne	
O=C1C[C@](C2CC2)(C(F)(F)C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587503898	EG	Annotated	Anodyne	
O=C1C[C@@](C2CC2)(C(F)(F)C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587503909	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504649	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587504651	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C#N)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506949	EG	Annotated	Mild	
CCOC(=O)[C@H](C#N)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506950	EG	Annotated	Mild	
CCOC(=O)[C@@H](C#N)[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506952	EG	Annotated	Mild	
CCOC(=O)[C@@H](C#N)[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587506953	EG	Annotated	Mild	
NC(=O)C1C[C@@H]2CC[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587507225	EG	Annotated	Anodyne	
Cc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1	ZINC000587508762	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(N(C)C)n1	ZINC000587508770	EG	Annotated	Anodyne	
Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(N(C)C)n1	ZINC000587509716	EG	Annotated	Anodyne	
Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(N(C)C)n1	ZINC000587509719	EG	Annotated	Anodyne	
O=C1C[C@@H](CNC(=O)C2CCCC2)Oc2c1ccc1c2CCCC1	ZINC000587510114	EG	Annotated	Anodyne	
O=C1C[C@H](CNC(=O)C2CCCC2)Oc2c1ccc1c2CCCC1	ZINC000587510116	EG	Annotated	Anodyne	
Cn1ncc([N+](=O)[O-])c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510344	EG	Annotated	Bother	
Cn1ncc([N+](=O)[O-])c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510348	EG	Annotated	Bother	
O=C1C[C@H](CCCNC(=O)C2CC2)Oc2c1ccc1c2CCCC1	ZINC000587510494	EG	Annotated	Anodyne	
O=C1C[C@@H](CCCNC(=O)C2CC2)Oc2c1ccc1c2CCCC1	ZINC000587510497	EG	Annotated	Anodyne	
COCCn1ccnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510966	EG	Annotated	Anodyne	
COCCn1ccnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587510967	EG	Annotated	Anodyne	
C[C@]1(Cn2cc([N+](=O)[O-])cn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511259	EG	Annotated	Bother	
C[C@@]1(Cn2cc([N+](=O)[O-])cn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511260	EG	Annotated	Bother	
O=CNC[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511540	EG	Annotated	Anodyne	
O=CNC[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511541	EG	Annotated	Anodyne	
O=CNC[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511542	EG	Annotated	Anodyne	
O=CNC[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511543	EG	Annotated	Anodyne	
CN(C)/C=C1\C(=O)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511602	EG	Annotated	Mild	
CN(C)/C=C1/C(=O)CCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511603	EG	Annotated	Mild	
CN(C)/C=C1/C(=O)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511604	EG	Annotated	Mild	
CN(C)/C=C1\C(=O)CCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587511605	EG	Annotated	Mild	
Cn1nc([N+](=O)[O-])cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511731	EG	Annotated	Bother	
Cn1nc([N+](=O)[O-])cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511733	EG	Annotated	Bother	
Cn1cc([N+](=O)[O-])c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587511735	EG	Annotated	Bother	
Cn1cc([N+](=O)[O-])c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587511737	EG	Annotated	Bother	
COC(=O)Cn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511822	EG	Annotated	Anodyne	
COC(=O)Cn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587511823	EG	Annotated	Anodyne	
O=C(O)Cn1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512179	EG	Annotated	Anodyne	
O=C(O)Cn1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512180	EG	Annotated	Anodyne	
O=C1C[C@]2(CCN(C3CC3)C(=O)C2)Oc2c1ccc1c2CCCC1	ZINC000587512264	EG	Annotated	Anodyne	
O=C1C[C@@]2(CCN(C3CC3)C(=O)C2)Oc2c1ccc1c2CCCC1	ZINC000587512265	EG	Annotated	Anodyne	
O=C1CC2(CCN(c3ncccn3)CC2)Oc2c1ccc1c2CCCC1	ZINC000587512329	EG	Annotated	Anodyne	
CC(=O)NC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587512742	EG	Annotated	Anodyne	
CC(C)NC(=O)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512744	EG	Annotated	Anodyne	
CC(C)NC(=O)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512745	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512750	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587512751	EG	Annotated	Anodyne	
CNC[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513178	EG	Annotated	Anodyne	
CNC[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513179	EG	Annotated	Anodyne	
O=Cc1cnc2n1C=CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513295	EG	Annotated	Anodyne	
O=Cc1cnc2n1C=CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513298	EG	Annotated	Anodyne	
CN(C)/C=C1\C(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587513440	EG	Annotated	Mild	
CN(C)/C=C1/C(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587513444	EG	Annotated	Mild	
CN(C)/C=C1/C(=O)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587513446	EG	Annotated	Mild	
CN(C)/C=C1\C(=O)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587513449	EG	Annotated	Mild	
COC(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587513596	EG	Annotated	Anodyne	
COC(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587513597	EG	Annotated	Anodyne	
C[C@]1(Cn2ccc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513722	EG	Annotated	Bother	
C[C@@]1(Cn2ccc([N+](=O)[O-])n2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587513723	EG	Annotated	Bother	
O=C1C[C@@H](c2cc3c(cn2)OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587513866	EG	Annotated	Anodyne	
O=C1C[C@H](c2cc3c(cn2)OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587514031	EG	Annotated	Anodyne	
CCOC(=O)c1coc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587514118	EG	Annotated	Anodyne	
CCOC(=O)c1coc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587514120	EG	Annotated	Anodyne	
Cn1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O	ZINC000587514330	EG	Annotated	Anodyne	
Cn1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O	ZINC000587514332	EG	Annotated	Anodyne	
CCCN=c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587514366	EG	Annotated	Anodyne	
CCCN=c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587514368	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1C	ZINC000587514379	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1C	ZINC000587514382	EG	Annotated	Anodyne	
O=CNC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514397	EG	Annotated	Anodyne	
O=CNC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514399	EG	Annotated	Anodyne	
COc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nn1C	ZINC000587514607	EG	Annotated	Anodyne	
COc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nn1C	ZINC000587514611	EG	Annotated	Anodyne	
C=CN1CC[C@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514705	EG	Annotated	Anodyne	
C=CN1CC[C@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514720	EG	Annotated	Anodyne	
C=CN1CC[C@@H]([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514721	EG	Annotated	Anodyne	
C=CN1CC[C@@H]([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587514722	EG	Annotated	Anodyne	
COCCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587514741	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1	ZINC000587514774	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1	ZINC000587514776	EG	Annotated	Anodyne	
CN(C)/C=C/[C@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514886	EG	Annotated	Anodyne	
CN(C)/C=C/[C@@]1(c2cnccn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587514887	EG	Annotated	Anodyne	
C[C@@]1(c2cn3cccnc3n2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515181	EG	Annotated	Anodyne	
C[C@]1(c2cn3cccnc3n2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515183	EG	Annotated	Anodyne	
COc1cc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ncn1	ZINC000587515195	EG	Annotated	Anodyne	
COc1cc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ncn1	ZINC000587515196	EG	Annotated	Anodyne	
COCCc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587515485	EG	Annotated	Anodyne	
COCCc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587515490	EG	Annotated	Anodyne	
COc1ncnc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515512	EG	Annotated	Anodyne	
COc1ncnc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515513	EG	Annotated	Anodyne	
COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1	ZINC000587515754	EG	Annotated	Anodyne	
COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)n1	ZINC000587515755	EG	Annotated	Anodyne	
COc1cc(OC)nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587515790	EG	Annotated	Anodyne	
COc1cc(OC)nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1	ZINC000587515791	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1	ZINC000587515816	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccn1	ZINC000587515817	EG	Annotated	Anodyne	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2nncn12	ZINC000587515964	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515965	EG	Annotated	Mild	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2nncn12	ZINC000587515966	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@]1(CC#N)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587515967	EG	Annotated	Mild	
COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587515973	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587515974	EG	Annotated	Anodyne	
Cc1nn(CCO)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516776	EG	Annotated	Anodyne	
Cc1nn(CCO)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516778	EG	Annotated	Anodyne	
CC(C)[C@@]1(Cn2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516878	EG	Annotated	Anodyne	
CC(C)[C@]1(Cn2cncn2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587516879	EG	Annotated	Anodyne	
Cc1nn(C)c(N(C)C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517034	EG	Annotated	Anodyne	
Cc1nn(C)c(N(C)C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517035	EG	Annotated	Anodyne	
CCN1C(=O)C[C@]2(C=C1C)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587517152	EG	Annotated	Anodyne	
CCN1C(=O)C[C@@]2(C=C1C)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587517153	EG	Annotated	Anodyne	
Cn1cc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587517202	EG	Annotated	Anodyne	
Cn1cc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587517203	EG	Annotated	Anodyne	
O=C1C[C@H](c2ccnn2-c2ncccn2)Oc2c1ccc1c2CCCC1	ZINC000587517244	EG	Annotated	Anodyne	
O=C1C[C@@H](c2ccnn2-c2ncccn2)Oc2c1ccc1c2CCCC1	ZINC000587517245	EG	Annotated	Anodyne	
COCn1ncc(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517266	EG	Annotated	Anodyne	
COCn1ncc(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517267	EG	Annotated	Anodyne	
CC(=O)c1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C	ZINC000587517294	EG	Annotated	Anodyne	
CC(=O)c1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C	ZINC000587517295	EG	Annotated	Anodyne	
CC(C)[C@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517324	EG	Annotated	Anodyne	
CC(C)[C@@]1(c2ncnn2C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517325	EG	Annotated	Anodyne	
COCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587517618	EG	Annotated	Anodyne	
COCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1	ZINC000587517619	EG	Annotated	Anodyne	
CC(C)(n1cncn1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517622	EG	Annotated	Anodyne	
CC(C)(n1cncn1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587517623	EG	Annotated	Anodyne	
O=C1C[C@H](c2cnn(-c3cnccn3)c2)Oc2c1ccc1c2CCCC1	ZINC000587517770	EG	Annotated	Anodyne	
O=C1C[C@@H](c2cnn(-c3cnccn3)c2)Oc2c1ccc1c2CCCC1	ZINC000587517771	EG	Annotated	Anodyne	
Cc1c([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C	ZINC000587517867	EG	Annotated	Mild	
Cc1c([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C	ZINC000587517868	EG	Annotated	Mild	
CC(=O)c1cnn(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587518053	EG	Annotated	Anodyne	
CC(=O)c1cnn(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587518054	EG	Annotated	Anodyne	
CC(C)([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCOCC1	ZINC000587518698	EG	Annotated	Anodyne	
CC(C)([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)N1CCOCC1	ZINC000587518699	EG	Annotated	Anodyne	
CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587518962	EG	Annotated	Anodyne	
CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21	ZINC000587518963	EG	Annotated	Anodyne	
C[C@]1(/C=C/N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519010	EG	Annotated	Anodyne	
C[C@@]1(/C=C/N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519011	EG	Annotated	Anodyne	
Cn1c2c(ccc1=O)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519026	EG	Annotated	Anodyne	
Cn1c2c(ccc1=O)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519027	EG	Annotated	Anodyne	
C[C@]1(CCN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519165	EG	Annotated	Anodyne	
C[C@@]1(CCN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519166	EG	Annotated	Anodyne	
CC(C)(CN1CCOCC1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519171	EG	Annotated	Anodyne	
CC(C)(CN1CCOCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519172	EG	Annotated	Anodyne	
COC(=O)c1ncccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519190	EG	Annotated	Anodyne	
COC(=O)c1ncccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587519191	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1[C@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]21	ZINC000587520863	EG	Annotated	Anodyne	
CCOC(=O)C1[C@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]12	ZINC000587520880	EG	Annotated	Anodyne	
CCOC(=O)C1[C@@H]2CC3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]12	ZINC000587520881	EG	Annotated	Anodyne	
COC(=O)C(=O)C[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587521462	EG	Annotated	Anodyne	
COC(=O)C(=O)C[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587521478	EG	Annotated	Anodyne	
O=C1C[C@@H](c2cnc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587522211	EG	Annotated	Anodyne	
O=C1C[C@H](c2cnc3c(c2)OCCO3)Oc2c1ccc1c2CCCC1	ZINC000587522239	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(CCOC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522399	EG	Annotated	Anodyne	
O=C1N[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21	ZINC000587522401	EG	Annotated	Anodyne	
O=C1N[C@@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21	ZINC000587522405	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(CCOC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522406	EG	Annotated	Anodyne	
O=C1N[C@@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21	ZINC000587522408	EG	Annotated	Anodyne	
O=C1N[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)Nc2ccccc21	ZINC000587522410	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522705	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522706	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]21	ZINC000587522708	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]21	ZINC000587522712	EG	Annotated	Anodyne	
CCOC(=O)c1c[nH]nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522959	EG	Annotated	Anodyne	
CCOC(=O)c1c[nH]nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587522971	EG	Annotated	Anodyne	
O=C1CC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CN1	ZINC000587523020	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1	ZINC000587523067	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1	ZINC000587523078	EG	Annotated	Anodyne	
COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587523104	EG	Annotated	Anodyne	
COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]1	ZINC000587523110	EG	Annotated	Anodyne	
C#C[C@@]1(C(OCC)OCC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523131	EG	Annotated	Mild	
C#C[C@]1(C(OCC)OCC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523141	EG	Annotated	Mild	
CCOC(=O)c1[nH]cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523146	EG	Annotated	Anodyne	
CCOC(=O)c1[nH]cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523147	EG	Annotated	Anodyne	
COc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523810	EG	Annotated	Anodyne	
COc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587523817	EG	Annotated	Anodyne	
O=C1C[C@H](c2ccc(-c3nn[nH]n3)cc2)Oc2c1ccc1c2CCCC1	ZINC000587523944	EG	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(-c3nn[nH]n3)cc2)Oc2c1ccc1c2CCCC1	ZINC000587523950	EG	Annotated	Anodyne	
C[C@@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524038	EG	Annotated	Anodyne	
C[C@]1(c2c[nH]c(C(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524039	EG	Annotated	Anodyne	
O=C1C[C@@H](c2cncc3c2NCCO3)Oc2c1ccc1c2CCCC1	ZINC000587524120	EG	Annotated	Anodyne	
O=C1C[C@H](c2cncc3c2NCCO3)Oc2c1ccc1c2CCCC1	ZINC000587524151	EG	Annotated	Anodyne	
C[C@]1(c2cc(C(=O)O)no2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524177	EG	Annotated	Anodyne	
C[C@@]1(c2cc(C(=O)O)no2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524178	EG	Annotated	Anodyne	
COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C	ZINC000587524267	EG	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C	ZINC000587524268	EG	Annotated	Anodyne	
COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C	ZINC000587524269	EG	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C	ZINC000587524270	EG	Annotated	Anodyne	
COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C(=O)O)C1	ZINC000587524340	EG	Annotated	Anodyne	
COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C(=O)O)C1	ZINC000587524347	EG	Annotated	Anodyne	
COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C(=O)O)C1	ZINC000587524348	EG	Annotated	Anodyne	
COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H](C(=O)O)C1	ZINC000587524349	EG	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524459	EG	Annotated	Anodyne	
CCOC(=O)C(=O)C[C@@]1(CC)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587524460	EG	Annotated	Anodyne	
COC(=O)C12CC([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)(C1)C2	ZINC000587525502	EG	Annotated	Anodyne	
COC(=O)C12CC([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)(C1)C2	ZINC000587525506	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525610	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587525616	EG	Annotated	Anodyne	
CCOC1=C(OCC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587525693	EG	Annotated	Mild	
CCOC1=C(OCC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O	ZINC000587525698	EG	Annotated	Mild	
Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2ncnn12	ZINC000587525820	EG	Annotated	Anodyne	
Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnc2ncnn12	ZINC000587525824	EG	Annotated	Anodyne	
C#Cc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	ZINC000587526138	EG	Annotated	Mild	
C#Cc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	ZINC000587526149	EG	Annotated	Mild	
COC(=O)[C@@H]1[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587526237	EG	Annotated	Anodyne	
COC(=O)[C@H]1[C@H](C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587526242	EG	Annotated	Anodyne	
COC(=O)[C@H]1[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587526248	EG	Annotated	Anodyne	
COC(=O)[C@@H]1[C@H](C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587526250	EG	Annotated	Anodyne	
O=C1C[C@H](c2cccc(-c3nn[nH]n3)c2)Oc2c1ccc1c2CCCC1	ZINC000587526266	EG	Annotated	Anodyne	
O=C1C[C@@H](c2cccc(-c3nn[nH]n3)c2)Oc2c1ccc1c2CCCC1	ZINC000587526269	EG	Annotated	Anodyne	
N#Cc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526415	EG	Annotated	Mild	
N#Cc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587526429	EG	Annotated	Mild	
COc1cccc2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	ZINC000587526959	EG	Annotated	Anodyne	
COc1cccc2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	ZINC000587526967	EG	Annotated	Anodyne	
COc1ccc([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587527003	EG	Annotated	Anodyne	
COc1ccc([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587527025	EG	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(O)ccc12	ZINC000587527103	EG	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(O)ccc12	ZINC000587527111	EG	Annotated	Anodyne	
N#Cc1cnn2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12	ZINC000587527362	EG	Annotated	Mild	
N#Cc1cnn2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc12	ZINC000587527363	EG	Annotated	Mild	
COc1cccc2c1NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527697	EG	Annotated	Anodyne	
COc1cccc2c1NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587527698	EG	Annotated	Anodyne	
CCOC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]n1	ZINC000587527713	EG	Annotated	Anodyne	
CCOC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]n1	ZINC000587527714	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	ZINC000587527763	EG	Annotated	Anodyne	
COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2	ZINC000587527764	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1	ZINC000587527906	EG	Annotated	Anodyne	
COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)[nH]1	ZINC000587527909	EG	Annotated	Anodyne	
CCOC(=O)c1n[nH]cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587528260	EG	Annotated	Anodyne	
CCOC(=O)c1n[nH]cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587528262	EG	Annotated	Anodyne	
O=C1CCC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)N1	ZINC000587528413	EG	Annotated	Anodyne	
Cc1ccc([C@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587529252	EG	Annotated	Anodyne	
Cc1ccc([C@@]2(C(O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1	ZINC000587529253	EG	Annotated	Anodyne	
CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CS(=O)(=O)C1	ZINC000587530342	EG	Annotated	Anodyne	
CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CS(=O)(=O)C1	ZINC000587530343	EG	Annotated	Anodyne	
COC[C@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530558	EG	Annotated	Anodyne	
COC[C@@]1(C2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587530559	EG	Annotated	Anodyne	
NC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587530775	EG	Annotated	Anodyne	
NC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1	ZINC000587530781	EG	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]2[C@H]5C(=O)[C@H]41	ZINC000587531284	EG	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@@H]4[C@H]5[C@H]3[C@@H]2[C@@H]5C(=O)[C@@H]41	ZINC000587531288	EG	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12	ZINC000587531289	EG	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]1[C@H]5[C@H]42	ZINC000587531290	EG	Annotated	Anodyne	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H]3C[C@H]4[C@H]1C(=O)[C@@H]1[C@H]4[C@H]3[C@H]12	ZINC000587531293	EG	Annotated	Anodyne	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H]3C(=O)[C@H]4[C@@H]5C[C@@H]([C@@H]1[C@H]53)[C@H]42	ZINC000587531296	EG	Annotated	Anodyne	
O=C1C[C@H](c2cc(O)c(O)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587531466	EG	Annotated	Clean	
O=C1C[C@@H](c2cc(O)c(O)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587531469	EG	Annotated	Clean	
CCOC(=O)C[C@@]1(CS)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531598	EG	Annotated	Mild	
CCOC(=O)C[C@]1(CS)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587531606	EG	Annotated	Mild	
O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2c1ccc1c2CCCC1	ZINC000587531806	EG	Annotated	Clean	
O=C1C[C@H](c2cc(O)c(O)c(O)c2)Oc2c1ccc1c2CCCC1	ZINC000587531807	EG	Annotated	Clean	
O=C1C[C@@](C(=O)O)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1	ZINC000587531834	EG	Annotated	Anodyne	
O=C1C[C@](C(=O)O)(c2ccc(O)cc2)Oc2c1ccc1c2CCCC1	ZINC000587531837	EG	Annotated	Anodyne	
O=C1C[C@]2(Cc3ccccc3OC2=O)Oc2c1ccc1c2CCCC1	ZINC000587532482	EG	Annotated	Anodyne	
O=C1C[C@@]2(Cc3ccccc3OC2=O)Oc2c1ccc1c2CCCC1	ZINC000587532487	EG	Annotated	Anodyne	
CS(=O)(=O)[C@@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587532494	EG	Annotated	Anodyne	
CS(=O)(=O)[C@H]1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587532495	EG	Annotated	Anodyne	
CS(=O)(=O)[C@@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587532496	EG	Annotated	Anodyne	
CS(=O)(=O)[C@H]1CCC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1	ZINC000587532497	EG	Annotated	Anodyne	
O=C1C[C@@H](c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1	ZINC000587532808	EG	Annotated	Clean	
O=C1C[C@H](c2ccc(O)c(O)c2O)Oc2c1ccc1c2CCCC1	ZINC000587532809	EG	Annotated	Clean	
CS(=O)(=O)[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587532883	EG	Annotated	Anodyne	
CS(=O)(=O)[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587532885	EG	Annotated	Anodyne	
CS(=O)(=O)[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587532886	EG	Annotated	Anodyne	
CS(=O)(=O)[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587532888	EG	Annotated	Anodyne	
O=C1C[C@@H](c2cc(O)nc(S)n2)Oc2c1ccc1c2CCCC1	ZINC000587533326	EG	Annotated	Anodyne	
O=C1C[C@H](c2cc(O)nc(S)n2)Oc2c1ccc1c2CCCC1	ZINC000587533332	EG	Annotated	Anodyne	
NC(=O)c1csc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587533556	EG	Annotated	Anodyne	
NC(=O)c1csc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	ZINC000587533558	EG	Annotated	Anodyne	
C[C@@]1(C2CCS(=O)(=O)CC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533938	EG	Annotated	Anodyne	
C[C@]1(C2CCS(=O)(=O)CC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587533939	EG	Annotated	Anodyne	
O=C1C[C@@H](c2c(O)cc(O)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587534002	EG	Annotated	Anodyne	
O=C1C[C@H](c2c(O)cc(O)cc2O)Oc2c1ccc1c2CCCC1	ZINC000587534003	EG	Annotated	Anodyne	
O=C1C[C@@](Cc2ccco2)(C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587534078	EG	Annotated	Anodyne	
O=C1C[C@](Cc2ccco2)(C(=O)O)Oc2c1ccc1c2CCCC1	ZINC000587534085	EG	Annotated	Anodyne	
CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(=N)[nH]1	ZINC000587534180	EG	Annotated	Anodyne	
CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(=N)[nH]1	ZINC000587534183	EG	Annotated	Anodyne	
CC1(C)C[C@@]2(C=C(C(=O)O)O1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587535201	EG	Annotated	Anodyne	
CC1(C)C[C@]2(C=C(C(=O)O)O1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587535203	EG	Annotated	Anodyne	
CC1(C)OC(C(=O)O)=C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587535633	EG	Annotated	Anodyne	
CC1(C)OC(C(=O)O)=C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587535636	EG	Annotated	Anodyne	
O=C1C[C@](CC2OCCO2)(C2CC2)Oc2c1ccc1c2CCCC1	ZINC000587536235	EG	Annotated	Anodyne	
O=C1C[C@@](CC2OCCO2)(C2CC2)Oc2c1ccc1c2CCCC1	ZINC000587536236	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587536828	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CC[C@@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587536829	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CC[C@@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587536830	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CC[C@]2(CO1)CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587536831	EG	Annotated	Anodyne	
N=c1[nH]c2c(s1)C[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587537364	EG	Annotated	Anodyne	
N=c1[nH]c2c(s1)C[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3	ZINC000587537365	EG	Annotated	Anodyne	
COC(=O)[C@H]1CSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587537858	EG	Annotated	Anodyne	
COC(=O)[C@H]1CSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587537869	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CSCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587537872	EG	Annotated	Anodyne	
COC(=O)[C@@H]1CSCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587537875	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CSC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587538723	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1CSC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587538726	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CSC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587538728	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1CSC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587538730	EG	Annotated	Anodyne	
COC(=O)[C@@H]1SC[C@H](C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587539246	EG	Annotated	Anodyne	
COC(=O)[C@@H]1SC[C@@H](C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587539250	EG	Annotated	Anodyne	
COC(=O)[C@@H]1SC[C@H](C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587539253	EG	Annotated	Anodyne	
COC(=O)[C@@H]1SC[C@@H](C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3	ZINC000587539254	EG	Annotated	Anodyne	
CCOC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587545176	EG	Annotated	Reactive	
CCOC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587545204	EG	Annotated	Reactive	
CCOC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587545205	EG	Annotated	Reactive	
CCOC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587545208	EG	Annotated	Reactive	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]cc1Cl	ZINC000587552353	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]cc1Cl	ZINC000587552354	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]cc1Cl	ZINC000587552355	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]cc1Cl	ZINC000587552356	EG	Annotated	Anodyne	
CC(C)c1cc2c(O)nc(O)nc2nc1[C@H](C)NC(=O)OC(C)(C)C	ZINC000587552791	EG	Annotated	Anodyne	
Nc1cccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1	ZINC000587554655	EG	Annotated	Anodyne	
CC(C)Oc1ccc([C@@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1	ZINC000587555122	EG	Annotated	Anodyne	
CC(C)Oc1ccc([C@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1	ZINC000587555126	EG	Annotated	Anodyne	
Cc1cc(C)c2[nH]c3c(c2c1)CCc1cc2c(O)nc(O)nc2nc1-3	ZINC000587555473	EG	Annotated	Anodyne	
Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OCC(C)C)cc1	ZINC000587555506	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	ZINC000587555566	EG	Annotated	Anodyne	
N#CC[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587555768	EG	Annotated	Mild	
N#CC[C@]1(C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587555770	EG	Annotated	Mild	
N#CC[C@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587555771	EG	Annotated	Mild	
N#CC[C@@]1(C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587555772	EG	Annotated	Mild	
CC(C)(Cc1ccc2c(O)nc(O)nc2n1)c1c[nH]c2ccccc12	ZINC000587555860	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3ccc(N4CCCCCC4)cc3)nc2n1	ZINC000587557257	EG	Annotated	Anodyne	
CC1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)CC1	ZINC000587557895	EG	Annotated	Anodyne	
Cc1ccc(C)c(-n2ncc(-c3ccc4c(O)nc(O)nc4n3)c2C)c1	ZINC000587557937	EG	Annotated	Anodyne	
Cc1ccc2c(c1)CCCN2[C@H](C)c1ccc2c(O)nc(O)nc2n1	ZINC000587558346	EG	Annotated	Anodyne	
Cc1ccc2c(c1)CCCN2[C@@H](C)c1ccc2c(O)nc(O)nc2n1	ZINC000587558347	EG	Annotated	Anodyne	
COc1cccc(/C=C2/CCCc3cc4c(O)nc(O)nc4nc32)c1	ZINC000587558651	EG	Annotated	Anodyne	
COc1cccc(/C=C2\CCCc3cc4c(O)nc(O)nc4nc32)c1	ZINC000587558652	EG	Annotated	Anodyne	
COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1C(C)(C)C	ZINC000587558854	EG	Annotated	Anodyne	
CCCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1OC	ZINC000587559144	EG	Annotated	Anodyne	
CCc1cc2c(O)nc(O)nc2nc1-c1c(C)c2ccccc2n1C	ZINC000587559281	EG	Annotated	Clean	
CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2C)cc1OCC	ZINC000587559526	EG	Annotated	Anodyne	
CCCCCC[C@@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1	ZINC000587559578	EG	Annotated	Anodyne	
CCCCCC[C@H](C(=O)OCC)c1ccc2c(O)nc(O)nc2n1	ZINC000587559579	EG	Annotated	Anodyne	
C/C=C\COc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1	ZINC000587559979	EG	Annotated	Anodyne	
C/C=C/COc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1	ZINC000587559980	EG	Annotated	Anodyne	
C/C=C\COc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1	ZINC000587560023	EG	Annotated	Anodyne	
C/C=C/COc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1	ZINC000587560024	EG	Annotated	Anodyne	
O=Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)o1	ZINC000587560217	EG	Annotated	Anodyne	
O=C(O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)o1	ZINC000587560222	EG	Annotated	Anodyne	
COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(C)C)cc1	ZINC000587560256	EG	Annotated	Anodyne	
COc1ccc2cc(Cc3cc4c(O)nc(O)nc4nc3C)ccc2c1	ZINC000587560438	EG	Annotated	Anodyne	
CCCCc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccccc1	ZINC000587560753	EG	Annotated	Anodyne	
COc1ccc2cc(CCc3ccc4c(O)nc(O)nc4n3)ccc2c1	ZINC000587561039	EG	Annotated	Anodyne	
CC(=O)[C@@H](C/C=C\c1ccccc1)c1ccc2c(O)nc(O)nc2n1	ZINC000587561178	EG	Annotated	Anodyne	
CC(=O)[C@H](C/C=C/c1ccccc1)c1ccc2c(O)nc(O)nc2n1	ZINC000587561179	EG	Annotated	Anodyne	
CC(=O)[C@@H](C/C=C/c1ccccc1)c1ccc2c(O)nc(O)nc2n1	ZINC000587561180	EG	Annotated	Anodyne	
CC(=O)[C@H](C/C=C\c1ccccc1)c1ccc2c(O)nc(O)nc2n1	ZINC000587561182	EG	Annotated	Anodyne	
CC(C)c1ccc([C@@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1	ZINC000587561223	EG	Annotated	Anodyne	
CC(C)c1ccc([C@H]2CC(=O)Cc3nc4nc(O)nc(O)c4cc32)cc1	ZINC000587561224	EG	Annotated	Anodyne	
Oc1nc(O)c2ccc(-c3cc(-c4ccccc4)ccc3O)nc2n1	ZINC000587561798	EG	Annotated	Anodyne	
Oc1nc(O)c2cc(Cc3ccccc3)c(-c3ccccc3O)nc2n1	ZINC000587562026	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)-c1ccc2ccccc2c1OCC3	ZINC000587562512	EG	Annotated	Anodyne	
CC1(C)CC[C@@H]2O[C@@]2(C)[C@H]1/C=C/c1ccc2c(O)nc(O)nc2n1	ZINC000587562519	EG	Annotated	Anodyne	
CC1(C)CC[C@@H]2O[C@@]2(C)[C@@H]1/C=C/c1ccc2c(O)nc(O)nc2n1	ZINC000587562520	EG	Annotated	Anodyne	
CC1(C)CC[C@@H]2O[C@]2(C)[C@H]1/C=C/c1ccc2c(O)nc(O)nc2n1	ZINC000587562521	EG	Annotated	Anodyne	
CC1(C)CC[C@@H]2O[C@]2(C)[C@@H]1/C=C/c1ccc2c(O)nc(O)nc2n1	ZINC000587562522	EG	Annotated	Anodyne	
Cc1cc(-c2ccc3c(O)nc(O)nc3n2)sc1Br	ZINC000587562523	EG	Annotated	Anodyne	
Nc1cc(-c2ccccc2)sc1-c1ccc2c(O)nc(O)nc2n1	ZINC000587562557	EG	Annotated	Anodyne	
O=C(O)COCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587562833	EG	Annotated	Anodyne	
Nc1sc(-c2ccccc2)cc1-c1ccc2c(O)nc(O)nc2n1	ZINC000587562890	EG	Annotated	Anodyne	
COCC(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	ZINC000587562935	EG	Annotated	Anodyne	
C#CCOc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1	ZINC000587563014	EG	Annotated	Mild	
Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Br)s1	ZINC000587563093	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)-c1cc(Cl)ccc1SCC3	ZINC000587563137	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587563208	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(COc3ccc(C)cc3OC)nc2c1	ZINC000587563219	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587563638	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587563646	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587563735	EG	Annotated	Anodyne	
Cc1sc(Br)cc1-c1ccc2c(O)nc(O)nc2n1	ZINC000587563784	EG	Annotated	Anodyne	
Cc1nc(C)c2c(C)c(-c3ccc4c(O)nc(O)nc4n3)sc2n1	ZINC000587564086	EG	Annotated	Anodyne	
C#CCOc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1	ZINC000587564142	EG	Annotated	Mild	
COc1cc(C)ccc1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587564223	EG	Annotated	Anodyne	
Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1	ZINC000587564301	EG	Annotated	Anodyne	
CCN1/C(=C\c2ccc3c(O)nc(O)nc3n2)Sc2ccccc21	ZINC000587564420	EG	Annotated	Anodyne	
CCN1/C(=C/c2ccc3c(O)nc(O)nc3n2)Sc2ccccc21	ZINC000587564424	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587564474	EG	Annotated	Mild	
Cc1cccc(OCc2nc3nc(Br)c[nH]c-3n2)c1C	ZINC000587564491	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587564653	EG	Annotated	Anodyne	
Oc1nc(O)c2cc3c(nc2n1)-c1sc(-c2ccccc2)nc1CC3	ZINC000587564716	EG	Annotated	Anodyne	
COc1cc(C)ccc1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1	ZINC000587564736	EG	Annotated	Anodyne	
COc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cc1OC	ZINC000587564840	EG	Annotated	Anodyne	
Cc1cc(C)cc(OCc2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587565118	EG	Annotated	Anodyne	
CCC(C)(C)c1ccc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1	ZINC000587565346	EG	Annotated	Mild	
CC1=C(c2ccc3nc(COc4ccc(C)cc4)[nH]c3c2)NNC(=O)C1	ZINC000587565390	EG	Annotated	Anodyne	
CCC(C)(C)c1ccc(OCc2nc3c(O)nc(O)nc3[nH]2)cc1	ZINC000587565471	EG	Annotated	Anodyne	
Cc1ccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587565490	EG	Annotated	Bother	
CC(C)COc1cccc(OCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1	ZINC000587565560	EG	Annotated	Bother	
COC(=O)c1ccc2nc(COc3ccc(C)cc3)[nH]c2c1OC	ZINC000587565572	EG	Annotated	Anodyne	
Brc1ccc2nc(CCOCc3ccccc3)[nH]c2n1	ZINC000587565844	EG	Annotated	Anodyne	
Brc1nccc2nc(CCOCc3ccccc3)[nH]c12	ZINC000587565957	EG	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1	ZINC000587565975	EG	Annotated	Bother	
COC(=O)c1cc2[nH]c(COc3ccc(C)cc3)nc2cc1OC	ZINC000587566022	EG	Annotated	Anodyne	
Brc1ccnc2[nH]c(CCOCc3ccccc3)nc12	ZINC000587566043	EG	Annotated	Anodyne	
Brc1cc2nc(CCOCc3ccccc3)[nH]c2cn1	ZINC000587566064	EG	Annotated	Anodyne	
CC(C)COc1cccc(OCc2nc3cc(N)c(N)cc3[nH]2)c1	ZINC000587566095	EG	Annotated	Anodyne	
Brc1cnc2[nH]c(CCOCc3ccccc3)nc2c1	ZINC000587566156	EG	Annotated	Anodyne	
Brc1cncc2nc(CCOCc3ccccc3)[nH]c12	ZINC000587566193	EG	Annotated	Anodyne	
COc1cc2nc(CCOc3ccc(C=O)cc3)[nH]c2cc1OC	ZINC000587566303	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1	ZINC000587566313	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cncc(Br)c3[nH]2)cc1	ZINC000587566322	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(Br)ncc3[nH]2)cc1	ZINC000587566352	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1OC	ZINC000587566393	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1	ZINC000587566415	EG	Annotated	Anodyne	
Cc1cc2[nH]c(CCOc3ccc(C=O)cc3)nc2cc1[N+](=O)[O-]	ZINC000587566428	EG	Annotated	Bother	
COC(=O)c1cc2[nH]c(CCOCc3ccccc3)nc2cc1OC	ZINC000587566435	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	ZINC000587566453	EG	Annotated	Bother	
O=Cc1ccc(OCCc2nc3ccnc(Br)c3[nH]2)cc1	ZINC000587566485	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(Br)cnc3[nH]2)cc1	ZINC000587566510	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1	ZINC000587566531	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1	ZINC000587566536	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc2nc(CCOCc3ccccc3)[nH]c2cc1[N+](=O)[O-]	ZINC000587566590	EG	Annotated	Bother	
CCCOc1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587566622	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3c(Br)ccnc3[nH]2)cc1	ZINC000587566644	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(CCOc3ccc(C=O)cc3)nc2c1	ZINC000587566720	EG	Annotated	Anodyne	
O=Cc1ccc(OCCc2nc3ccc(Br)nc3[nH]2)cc1	ZINC000587566723	EG	Annotated	Anodyne	
CCOC(=O)CCOCCCOCCc1nc2c(C)ccc(C)c2[nH]1	ZINC000587567312	EG	Annotated	Anodyne	
CCOC(=O)CCOCCCOCCc1nc2cc(C)cc(C)c2[nH]1	ZINC000587568839	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cn1	ZINC000587569106	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cn1	ZINC000587569111	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(F)cn1	ZINC000587569397	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(F)cn1	ZINC000587569398	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCO[C@H](F)C2	ZINC000587569797	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCO[C@H](F)C2	ZINC000587569798	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCO[C@@H](F)C2	ZINC000587569799	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCO[C@@H](F)C2	ZINC000587569800	EG	Annotated	Anodyne	
CCOC(=O)CCOCCCOCCc1nc2ccc(C)c(C)c2[nH]1	ZINC000587570729	EG	Annotated	Anodyne	
C/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587572495	EG	Annotated	Anodyne	
C/C(=C\N(C)C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587572500	EG	Annotated	Anodyne	
C/C(=C\N(C)C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587572503	EG	Annotated	Anodyne	
C/C(=C\N(C)C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587572505	EG	Annotated	Anodyne	
Cc1cnc(N)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587572893	EG	Annotated	Anodyne	
Cc1cnc(N)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587572898	EG	Annotated	Anodyne	
Cc1cnc(N)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587572900	EG	Annotated	Anodyne	
Cc1cnc(N)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587572902	EG	Annotated	Anodyne	
CCN(CC)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587573655	EG	Annotated	Anodyne	
CCN(CC)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587573656	EG	Annotated	Anodyne	
CCN(CC)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587573657	EG	Annotated	Anodyne	
CCN(CC)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587573658	EG	Annotated	Anodyne	
CN(C)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587573841	EG	Annotated	Anodyne	
CN(C)CC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587573842	EG	Annotated	Anodyne	
CN(C)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587573843	EG	Annotated	Anodyne	
CN(C)CC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587573844	EG	Annotated	Anodyne	
CN(C)/C=C/[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574250	EG	Annotated	Anodyne	
CN(C)/C=C/[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574251	EG	Annotated	Anodyne	
CN(C)/C=C/[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574252	EG	Annotated	Anodyne	
CN(C)/C=C/[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574253	EG	Annotated	Anodyne	
Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1	ZINC000587574335	EG	Annotated	Anodyne	
Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1	ZINC000587574336	EG	Annotated	Anodyne	
Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)n1	ZINC000587574337	EG	Annotated	Anodyne	
Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)n1	ZINC000587574338	EG	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1C	ZINC000587574773	EG	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1C	ZINC000587574775	EG	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1C	ZINC000587574776	EG	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1C	ZINC000587574778	EG	Annotated	Anodyne	
CN(C)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574779	EG	Annotated	Anodyne	
CN(C)CCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574780	EG	Annotated	Anodyne	
CN(C)CCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574782	EG	Annotated	Anodyne	
CN(C)CCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574784	EG	Annotated	Anodyne	
CN(C)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574793	EG	Annotated	Anodyne	
CN(C)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574796	EG	Annotated	Anodyne	
CN(C)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587574798	EG	Annotated	Anodyne	
CN(C)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587574799	EG	Annotated	Anodyne	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N	ZINC000587574860	EG	Annotated	Mild	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N	ZINC000587574862	EG	Annotated	Mild	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N	ZINC000587574863	EG	Annotated	Mild	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N	ZINC000587574865	EG	Annotated	Mild	
NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575050	EG	Annotated	Anodyne	
NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575052	EG	Annotated	Anodyne	
NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575054	EG	Annotated	Anodyne	
NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575057	EG	Annotated	Anodyne	
C[C@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575151	EG	Annotated	Anodyne	
C[C@@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587575152	EG	Annotated	Anodyne	
C[C@@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575153	EG	Annotated	Anodyne	
C[C@]1(c2ccncc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587575154	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C	ZINC000587576022	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C	ZINC000587576023	EG	Annotated	Anodyne	
Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C	ZINC000587576024	EG	Annotated	Anodyne	
Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C	ZINC000587576026	EG	Annotated	Anodyne	
Cn1cncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576111	EG	Annotated	Anodyne	
Cn1cncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576116	EG	Annotated	Anodyne	
Cn1cncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576119	EG	Annotated	Anodyne	
Cn1cncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576122	EG	Annotated	Anodyne	
Cc1cn(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587576258	EG	Annotated	Anodyne	
Cc1cn(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587576259	EG	Annotated	Anodyne	
Cc1cn(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587576261	EG	Annotated	Anodyne	
Cc1cn(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587576263	EG	Annotated	Anodyne	
CCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576611	EG	Annotated	Anodyne	
CCn1ccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576613	EG	Annotated	Anodyne	
CCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576614	EG	Annotated	Anodyne	
CCn1ccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576615	EG	Annotated	Anodyne	
C[C@@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576616	EG	Annotated	Anodyne	
C[C@@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576617	EG	Annotated	Anodyne	
C[C@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587576618	EG	Annotated	Anodyne	
C[C@]1(Cn2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587576619	EG	Annotated	Anodyne	
CC(C)(C)[C@@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577418	EG	Annotated	Anodyne	
CC(C)(C)[C@]1(CN)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577420	EG	Annotated	Anodyne	
CC(C)(C)[C@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577421	EG	Annotated	Anodyne	
CC(C)(C)[C@@]1(CN)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577423	EG	Annotated	Anodyne	
Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577451	EG	Annotated	Anodyne	
Nc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577453	EG	Annotated	Anodyne	
Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577455	EG	Annotated	Anodyne	
Nc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577456	EG	Annotated	Anodyne	
C[C@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577582	EG	Annotated	Anodyne	
C[C@@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577583	EG	Annotated	Anodyne	
C[C@@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577584	EG	Annotated	Anodyne	
C[C@]1(c2cc[nH]c(=N)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577585	EG	Annotated	Anodyne	
Cn1ccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577716	EG	Annotated	Anodyne	
Cn1ccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587577718	EG	Annotated	Anodyne	
Cn1ccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577721	EG	Annotated	Anodyne	
Cn1ccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587577723	EG	Annotated	Anodyne	
CCn1cncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578074	EG	Annotated	Anodyne	
CCn1cncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578078	EG	Annotated	Anodyne	
CCn1cncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578079	EG	Annotated	Anodyne	
CCn1cncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578081	EG	Annotated	Anodyne	
C[C@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578340	EG	Annotated	Anodyne	
C[C@@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578341	EG	Annotated	Anodyne	
C[C@@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578342	EG	Annotated	Anodyne	
C[C@]1(c2ccc(=N)[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578343	EG	Annotated	Anodyne	
Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578699	EG	Annotated	Anodyne	
Nc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578700	EG	Annotated	Anodyne	
Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587578701	EG	Annotated	Anodyne	
Nc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587578702	EG	Annotated	Anodyne	
C[C@@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579093	EG	Annotated	Anodyne	
C[C@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579094	EG	Annotated	Anodyne	
C[C@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579095	EG	Annotated	Anodyne	
C[C@@]1(c2cccnc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579096	EG	Annotated	Anodyne	
Nc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579448	EG	Annotated	Anodyne	
Nc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579449	EG	Annotated	Anodyne	
Nc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579450	EG	Annotated	Anodyne	
Nc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579451	EG	Annotated	Anodyne	
C[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579705	EG	Annotated	Anodyne	
C[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579706	EG	Annotated	Anodyne	
C[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579707	EG	Annotated	Anodyne	
C[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579708	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579748	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579749	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579750	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579751	EG	Annotated	Anodyne	
C[C@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579818	EG	Annotated	Anodyne	
C[C@@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587579819	EG	Annotated	Anodyne	
C[C@@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579820	EG	Annotated	Anodyne	
C[C@]1(c2c[nH]ccc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587579821	EG	Annotated	Anodyne	
CN1CCC([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1	ZINC000587579905	EG	Annotated	Anodyne	
CN1CCC([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1	ZINC000587579907	EG	Annotated	Anodyne	
CN1CCC([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1	ZINC000587579909	EG	Annotated	Anodyne	
CN1CCC([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1	ZINC000587579910	EG	Annotated	Anodyne	
CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587579915	EG	Annotated	Anodyne	
CCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587579916	EG	Annotated	Anodyne	
CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587579917	EG	Annotated	Anodyne	
CCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587579918	EG	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C	ZINC000587580101	EG	Annotated	Anodyne	
Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C	ZINC000587580102	EG	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C	ZINC000587580104	EG	Annotated	Anodyne	
Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C	ZINC000587580105	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C	ZINC000587580420	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C	ZINC000587580421	EG	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C	ZINC000587580422	EG	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C	ZINC000587580423	EG	Annotated	Anodyne	
C[C@@H]1CN(C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587580715	EG	Annotated	Anodyne	
C[C@@H]1CN(C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587580718	EG	Annotated	Anodyne	
C[C@@H]1CN(C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587580721	EG	Annotated	Anodyne	
C[C@@H]1CN(C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587580730	EG	Annotated	Anodyne	
CCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587580784	EG	Annotated	Anodyne	
CCn1nccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587580786	EG	Annotated	Anodyne	
CCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587580788	EG	Annotated	Anodyne	
CCn1nccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587580789	EG	Annotated	Anodyne	
CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587580826	EG	Annotated	Anodyne	
CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587580827	EG	Annotated	Anodyne	
CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587580828	EG	Annotated	Anodyne	
CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587580830	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCn1cccn1	ZINC000587580831	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCn1cccn1	ZINC000587580833	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCn1cccn1	ZINC000587580834	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCn1cccn1	ZINC000587580836	EG	Annotated	Anodyne	
C[C@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581725	EG	Annotated	Anodyne	
C[C@@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587581726	EG	Annotated	Anodyne	
C[C@@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581727	EG	Annotated	Anodyne	
C[C@]1(c2ncccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587581728	EG	Annotated	Anodyne	
C=CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587581822	EG	Annotated	Mild	
C=CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587581823	EG	Annotated	Mild	
C=CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587581824	EG	Annotated	Mild	
C=CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587581825	EG	Annotated	Mild	
C[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587581976	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587581977	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587581979	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587581981	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587582484	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587582485	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587582486	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587582487	EG	Annotated	Anodyne	
Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587582588	EG	Annotated	Anodyne	
Cn1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587582589	EG	Annotated	Anodyne	
Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587582590	EG	Annotated	Anodyne	
Cn1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587582591	EG	Annotated	Anodyne	
Cn1nccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587582624	EG	Annotated	Anodyne	
Cn1nccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587582625	EG	Annotated	Anodyne	
Cn1nccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587582626	EG	Annotated	Anodyne	
Cn1nccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587582627	EG	Annotated	Anodyne	
CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587582656	EG	Annotated	Anodyne	
CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587582657	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587583392	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587583393	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587583394	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587583395	EG	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)n1	ZINC000587583690	EG	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)n1	ZINC000587583691	EG	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)n1	ZINC000587583692	EG	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)n1	ZINC000587583693	EG	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C	ZINC000587583726	EG	Annotated	Anodyne	
Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C	ZINC000587583727	EG	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1C	ZINC000587583728	EG	Annotated	Anodyne	
Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1C	ZINC000587583729	EG	Annotated	Anodyne	
CC(C)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583865	EG	Annotated	Anodyne	
CC(C)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587583866	EG	Annotated	Anodyne	
CC(C)N1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583868	EG	Annotated	Anodyne	
CC(C)N1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587583871	EG	Annotated	Anodyne	
Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587583982	EG	Annotated	Anodyne	
Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587583983	EG	Annotated	Anodyne	
Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587583984	EG	Annotated	Anodyne	
Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587583985	EG	Annotated	Anodyne	
C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587584246	EG	Annotated	Anodyne	
C=Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587584247	EG	Annotated	Anodyne	
C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587584248	EG	Annotated	Anodyne	
C=Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587584249	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584255	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584257	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584258	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584259	EG	Annotated	Anodyne	
CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587584491	EG	Annotated	Anodyne	
CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587584492	EG	Annotated	Anodyne	
CCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587584493	EG	Annotated	Anodyne	
CCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587584494	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587584535	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587584536	EG	Annotated	Anodyne	
Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587584537	EG	Annotated	Anodyne	
Cc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587584538	EG	Annotated	Anodyne	
CN1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587584725	EG	Annotated	Anodyne	
CN1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587584727	EG	Annotated	Anodyne	
CN1CCC[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587584728	EG	Annotated	Anodyne	
CN1CCC[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587584729	EG	Annotated	Anodyne	
C[C@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584752	EG	Annotated	Anodyne	
C[C@@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587584755	EG	Annotated	Anodyne	
C[C@@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584756	EG	Annotated	Anodyne	
C[C@]1(c2ccc(O)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587584757	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)n1	ZINC000587584781	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(O)n1	ZINC000587584785	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)n1	ZINC000587584787	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(O)n1	ZINC000587584789	EG	Annotated	Anodyne	
N#Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587584791	EG	Annotated	Mild	
N#Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587584794	EG	Annotated	Mild	
N#Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587584796	EG	Annotated	Mild	
N#Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587584797	EG	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1ccnc12	ZINC000587584941	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=Cn1ccnc12	ZINC000587584942	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=Cn1ccnc12	ZINC000587584943	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1ccnc12	ZINC000587584944	EG	Annotated	Anodyne	
Cc1nccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585139	EG	Annotated	Anodyne	
Cc1nccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585142	EG	Annotated	Anodyne	
Cc1nccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585143	EG	Annotated	Anodyne	
Cc1nccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585145	EG	Annotated	Anodyne	
CCc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585194	EG	Annotated	Anodyne	
CCc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585196	EG	Annotated	Anodyne	
CCc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585197	EG	Annotated	Anodyne	
CCc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585198	EG	Annotated	Anodyne	
Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585207	EG	Annotated	Anodyne	
Cc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585209	EG	Annotated	Anodyne	
Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585211	EG	Annotated	Anodyne	
Cc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585212	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587585271	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587585275	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587585276	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587585278	EG	Annotated	Anodyne	
COc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587585306	EG	Annotated	Anodyne	
COc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587585307	EG	Annotated	Anodyne	
COc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587585308	EG	Annotated	Anodyne	
COc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587585309	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCn1cccc12	ZINC000587585336	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCn1cccc12	ZINC000587585337	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCn1cccc12	ZINC000587585338	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCn1cccc12	ZINC000587585339	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1O	ZINC000587585344	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1O	ZINC000587585345	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1O	ZINC000587585346	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1O	ZINC000587585347	EG	Annotated	Anodyne	
C[C@@]1(c2cncnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585416	EG	Annotated	Anodyne	
C[C@@]1(c2cncnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585419	EG	Annotated	Anodyne	
C[C@]1(c2cncnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585421	EG	Annotated	Anodyne	
C[C@]1(c2cncnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585422	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1O	ZINC000587585425	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1O	ZINC000587585427	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1O	ZINC000587585428	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1O	ZINC000587585430	EG	Annotated	Anodyne	
COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585457	EG	Annotated	Anodyne	
COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585458	EG	Annotated	Anodyne	
COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585460	EG	Annotated	Anodyne	
COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585462	EG	Annotated	Anodyne	
COc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585497	EG	Annotated	Anodyne	
COc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585498	EG	Annotated	Anodyne	
COc1cccnc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585500	EG	Annotated	Anodyne	
COc1cccnc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585501	EG	Annotated	Anodyne	
C[C@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585502	EG	Annotated	Anodyne	
C[C@@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585503	EG	Annotated	Anodyne	
C[C@@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585504	EG	Annotated	Anodyne	
C[C@]1(c2ccnc(O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585505	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(O)c1	ZINC000587585559	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(O)c1	ZINC000587585560	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(O)c1	ZINC000587585561	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(O)c1	ZINC000587585562	EG	Annotated	Anodyne	
COc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585569	EG	Annotated	Anodyne	
COc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585570	EG	Annotated	Anodyne	
COc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585571	EG	Annotated	Anodyne	
COc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585572	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587585625	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587585626	EG	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587585627	EG	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587585628	EG	Annotated	Anodyne	
COc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585699	EG	Annotated	Anodyne	
COc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585700	EG	Annotated	Anodyne	
COc1ccncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585701	EG	Annotated	Anodyne	
COc1ccncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585702	EG	Annotated	Anodyne	
C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585785	EG	Annotated	Anodyne	
C[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585786	EG	Annotated	Anodyne	
C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587585787	EG	Annotated	Anodyne	
C[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587585788	EG	Annotated	Anodyne	
Cc1nccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585903	EG	Annotated	Anodyne	
Cc1nccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587585904	EG	Annotated	Anodyne	
Cc1nccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585905	EG	Annotated	Anodyne	
Cc1nccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587585906	EG	Annotated	Anodyne	
N#CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586013	EG	Annotated	Mild	
N#CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586017	EG	Annotated	Mild	
N#CC[C@@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586018	EG	Annotated	Mild	
N#CC[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586020	EG	Annotated	Mild	
N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587586525	EG	Annotated	Mild	
N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587586527	EG	Annotated	Mild	
N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587586528	EG	Annotated	Mild	
N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587586531	EG	Annotated	Mild	
Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587586613	EG	Annotated	Anodyne	
Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1	ZINC000587586615	EG	Annotated	Anodyne	
Cc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587586617	EG	Annotated	Anodyne	
Cc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1	ZINC000587586618	EG	Annotated	Anodyne	
Cc1n[nH]c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586788	EG	Annotated	Anodyne	
Cc1n[nH]c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586793	EG	Annotated	Anodyne	
Cc1n[nH]c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586794	EG	Annotated	Anodyne	
Cc1n[nH]c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586796	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587586935	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587586936	EG	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587586937	EG	Annotated	Anodyne	
Cc1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587586938	EG	Annotated	Anodyne	
C[C@@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586955	EG	Annotated	Anodyne	
C[C@@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586956	EG	Annotated	Anodyne	
C[C@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586957	EG	Annotated	Anodyne	
C[C@]1(c2ccnnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586958	EG	Annotated	Anodyne	
C[C@]1(c2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586975	EG	Annotated	Anodyne	
C[C@@]1(c2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587586976	EG	Annotated	Anodyne	
C[C@@]1(c2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586977	EG	Annotated	Anodyne	
C[C@]1(c2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587586978	EG	Annotated	Anodyne	
COc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587311	EG	Annotated	Anodyne	
COc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587312	EG	Annotated	Anodyne	
COc1cnccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587314	EG	Annotated	Anodyne	
COc1cnccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587315	EG	Annotated	Anodyne	
Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C	ZINC000587587356	EG	Annotated	Anodyne	
Cc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C	ZINC000587587357	EG	Annotated	Anodyne	
Cc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C	ZINC000587587358	EG	Annotated	Anodyne	
Cc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C	ZINC000587587359	EG	Annotated	Anodyne	
C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587587417	EG	Annotated	Mild	
C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587587418	EG	Annotated	Mild	
C#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587587419	EG	Annotated	Mild	
C#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587587420	EG	Annotated	Mild	
Cc1ncncc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587607	EG	Annotated	Anodyne	
Cc1ncncc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587609	EG	Annotated	Anodyne	
Cc1ncncc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587610	EG	Annotated	Anodyne	
Cc1ncncc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587612	EG	Annotated	Anodyne	
C[C@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587647	EG	Annotated	Anodyne	
C[C@@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587587649	EG	Annotated	Anodyne	
C[C@@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587651	EG	Annotated	Anodyne	
C[C@]1(Cc2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587587653	EG	Annotated	Anodyne	
Cc1nccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587588076	EG	Annotated	Anodyne	
Cc1nccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587588078	EG	Annotated	Anodyne	
Cc1nccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587588079	EG	Annotated	Anodyne	
Cc1nccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587588081	EG	Annotated	Anodyne	
C[C@@]1(c2cccnn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587588082	EG	Annotated	Anodyne	
C[C@@]1(c2cccnn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587588084	EG	Annotated	Anodyne	
C[C@]1(c2cccnn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587588085	EG	Annotated	Anodyne	
C[C@]1(c2cccnn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587588087	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587588186	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587588188	EG	Annotated	Anodyne	
COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587588190	EG	Annotated	Anodyne	
COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587588191	EG	Annotated	Anodyne	
C[C@@]1(c2ccncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587588265	EG	Annotated	Anodyne	
C[C@@]1(c2ccncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587588266	EG	Annotated	Anodyne	
C[C@]1(c2ccncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587588267	EG	Annotated	Anodyne	
C[C@]1(c2ccncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587588268	EG	Annotated	Anodyne	
O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587588412	EG	Annotated	Anodyne	
O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587588413	EG	Annotated	Anodyne	
O=Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587588414	EG	Annotated	Anodyne	
O=Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587588415	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCn1cncc12	ZINC000587588442	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCn1cncc12	ZINC000587588444	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCn1cncc12	ZINC000587588446	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCn1cncc12	ZINC000587588447	EG	Annotated	Anodyne	
N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1	ZINC000587588726	EG	Annotated	Mild	
N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1	ZINC000587588729	EG	Annotated	Mild	
N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1	ZINC000587588730	EG	Annotated	Mild	
N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1	ZINC000587588731	EG	Annotated	Mild	
N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587588747	EG	Annotated	Mild	
N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	ZINC000587588749	EG	Annotated	Mild	
N#Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587588752	EG	Annotated	Mild	
N#Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	ZINC000587588753	EG	Annotated	Mild	
N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587588830	EG	Annotated	Mild	
N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1	ZINC000587588831	EG	Annotated	Mild	
N#Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587588832	EG	Annotated	Mild	
N#Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1	ZINC000587588833	EG	Annotated	Mild	
Cc1n[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587588985	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587588989	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587588991	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587588993	EG	Annotated	Anodyne	
Cc1nccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587589124	EG	Annotated	Anodyne	
Cc1nccnc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587589126	EG	Annotated	Anodyne	
Cc1nccnc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587589127	EG	Annotated	Anodyne	
Cc1nccnc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587589129	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)nc1	ZINC000587589147	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)nc1	ZINC000587589149	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)nc1	ZINC000587589151	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)nc1	ZINC000587589153	EG	Annotated	Anodyne	
Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1	ZINC000587589251	EG	Annotated	Anodyne	
Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ncn1	ZINC000587589252	EG	Annotated	Anodyne	
Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1	ZINC000587589253	EG	Annotated	Anodyne	
Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ncn1	ZINC000587589254	EG	Annotated	Anodyne	
Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1	ZINC000587589302	EG	Annotated	Anodyne	
Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]1	ZINC000587589304	EG	Annotated	Anodyne	
Cc1cnc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1	ZINC000587589306	EG	Annotated	Anodyne	
Cc1cnc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]1	ZINC000587589307	EG	Annotated	Anodyne	
CC[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587589389	EG	Annotated	Anodyne	
CC[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587589391	EG	Annotated	Anodyne	
CC[C@@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587589393	EG	Annotated	Anodyne	
CC[C@]1(c2cnccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587589395	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(O)c1	ZINC000587589423	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(O)c1	ZINC000587589424	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(O)c1	ZINC000587589426	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(O)c1	ZINC000587589427	EG	Annotated	Anodyne	
N#Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587589543	EG	Annotated	Mild	
N#Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587589544	EG	Annotated	Mild	
N#Cc1cncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587589545	EG	Annotated	Mild	
N#Cc1cncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587589546	EG	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cn1	ZINC000587589661	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(O)cn1	ZINC000587589662	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cn1	ZINC000587589663	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)cn1	ZINC000587589664	EG	Annotated	Anodyne	
C[C@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590021	EG	Annotated	Anodyne	
C[C@@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590023	EG	Annotated	Anodyne	
C[C@@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590024	EG	Annotated	Anodyne	
C[C@]1(Cc2ncccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590026	EG	Annotated	Anodyne	
COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587590153	EG	Annotated	Anodyne	
COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	ZINC000587590155	EG	Annotated	Anodyne	
COc1ccnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587590158	EG	Annotated	Anodyne	
COc1ccnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	ZINC000587590160	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1O	ZINC000587590238	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1O	ZINC000587590243	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1O	ZINC000587590427	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1O	ZINC000587590428	EG	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1	ZINC000587590509	EG	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccn1	ZINC000587590511	EG	Annotated	Anodyne	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1	ZINC000587590513	EG	Annotated	Anodyne	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccn1	ZINC000587590515	EG	Annotated	Anodyne	
C[C@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590880	EG	Annotated	Anodyne	
C[C@@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587590881	EG	Annotated	Anodyne	
C[C@@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590882	EG	Annotated	Anodyne	
C[C@]1(c2ccc(O)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587590883	EG	Annotated	Anodyne	
COC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591153	EG	Annotated	Anodyne	
COC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591168	EG	Annotated	Anodyne	
COC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591169	EG	Annotated	Anodyne	
COC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591171	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591345	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591377	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591379	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591381	EG	Annotated	Anodyne	
COCC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591799	EG	Annotated	Anodyne	
COCC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591801	EG	Annotated	Anodyne	
COCC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587591803	EG	Annotated	Anodyne	
COCC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587591806	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1	ZINC000587591936	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)N1	ZINC000587591939	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CC[C@H]2N1	ZINC000587592857	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1CC[C@H]2N1	ZINC000587592858	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]1CC[C@H]2N1	ZINC000587592859	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1CC[C@H]2N1	ZINC000587592860	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COCc1[nH]ccc12	ZINC000587592959	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COCc1[nH]ccc12	ZINC000587592962	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COCc1[nH]ccc12	ZINC000587592964	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COCc1[nH]ccc12	ZINC000587592967	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587593275	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587593277	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587593279	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587593280	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587593645	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587593646	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587593649	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587593650	EG	Annotated	Anodyne	
COC(C)(OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594122	EG	Annotated	Anodyne	
COC(C)(OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594124	EG	Annotated	Anodyne	
COC(C)(OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594126	EG	Annotated	Anodyne	
COC(C)(OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594128	EG	Annotated	Anodyne	
COC(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC	ZINC000587594441	EG	Annotated	Anodyne	
COC(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC	ZINC000587594442	EG	Annotated	Anodyne	
COC(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC	ZINC000587594443	EG	Annotated	Anodyne	
COC(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC	ZINC000587594445	EG	Annotated	Anodyne	
COC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594660	EG	Annotated	Anodyne	
COC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594661	EG	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587594663	EG	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587594665	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1n[nH]cc12	ZINC000587595144	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1n[nH]cc12	ZINC000587595145	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1n[nH]cc12	ZINC000587595146	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1n[nH]cc12	ZINC000587595147	EG	Annotated	Anodyne	
CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1	ZINC000587595339	EG	Annotated	Anodyne	
CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1	ZINC000587595345	EG	Annotated	Anodyne	
CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1	ZINC000587595347	EG	Annotated	Anodyne	
CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1	ZINC000587595349	EG	Annotated	Anodyne	
CC[C@@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595891	EG	Annotated	Anodyne	
CC[C@@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595892	EG	Annotated	Anodyne	
CC[C@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587595893	EG	Annotated	Anodyne	
CC[C@]1(c2cn[nH]c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587595894	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597092	EG	Annotated	Anodyne	
C[C@@H]1CC2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597094	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597097	EG	Annotated	Anodyne	
C[C@@H]1CC2(C[C@@H](C)N1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597101	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587597243	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587597244	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587597245	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587597246	EG	Annotated	Anodyne	
CC1(C)CNCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597474	EG	Annotated	Anodyne	
CC1(C)CNCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587597475	EG	Annotated	Anodyne	
CC1(C)CNCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597476	EG	Annotated	Anodyne	
CC1(C)CNCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587597477	EG	Annotated	Anodyne	
COC[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587597796	EG	Annotated	Anodyne	
COC[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587597798	EG	Annotated	Anodyne	
COC[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587597800	EG	Annotated	Anodyne	
COC[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587597803	EG	Annotated	Anodyne	
COC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587597818	EG	Annotated	Anodyne	
COC[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587597819	EG	Annotated	Anodyne	
COC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587597821	EG	Annotated	Anodyne	
COC[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587597823	EG	Annotated	Anodyne	
CCN1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587598199	EG	Annotated	Anodyne	
CCN1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587598200	EG	Annotated	Anodyne	
CCN1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587598201	EG	Annotated	Anodyne	
CCN1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587598202	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c[nH]nc12	ZINC000587598375	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c[nH]nc12	ZINC000587598378	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c[nH]nc12	ZINC000587598379	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c[nH]nc12	ZINC000587598381	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598400	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587598404	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598407	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587598408	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599707	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599708	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599709	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599710	EG	Annotated	Anodyne	
CC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599987	EG	Annotated	Anodyne	
CC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599988	EG	Annotated	Anodyne	
CC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587599989	EG	Annotated	Anodyne	
CC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587599990	EG	Annotated	Anodyne	
C=CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587600167	EG	Annotated	Mild	
C=CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587600168	EG	Annotated	Mild	
C=CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587600169	EG	Annotated	Mild	
C=CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587600170	EG	Annotated	Mild	
C[C@H]1C[C@@H](C)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587600423	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](C)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587600424	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](C)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587600425	EG	Annotated	Anodyne	
C[C@H]1C[C@@H](C)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587600426	EG	Annotated	Anodyne	
C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O	ZINC000587600455	EG	Annotated	Anodyne	
C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O	ZINC000587600456	EG	Annotated	Anodyne	
C[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O	ZINC000587600457	EG	Annotated	Anodyne	
C[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O	ZINC000587600458	EG	Annotated	Anodyne	
C[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600592	EG	Annotated	Mild	
C[C@@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600593	EG	Annotated	Mild	
C[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600595	EG	Annotated	Mild	
C[C@]1(CCCC=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600597	EG	Annotated	Mild	
CCC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600647	EG	Annotated	Anodyne	
CCC(=O)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600648	EG	Annotated	Anodyne	
CCC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600650	EG	Annotated	Anodyne	
CCC(=O)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600651	EG	Annotated	Anodyne	
CCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600893	EG	Annotated	Anodyne	
CCCC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600895	EG	Annotated	Anodyne	
CCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587600896	EG	Annotated	Anodyne	
CCCC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587600898	EG	Annotated	Anodyne	
CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587601086	EG	Annotated	Anodyne	
CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587601087	EG	Annotated	Anodyne	
CCO[C@@H]1CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587601088	EG	Annotated	Anodyne	
CCO[C@@H]1CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587601089	EG	Annotated	Anodyne	
C[C@H]1[C@H](C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587601373	EG	Annotated	Anodyne	
C[C@H]1[C@H](C)CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587601374	EG	Annotated	Anodyne	
C[C@@H]1CC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1C	ZINC000587601375	EG	Annotated	Anodyne	
C[C@@H]1CC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1C	ZINC000587601376	EG	Annotated	Anodyne	
O=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601478	EG	Annotated	Mild	
O=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601479	EG	Annotated	Mild	
O=C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601480	EG	Annotated	Mild	
O=C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601481	EG	Annotated	Mild	
CC[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O	ZINC000587601651	EG	Annotated	Anodyne	
CC[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O	ZINC000587601652	EG	Annotated	Anodyne	
CC[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O	ZINC000587601653	EG	Annotated	Anodyne	
CC[C@@H]1CC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O	ZINC000587601654	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O	ZINC000587601706	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O	ZINC000587601707	EG	Annotated	Anodyne	
CC(=O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601786	EG	Annotated	Anodyne	
CC(=O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601787	EG	Annotated	Anodyne	
CC(=O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601788	EG	Annotated	Anodyne	
CC(=O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601789	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O	ZINC000587601812	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O	ZINC000587601814	EG	Annotated	Anodyne	
C[C@H](CC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601948	EG	Annotated	Anodyne	
C[C@H](CC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601950	EG	Annotated	Anodyne	
C[C@H](CC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587601951	EG	Annotated	Anodyne	
C[C@H](CC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587601952	EG	Annotated	Anodyne	
CCOC1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587602434	EG	Annotated	Anodyne	
CCOC1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587602435	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1COC1CCC1	ZINC000587602527	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1COC1CCC1	ZINC000587602528	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1COC1CCC1	ZINC000587602529	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1COC1CCC1	ZINC000587602530	EG	Annotated	Anodyne	
CC[C@H](C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602662	EG	Annotated	Anodyne	
CC[C@H](C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602664	EG	Annotated	Anodyne	
CC[C@H](C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587602665	EG	Annotated	Anodyne	
CC[C@H](C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587602667	EG	Annotated	Anodyne	
CC[C@@H]1CCC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587603285	EG	Annotated	Anodyne	
CC[C@@H]1CCC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587603287	EG	Annotated	Anodyne	
CC[C@@H]1CCC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587603289	EG	Annotated	Anodyne	
CC[C@@H]1CCC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587603290	EG	Annotated	Anodyne	
C[C@@H]1CCCC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587603938	EG	Annotated	Anodyne	
C[C@@H]1CCCC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587603939	EG	Annotated	Anodyne	
C[C@@H]1CCCC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587603940	EG	Annotated	Anodyne	
C[C@@H]1CCCC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587603941	EG	Annotated	Anodyne	
CC(C)(C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604252	EG	Annotated	Anodyne	
CC(C)(C)[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587604254	EG	Annotated	Anodyne	
CC(C)(C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604256	EG	Annotated	Anodyne	
CC(C)(C)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587604258	EG	Annotated	Anodyne	
C[C@@H]1C(=O)[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587604324	EG	Annotated	Anodyne	
C[C@@H]1C(=O)[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587604325	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@@H]1C	ZINC000587604326	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1C	ZINC000587604327	EG	Annotated	Anodyne	
O=C1C[C@@H]2C[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604484	EG	Annotated	Anodyne	
O=C1C[C@@H]2C[C@H]1C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587604485	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H]2CC1=O	ZINC000587604486	EG	Annotated	Anodyne	
O=C1C[C@H]2C[C@@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604487	EG	Annotated	Anodyne	
O=C1C[C@H]2C[C@@H]1C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604488	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H]1C[C@@H]2CC1=O	ZINC000587604489	EG	Annotated	Anodyne	
O=C1C[C@@H]2C[C@H]1C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587604490	EG	Annotated	Anodyne	
O=C1C[C@@H]2C[C@H]1C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604491	EG	Annotated	Anodyne	
CCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604871	EG	Annotated	Anodyne	
CCC[C@@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587604872	EG	Annotated	Anodyne	
CCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587604873	EG	Annotated	Anodyne	
CCC[C@]1(C(C)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587604874	EG	Annotated	Anodyne	
CC(C)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605004	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605005	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605006	EG	Annotated	Anodyne	
CC(C)C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605007	EG	Annotated	Anodyne	
C[C@@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605022	EG	Annotated	Anodyne	
C[C@@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605023	EG	Annotated	Anodyne	
C[C@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605024	EG	Annotated	Anodyne	
C[C@]1(CCCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605025	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=CC=CC2=O	ZINC000587605124	EG	Annotated	Mild	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=CC=CC2=O	ZINC000587605129	EG	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=CC=CC2=O	ZINC000587605130	EG	Annotated	Mild	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=CC=CC2=O	ZINC000587605131	EG	Annotated	Mild	
CC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605144	EG	Annotated	Anodyne	
CC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605145	EG	Annotated	Anodyne	
CC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587605147	EG	Annotated	Anodyne	
CC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587605149	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)O1	ZINC000587605741	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@@H]1CC[C@H](C2)O1	ZINC000587605744	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587605863	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587605864	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587605865	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587605866	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587605867	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587605868	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587605869	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587605870	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CC[C@@H]1O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587606737	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CC[C@H]1O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587606738	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CC[C@@H]1O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587606739	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CC[C@H]1O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587606740	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](CO)C2	ZINC000587607039	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](CO)C2	ZINC000587607040	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](CO)C2	ZINC000587607041	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](CO)C2	ZINC000587607042	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOCC2	ZINC000587607105	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOCC2	ZINC000587607106	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOCC2	ZINC000587607107	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOCC2	ZINC000587607108	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCOCC1	ZINC000587608114	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCOCC1	ZINC000587608115	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCOCC1	ZINC000587608116	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCOCC1	ZINC000587608117	EG	Annotated	Anodyne	
C[C@@]1(CCCCO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587608250	EG	Annotated	Anodyne	
C[C@@]1(CCCCO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587608251	EG	Annotated	Anodyne	
C[C@]1(CCCCO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587608252	EG	Annotated	Anodyne	
C[C@]1(CCCCO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587608253	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1OCCC[C@H]12	ZINC000587608401	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H]1OCCC[C@@H]12	ZINC000587608402	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1OCCC[C@H]12	ZINC000587608403	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1OCCC[C@@H]12	ZINC000587608404	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C[C@H]1C=C[C@@H](C2)O1	ZINC000587608602	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C[C@H]1C=C[C@@H](C2)O1	ZINC000587608605	EG	Annotated	Anodyne	
C[C@@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587609106	EG	Annotated	Anodyne	
C[C@@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587609111	EG	Annotated	Anodyne	
C[C@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587609112	EG	Annotated	Anodyne	
C[C@]1(C2=COCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587609113	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(CO)CC2	ZINC000587609240	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(CO)CC2	ZINC000587609241	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccccc1	ZINC000587610025	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccccc1	ZINC000587610026	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccccc1	ZINC000587610028	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccccc1	ZINC000587610029	EG	Annotated	Anodyne	
C[C@@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610249	EG	Annotated	Anodyne	
C[C@@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610251	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610255	EG	Annotated	Anodyne	
C[C@@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610258	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610261	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610264	EG	Annotated	Anodyne	
C[C@@]1([C@H]2CCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587610265	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587610269	EG	Annotated	Anodyne	
C[C@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611357	EG	Annotated	Anodyne	
C[C@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611359	EG	Annotated	Anodyne	
C[C@@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587611361	EG	Annotated	Anodyne	
C[C@@]1(C2(O)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587611363	EG	Annotated	Anodyne	
C[C@@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612850	EG	Annotated	Anodyne	
C[C@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612851	EG	Annotated	Anodyne	
C[C@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612852	EG	Annotated	Anodyne	
C[C@@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612853	EG	Annotated	Anodyne	
C[C@@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612854	EG	Annotated	Anodyne	
C[C@@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587612855	EG	Annotated	Anodyne	
C[C@H](O)CCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612856	EG	Annotated	Anodyne	
C[C@H](O)CCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587612857	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(O)CC2	ZINC000587613297	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(O)CC2	ZINC000587613298	EG	Annotated	Anodyne	
C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]1O2	ZINC000587613431	EG	Annotated	Anodyne	
C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]1O2	ZINC000587613432	EG	Annotated	Anodyne	
C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]1O2	ZINC000587613433	EG	Annotated	Anodyne	
C[C@]12CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]1O2	ZINC000587613435	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCOC1	ZINC000587615802	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCOC1	ZINC000587615803	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCOC1	ZINC000587615804	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCOC1	ZINC000587615805	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587616407	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587616408	EG	Annotated	Anodyne	
C[C@]1([C@@H]2CCOC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587616409	EG	Annotated	Anodyne	
C[C@]1([C@H]2CCOC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587616410	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)s1	ZINC000587616794	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)s1	ZINC000587616795	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)s1	ZINC000587616796	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)s1	ZINC000587616797	EG	Annotated	Anodyne	
C[C@@]1(CC2COC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587616833	EG	Annotated	Anodyne	
C[C@@]1(CC2COC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587616834	EG	Annotated	Anodyne	
C[C@]1(CC2COC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587616835	EG	Annotated	Anodyne	
C[C@]1(CC2COC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587616836	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587617073	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587617074	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587617075	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587617076	EG	Annotated	Anodyne	
CC1(C)O[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587617077	EG	Annotated	Anodyne	
CC1(C)O[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587617078	EG	Annotated	Anodyne	
CC1(C)O[C@@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587617079	EG	Annotated	Anodyne	
CC1(C)O[C@@H]1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587617080	EG	Annotated	Anodyne	
Cc1nnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1	ZINC000587617134	EG	Annotated	Anodyne	
Cc1nnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1	ZINC000587617138	EG	Annotated	Anodyne	
Cc1nnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1	ZINC000587617139	EG	Annotated	Anodyne	
Cc1nnc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1	ZINC000587617140	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCSC1	ZINC000587617141	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCSC1	ZINC000587617142	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCSC1	ZINC000587617144	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCSC1	ZINC000587617146	EG	Annotated	Anodyne	
CC1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1	ZINC000587617415	EG	Annotated	Anodyne	
CC1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1	ZINC000587617416	EG	Annotated	Anodyne	
CC1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1	ZINC000587617418	EG	Annotated	Anodyne	
CC1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1	ZINC000587617419	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)o1	ZINC000587617465	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(CO)o1	ZINC000587617466	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)o1	ZINC000587617467	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(CO)o1	ZINC000587617468	EG	Annotated	Anodyne	
C[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587618338	EG	Annotated	Anodyne	
C[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587618339	EG	Annotated	Anodyne	
C[C@@H]1CSC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1	ZINC000587618340	EG	Annotated	Anodyne	
C[C@@H]1CSC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1	ZINC000587618341	EG	Annotated	Anodyne	
C[C@@]1(c2cnns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587619146	EG	Annotated	Anodyne	
C[C@]1(c2cnns2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587619147	EG	Annotated	Anodyne	
C[C@]1(c2cnns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587619148	EG	Annotated	Anodyne	
C[C@@]1(c2cnns2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587619149	EG	Annotated	Anodyne	
CCC1([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1	ZINC000587619358	EG	Annotated	Anodyne	
CCC1([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1	ZINC000587619360	EG	Annotated	Anodyne	
CCC1([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)COC1	ZINC000587619362	EG	Annotated	Anodyne	
CCC1([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)COC1	ZINC000587619364	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCCO1	ZINC000587619550	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCCO1	ZINC000587619552	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCCO1	ZINC000587619553	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCCO1	ZINC000587619554	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@H]1CCOC1	ZINC000587619719	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@H]1CCOC1	ZINC000587619720	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H]1CCOC1	ZINC000587619721	EG	Annotated	Anodyne	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H]1CCOC1	ZINC000587619722	EG	Annotated	Anodyne	
C[C@@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620538	EG	Annotated	Anodyne	
C[C@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620539	EG	Annotated	Anodyne	
C[C@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620540	EG	Annotated	Anodyne	
C[C@@]1(C2=NCCS2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620543	EG	Annotated	Anodyne	
Cc1nnsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620629	EG	Annotated	Anodyne	
Cc1nnsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620631	EG	Annotated	Anodyne	
Cc1nnsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	ZINC000587620633	EG	Annotated	Anodyne	
Cc1nnsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	ZINC000587620635	EG	Annotated	Anodyne	
CC(=O)Oc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621059	EG	Annotated	Reactive	
COC(=O)c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587621689	EG	Annotated	Reactive	
COC(=O)[C@@H](F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C	ZINC000587622968	EG	Annotated	Anodyne	
COC(=O)[C@H](F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C	ZINC000587622970	EG	Annotated	Anodyne	
CC(=O)NC(C)(C)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623064	EG	Annotated	Anodyne	
Brc1cc2n[nH]cc2c2[nH]c(C3CC3)c(-n3cncn3)c12	ZINC000587623218	EG	Annotated	Anodyne	
CC(=O)N(C(C)=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623296	EG	Annotated	Anodyne	
N#Cc1c([C@@H]2CCOC2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623298	EG	Annotated	Mild	
N#Cc1c([C@H]2CCOC2)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623303	EG	Annotated	Mild	
COc1c(-c2ccnn2C)[nH]c2c1c(Br)cc1n[nH]cc12	ZINC000587623368	EG	Annotated	Anodyne	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cn1cccn1	ZINC000587623383	EG	Annotated	Anodyne	
Cc1noc(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1	ZINC000587623510	EG	Annotated	Anodyne	
Cn1ccnc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C#N	ZINC000587623534	EG	Annotated	Mild	
Cc1cc(Cl)cc2c(S(=O)(=O)N(C)C)c(C(F)(F)F)[nH]c12	ZINC000587624485	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2c(C)cc(Cl)cc12	ZINC000587625126	EG	Annotated	Anodyne	
NCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)O	ZINC000587625800	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2c(C)cc(Cl)cc12	ZINC000587625978	EG	Annotated	Anodyne	
CCn1nccc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(=O)OC	ZINC000587626021	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(C)on1	ZINC000587626175	EG	Annotated	Anodyne	
CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(=O)OC)cn1	ZINC000587626867	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cnn(C)c1C	ZINC000587626949	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2c([C@H](N)C(=O)O)c(-c3cccc(O)c3N)[nH]c12	ZINC000587627217	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2c([C@@H](N)C(=O)O)c(-c3cccc(O)c3N)[nH]c12	ZINC000587627221	EG	Annotated	Anodyne	
CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2c(C)cc(Cl)cc12	ZINC000587627232	EG	Annotated	Anodyne	
CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3c(C)cc(Cl)cc23)n1	ZINC000587627248	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2c(C)cc(Cl)cc12	ZINC000587627297	EG	Annotated	Anodyne	
CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3c(C)cc(Cl)cc23)cn1	ZINC000587627379	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cn(C)nc1C	ZINC000587627397	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2c(N3CCOCC3)c(-c3cnn(C)c3)[nH]c12	ZINC000587627434	EG	Annotated	Anodyne	
CCn1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(=O)OC)n1	ZINC000587627501	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2c([C@H](N)C(=O)O)c(-c3ccccc3N)[nH]c12	ZINC000587627512	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2c([C@@H](N)C(=O)O)c(-c3ccccc3N)[nH]c12	ZINC000587627513	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12	ZINC000587630040	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12	ZINC000587630051	EG	Annotated	Anodyne	
Nc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1[C@H](N)C(=O)O	ZINC000587631147	EG	Annotated	Anodyne	
Nc1ccccc1-c1[nH]c2ccc(F)c(Cl)c2c1[C@@H](N)C(=O)O	ZINC000587631150	EG	Annotated	Anodyne	
CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3cc(Cl)c(F)cc23)cn1	ZINC000587631365	EG	Annotated	Anodyne	
CCn1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(=O)OC)n1	ZINC000587631388	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cn(C)nc1C	ZINC000587631515	EG	Annotated	Anodyne	
CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(=O)OC)cn1	ZINC000587631518	EG	Annotated	Anodyne	
CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2cc(Cl)c(F)cc12	ZINC000587631528	EG	Annotated	Anodyne	
CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2ccc(F)c(Cl)c12	ZINC000587631550	EG	Annotated	Anodyne	
Nc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1[C@H](N)C(=O)O	ZINC000587631616	EG	Annotated	Anodyne	
Nc1ccccc1-c1[nH]c2cc(Cl)c(F)cc2c1[C@@H](N)C(=O)O	ZINC000587631617	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2ccc(F)c(Cl)c12	ZINC000587631665	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cnn(C)c1C	ZINC000587631728	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cn(C)nc1C	ZINC000587631729	EG	Annotated	Anodyne	
CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3ccc(F)c(Cl)c23)n1	ZINC000587631914	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2cc(Cl)c(F)cc12	ZINC000587631918	EG	Annotated	Anodyne	
CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3ccc(F)c(Cl)c23)cn1	ZINC000587631962	EG	Annotated	Anodyne	
CCn1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(=O)OC)n1	ZINC000587631964	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12	ZINC000587632012	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccnc1	ZINC000587632064	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cnn(C)c1C	ZINC000587632124	EG	Annotated	Anodyne	
CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(=O)OC)cn1	ZINC000587632173	EG	Annotated	Anodyne	
Cn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCOCC2)cn1	ZINC000587632176	EG	Annotated	Anodyne	
Cn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCOCC2)cn1	ZINC000587632196	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2ccc(F)c(Cl)c12	ZINC000587632203	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccncc1	ZINC000587632233	EG	Annotated	Anodyne	
CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3cc(Cl)c(F)cc23)n1	ZINC000587632316	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cn(C)nc2C)[nH]c2ccc(F)c(Cl)c12	ZINC000587632352	EG	Annotated	Anodyne	
CCn1nccc1-c1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(=O)OC	ZINC000587632405	EG	Annotated	Anodyne	
CCn1nccc1-c1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(=O)OC	ZINC000587632415	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cnn(C)c2C)[nH]c2cc(Cl)c(F)cc12	ZINC000587632508	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12	ZINC000587632608	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(C)on1	ZINC000587632794	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(C)on1	ZINC000587632978	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2cc(Cl)c(F)cc12	ZINC000587633053	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccnc1	ZINC000587633142	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccncc1	ZINC000587633176	EG	Annotated	Anodyne	
Cc1[nH]c2cc(F)ccc2c1[C@](O)(c1nccn1C)C(F)(F)F	ZINC000587633648	EG	Annotated	Anodyne	
Cc1[nH]c2cc(F)ccc2c1[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000587633656	EG	Annotated	Anodyne	
Cc1[nH]c2cccc(F)c2c1[C@](O)(c1nccn1C)C(F)(F)F	ZINC000587633854	EG	Annotated	Anodyne	
Cc1[nH]c2cccc(F)c2c1[C@@](O)(c1nccn1C)C(F)(F)F	ZINC000587633855	EG	Annotated	Anodyne	
COC(=O)Cc1[nH]c2cccc(F)c2c1CNC(=O)OC(C)(C)C	ZINC000587634619	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2cccc(F)c12	ZINC000587634735	EG	Annotated	Anodyne	
CC(=O)Nc1ccc(O)c(-c2[nH]c3cc(F)ccc3c2CC(=O)O)c1	ZINC000587634853	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2cc(F)ccc12	ZINC000587634861	EG	Annotated	Anodyne	
CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2cccc(F)c12	ZINC000587635105	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc(F)c12	ZINC000587635222	EG	Annotated	Bother	
COC(=O)Cc1[nH]c2cc(F)ccc2c1CNC(=O)OC(C)(C)C	ZINC000587635436	EG	Annotated	Anodyne	
CCn1ncc(-c2[nH]c3cccc(F)c3c2N2CCOCC2)c1C	ZINC000587635480	EG	Annotated	Anodyne	
Cc1nn(C)c(C)c1-c1[nH]c2cc(F)ccc2c1N1CCOCC1	ZINC000587635492	EG	Annotated	Anodyne	
CCn1ncc(-c2[nH]c3cc(F)ccc3c2N2CCOCC2)c1C	ZINC000587635516	EG	Annotated	Anodyne	
COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cc(F)ccc12	ZINC000587635608	EG	Annotated	Anodyne	
CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3cccc(F)c23)c1C	ZINC000587635688	EG	Annotated	Anodyne	
CCn1cc(-c2[nH]c3cc(F)ccc3c2N2CCOCC2)c(C)n1	ZINC000587635726	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000587635757	EG	Annotated	Bother	
COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2cccc(F)c12	ZINC000587635766	EG	Annotated	Anodyne	
Cc1nn(C)c(C)c1-c1[nH]c2cccc(F)c2c1N1CCOCC1	ZINC000587635850	EG	Annotated	Anodyne	
CC(=O)Nc1ccc(O)c(-c2[nH]c3cccc(F)c3c2CC(=O)O)c1	ZINC000587635987	EG	Annotated	Anodyne	
CCn1nc(C)c(-c2[nH]c3cccc(F)c3c2C(=O)C(=O)OC)c1C	ZINC000587636032	EG	Annotated	Anodyne	
COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(F)ccc12	ZINC000587636107	EG	Annotated	Bother	
CCn1cc(-c2[nH]c3cccc(F)c3c2N2CCOCC2)c(C)n1	ZINC000587636156	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1[N+](=O)[O-]	ZINC000587636369	EG	Annotated	Bother	
O=C(O)Cc1c(-c2cc(F)ccc2F)[nH]c2c(C(=O)O)cccc12	ZINC000587637041	EG	Annotated	Anodyne	
COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CC(=O)O)cc1F	ZINC000587637094	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccc1F	ZINC000587637203	EG	Annotated	Anodyne	
CCOC(=O)c1c([C@@H](C)Br)[nH]c2c(C(=O)O)cccc12	ZINC000587637269	EG	Annotated	Reactive	
CCOC(=O)c1c([C@H](C)Br)[nH]c2c(C(=O)O)cccc12	ZINC000587637270	EG	Annotated	Reactive	
Cc1nn(C)cc1-c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)F	ZINC000587637328	EG	Annotated	Anodyne	
COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12	ZINC000587637357	EG	Annotated	Anodyne	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cn1	ZINC000587637412	EG	Annotated	Anodyne	
CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C(=O)O)cccc12	ZINC000587637444	EG	Annotated	Bother	
Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)NCc1ccc(F)cc1	ZINC000587637577	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(F)cc2F)[nH]c2c(C(=O)O)cccc12	ZINC000587637595	EG	Annotated	Anodyne	
Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)Br	ZINC000587637650	EG	Annotated	Anodyne	
COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(F)cc1	ZINC000587637666	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2c(C(=O)O)cccc12	ZINC000587637681	EG	Annotated	Anodyne	
Cc1[nH]c2c(C(=O)O)cccc2c1-n1cc(C(F)(F)F)ccc1=O	ZINC000587637738	EG	Annotated	Anodyne	
COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1F	ZINC000587637748	EG	Annotated	Anodyne	
CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2c(C(=O)O)cccc12	ZINC000587637756	EG	Annotated	Anodyne	
Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587637887	EG	Annotated	Anodyne	
Cc1c(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cnn1C	ZINC000587637901	EG	Annotated	Anodyne	
Cc1c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)cnn1C	ZINC000587637903	EG	Annotated	Anodyne	
COC(=O)c1c(Cc2ccccc2F)[nH]c2c(C(=O)O)cccc12	ZINC000587637937	EG	Annotated	Anodyne	
CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2c(C(=O)O)cccc12	ZINC000587638028	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(F)c(F)c2)[nH]c2c(C(=O)O)cccc12	ZINC000587638053	EG	Annotated	Anodyne	
Cn1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)n1	ZINC000587638091	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCc1[nH]c2c(C(=O)O)cccc2c1CCC=O	ZINC000587638126	EG	Annotated	Mild	
Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(N(C)C)cc1	ZINC000587638139	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2cc(F)cc(F)c2)[nH]c2c(C(=O)O)cccc12	ZINC000587638270	EG	Annotated	Anodyne	
O=C(O)c1cccc2c(-n3cncn3)c(-c3ccc(F)cc3F)[nH]c12	ZINC000587638285	EG	Annotated	Anodyne	
CS(=O)(=O)c1c(-c2cccc(F)c2)[nH]c2c(C(=O)O)cccc12	ZINC000587638313	EG	Annotated	Anodyne	
CCOC(=O)CCc1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587638388	EG	Annotated	Anodyne	
COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12	ZINC000587638477	EG	Annotated	Anodyne	
CCn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)F)cn1	ZINC000587638485	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)N1CC[C@@H]1c1[nH]c2c(C(=O)O)cccc2c1C#N	ZINC000587638713	EG	Annotated	Mild	
CC(C)(C)OC(=O)N1CC[C@H]1c1[nH]c2c(C(=O)O)cccc2c1C#N	ZINC000587638714	EG	Annotated	Mild	
Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc2c(c1)OCO2	ZINC000587638741	EG	Annotated	Anodyne	
Cn1cc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cn1	ZINC000587638785	EG	Annotated	Anodyne	
O=C(O)c1cccc2c(-n3nnc4ccccc43)c(CCl)[nH]c12	ZINC000587639088	EG	Annotated	Reactive	
CCn1cc(Cl)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)OC)n1	ZINC000587639128	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2c(C(=O)O)cccc12	ZINC000587639145	EG	Annotated	Anodyne	
Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2Cn2cncn2)cc1	ZINC000587639321	EG	Annotated	Anodyne	
N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2c(C(=O)O)cccc12	ZINC000587639323	EG	Annotated	Mild	
CC(C)(C)OC(=O)N1CC(c2[nH]c3c(C(=O)O)cccc3c2C#N)C1	ZINC000587639394	EG	Annotated	Mild	
CCOC(=O)CCc1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12	ZINC000587639397	EG	Annotated	Anodyne	
COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2Cn2cncn2)cc1	ZINC000587639484	EG	Annotated	Anodyne	
O=C(O)c1cccc2c(-n3cccnc3=O)c(-c3ccccc3)[nH]c12	ZINC000587639498	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)ON3C(=O)CCC3=O)c2c1	ZINC000587640469	EG	Annotated	Mild	
CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)ON3C(=O)CCC3=O)c2c1	ZINC000587640473	EG	Annotated	Mild	
CC[C@@H](C)c1ccc2[nH]c(-c3ccn(C)n3)c(C(=O)C(=O)OC)c2c1	ZINC000587640557	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(-c3ccn(C)n3)c(C(=O)C(=O)OC)c2c1	ZINC000587640563	EG	Annotated	Anodyne	
CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccn(C)n3)c2c1	ZINC000587640942	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccn(C)n3)c2c1	ZINC000587640949	EG	Annotated	Anodyne	
CC[C@@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)C(=O)OC)c2c1	ZINC000587641060	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(-c3ccnn3C)c(C(=O)C(=O)OC)c2c1	ZINC000587641061	EG	Annotated	Anodyne	
CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(C)c3)c2c1	ZINC000587641076	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cnn(C)c3)c2c1	ZINC000587641077	EG	Annotated	Anodyne	
CC[C@@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)C(=O)OC)c2c1	ZINC000587641093	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(-c3cnn(C)c3)c(C(=O)C(=O)OC)c2c1	ZINC000587641094	EG	Annotated	Anodyne	
CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccnn3C)c2c1	ZINC000587642528	EG	Annotated	Anodyne	
CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccnn3C)c2c1	ZINC000587642529	EG	Annotated	Anodyne	
O=C(O)Cc1c(-c2ccc(Cl)cn2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587644670	EG	Annotated	Bother	
Cn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cn1	ZINC000587644721	EG	Annotated	Bother	
Cn1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)n1	ZINC000587644930	EG	Annotated	Bother	
Cn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cn1	ZINC000587645194	EG	Annotated	Bother	
CCn1cc(Cl)c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)OC)n1	ZINC000587645242	EG	Annotated	Bother	
Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)n1	ZINC000587645331	EG	Annotated	Bother	
Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1	ZINC000587645342	EG	Annotated	Bother	
Cn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1	ZINC000587645354	EG	Annotated	Bother	
Cn1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)n1	ZINC000587645379	EG	Annotated	Bother	
Cn1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)n1	ZINC000587645439	EG	Annotated	Bother	
Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587645651	EG	Annotated	Bother	
COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587645834	EG	Annotated	Bother	
COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1F	ZINC000587645874	EG	Annotated	Bother	
CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587645888	EG	Annotated	Bother	
O=C(O)Cc1c(-c2cc(F)ccc2O)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587645895	EG	Annotated	Bother	
Cc1c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cnn1C	ZINC000587645975	EG	Annotated	Bother	
Cc1c(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cnn1C	ZINC000587645992	EG	Annotated	Bother	
CS(=O)(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587646023	EG	Annotated	Bother	
Cc1nn(C)cc1C(=O)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646064	EG	Annotated	Bother	
Cc1c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cnn1C	ZINC000587646124	EG	Annotated	Bother	
Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)F	ZINC000587646361	EG	Annotated	Bother	
CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)F)cn1	ZINC000587646382	EG	Annotated	Bother	
Cc1c(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cnn1C	ZINC000587646395	EG	Annotated	Bother	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1	ZINC000587646407	EG	Annotated	Bother	
CN(CCc1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12)N=O	ZINC000587646432	EG	Annotated	Bother	
C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC=O	ZINC000587646485	EG	Annotated	Mild	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1	ZINC000587646586	EG	Annotated	Bother	
CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)F)cn1	ZINC000587646609	EG	Annotated	Bother	
Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)F	ZINC000587646624	EG	Annotated	Bother	
CN(CCc1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12)N=O	ZINC000587646645	EG	Annotated	Bother	
CCOC(=O)/C(=C/N(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC	ZINC000587646697	EG	Annotated	Bother	
CCOC(=O)/C(=C\N(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC	ZINC000587646698	EG	Annotated	Bother	
C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CC=O	ZINC000587646752	EG	Annotated	Mild	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000587646830	EG	Annotated	Bother	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000587646831	EG	Annotated	Bother	
CCOC(=O)/C(=C\N(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC	ZINC000587646959	EG	Annotated	Bother	
CCOC(=O)/C(=C/N(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CC	ZINC000587646960	EG	Annotated	Bother	
C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646962	EG	Annotated	Bother	
C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646963	EG	Annotated	Bother	
C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646964	EG	Annotated	Bother	
C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587646965	EG	Annotated	Bother	
Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587647008	EG	Annotated	Bother	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000587647107	EG	Annotated	Bother	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](NC(=O)OC(C)(C)C)C(=O)O	ZINC000587647108	EG	Annotated	Bother	
CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCC=O	ZINC000587647153	EG	Annotated	Mild	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc2c(c1)OCO2	ZINC000587647355	EG	Annotated	Bother	
COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Cn2cncn2)cc1	ZINC000587647358	EG	Annotated	Bother	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc2c(c1)OCO2	ZINC000587647378	EG	Annotated	Bother	
CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587647453	EG	Annotated	Bother	
CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1CCC=O	ZINC000587647465	EG	Annotated	Mild	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCOc1ccccc1C(N)=O	ZINC000587647693	EG	Annotated	Bother	
COC(=O)Cc1c(-c2ccccc2N)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587647704	EG	Annotated	Bother	
Nc1c(-c2ncn(Cc3ccccc3)c2N)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587647780	EG	Annotated	Bother	
COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Cn2cncn2)cc1	ZINC000587647787	EG	Annotated	Bother	
O=C1CCC(=O)N1c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648053	EG	Annotated	Bother	
C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648075	EG	Annotated	Bother	
C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648077	EG	Annotated	Bother	
C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648078	EG	Annotated	Bother	
C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648079	EG	Annotated	Bother	
C=CCc1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587648221	EG	Annotated	Reactive	
COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648264	EG	Annotated	Bother	
COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648266	EG	Annotated	Bother	
CCOC(=O)Cc1c(-c2ccccn2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648308	EG	Annotated	Bother	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCN1C(=O)c2ccccc2C1=O	ZINC000587648335	EG	Annotated	Bother	
CC(C)(C)OC(=O)N1CC(c2[nH]c3cccc([N+](=O)[O-])c3c2C#N)C1	ZINC000587648466	EG	Annotated	Mild	
CC(C)C(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587648568	EG	Annotated	Anodyne	
O=c1ncccn1-c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587648691	EG	Annotated	Bother	
CC(C)(C)OC(=O)N1CC(c2[nH]c3cc([N+](=O)[O-])ccc3c2C#N)C1	ZINC000587648699	EG	Annotated	Mild	
CS(=O)(=O)c1ccc2[nH]c(C3CC3)c(C(=O)C(F)(F)F)c2c1	ZINC000587648827	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)ccn3)c(C#N)c2c1	ZINC000587648864	EG	Annotated	Mild	
CS(=O)(=O)c1ccc2[nH]c(CBr)c(C3CC3)c2c1	ZINC000587648872	EG	Annotated	Reactive	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3cnccn3)c2c1	ZINC000587648938	EG	Annotated	Anodyne	
CC1(c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)CC1	ZINC000587648963	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccco3)c2c1	ZINC000587648999	EG	Annotated	Anodyne	
N#Cc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587649085	EG	Annotated	Mild	
Cc1nn(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)c1Cl	ZINC000587649299	EG	Annotated	Anodyne	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1ccc(C(F)(F)F)n1	ZINC000587649393	EG	Annotated	Anodyne	
COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587649460	EG	Annotated	Bother	
COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2cc([N+](=O)[O-])ccc12	ZINC000587649462	EG	Annotated	Bother	
CC(C)c1c(CC(=O)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587649574	EG	Annotated	Anodyne	
CC(C)OC(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587649640	EG	Annotated	Anodyne	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1CN1C(=O)c2ccccc2C1=O	ZINC000587649690	EG	Annotated	Bother	
CCOC(=O)Cc1c(-c2cccnc2)[nH]c2cccc([N+](=O)[O-])c12	ZINC000587649702	EG	Annotated	Bother	
CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCBr	ZINC000587649716	EG	Annotated	Reactive	
Cc1c(CCCBr)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587649775	EG	Annotated	Reactive	
Cc1c(-c2cc(C(=O)O)ccc2F)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587649884	EG	Annotated	Anodyne	
CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)F	ZINC000587650035	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C3CC3)c2c1	ZINC000587650088	EG	Annotated	Anodyne	
COCc1c(Cc2cccc(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587650285	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccc2[nH]c(-c3ccco3)c(C(=O)C(F)F)c2c1	ZINC000587650453	EG	Annotated	Anodyne	
CC1(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)CC1	ZINC000587650568	EG	Annotated	Anodyne	
CCc1c(-c2cn(CC)nc2C)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587650595	EG	Annotated	Anodyne	
O=C(c1ccc(O)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587650712	EG	Annotated	Anodyne	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1Cc2ccccc2C1=O	ZINC000587650781	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1cc(Br)ccn1	ZINC000587650971	EG	Annotated	Anodyne	
CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)OC(C)(C)C	ZINC000587651022	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)ccn1	ZINC000587651054	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccccc1F	ZINC000587651099	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(Br)cn1	ZINC000587651143	EG	Annotated	Anodyne	
O=C(COc1ccccc1Cl)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651171	EG	Annotated	Anodyne	
Cc1cc(C(F)(F)F)nc(-n2ncc3ccc(Cl)cc3c2=O)n1	ZINC000587651189	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ncccc1Br	ZINC000587651222	EG	Annotated	Anodyne	
O=C(Nc1cc(F)cc(F)c1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651249	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)nc1	ZINC000587651255	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)cn1	ZINC000587651430	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ccnc(Br)c1	ZINC000587651437	EG	Annotated	Anodyne	
Cc1cccc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1	ZINC000587651485	EG	Annotated	Anodyne	
Cc1cccc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1	ZINC000587651487	EG	Annotated	Anodyne	
O=C(c1ccc(Cl)cc1O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651514	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1cccc(C(F)(F)F)n1	ZINC000587651529	EG	Annotated	Anodyne	
CC[C@@H]1CCCCN1C(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587651573	EG	Annotated	Anodyne	
CC[C@H]1CCCCN1C(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12	ZINC000587651574	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1nc2cc(F)c(F)cc2[nH]1	ZINC000587651622	EG	Annotated	Anodyne	
C[C@H](Oc1ccc(F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651665	EG	Annotated	Anodyne	
C[C@@H](Oc1ccc(F)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651668	EG	Annotated	Anodyne	
Cc1cc(C)cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1	ZINC000587651713	EG	Annotated	Anodyne	
CC(C)(C)[C@H]1OCC[C@@H]1C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651728	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1ncnc2ccc(F)cc12	ZINC000587651730	EG	Annotated	Anodyne	
O=C(c1ccc2ncccc2c1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651736	EG	Annotated	Anodyne	
Cc1ccccc1NCC(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651742	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1-c1cccc(Br)n1	ZINC000587651748	EG	Annotated	Anodyne	
O=C(O)c1ccc(Cl)c(-n2ncc3ccc(Cl)cc3c2=O)c1	ZINC000587651765	EG	Annotated	Anodyne	
Cc1ccc(NCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	ZINC000587651823	EG	Annotated	Anodyne	
C[C@H](Oc1ccccc1F)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651862	EG	Annotated	Anodyne	
C[C@@H](Oc1ccccc1F)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651863	EG	Annotated	Anodyne	
Cc1ccc(C)c(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1	ZINC000587651876	EG	Annotated	Anodyne	
O=C(CNc1ccc(F)cc1F)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651898	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cccc(F)c1	ZINC000587651919	EG	Annotated	Anodyne	
Nc1ccc2oc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2c1	ZINC000587651969	EG	Annotated	Anodyne	
O=C(CCNc1ccccc1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651973	EG	Annotated	Anodyne	
CC(C)(C)c1ocnc1C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587651985	EG	Annotated	Anodyne	
O=C(Cc1ccc(F)cc1F)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652012	EG	Annotated	Anodyne	
Cc1ccc(NCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1	ZINC000587652025	EG	Annotated	Anodyne	
C=CCOc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	ZINC000587652107	EG	Annotated	Mild	
O=C(c1cc(Cl)ccc1O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652115	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1C(=S)NCc1ccc(F)cc1	ZINC000587652117	EG	Annotated	Anodyne	
O=C(c1cccc2ncccc12)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652132	EG	Annotated	Anodyne	
O=C(Cc1noc2ccccc12)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652193	EG	Annotated	Anodyne	
O=C(Nc1c(F)cccc1F)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652252	EG	Annotated	Anodyne	
O=C(c1ccc2ccccc2n1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652300	EG	Annotated	Anodyne	
O=C(CCc1ccc(O)cc1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652318	EG	Annotated	Anodyne	
Cc1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1	ZINC000587652356	EG	Annotated	Anodyne	
O=C(c1cncc2ccccc12)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652358	EG	Annotated	Anodyne	
Cc1cccc(C)c1OCC(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652400	EG	Annotated	Anodyne	
C[C@@H](NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1	ZINC000587652403	EG	Annotated	Anodyne	
C[C@H](NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1	ZINC000587652406	EG	Annotated	Anodyne	
Cc1ccccc1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652444	EG	Annotated	Anodyne	
Cc1ccccc1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652445	EG	Annotated	Anodyne	
Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)nc(-c2ccccn2)n1	ZINC000587652449	EG	Annotated	Anodyne	
Cc1cccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)c1C	ZINC000587652528	EG	Annotated	Anodyne	
O=C(CCc1ccccc1O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652549	EG	Annotated	Anodyne	
O=C(c1cccc2cccnc12)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652699	EG	Annotated	Anodyne	
Cc1ccc(-c2ccnc(-n3ncc4ccc(Cl)cc4c3=O)n2)o1	ZINC000587652723	EG	Annotated	Anodyne	
O=C(Nc1ccc([N+](=O)[O-])cc1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587652760	EG	Annotated	Bother	
O=c1c2cc(Cl)ccc2cnn1-c1ccc(-c2ccccc2)nn1	ZINC000587652938	EG	Annotated	Anodyne	
O=C(Cn1ccc2ccccc21)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653139	EG	Annotated	Anodyne	
O=C(c1ccc(Cl)s1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653176	EG	Annotated	Anodyne	
CN(C)c1ccc(NC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	ZINC000587653422	EG	Annotated	Anodyne	
O=C(c1sccc1Cl)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653482	EG	Annotated	Anodyne	
CSc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653493	EG	Annotated	Anodyne	
Cc1csc2c(-n3ncc4ccc(Cl)cc4c3=O)ncnc12	ZINC000587653748	EG	Annotated	Anodyne	
O=C(c1cc2sccc2cn1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587653923	EG	Annotated	Anodyne	
O=C(CSc1ccccc1O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654073	EG	Annotated	Anodyne	
CSc1nc(Cl)cc(-n2ncc3ccc(Cl)cc3c2=O)n1	ZINC000587654151	EG	Annotated	Anodyne	
Cc1csc2ncnc(-n3ncc4ccc(Cl)cc4c3=O)c12	ZINC000587654152	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1C(=S)NCCc1cccs1	ZINC000587654289	EG	Annotated	Anodyne	
CCc1nc(C)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)s1	ZINC000587654318	EG	Annotated	Anodyne	
O=C(c1cc2c(s1)CCC2)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654341	EG	Annotated	Anodyne	
O=C(c1cc(Cl)cs1)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654686	EG	Annotated	Anodyne	
CSc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1	ZINC000587654843	EG	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654915	EG	Annotated	Anodyne	
C[C@H]1CCCC[C@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654917	EG	Annotated	Anodyne	
C[C@@H]1CCCC[C@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654919	EG	Annotated	Anodyne	
C[C@@H]1CCCC[C@@H]1NC(=S)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654921	EG	Annotated	Anodyne	
O=C(Cc1c[nH]c2ccccc12)n1ncc2ccc(Cl)cc2c1=O	ZINC000587654925	EG	Annotated	Anodyne	
O=c1c2cc(Cl)ccc2cnn1C(=S)NCCc1ccccc1	ZINC000587655252	EG	Annotated	Anodyne	
C[C@H](CN1CCCCCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587655274	EG	Annotated	Anodyne	
C[C@@H](CN1CCCCCC1)C(=O)n1ncc2ccc(Cl)cc2c1=O	ZINC000587655275	EG	Annotated	Anodyne	
CO[C@@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655376	EG	Annotated	Anodyne	
CO[C@H](C)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655377	EG	Annotated	Anodyne	
CC[C@@H](O)Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655857	EG	Annotated	Anodyne	
CC[C@H](O)Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587655860	EG	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1CCCCO	ZINC000587655912	EG	Annotated	Anodyne	
CC(C)(O)Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656572	EG	Annotated	Anodyne	
Cn1ccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656743	EG	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccnnc1	ZINC000587656746	EG	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncccn1	ZINC000587656747	EG	Annotated	Anodyne	
O=C(C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656787	EG	Annotated	Anodyne	
CCOC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587656827	EG	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccncn1	ZINC000587656969	EG	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cnccn1	ZINC000587657033	EG	Annotated	Anodyne	
CCOCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657173	EG	Annotated	Anodyne	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cncnc1	ZINC000587657408	EG	Annotated	Anodyne	
O=C(CCS)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587657652	EG	Annotated	Mild	
CN(C)C(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658011	EG	Annotated	Anodyne	
O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C(F)(F)F	ZINC000587658353	EG	Annotated	Anodyne	
CSCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587658403	EG	Annotated	Anodyne	
CCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	ZINC000587659198	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(F)cn1	ZINC000587659222	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ncccn1	ZINC000587659693	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccnn1	ZINC000587659708	EG	Annotated	Anodyne	
O=C([C@@H]1CCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659818	EG	Annotated	Anodyne	
O=C([C@H]1CCCO1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659819	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cncnc1	ZINC000587659824	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(O)c1	ZINC000587659825	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cnccn1	ZINC000587659873	EG	Annotated	Anodyne	
CC(C)OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587659883	EG	Annotated	Anodyne	
O=C(c1cccnc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660200	EG	Annotated	Anodyne	
O=C(c1ccc[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660214	EG	Annotated	Anodyne	
Cc1nccnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660249	EG	Annotated	Anodyne	
Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)no1	ZINC000587660250	EG	Annotated	Anodyne	
Cc1cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ncn1	ZINC000587660515	EG	Annotated	Anodyne	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccnnc1	ZINC000587660600	EG	Annotated	Anodyne	
Cc1cncc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1	ZINC000587660609	EG	Annotated	Anodyne	
O=C(c1ccncc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660667	EG	Annotated	Anodyne	
O=C(c1ccoc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660756	EG	Annotated	Anodyne	
Cc1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)co1	ZINC000587660817	EG	Annotated	Anodyne	
Cc1ocnc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587660826	EG	Annotated	Anodyne	
O=C(CCS)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661221	EG	Annotated	Mild	
O=C(c1ccccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661259	EG	Annotated	Anodyne	
CCCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661301	EG	Annotated	Anodyne	
O=C(c1ccco1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661537	EG	Annotated	Anodyne	
Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)on1	ZINC000587661564	EG	Annotated	Anodyne	
Cn1cccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661606	EG	Annotated	Anodyne	
CSCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587661699	EG	Annotated	Anodyne	
Cc1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(N)c1	ZINC000587661959	EG	Annotated	Anodyne	
Cc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nn1	ZINC000587662088	EG	Annotated	Anodyne	
C=CCNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	ZINC000587662231	EG	Annotated	Mild	
Cc1nnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)s1	ZINC000587662367	EG	Annotated	Anodyne	
COC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587685600	EG	Annotated	Reactive	
COC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587685601	EG	Annotated	Reactive	
COC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587685602	EG	Annotated	Reactive	
COC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587685603	EG	Annotated	Reactive	
COC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688747	EG	Annotated	Reactive	
COC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688748	EG	Annotated	Reactive	
COC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688749	EG	Annotated	Reactive	
COC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587688750	EG	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)C(F)(F)F)N1	ZINC000587702676	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)C(F)(F)F)N1	ZINC000587702688	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)C(F)(F)F)N1	ZINC000587702689	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)C(F)(F)F)N1	ZINC000587702690	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(C(F)(F)F)N1	ZINC000587703952	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(C(F)(F)F)N1	ZINC000587703954	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(C(F)(F)F)N1	ZINC000587703955	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(C(F)(F)F)N1	ZINC000587703957	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(C(F)(F)F)N1	ZINC000587706984	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(C(F)(F)F)N1	ZINC000587706985	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(C(F)(F)F)N1	ZINC000587706986	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(C(F)(F)F)N1	ZINC000587706987	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)C(F)(F)F)N1	ZINC000587708175	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)C(F)(F)F)N1	ZINC000587708178	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)C(F)(F)F)N1	ZINC000587708180	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)C(F)(F)F)N1	ZINC000587708183	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(F)F)N1	ZINC000587717789	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(F)F)N1	ZINC000587717821	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC#N)(C(F)F)N1	ZINC000587717822	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC#N)(C(F)F)N1	ZINC000587717823	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(F)F)N1	ZINC000587720913	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(F)F)N1	ZINC000587720914	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC#N)(C(F)F)N1	ZINC000587720915	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC#N)(C(F)F)N1	ZINC000587720916	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cn2)N1	ZINC000587730523	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cn2)N1	ZINC000587730528	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(F)cn2)N1	ZINC000587730529	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(F)cn2)N1	ZINC000587730530	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cn2)N1	ZINC000587734462	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cn2)N1	ZINC000587734464	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(F)cn2)N1	ZINC000587734466	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(F)cn2)N1	ZINC000587734467	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@H]2F)N1	ZINC000587738118	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@@H]2F)N1	ZINC000587738119	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2F)N1	ZINC000587738120	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2F)N1	ZINC000587738121	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2F)N1	ZINC000587738284	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@H]2F)N1	ZINC000587738285	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2F)N1	ZINC000587738286	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@@H]2F)N1	ZINC000587738287	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@@H](F)C2)N1	ZINC000587738376	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCO[C@H](F)C2)N1	ZINC000587738377	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@H](F)C2)N1	ZINC000587738378	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCO[C@@H](F)C2)N1	ZINC000587738379	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C)N1	ZINC000587738863	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCN(C)C)N1	ZINC000587738886	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C)N1	ZINC000587738888	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCN(C)C)N1	ZINC000587738890	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/N(C)C)N1	ZINC000587738901	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/N(C)C)N1	ZINC000587738921	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/N(C)C)N1	ZINC000587738922	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/N(C)C)N1	ZINC000587738923	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C\N(C)C)N1	ZINC000587739383	EG	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C\N(C)C)N1	ZINC000587739388	EG	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C/N(C)C)N1	ZINC000587739389	EG	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C/N(C)C)N1	ZINC000587739390	EG	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@H](F)C2)N1	ZINC000587740541	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@@H](F)C2)N1	ZINC000587740542	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCO[C@@H](F)C2)N1	ZINC000587740543	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCO[C@H](F)C2)N1	ZINC000587740544	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741531	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741538	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741539	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587741541	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587741871	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587741872	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587741875	EG	Annotated	Anodyne	
CC(=O)[C@H](N=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587741876	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/N(C)C)N1	ZINC000587742069	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/N(C)C)N1	ZINC000587742070	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/N(C)C)N1	ZINC000587742072	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/N(C)C)N1	ZINC000587742074	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N)CCC2)N1	ZINC000587742815	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N)CCC2)N1	ZINC000587742816	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N)CCC2)N1	ZINC000587742817	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N)CCC2)N1	ZINC000587742818	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc[nH]c(=N)c2)N1	ZINC000587742819	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc[nH]c(=N)c2)N1	ZINC000587742836	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc[nH]c(=N)c2)N1	ZINC000587742838	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc[nH]c(=N)c2)N1	ZINC000587742840	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C\N(C)C)N1	ZINC000587742872	EG	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C\N(C)C)N1	ZINC000587742873	EG	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C/N(C)C)N1	ZINC000587742874	EG	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C/N(C)C)N1	ZINC000587742875	EG	Annotated	Reactive	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C)N1	ZINC000587743447	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCN(C)C)N1	ZINC000587743449	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C)N1	ZINC000587743451	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCN(C)C)N1	ZINC000587743455	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2N)N1	ZINC000587743601	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2N)N1	ZINC000587743602	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2N)N1	ZINC000587743603	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2N)N1	ZINC000587743604	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2N)N1	ZINC000587743621	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2N)N1	ZINC000587743622	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2N)N1	ZINC000587743624	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2N)N1	ZINC000587743625	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=N)N1	ZINC000587743649	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=N)N1	ZINC000587743651	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]ccc2=N)N1	ZINC000587743653	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]ccc2=N)N1	ZINC000587743655	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc[nH]c(=N)c2)N1	ZINC000587743685	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc[nH]c(=N)c2)N1	ZINC000587743689	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc[nH]c(=N)c2)N1	ZINC000587743692	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc[nH]c(=N)c2)N1	ZINC000587743695	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N)N1	ZINC000587744057	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N)N1	ZINC000587744059	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N)N1	ZINC000587744060	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N)N1	ZINC000587744063	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N)CCC2)N1	ZINC000587744277	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N)CCC2)N1	ZINC000587744279	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N)CCC2)N1	ZINC000587744282	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N)CCC2)N1	ZINC000587744285	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N)N1	ZINC000587744325	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N)N1	ZINC000587744326	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N)N1	ZINC000587744564	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N)N1	ZINC000587744565	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](N)C2)N1	ZINC000587745011	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](N)C2)N1	ZINC000587745012	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](N)C2)N1	ZINC000587745013	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](N)C2)N1	ZINC000587745014	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=N)[nH]c2)N1	ZINC000587747064	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=N)[nH]c2)N1	ZINC000587747065	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(=N)[nH]c2)N1	ZINC000587747066	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(=N)[nH]c2)N1	ZINC000587747067	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=N)[nH]c2)N1	ZINC000587747073	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=N)[nH]c2)N1	ZINC000587747075	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(=N)[nH]c2)N1	ZINC000587747077	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(=N)[nH]c2)N1	ZINC000587747079	EG	Annotated	Anodyne	
CC(C)[C@@H](N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747277	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747278	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747279	EG	Annotated	Anodyne	
CC(C)[C@@H](N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587747280	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2N)N1	ZINC000587747713	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2N)N1	ZINC000587747715	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2N)N1	ZINC000587747716	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2N)N1	ZINC000587747718	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2N)N1	ZINC000587748390	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2N)N1	ZINC000587748391	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2N)N1	ZINC000587748392	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2N)N1	ZINC000587748393	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=N)N1	ZINC000587748402	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=N)N1	ZINC000587748403	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]ccc2=N)N1	ZINC000587748404	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]ccc2=N)N1	ZINC000587748405	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](N)C2)N1	ZINC000587748698	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](N)C2)N1	ZINC000587748700	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](N)C2)N1	ZINC000587748702	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](N)C2)N1	ZINC000587748704	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ccccc2)N1	ZINC000587749685	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ccccc2)N1	ZINC000587749689	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ccccc2)N1	ZINC000587749691	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ccccc2)N1	ZINC000587749693	EG	Annotated	Anodyne	
CC(C)[C@@H](N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587750305	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587750308	EG	Annotated	Anodyne	
CC(C)[C@H](N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587750312	EG	Annotated	Anodyne	
CC(C)[C@@H](N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587750315	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(C(C)(C)C)N1	ZINC000587750450	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(C(C)(C)C)N1	ZINC000587750451	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(C(C)(C)C)N1	ZINC000587750452	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(C(C)(C)C)N1	ZINC000587750453	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ccccc2)N1	ZINC000587751123	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ccccc2)N1	ZINC000587751125	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ccccc2)N1	ZINC000587751127	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ccccc2)N1	ZINC000587751129	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(C(C)(C)C)N1	ZINC000587751263	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(C(C)(C)C)N1	ZINC000587751265	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(C(C)(C)C)N1	ZINC000587751267	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(C(C)(C)C)N1	ZINC000587751269	EG	Annotated	Anodyne	
CCn1ccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751802	EG	Annotated	Anodyne	
CCn1ccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751803	EG	Annotated	Anodyne	
CCn1ccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751804	EG	Annotated	Anodyne	
CCn1ccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587751805	EG	Annotated	Anodyne	
CO/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587752203	EG	Annotated	Anodyne	
CO/C(=C/N(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587752204	EG	Annotated	Anodyne	
CO/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587752205	EG	Annotated	Anodyne	
CO/C(=C/N(C)C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587752206	EG	Annotated	Anodyne	
CO/C(=C/N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752634	EG	Annotated	Anodyne	
CO/C(=C/N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752637	EG	Annotated	Anodyne	
CO/C(=C\N(C)C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752639	EG	Annotated	Anodyne	
CO/C(=C\N(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587752641	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587752785	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587752787	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587752788	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587752789	EG	Annotated	Anodyne	
Cc1cn(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752818	EG	Annotated	Anodyne	
Cc1cn(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752819	EG	Annotated	Anodyne	
Cc1cn(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752820	EG	Annotated	Anodyne	
Cc1cn(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587752821	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587752822	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587752823	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587752824	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587752825	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C/N(C)C)N1	ZINC000587753224	EG	Annotated	Reactive	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C/N(C)C)N1	ZINC000587753225	EG	Annotated	Reactive	
CCn1ccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753413	EG	Annotated	Anodyne	
CCn1ccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753414	EG	Annotated	Anodyne	
CCn1ccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753415	EG	Annotated	Anodyne	
CCn1ccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587753416	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncn2C)N1	ZINC000587753449	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncn2C)N1	ZINC000587753450	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncn2C)N1	ZINC000587753451	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncn2C)N1	ZINC000587753452	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)n(C)c2)N1	ZINC000587753921	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)n(C)c2)N1	ZINC000587754015	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)n(C)c2)N1	ZINC000587754018	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)n(C)c2)N1	ZINC000587754020	EG	Annotated	Mild	
CC(=O)NCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754093	EG	Annotated	Anodyne	
CC(=O)NCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754100	EG	Annotated	Anodyne	
CC(=O)NCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754101	EG	Annotated	Anodyne	
CC(=O)NCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587754103	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1C	ZINC000587754205	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1C	ZINC000587754206	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ncn1C	ZINC000587754207	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ncn1C	ZINC000587754208	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccn2C)N1	ZINC000587754312	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccn2C)N1	ZINC000587754314	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nccn2C)N1	ZINC000587754315	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nccn2C)N1	ZINC000587754318	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccn2C)N1	ZINC000587754386	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccn2C)N1	ZINC000587754389	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nccn2C)N1	ZINC000587754392	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nccn2C)N1	ZINC000587754396	EG	Annotated	Anodyne	
Cc1cn(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587754778	EG	Annotated	Anodyne	
Cc1cn(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587754780	EG	Annotated	Anodyne	
Cc1cn(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587754782	EG	Annotated	Anodyne	
Cc1cn(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587754784	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587754997	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587754998	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587754999	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C	ZINC000587755000	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587755070	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587755073	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587755074	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C	ZINC000587755076	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncn2C)N1	ZINC000587755116	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncn2C)N1	ZINC000587755118	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncn2C)N1	ZINC000587755120	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncn2C)N1	ZINC000587755122	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1C	ZINC000587755362	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1C	ZINC000587755364	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ncn1C	ZINC000587755368	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ncn1C	ZINC000587755370	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2ccnc2)N1	ZINC000587755691	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2ccnc2)N1	ZINC000587755692	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2ccnc2)N1	ZINC000587755693	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2ccnc2)N1	ZINC000587755694	EG	Annotated	Anodyne	
CCn1nccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755909	EG	Annotated	Anodyne	
CCn1nccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755910	EG	Annotated	Anodyne	
CCn1nccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755911	EG	Annotated	Anodyne	
CCn1nccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587755912	EG	Annotated	Anodyne	
CCn1cncc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756234	EG	Annotated	Anodyne	
CCn1cncc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756235	EG	Annotated	Anodyne	
CCn1cncc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756237	EG	Annotated	Anodyne	
CCn1cncc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587756238	EG	Annotated	Anodyne	
Cc1cnn(C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587756286	EG	Annotated	Anodyne	
Cc1cnn(C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587756287	EG	Annotated	Anodyne	
Cc1cnn(C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587756288	EG	Annotated	Anodyne	
Cc1cnn(C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	ZINC000587756289	EG	Annotated	Anodyne	
CC(=O)NCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757025	EG	Annotated	Anodyne	
CC(=O)NCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757027	EG	Annotated	Anodyne	
CC(=O)NCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757029	EG	Annotated	Anodyne	
CC(=O)NCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757030	EG	Annotated	Anodyne	
CCn1cncc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757056	EG	Annotated	Anodyne	
CCn1cncc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757057	EG	Annotated	Anodyne	
CCn1cncc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757058	EG	Annotated	Anodyne	
CCn1cncc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587757059	EG	Annotated	Anodyne	
CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587757174	EG	Annotated	Anodyne	
CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587757176	EG	Annotated	Anodyne	
CCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587757178	EG	Annotated	Anodyne	
CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587757180	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C/N(C)C)N1	ZINC000587757328	EG	Annotated	Reactive	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C/N(C)C)N1	ZINC000587757330	EG	Annotated	Reactive	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)n(C)c2)N1	ZINC000587757369	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)n(C)c2)N1	ZINC000587757370	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)n(C)c2)N1	ZINC000587757372	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)n(C)c2)N1	ZINC000587757373	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2C)N1	ZINC000587758257	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2C)N1	ZINC000587758258	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnn2C)N1	ZINC000587758259	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnn2C)N1	ZINC000587758260	EG	Annotated	Anodyne	
CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587758710	EG	Annotated	Anodyne	
CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587758711	EG	Annotated	Anodyne	
CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587758713	EG	Annotated	Anodyne	
CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587758714	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2C)N1	ZINC000587759393	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2C)N1	ZINC000587759394	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnn2C)N1	ZINC000587759396	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnn2C)N1	ZINC000587759398	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cccn2)N1	ZINC000587759757	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2cccn2)N1	ZINC000587759758	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cccn2)N1	ZINC000587759759	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2cccn2)N1	ZINC000587759760	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587759886	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587759887	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587759888	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587759889	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N(C)C2)N1	ZINC000587759890	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759891	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CN1C)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759892	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N(C)C2)N1	ZINC000587759893	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759902	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759903	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759904	EG	Annotated	Anodyne	
CCN1C[C@H](C)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759905	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)C[C@H]2C)N1	ZINC000587759926	EG	Annotated	Anodyne	
C[C@H]1CN(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759927	EG	Annotated	Anodyne	
C[C@H]1CN(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587759928	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)C[C@H]2C)N1	ZINC000587759929	EG	Annotated	Anodyne	
CCn1nccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760299	EG	Annotated	Anodyne	
CCn1nccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760301	EG	Annotated	Anodyne	
CCn1nccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760303	EG	Annotated	Anodyne	
CCn1nccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587760305	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cccn2)N1	ZINC000587760733	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2cccn2)N1	ZINC000587760735	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cccn2)N1	ZINC000587760736	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2cccn2)N1	ZINC000587760737	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCn2cccn2)N1	ZINC000587761011	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCn2cccn2)N1	ZINC000587761012	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCn2cccn2)N1	ZINC000587761013	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCn2cccn2)N1	ZINC000587761014	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCn2cccn2)N1	ZINC000587761175	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCn2cccn2)N1	ZINC000587761176	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCn2cccn2)N1	ZINC000587761177	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCn2cccn2)N1	ZINC000587761178	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)n1	ZINC000587761675	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)n1	ZINC000587761676	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)n1	ZINC000587761677	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)n1	ZINC000587761678	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)C[C@H]2C)N1	ZINC000587761870	EG	Annotated	Anodyne	
C[C@H]1CN(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587761871	EG	Annotated	Anodyne	
C[C@H]1CN(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587761872	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)C[C@H]2C)N1	ZINC000587761873	EG	Annotated	Anodyne	
Cc1cnn(C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587762380	EG	Annotated	Anodyne	
Cc1cnn(C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587762381	EG	Annotated	Anodyne	
Cc1cnn(C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587762382	EG	Annotated	Anodyne	
Cc1cnn(C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	ZINC000587762383	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2)N1	ZINC000587762448	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2)N1	ZINC000587762449	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnn(C)c2)N1	ZINC000587762450	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnn(C)c2)N1	ZINC000587762451	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C	ZINC000587762472	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C	ZINC000587762473	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C	ZINC000587762474	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C	ZINC000587762475	EG	Annotated	Anodyne	
CCn1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587762480	EG	Annotated	Anodyne	
CCn1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587762481	EG	Annotated	Anodyne	
CCn1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587762482	EG	Annotated	Anodyne	
CCn1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587762483	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CCN1C)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587762758	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)[C@H](C)C2)N1	ZINC000587762759	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CCN1C)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587762761	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)[C@H](C)C2)N1	ZINC000587762763	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)n2)N1	ZINC000587762812	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)n2)N1	ZINC000587762814	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccn(C)n2)N1	ZINC000587762816	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccn(C)n2)N1	ZINC000587762817	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C	ZINC000587762845	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C	ZINC000587762847	EG	Annotated	Anodyne	
Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C	ZINC000587762849	EG	Annotated	Anodyne	
Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C	ZINC000587762850	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N(C)C2)N1	ZINC000587763000	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763001	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CN1C)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763002	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N(C)C2)N1	ZINC000587763003	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)n1	ZINC000587763052	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)n1	ZINC000587763053	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)n1	ZINC000587763054	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)n1	ZINC000587763055	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(C)n2)N1	ZINC000587763068	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)n2)N1	ZINC000587763069	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccn(C)n2)N1	ZINC000587763070	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccn(C)n2)N1	ZINC000587763071	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CCN1C)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763370	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)[C@H](C)C2)N1	ZINC000587763371	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CCN1C)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587763372	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)[C@H](C)C2)N1	ZINC000587763373	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763588	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763589	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763590	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587763591	EG	Annotated	Anodyne	
CCn1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587763696	EG	Annotated	Anodyne	
CCn1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587763697	EG	Annotated	Anodyne	
CCn1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587763698	EG	Annotated	Anodyne	
CCn1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587763699	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C	ZINC000587763994	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C	ZINC000587763995	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1C	ZINC000587763997	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1C	ZINC000587763999	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)CC2)N1	ZINC000587764098	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)CC2)N1	ZINC000587764099	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)CC2)N1	ZINC000587764100	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)CC2)N1	ZINC000587764101	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)CC2)N1	ZINC000587764688	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)CC2)N1	ZINC000587764690	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)CC2)N1	ZINC000587764691	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)CC2)N1	ZINC000587764692	EG	Annotated	Anodyne	
CCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587764877	EG	Annotated	Anodyne	
CCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587764879	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587765290	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587765293	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587765295	EG	Annotated	Anodyne	
Cc1nn(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587765296	EG	Annotated	Anodyne	
CCN1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587765723	EG	Annotated	Anodyne	
CCN1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587765724	EG	Annotated	Anodyne	
CCN1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587765725	EG	Annotated	Anodyne	
CCN1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587765726	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C)CC2)N1	ZINC000587766167	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C)CC2)N1	ZINC000587766168	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587766402	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587766404	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587766406	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587766409	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2)N1	ZINC000587766454	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2)N1	ZINC000587766455	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnn(C)c2)N1	ZINC000587766456	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnn(C)c2)N1	ZINC000587766457	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C)CC2)N1	ZINC000587767035	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C)CC2)N1	ZINC000587767037	EG	Annotated	Anodyne	
CCN1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587767204	EG	Annotated	Anodyne	
CCN1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587767208	EG	Annotated	Anodyne	
CCN1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587767212	EG	Annotated	Anodyne	
CCN1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587767214	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767362	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767363	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767364	EG	Annotated	Anodyne	
Cc1cnn(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767366	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cn2)N1	ZINC000587767441	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cn2)N1	ZINC000587767442	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cn2)N1	ZINC000587767443	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cn2)N1	ZINC000587767444	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)n2)N1	ZINC000587767445	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C=O)n2)N1	ZINC000587767446	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)n2)N1	ZINC000587767447	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C=O)n2)N1	ZINC000587767448	EG	Annotated	Anodyne	
Cc1nccnc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767459	EG	Annotated	Anodyne	
Cc1nccnc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767460	EG	Annotated	Anodyne	
Cc1nccnc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767461	EG	Annotated	Anodyne	
Cc1nccnc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587767462	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)n2)N1	ZINC000587767809	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C#N)n2)N1	ZINC000587767813	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)n2)N1	ZINC000587767814	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C#N)n2)N1	ZINC000587767816	EG	Annotated	Mild	
Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C	ZINC000587767934	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C	ZINC000587767936	EG	Annotated	Anodyne	
Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1C	ZINC000587767940	EG	Annotated	Anodyne	
Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1C	ZINC000587767942	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)C2)N1	ZINC000587768166	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C)C2)N1	ZINC000587768167	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)C2)N1	ZINC000587768168	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C)C2)N1	ZINC000587768169	EG	Annotated	Anodyne	
CC(C)N1CC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768184	EG	Annotated	Anodyne	
CC(C)N1CC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768185	EG	Annotated	Anodyne	
CC(C)N1CC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768186	EG	Annotated	Anodyne	
CC(C)N1CC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587768187	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)C2)N1	ZINC000587768734	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C)C2)N1	ZINC000587768737	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)C2)N1	ZINC000587768740	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C)C2)N1	ZINC000587768742	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(O)c2)N1	ZINC000587769951	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(O)c2)N1	ZINC000587769955	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(O)c2)N1	ZINC000587769957	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(O)c2)N1	ZINC000587769959	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)nc2)N1	ZINC000587769962	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)nc2)N1	ZINC000587769964	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)nc2)N1	ZINC000587769967	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)nc2)N1	ZINC000587769970	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(O)c2)N1	ZINC000587770051	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(O)c2)N1	ZINC000587770052	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(O)c2)N1	ZINC000587770055	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(O)c2)N1	ZINC000587770056	EG	Annotated	Anodyne	
CCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587770247	EG	Annotated	Anodyne	
CCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587770248	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587770432	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587770435	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587770436	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587770437	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3ccnc32)N1	ZINC000587770602	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3ccnc32)N1	ZINC000587770603	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3ccnc32)N1	ZINC000587770604	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3ccnc32)N1	ZINC000587770605	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(C#N)c2)N1	ZINC000587770709	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(C#N)c2)N1	ZINC000587770712	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(C#N)c2)N1	ZINC000587770715	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(C#N)c2)N1	ZINC000587770718	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)nc2)N1	ZINC000587770943	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)nc2)N1	ZINC000587770944	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)nc2)N1	ZINC000587770945	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)nc2)N1	ZINC000587770946	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2O)N1	ZINC000587770951	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2O)N1	ZINC000587770952	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2O)N1	ZINC000587770953	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2O)N1	ZINC000587770954	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)nc2)N1	ZINC000587770959	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)nc2)N1	ZINC000587770960	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)nc2)N1	ZINC000587770961	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)nc2)N1	ZINC000587770962	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CNn3cccc32)N1	ZINC000587770979	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CNn3cccc32)N1	ZINC000587770980	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CNn3cccc32)N1	ZINC000587770981	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CNn3cccc32)N1	ZINC000587770982	EG	Annotated	Anodyne	
CC(C)N1CC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587771007	EG	Annotated	Anodyne	
CC(C)N1CC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587771009	EG	Annotated	Anodyne	
CC(C)N1CC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587771010	EG	Annotated	Anodyne	
CC(C)N1CC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587771012	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2O)N1	ZINC000587771358	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2O)N1	ZINC000587771360	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2O)N1	ZINC000587771364	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2O)N1	ZINC000587771366	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)nc2)N1	ZINC000587771486	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)nc2)N1	ZINC000587771487	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)nc2)N1	ZINC000587771489	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)nc2)N1	ZINC000587771490	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587771704	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587771709	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587771710	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nc1	ZINC000587771712	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)n2)N1	ZINC000587772043	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)n2)N1	ZINC000587772044	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)n2)N1	ZINC000587772045	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)n2)N1	ZINC000587772047	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccn2)N1	ZINC000587772080	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C#N)ccn2)N1	ZINC000587772082	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccn2)N1	ZINC000587772083	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C#N)ccn2)N1	ZINC000587772084	EG	Annotated	Mild	
Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587772369	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587772372	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587772375	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587772377	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CNn3cccc32)N1	ZINC000587772409	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CNn3cccc32)N1	ZINC000587772412	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CNn3cccc32)N1	ZINC000587772415	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CNn3cccc32)N1	ZINC000587772417	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2O)N1	ZINC000587772440	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2O)N1	ZINC000587772442	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2O)N1	ZINC000587772445	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2O)N1	ZINC000587772446	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)n2)N1	ZINC000587772591	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C=O)n2)N1	ZINC000587772593	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)n2)N1	ZINC000587772595	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C=O)n2)N1	ZINC000587772597	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3ccnc32)N1	ZINC000587772725	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3ccnc32)N1	ZINC000587772726	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3ccnc32)N1	ZINC000587772727	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3ccnc32)N1	ZINC000587772728	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccn2)N1	ZINC000587772905	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C#N)ccn2)N1	ZINC000587772907	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccn2)N1	ZINC000587772908	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C#N)ccn2)N1	ZINC000587772910	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccn2)N1	ZINC000587773119	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccn2)N1	ZINC000587773121	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncccn2)N1	ZINC000587773122	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncccn2)N1	ZINC000587773123	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cn2)N1	ZINC000587773334	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C#N)cn2)N1	ZINC000587773335	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cn2)N1	ZINC000587773336	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C#N)cn2)N1	ZINC000587773337	EG	Annotated	Mild	
Cc1nccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587773492	EG	Annotated	Anodyne	
Cc1nccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587773493	EG	Annotated	Anodyne	
Cc1nccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587773494	EG	Annotated	Anodyne	
Cc1nccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587773495	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cn2)N1	ZINC000587773614	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C#N)cn2)N1	ZINC000587773616	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cn2)N1	ZINC000587773618	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C#N)cn2)N1	ZINC000587773620	EG	Annotated	Mild	
Cc1ccnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587774116	EG	Annotated	Anodyne	
Cc1ccnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587774118	EG	Annotated	Anodyne	
Cc1ccnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587774119	EG	Annotated	Anodyne	
Cc1ccnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1	ZINC000587774121	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)n2)N1	ZINC000587774264	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)n2)N1	ZINC000587774265	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)n2)N1	ZINC000587774266	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)n2)N1	ZINC000587774267	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccn2)N1	ZINC000587774316	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccn2)N1	ZINC000587774317	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncccn2)N1	ZINC000587774318	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncccn2)N1	ZINC000587774319	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587774364	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587774365	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587774366	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1	ZINC000587774367	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2O)N1	ZINC000587774496	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2O)N1	ZINC000587774497	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2O)N1	ZINC000587774498	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2O)N1	ZINC000587774499	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cn3ccnc3C2)N1	ZINC000587774641	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cn3ccnc3C2)N1	ZINC000587774642	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=Cn3ccnc3C2)N1	ZINC000587774643	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=Cn3ccnc3C2)N1	ZINC000587774644	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnccn2)N1	ZINC000587775001	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnccn2)N1	ZINC000587775002	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnccn2)N1	ZINC000587775003	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnccn2)N1	ZINC000587775004	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2O)N1	ZINC000587775037	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2O)N1	ZINC000587775038	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2O)N1	ZINC000587775039	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2O)N1	ZINC000587775040	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)n2)N1	ZINC000587775045	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C#N)n2)N1	ZINC000587775046	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)n2)N1	ZINC000587775047	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C#N)n2)N1	ZINC000587775048	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cn2)N1	ZINC000587775349	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cn2)N1	ZINC000587775350	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cn2)N1	ZINC000587775351	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cn2)N1	ZINC000587775352	EG	Annotated	Anodyne	
Cc1nccnc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775397	EG	Annotated	Anodyne	
Cc1nccnc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775398	EG	Annotated	Anodyne	
Cc1nccnc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775399	EG	Annotated	Anodyne	
Cc1nccnc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587775400	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587775563	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587775564	EG	Annotated	Anodyne	
Cc1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587775565	EG	Annotated	Anodyne	
Cc1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nc1	ZINC000587775566	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(C#N)c2)N1	ZINC000587775685	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(C#N)c2)N1	ZINC000587775686	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(C#N)c2)N1	ZINC000587775687	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(C#N)c2)N1	ZINC000587775688	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cn3ccnc3C2)N1	ZINC000587775693	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cn3ccnc3C2)N1	ZINC000587775694	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=Cn3ccnc3C2)N1	ZINC000587775695	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=Cn3ccnc3C2)N1	ZINC000587775696	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(O)c2)N1	ZINC000587775697	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(O)c2)N1	ZINC000587775698	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc(O)c2)N1	ZINC000587775699	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc(O)c2)N1	ZINC000587775700	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587775867	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587775870	EG	Annotated	Anodyne	
Cc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587775872	EG	Annotated	Anodyne	
Cc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1	ZINC000587775875	EG	Annotated	Anodyne	
Cc1nccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776045	EG	Annotated	Anodyne	
Cc1nccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776046	EG	Annotated	Anodyne	
Cc1nccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776047	EG	Annotated	Anodyne	
Cc1nccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776048	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnccn2)N1	ZINC000587776388	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnccn2)N1	ZINC000587776389	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnccn2)N1	ZINC000587776390	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnccn2)N1	ZINC000587776391	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(O)c2)N1	ZINC000587776597	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(O)c2)N1	ZINC000587776599	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc(O)c2)N1	ZINC000587776600	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc(O)c2)N1	ZINC000587776602	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2O)N1	ZINC000587776906	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2O)N1	ZINC000587776908	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2O)N1	ZINC000587776909	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2O)N1	ZINC000587776911	EG	Annotated	Anodyne	
Cc1ccnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776919	EG	Annotated	Anodyne	
Cc1ccnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776920	EG	Annotated	Anodyne	
Cc1ccnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776921	EG	Annotated	Anodyne	
Cc1ccnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1	ZINC000587776924	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncn2)N1	ZINC000587777252	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncn2)N1	ZINC000587777254	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccncn2)N1	ZINC000587777255	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccncn2)N1	ZINC000587777257	EG	Annotated	Anodyne	
CCCOc1cc2nc(CC(=O)OCC)[nH]c2cc1Br	ZINC000587777322	EG	Annotated	Anodyne	
CCCOc1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1	ZINC000587777532	EG	Annotated	Anodyne	
CCOC(=O)Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1	ZINC000587777562	EG	Annotated	Anodyne	
CCOc1ccc(OCC)c(-c2nc3ccc(C(=O)OC)nc3[nH]2)c1	ZINC000587777571	EG	Annotated	Anodyne	
CCOc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1C	ZINC000587777800	EG	Annotated	Anodyne	
CCOc1ccc(OCC)c(-c2nc3c(S)nc(S)nc3[nH]2)c1	ZINC000587777812	EG	Annotated	Anodyne	
CCOc1ccc(OCC)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1	ZINC000587778023	EG	Annotated	Bother	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncn2)N1	ZINC000587778271	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncn2)N1	ZINC000587778273	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccncn2)N1	ZINC000587778275	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccncn2)N1	ZINC000587778276	EG	Annotated	Anodyne	
CCOCCOCc1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587778503	EG	Annotated	Anodyne	
CCOCCOCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	ZINC000587778790	EG	Annotated	Clean	
CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1	ZINC000587779139	EG	Annotated	Bother	
CCOCCOCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	ZINC000587779157	EG	Annotated	Anodyne	
CCOCCOCc1nc2cc(Br)c(C)c(C)c2[nH]1	ZINC000587779277	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncnc2)N1	ZINC000587779350	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncnc2)N1	ZINC000587779353	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cncnc2)N1	ZINC000587779355	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cncnc2)N1	ZINC000587779357	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)OCCO3	ZINC000587779688	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1	ZINC000587779693	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1	ZINC000587779694	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1	ZINC000587779716	EG	Annotated	Anodyne	
CCOc1ccccc1-c1cccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c1	ZINC000587779893	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1	ZINC000587779901	EG	Annotated	Anodyne	
CCOc1ccccc1-c1cccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c1	ZINC000587779906	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1	ZINC000587779914	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncnc2)N1	ZINC000587779938	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncnc2)N1	ZINC000587779939	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cncnc2)N1	ZINC000587779941	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cncnc2)N1	ZINC000587779943	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2cc(Cl)nc(C#N)c2[nH]1	ZINC000587780642	EG	Annotated	Mild	
CCOc1ccccc1OCc1nc2nc(Br)c[nH]c-2n1	ZINC000587780693	EG	Annotated	Anodyne	
CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3	ZINC000587780822	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1	ZINC000587780872	EG	Annotated	Anodyne	
CN(C)C(=O)c1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1	ZINC000587780873	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(COC/C=C\c4ccccc4)nc3cc2N1	ZINC000587781023	EG	Annotated	Anodyne	
O=C1COc2cc3[nH]c(COC/C=C/c4ccccc4)nc3cc2N1	ZINC000587781028	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(COC/C=C\c3ccccc3)[nH]c2n1	ZINC000587781216	EG	Annotated	Anodyne	
O=C(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)OCc1ccccc1	ZINC000587781223	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(COC/C=C/c3ccccc3)[nH]c2n1	ZINC000587781294	EG	Annotated	Anodyne	
Brc1c[nH]c2nc(COC/C=C\c3ccccc3)nc-2n1	ZINC000587781381	EG	Annotated	Anodyne	
Brc1c[nH]c2nc(COC/C=C/c3ccccc3)nc-2n1	ZINC000587781385	EG	Annotated	Anodyne	
O=C(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)OCc1ccccc1	ZINC000587781438	EG	Annotated	Anodyne	
O=C(Cc1nc2cc(Br)cnc2[nH]1)OCc1ccccc1	ZINC000587781575	EG	Annotated	Anodyne	
O=C(Cc1nc2cc3c(cc2[nH]1)OCCCO3)OCc1ccccc1	ZINC000587781576	EG	Annotated	Anodyne	
N=c1[nH]ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12	ZINC000587781843	EG	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)cc1-c1nc2c(O)ncnc2[nH]1	ZINC000587781905	EG	Annotated	Anodyne	
O=C(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCc1ccccc1	ZINC000587781984	EG	Annotated	Bother	
Cc1cc2[nH]c(CC(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-]	ZINC000587782084	EG	Annotated	Bother	
O=C(Cc1nc2ccnc(Br)c2[nH]1)OCc1ccccc1	ZINC000587782280	EG	Annotated	Anodyne	
COc1cccc(OCc2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)c1	ZINC000587782302	EG	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1	ZINC000587782414	EG	Annotated	Mild	
O=C(Cc1nc2ccc(Br)nc2[nH]1)OCc1ccccc1	ZINC000587782434	EG	Annotated	Anodyne	
O=C(Cc1nc2cncc(Br)c2[nH]1)OCc1ccccc1	ZINC000587782443	EG	Annotated	Anodyne	
Nc1ccnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12	ZINC000587782470	EG	Annotated	Anodyne	
N=c1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c[nH]1	ZINC000587782526	EG	Annotated	Anodyne	
O=C(Cc1nc2cc(Br)ncc2[nH]1)OCc1ccccc1	ZINC000587782686	EG	Annotated	Anodyne	
COc1cccc(OCc2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)c1	ZINC000587782708	EG	Annotated	Anodyne	
O=C(Cc1nc2c(Br)ccnc2[nH]1)OCc1ccccc1	ZINC000587782844	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2c(Br)ccnc2[nH]1	ZINC000587782885	EG	Annotated	Anodyne	
Oc1ccc(OCc2ccccc2)cc1-c1nc2cnnc(O)c2[nH]1	ZINC000587783089	EG	Annotated	Anodyne	
Ic1ccc2nc(CCOCC3CC3)[nH]c2c1	ZINC000587783132	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2ccnc(Br)c2[nH]1	ZINC000587783212	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1	ZINC000587783258	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cncc(Br)c2[nH]1	ZINC000587783263	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587783328	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(Br)ncc2[nH]1	ZINC000587783343	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1	ZINC000587783361	EG	Annotated	Mild	
COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(C)c2[nH]1	ZINC000587783362	EG	Annotated	Anodyne	
Ic1cccc2nc(CCOCC3CC3)[nH]c12	ZINC000587783367	EG	Annotated	Anodyne	
O=C1c2ccccc2C(=O)c2c1ccc1nc(CCOCC3CC3)[nH]c21	ZINC000587783401	EG	Annotated	Clean	
COC(=O)C[C@H](C)Cc1nc2cc(C)cc(Br)c2[nH]1	ZINC000587783452	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2ccc(Br)nc2[nH]1	ZINC000587783536	EG	Annotated	Anodyne	
Clc1c(Br)cnc2[nH]c(CCOCC3CC3)nc12	ZINC000587783633	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587783652	EG	Annotated	Mild	
COC(=O)C[C@H](C)Cc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587783695	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2ccc(Br)c(C)c2[nH]1	ZINC000587783708	EG	Annotated	Anodyne	
COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1	ZINC000587783722	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587783739	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(Br)cc2nc(CCOCC3CC3)[nH]c12	ZINC000587783740	EG	Annotated	Bother	
O=[N+]([O-])c1c(Br)ccc2nc(CCOCC3CC3)[nH]c12	ZINC000587783913	EG	Annotated	Bother	
N=c1[nH]cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2[nH]1	ZINC000587783927	EG	Annotated	Anodyne	
N=c1[nH]cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2[nH]1	ZINC000587783928	EG	Annotated	Anodyne	
COc1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc(OC)c1O	ZINC000587784179	EG	Annotated	Mild	
Clc1ncc(Br)c2nc(CCOCC3CC3)[nH]c12	ZINC000587784310	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(O)c1O	ZINC000587784627	EG	Annotated	Clean	
COc1cc(/C=C\c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(O)c1O	ZINC000587784628	EG	Annotated	Clean	
COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1C	ZINC000587784741	EG	Annotated	Clean	
COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1C	ZINC000587784743	EG	Annotated	Clean	
COC(=O)C[C@H](C)Cc1nc2ccc(Br)c(F)c2[nH]1	ZINC000587784759	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2cc(F)cc(Br)c2[nH]1	ZINC000587785110	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2ccc(F)c(Br)c2[nH]1	ZINC000587785131	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2cc(Br)c(F)c(F)c2[nH]1	ZINC000587785144	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2cc(Br)c(F)cc2[nH]1	ZINC000587785346	EG	Annotated	Anodyne	
COc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1C	ZINC000587785506	EG	Annotated	Anodyne	
COc1cccc(-c2nc3c(F)cnc(Br)c3[nH]2)c1O	ZINC000587785564	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(O)c1O	ZINC000587785587	EG	Annotated	Clean	
COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(O)c1O	ZINC000587785595	EG	Annotated	Clean	
COc1ccc(C=O)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1	ZINC000587785722	EG	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cncc(Br)c2[nH]1	ZINC000587785757	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(F)c2[nH]1	ZINC000587785771	EG	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2cc(C#N)c(C#N)cc2[nH]1	ZINC000587785776	EG	Annotated	Mild	
COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)OCO3	ZINC000587785810	EG	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2cccc(C(=O)O)c2[nH]1	ZINC000587785822	EG	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2ccnc(OC)c2[nH]1	ZINC000587785866	EG	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(=O)O)cc2[nH]1	ZINC000587785913	EG	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2cc(Br)ncc2[nH]1	ZINC000587785961	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(O)c1O	ZINC000587785962	EG	Annotated	Clean	
COc1ccc(C)cc1C(=O)CCc1nc2c(Cl)ncnc2[nH]1	ZINC000587785967	EG	Annotated	Anodyne	
COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(O)c1O	ZINC000587785969	EG	Annotated	Clean	
COc1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(OC)c1C	ZINC000587786004	EG	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)cc1O	ZINC000587786055	EG	Annotated	Anodyne	
COc1cc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2cc1F	ZINC000587786153	EG	Annotated	Anodyne	
COc1cc(OC)c2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2c1	ZINC000587786173	EG	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)cc1O	ZINC000587786272	EG	Annotated	Anodyne	
COc1cccc(C)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587786282	EG	Annotated	Bother	
COc1cc(/C=C\c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(O)c1O	ZINC000587786284	EG	Annotated	Mild	
COc1cc(/C=C/c2nc3cc(Cl)nc(C#N)c3[nH]2)cc(O)c1O	ZINC000587786298	EG	Annotated	Mild	
COc1ccc(C)cc1C(=O)CCc1nc2nc(Cl)c[nH]c-2n1	ZINC000587786310	EG	Annotated	Anodyne	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C=O)ccc3OC)nc2c1	ZINC000587786318	EG	Annotated	Anodyne	
COc1cccc(C)c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1	ZINC000587786360	EG	Annotated	Anodyne	
COc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1F	ZINC000587786389	EG	Annotated	Clean	
COc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1F	ZINC000587786392	EG	Annotated	Clean	
COc1cc(/C=C\c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(O)c1O	ZINC000587786528	EG	Annotated	Clean	
COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(O)c1O	ZINC000587786529	EG	Annotated	Clean	
COC(=O)C[C@H](C)Cc1nc2c3cccnc3c3ncccc3c2[nH]1	ZINC000587786551	EG	Annotated	Bother	
COc1ccc(C)cc1C(=O)CCc1nc2cnc(Cl)[nH]c-2n1	ZINC000587786562	EG	Annotated	Anodyne	
COc1ccc(C=O)c(-c2nc3c(Cl)ncc(F)c3[nH]2)c1OC	ZINC000587786623	EG	Annotated	Anodyne	
COc1ccc(C=O)c(-c2nc3c(Cl)ncc(C)c3[nH]2)c1OC	ZINC000587786661	EG	Annotated	Anodyne	
COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(OC)c1C	ZINC000587786770	EG	Annotated	Anodyne	
COc1cc(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)cc(O)c1O	ZINC000587786780	EG	Annotated	Clean	
COc1cc(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)cc(O)c1O	ZINC000587786782	EG	Annotated	Clean	
COC(=O)c1ccc2nc(-c3c(C)cccc3OC)[nH]c2c1OC	ZINC000587787133	EG	Annotated	Anodyne	
COc1ccc(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)cc1O	ZINC000587787169	EG	Annotated	Anodyne	
COc1ccc(C=O)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1OC	ZINC000587787215	EG	Annotated	Bother	
COc1ccc(C=O)c(-c2nc3c(F)c(F)c(F)cc3[nH]2)c1OC	ZINC000587787221	EG	Annotated	Anodyne	
COc1cc2nc(-c3c(C=O)ccc(OC)c3OC)[nH]c2cc1OC	ZINC000587787265	EG	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2ccnc(Br)c2[nH]1	ZINC000587787312	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(OC)c1C	ZINC000587787538	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(OC)c1C	ZINC000587787540	EG	Annotated	Anodyne	
COc1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1O	ZINC000587787754	EG	Annotated	Anodyne	
COc1ccc(C=O)cc1-c1nc2ccc(Br)nc2[nH]1	ZINC000587787919	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587787929	EG	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2cncc(OC)c2[nH]1	ZINC000587788066	EG	Annotated	Anodyne	
CCOC(=O)Cc1ccc2nc(-c3cc(C=O)ccc3OC)[nH]c2c1	ZINC000587788081	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(OC)c1C	ZINC000587788152	EG	Annotated	Anodyne	
COc1ccc(C)cc1C(=O)CCc1nc2ccc(CCO)cc2[nH]1	ZINC000587788192	EG	Annotated	Anodyne	
COc1cc2nc(CCC(=O)c3cc(C)ccc3OC)[nH]c2cn1	ZINC000587788196	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(OC)c1C	ZINC000587788205	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c12	ZINC000587788218	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(OC)c1C	ZINC000587788232	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(OC)c1C	ZINC000587788279	EG	Annotated	Anodyne	
COc1ccc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c(OC)c1C	ZINC000587788327	EG	Annotated	Mild	
COC(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587788758	EG	Annotated	Anodyne	
COC(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587788767	EG	Annotated	Anodyne	
COC(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587788768	EG	Annotated	Anodyne	
COC(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587788769	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(C#N)c2)N1	ZINC000587789083	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(C#N)c2)N1	ZINC000587789084	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(C#N)c2)N1	ZINC000587789085	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(C#N)c2)N1	ZINC000587789086	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCC[C@H]32)N1	ZINC000587789139	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CCC[C@@H]32)N1	ZINC000587789141	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCC[C@H]32)N1	ZINC000587789143	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CCC[C@@H]32)N1	ZINC000587789144	EG	Annotated	Anodyne	
CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1	ZINC000587789225	EG	Annotated	Anodyne	
CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1	ZINC000587789227	EG	Annotated	Anodyne	
CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1	ZINC000587789228	EG	Annotated	Anodyne	
CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1	ZINC000587789229	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNCC2)N1	ZINC000587789256	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCNCC2)N1	ZINC000587789286	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNCC2)N1	ZINC000587789287	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCNCC2)N1	ZINC000587789288	EG	Annotated	Anodyne	
Cc1cnc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1	ZINC000587789462	EG	Annotated	Anodyne	
Cc1cnc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1	ZINC000587789466	EG	Annotated	Anodyne	
Cc1cnc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]1	ZINC000587789468	EG	Annotated	Anodyne	
Cc1cnc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]1	ZINC000587789470	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587789565	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN[C@H](C)C2)N1	ZINC000587789566	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587789568	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN[C@H](C)C2)N1	ZINC000587789569	EG	Annotated	Anodyne	
COC[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587789635	EG	Annotated	Anodyne	
COC[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587789653	EG	Annotated	Anodyne	
COC[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587789657	EG	Annotated	Anodyne	
COC[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587789660	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587790205	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587790209	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587790211	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587790214	EG	Annotated	Anodyne	
COC(/C=C/[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587790245	EG	Annotated	Anodyne	
COC(/C=C/[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587790247	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)c1OC	ZINC000587790428	EG	Annotated	Mild	
COC(/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587790643	EG	Annotated	Anodyne	
COC(/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587790644	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587790689	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587790690	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587790691	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587790692	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3CCC2CC3)N1	ZINC000587790879	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3CCC2CC3)N1	ZINC000587790880	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN3CCC2CC3)N1	ZINC000587790881	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN3CCC2CC3)N1	ZINC000587790882	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnnc2)N1	ZINC000587791002	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnnc2)N1	ZINC000587791004	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccnnc2)N1	ZINC000587791006	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccnnc2)N1	ZINC000587791008	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCNCC2)N1	ZINC000587791033	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCNCC2)N1	ZINC000587791034	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCNCC2)N1	ZINC000587791035	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCNCC2)N1	ZINC000587791037	EG	Annotated	Anodyne	
COC[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791463	EG	Annotated	Anodyne	
COC[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791464	EG	Annotated	Anodyne	
COC[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791465	EG	Annotated	Anodyne	
COC[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791466	EG	Annotated	Anodyne	
CC[C@]1(c2cn[nH]c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791541	EG	Annotated	Anodyne	
CC[C@@]1(c2cn[nH]c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791552	EG	Annotated	Anodyne	
CC[C@]1(c2cn[nH]c2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791554	EG	Annotated	Anodyne	
CC[C@@]1(c2cn[nH]c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587791557	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CC[C@H]2C3)N1	ZINC000587791687	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CC[C@H]2C3)N1	ZINC000587791690	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN3CC[C@H]2C3)N1	ZINC000587791693	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN3CC[C@H]2C3)N1	ZINC000587791695	EG	Annotated	Anodyne	
COc1ccc(C=O)c(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)c1OC	ZINC000587791724	EG	Annotated	Bother	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CC[C@H]2C3)N1	ZINC000587791771	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CC[C@H]2C3)N1	ZINC000587791773	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CC[C@H]2C3)N1	ZINC000587791775	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CC[C@H]2C3)N1	ZINC000587791776	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnn2)N1	ZINC000587791810	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnn2)N1	ZINC000587791812	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccnn2)N1	ZINC000587791814	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccnn2)N1	ZINC000587791815	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCC[C@@H]32)N1	ZINC000587791820	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCC[C@H]32)N1	ZINC000587791821	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN3CCC[C@@H]32)N1	ZINC000587791822	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN3CCC[C@H]32)N1	ZINC000587791824	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792083	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792088	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792091	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587792094	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCCN2)N1	ZINC000587792206	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCCN2)N1	ZINC000587792207	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCCN2)N1	ZINC000587792208	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCCN2)N1	ZINC000587792209	EG	Annotated	Anodyne	
CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1	ZINC000587792260	EG	Annotated	Anodyne	
CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1	ZINC000587792261	EG	Annotated	Anodyne	
CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1	ZINC000587792263	EG	Annotated	Anodyne	
CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1	ZINC000587792265	EG	Annotated	Anodyne	
COC(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587792754	EG	Annotated	Anodyne	
COC(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587792755	EG	Annotated	Anodyne	
COC(C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587792756	EG	Annotated	Anodyne	
COC(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC	ZINC000587792757	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCN2)N1	ZINC000587792892	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCN2)N1	ZINC000587792895	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCN2)N1	ZINC000587792898	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCN2)N1	ZINC000587792900	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNCC2(C)C)N1	ZINC000587792985	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNCC2(C)C)N1	ZINC000587792988	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNCC2(C)C)N1	ZINC000587792990	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNCC2(C)C)N1	ZINC000587792992	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587793275	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587793276	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587793277	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3CC[C@H]2N3)N1	ZINC000587793278	EG	Annotated	Anodyne	
C#CCCOC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793512	EG	Annotated	Mild	
C#CCCOC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793513	EG	Annotated	Mild	
C#CCCOC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793514	EG	Annotated	Mild	
C#CCCOC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587793515	EG	Annotated	Mild	
C#CCCOC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793524	EG	Annotated	Mild	
C#CCCOC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793525	EG	Annotated	Mild	
C#CCCOC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793526	EG	Annotated	Mild	
C#CCCOC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587793527	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNCC2)N1	ZINC000587793716	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCNCC2)N1	ZINC000587793717	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNCC2)N1	ZINC000587793718	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCNCC2)N1	ZINC000587793719	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794216	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794239	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794240	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794241	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCNCC2)N1	ZINC000587794288	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCNCC2)N1	ZINC000587794289	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCNCC2)N1	ZINC000587794290	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCNCC2)N1	ZINC000587794291	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCN2)N1	ZINC000587794352	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCN2)N1	ZINC000587794353	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCN2)N1	ZINC000587794355	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCN2)N1	ZINC000587794357	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnnc2)N1	ZINC000587794412	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnnc2)N1	ZINC000587794414	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccnnc2)N1	ZINC000587794416	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccnnc2)N1	ZINC000587794417	EG	Annotated	Anodyne	
Cc1nonc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794592	EG	Annotated	Anodyne	
Cc1nonc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794598	EG	Annotated	Anodyne	
Cc1nonc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794600	EG	Annotated	Anodyne	
Cc1nonc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587794603	EG	Annotated	Anodyne	
COC(C)(OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795034	EG	Annotated	Anodyne	
COC(C)(OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795036	EG	Annotated	Anodyne	
COC(C)(OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795037	EG	Annotated	Anodyne	
COC(C)(OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587795039	EG	Annotated	Anodyne	
CC[C@]1(c2cn[nH]c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795111	EG	Annotated	Anodyne	
CC[C@@]1(c2cn[nH]c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795114	EG	Annotated	Anodyne	
COC(C)(OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795116	EG	Annotated	Anodyne	
CC[C@]1(c2cn[nH]c2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795117	EG	Annotated	Anodyne	
COC(C)(OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795119	EG	Annotated	Anodyne	
CC[C@@]1(c2cn[nH]c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795120	EG	Annotated	Anodyne	
COC(C)(OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795122	EG	Annotated	Anodyne	
COC(C)(OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795124	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNCC2(C)C)N1	ZINC000587795205	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNCC2(C)C)N1	ZINC000587795208	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNCC2(C)C)N1	ZINC000587795211	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNCC2(C)C)N1	ZINC000587795214	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(C#N)c2)N1	ZINC000587795460	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(C#N)c2)N1	ZINC000587795461	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(C#N)c2)N1	ZINC000587795463	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(C#N)c2)N1	ZINC000587795465	EG	Annotated	Mild	
Cc1cnc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1	ZINC000587795546	EG	Annotated	Anodyne	
Cc1cnc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1	ZINC000587795547	EG	Annotated	Anodyne	
Cc1cnc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]1	ZINC000587795548	EG	Annotated	Anodyne	
Cc1cnc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]1	ZINC000587795549	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795580	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795581	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795582	EG	Annotated	Anodyne	
CC(=O)O[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587795583	EG	Annotated	Anodyne	
C[C@@H]1CC2(C[C@@H](C)N1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795769	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H](C)N[C@H](C)C2)N1	ZINC000587795787	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795790	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587795793	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3CCC2CC3)N1	ZINC000587795911	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3CCC2CC3)N1	ZINC000587795915	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN3CCC2CC3)N1	ZINC000587795920	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN3CCC2CC3)N1	ZINC000587795923	EG	Annotated	Anodyne	
Cc1nonc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796177	EG	Annotated	Anodyne	
Cc1nonc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796178	EG	Annotated	Anodyne	
Cc1nonc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796180	EG	Annotated	Anodyne	
Cc1nonc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587796182	EG	Annotated	Anodyne	
COC(/C=C/[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587796688	EG	Annotated	Anodyne	
COC(/C=C/[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587796689	EG	Annotated	Anodyne	
COC(/C=C/[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587796690	EG	Annotated	Anodyne	
COC(/C=C/[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)OC	ZINC000587796691	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3)N1	ZINC000587796700	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3)N1	ZINC000587796701	EG	Annotated	Anodyne	
C[C@@H]1CC2(C[C@@H](C)N1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587797234	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H](C)N[C@H](C)C2)N1	ZINC000587797235	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587797236	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(C[C@@H](C)N1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587797237	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCCN2)N1	ZINC000587797314	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCCN2)N1	ZINC000587797315	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCCN2)N1	ZINC000587797317	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCCN2)N1	ZINC000587797318	EG	Annotated	Anodyne	
C[C@@H]1C[C@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587797332	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN[C@H](C)C2)N1	ZINC000587797334	EG	Annotated	Anodyne	
C[C@@H]1C[C@@]2(CCN1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587797337	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN[C@H](C)C2)N1	ZINC000587797338	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3)N1	ZINC000587797414	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3)N1	ZINC000587797416	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797440	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797441	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797443	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587797445	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587797658	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587797660	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587797661	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587797663	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCCNC2)N1	ZINC000587798066	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCCNC2)N1	ZINC000587798069	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCCNC2)N1	ZINC000587798071	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCCNC2)N1	ZINC000587798074	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnn2)N1	ZINC000587798904	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnn2)N1	ZINC000587798905	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccnn2)N1	ZINC000587798906	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccnn2)N1	ZINC000587798907	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798958	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798959	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798960	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587798961	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799159	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799160	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799412	EG	Annotated	Anodyne	
Cc1n[nH]cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587799413	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799940	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799941	EG	Annotated	Anodyne	
CCOC(=O)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799942	EG	Annotated	Anodyne	
CCOC(=O)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587799943	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCCNC2)N1	ZINC000587800100	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCCNC2)N1	ZINC000587800101	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCCNC2)N1	ZINC000587800102	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCCNC2)N1	ZINC000587800103	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800272	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800273	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800274	EG	Annotated	Anodyne	
CCOC(=O)[C@H](C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800275	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800756	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800757	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800758	EG	Annotated	Anodyne	
CCOC(=O)/C=C/[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800759	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800784	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800785	EG	Annotated	Anodyne	
CCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800786	EG	Annotated	Anodyne	
CCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587800787	EG	Annotated	Anodyne	
COC(=O)CC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803381	EG	Annotated	Anodyne	
COC(=O)CC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803382	EG	Annotated	Anodyne	
COC(=O)CC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803383	EG	Annotated	Anodyne	
COC(=O)CC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587803384	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804605	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804607	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804611	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804612	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804761	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804763	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804764	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804766	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804796	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804798	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804799	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587804801	EG	Annotated	Anodyne	
COC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805496	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805497	EG	Annotated	Anodyne	
COC(=O)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805499	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587805500	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806067	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806068	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806069	EG	Annotated	Anodyne	
COC(=O)C[C@H](C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806070	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806071	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806073	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806074	EG	Annotated	Anodyne	
COC(=O)[C@H](C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587806075	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807099	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807113	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807114	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587807117	EG	Annotated	Anodyne	
COC(=O)CC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807604	EG	Annotated	Anodyne	
COC(=O)CC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807605	EG	Annotated	Anodyne	
COC(=O)CC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807606	EG	Annotated	Anodyne	
COC(=O)CC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587807608	EG	Annotated	Anodyne	
COCOCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808103	EG	Annotated	Anodyne	
COCOCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808120	EG	Annotated	Anodyne	
COCOCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808122	EG	Annotated	Anodyne	
COCOCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808124	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808276	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808277	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808278	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808279	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808664	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808667	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808668	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808671	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587808673	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808675	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808678	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808680	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808683	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808684	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808687	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587808689	EG	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809061	EG	Annotated	Anodyne	
COC(=O)CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809062	EG	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809063	EG	Annotated	Anodyne	
COC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809064	EG	Annotated	Anodyne	
CC(=O)OC1CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587809077	EG	Annotated	Anodyne	
CC(=O)OC1CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587809079	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809582	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809586	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809590	EG	Annotated	Anodyne	
COC(=O)C(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587809592	EG	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810230	EG	Annotated	Anodyne	
COC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810231	EG	Annotated	Anodyne	
COC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810232	EG	Annotated	Anodyne	
COC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810233	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810638	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810640	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810643	EG	Annotated	Anodyne	
COC(=O)/C=C/[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587810645	EG	Annotated	Anodyne	
COCOCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810668	EG	Annotated	Anodyne	
COCOCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810670	EG	Annotated	Anodyne	
COCOCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810671	EG	Annotated	Anodyne	
COCOCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587810674	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811525	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811527	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811530	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811532	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811535	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811537	EG	Annotated	Anodyne	
COC[C@@H](C)OC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811539	EG	Annotated	Anodyne	
COC[C@H](C)OC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587811542	EG	Annotated	Anodyne	
COC(=O)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812566	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812567	EG	Annotated	Anodyne	
COC(=O)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812568	EG	Annotated	Anodyne	
COC(=O)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587812569	EG	Annotated	Anodyne	
CC(=O)OC1CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587813363	EG	Annotated	Anodyne	
CC(=O)OC1CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587813365	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)[C@@H]2C)N1	ZINC000587816557	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587816558	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)[C@@H]2C)N1	ZINC000587816559	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587816560	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CC=CC2=O)N1	ZINC000587816773	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CC=CC2=O)N1	ZINC000587816774	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=CC=CC2=O)N1	ZINC000587816775	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=CC=CC2=O)N1	ZINC000587816776	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(=O)CC2)N1	ZINC000587816943	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(=O)CC2)N1	ZINC000587816944	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587817327	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587817328	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587817329	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587817330	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2)N1	ZINC000587817343	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2)N1	ZINC000587817344	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)C2)N1	ZINC000587817345	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)C2)N1	ZINC000587817346	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=CCC2=O)N1	ZINC000587817347	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=CCC2=O)N1	ZINC000587817348	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=CCC2=O)N1	ZINC000587817349	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=CCC2=O)N1	ZINC000587817350	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)[C@@H]2C)N1	ZINC000587817365	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587817366	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)[C@@H]2C)N1	ZINC000587817367	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587817368	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CC=CC2=O)N1	ZINC000587817804	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CC=CC2=O)N1	ZINC000587817807	EG	Annotated	Mild	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=CC=CC2=O)N1	ZINC000587817810	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=CC=CC2=O)N1	ZINC000587817813	EG	Annotated	Mild	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2)N1	ZINC000587818316	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2)N1	ZINC000587818317	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)C2)N1	ZINC000587818318	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)C2)N1	ZINC000587818319	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC2=O)N1	ZINC000587818398	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC2=O)N1	ZINC000587818399	EG	Annotated	Anodyne	
C[C@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O	ZINC000587818410	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C)C2=O)N1	ZINC000587818411	EG	Annotated	Anodyne	
C[C@H]1CC[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O	ZINC000587818412	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C)C2=O)N1	ZINC000587818413	EG	Annotated	Anodyne	
CC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587818454	EG	Annotated	Mild	
CC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587818455	EG	Annotated	Mild	
CC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587818456	EG	Annotated	Mild	
CC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587818457	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCC2=O)N1	ZINC000587818600	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCC2=O)N1	ZINC000587818601	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(=O)CC2)N1	ZINC000587818932	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(=O)CC2)N1	ZINC000587818933	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=CCC2=O)N1	ZINC000587818960	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=CCC2=O)N1	ZINC000587818961	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=CCC2=O)N1	ZINC000587818962	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=CCC2=O)N1	ZINC000587818963	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC2=O)N1	ZINC000587819230	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC2=O)N1	ZINC000587819231	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCC2=O)N1	ZINC000587819232	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCC2=O)N1	ZINC000587819233	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587819951	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587819953	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587819954	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2CC3=O)N1	ZINC000587819955	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)CC2)N1	ZINC000587820160	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)CC2)N1	ZINC000587820165	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)CC2)N1	ZINC000587820167	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)CC2)N1	ZINC000587820168	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(=O)O)N1	ZINC000587820566	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(=O)O)N1	ZINC000587820567	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(=O)O)N1	ZINC000587820568	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(=O)O)N1	ZINC000587820569	EG	Annotated	Anodyne	
CC1=C[C@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587822276	EG	Annotated	Mild	
CC1=C[C@@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587822278	EG	Annotated	Mild	
CC1=C[C@]2(C=CC1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587822281	EG	Annotated	Mild	
CC1=C[C@@]2(C=CC1=O)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587822285	EG	Annotated	Mild	
C[C@H]1CCC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587822298	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CC[C@H]2C	ZINC000587822299	EG	Annotated	Anodyne	
C[C@H]1CCC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587822300	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CC[C@H]2C	ZINC000587822301	EG	Annotated	Anodyne	
CC1=CC(=O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587823990	EG	Annotated	Mild	
CC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587823991	EG	Annotated	Mild	
CC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587823993	EG	Annotated	Mild	
CC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587823994	EG	Annotated	Mild	
C[C@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O	ZINC000587824029	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C)C2=O)N1	ZINC000587824031	EG	Annotated	Anodyne	
C[C@H]1CC[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O	ZINC000587824033	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C)C2=O)N1	ZINC000587824035	EG	Annotated	Anodyne	
C[C@H]1CCC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824207	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)CC[C@H]2C	ZINC000587824208	EG	Annotated	Anodyne	
C[C@H]1CCC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824210	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)CC[C@H]2C	ZINC000587824211	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(CO)C2)N1	ZINC000587824525	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(CO)C2)N1	ZINC000587824532	EG	Annotated	Anodyne	
CC1=CC(=O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824613	EG	Annotated	Mild	
CC1=CC(=O)C=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824614	EG	Annotated	Mild	
CC1=CC(=O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824615	EG	Annotated	Mild	
CC1=CC(=O)C=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587824616	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(=O)O)CC2)N1	ZINC000587824953	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(C(=O)O)CC2)N1	ZINC000587824954	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(=O)O)CC2)N1	ZINC000587824955	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(C(=O)O)CC2)N1	ZINC000587824956	EG	Annotated	Anodyne	
CC(C)[C@]1(CCO)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587825110	EG	Annotated	Anodyne	
CC(C)[C@]1(CCO)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587825113	EG	Annotated	Anodyne	
CC(C)[C@@]1(CCO)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587825114	EG	Annotated	Anodyne	
CC(C)[C@@]1(CCO)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587825116	EG	Annotated	Anodyne	
CCC[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825208	EG	Annotated	Anodyne	
CCC[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825212	EG	Annotated	Anodyne	
CCC[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825214	EG	Annotated	Anodyne	
CCC[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825217	EG	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825434	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C)CC(=O)O)N1	ZINC000587825435	EG	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825436	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C)CC(=O)O)N1	ZINC000587825437	EG	Annotated	Anodyne	
C[C@H](O)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825693	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2CC2)([C@@H](C)O)N1	ZINC000587825694	EG	Annotated	Anodyne	
C[C@H](O)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587825695	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2CC2)([C@@H](C)O)N1	ZINC000587825696	EG	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587826141	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C)CC(=O)O)N1	ZINC000587826142	EG	Annotated	Anodyne	
C[C@@H](CC(=O)O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587826143	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C)CC(=O)O)N1	ZINC000587826144	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CO)N1	ZINC000587826279	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CO)N1	ZINC000587826280	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CO)N1	ZINC000587826281	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CO)N1	ZINC000587826282	EG	Annotated	Anodyne	
CC[C@H](C)[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587826442	EG	Annotated	Anodyne	
CC[C@H](C)[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587826444	EG	Annotated	Anodyne	
CC[C@H](C)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587826445	EG	Annotated	Anodyne	
CC[C@H](C)[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587826446	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)O)N1	ZINC000587826721	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)O)N1	ZINC000587826732	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(C)(C)O)N1	ZINC000587826734	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(C)(C)O)N1	ZINC000587826737	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C(=O)O)CC2)N1	ZINC000587827097	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C(=O)O)CC2)N1	ZINC000587827098	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C(=O)O)CC2)N1	ZINC000587827100	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C(=O)O)CC2)N1	ZINC000587827101	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587827278	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587827279	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587827281	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587827284	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(=O)O)CC2)N1	ZINC000587827402	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(C(=O)O)CC2)N1	ZINC000587827403	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(=O)O)CC2)N1	ZINC000587827404	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(C(=O)O)CC2)N1	ZINC000587827405	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C(=O)O)C2)N1	ZINC000587827706	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C(=O)O)C2)N1	ZINC000587827707	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587827967	EG	Annotated	Anodyne	
CC(C)C[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587827968	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587827969	EG	Annotated	Anodyne	
CC(C)C[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587827970	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587827999	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828000	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828001	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828002	EG	Annotated	Anodyne	
CC(C)[C@]1(CCO)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828178	EG	Annotated	Anodyne	
CC(C)[C@]1(CCO)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828179	EG	Annotated	Anodyne	
CC(C)[C@@]1(CCO)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828181	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(C)(C)C)N1	ZINC000587828243	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(C)(C)C)N1	ZINC000587828244	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(C(C)(C)C)N1	ZINC000587828245	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(C(C)(C)C)N1	ZINC000587828246	EG	Annotated	Anodyne	
CC(C)[C@@]1(CCO)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828290	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CO)N1	ZINC000587828291	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CO)N1	ZINC000587828292	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CO)N1	ZINC000587828294	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CO)N1	ZINC000587828295	EG	Annotated	Anodyne	
CC(C)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828297	EG	Annotated	Anodyne	
CC(C)[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828298	EG	Annotated	Anodyne	
CC(C)[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828300	EG	Annotated	Anodyne	
CC(C)[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587828302	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CO)o2)N1	ZINC000587828555	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CO)o2)N1	ZINC000587828556	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CO)o2)N1	ZINC000587828558	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CO)o2)N1	ZINC000587828560	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C(=O)O)CC2)N1	ZINC000587828676	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C(=O)O)CC2)N1	ZINC000587828678	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C(=O)O)CC2)N1	ZINC000587828682	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C(=O)O)CC2)N1	ZINC000587828684	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587828800	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587828802	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587828803	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587828805	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587828806	EG	Annotated	Anodyne	
CC(C)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587828825	EG	Annotated	Anodyne	
CC(C)[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587828826	EG	Annotated	Anodyne	
CC(C)[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587828827	EG	Annotated	Anodyne	
CC1=C[C@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587828894	EG	Annotated	Anodyne	
CC1=C[C@@]2(CC(=O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587828895	EG	Annotated	Anodyne	
CC1=C[C@@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587828896	EG	Annotated	Anodyne	
CC1=C[C@]2(CC(=O)O1)N[C@@H](C)Cc1ccc(F)c(Br)c12	ZINC000587828897	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587829019	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)O)N1	ZINC000587829033	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)O)N1	ZINC000587829035	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(C)(C)O)N1	ZINC000587829037	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(C)(C)O)N1	ZINC000587829038	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(CO)C2)N1	ZINC000587829055	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(CO)C2)N1	ZINC000587829056	EG	Annotated	Anodyne	
CC(C)[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829060	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C(=O)O)C2)N1	ZINC000587829096	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C(=O)O)C2)N1	ZINC000587829097	EG	Annotated	Anodyne	
C[C@H](O)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829122	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2CC2)([C@@H](C)O)N1	ZINC000587829124	EG	Annotated	Anodyne	
C[C@H](O)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829126	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2CC2)([C@@H](C)O)N1	ZINC000587829128	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)CC2)N1	ZINC000587829459	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)CC2)N1	ZINC000587829460	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)CC2)N1	ZINC000587829461	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)CC2)N1	ZINC000587829462	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587829535	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587829536	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587829538	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587829539	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)C2)N1	ZINC000587829541	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587829543	EG	Annotated	Anodyne	
CCC[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829604	EG	Annotated	Anodyne	
CCC[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829605	EG	Annotated	Anodyne	
CCC[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829606	EG	Annotated	Anodyne	
CCC[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587829607	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(C)(C)C)N1	ZINC000587830186	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(C)(C)C)N1	ZINC000587830187	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(C(C)(C)C)N1	ZINC000587830189	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(C(C)(C)C)N1	ZINC000587830191	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(=O)O)N1	ZINC000587830251	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(=O)O)N1	ZINC000587830252	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(=O)O)N1	ZINC000587830254	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(=O)O)N1	ZINC000587830256	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(COC(C)(C)OC2)N1	ZINC000587830335	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(COC(C)(C)OC2)N1	ZINC000587830341	EG	Annotated	Anodyne	
C[C@@H](C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O	ZINC000587830544	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H](C)C(=O)O)N1	ZINC000587830546	EG	Annotated	Anodyne	
C[C@@H](C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)O	ZINC000587830548	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](C)C(=O)O)N1	ZINC000587830549	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587830575	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587830578	EG	Annotated	Anodyne	
C[C@@H](C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O	ZINC000587830583	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H](C)C(=O)O)N1	ZINC000587830585	EG	Annotated	Anodyne	
C[C@@H](C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)O	ZINC000587830588	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](C)C(=O)O)N1	ZINC000587830590	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)CC2)N1	ZINC000587830619	EG	Annotated	Anodyne	
CC[C@H](C)[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830628	EG	Annotated	Anodyne	
CC[C@H](C)[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830629	EG	Annotated	Anodyne	
CC[C@H](C)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830630	EG	Annotated	Anodyne	
CC[C@H](C)[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587830631	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(O)CC2)N1	ZINC000587830633	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831248	EG	Annotated	Anodyne	
CC(C)C[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831251	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831254	EG	Annotated	Anodyne	
CC(C)C[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587831257	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587831387	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587831389	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587831391	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C[C@H]2CC3=O)N1	ZINC000587831393	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CO)o2)N1	ZINC000587831433	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CO)o2)N1	ZINC000587831434	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CO)o2)N1	ZINC000587831435	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CO)o2)N1	ZINC000587831436	EG	Annotated	Anodyne	
CC1=C[C@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587831628	EG	Annotated	Anodyne	
CC1=C[C@@]2(CC(=O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587831629	EG	Annotated	Anodyne	
CC1=C[C@@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587831630	EG	Annotated	Anodyne	
CC1=C[C@]2(CC(=O)O1)N[C@@H](C)Cc1cc(Br)c(F)cc12	ZINC000587831631	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587831743	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)C2)N1	ZINC000587831747	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](O)[C@H](C)C2)N1	ZINC000587831779	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](O)[C@H](C)C2)N1	ZINC000587831785	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CC[C@@H]1O)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587831788	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CC[C@H]1O)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587831791	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2[C@H]3COC[C@H]23)N1	ZINC000587832021	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2[C@@H]3COC[C@@H]32)N1	ZINC000587832034	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2[C@@H]3COC[C@@H]32)N1	ZINC000587832036	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2[C@@H]3COC[C@@H]23)N1	ZINC000587832037	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832613	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832614	EG	Annotated	Anodyne	
CC[C@@]1(CC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832616	EG	Annotated	Anodyne	
CC[C@]1(CC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587832617	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CCOC2)N1	ZINC000587832782	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CCOC2)N1	ZINC000587832783	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CCOC2)N1	ZINC000587832785	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CCOC2)N1	ZINC000587832786	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](O)C2(C)C)N1	ZINC000587832976	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](O)C2(C)C)N1	ZINC000587832977	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](O)C2(C)C)N1	ZINC000587832978	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](O)C2(C)C)N1	ZINC000587832979	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587833138	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CCOC2)N1	ZINC000587833139	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)O[C@H](C)C2)N1	ZINC000587833140	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CCOC2)N1	ZINC000587833141	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CCOC2)N1	ZINC000587833143	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CC(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587833144	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CCOC2)N1	ZINC000587833145	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)O[C@H](C)C2)N1	ZINC000587833147	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCO2)N1	ZINC000587833317	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCO2)N1	ZINC000587833318	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=COCCO2)N1	ZINC000587833319	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=COCCO2)N1	ZINC000587833320	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=COCCO2)N1	ZINC000587833520	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=COCCO2)N1	ZINC000587833530	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=COCCO2)N1	ZINC000587833532	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=COCCO2)N1	ZINC000587833535	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=COCCO2)N1	ZINC000587833613	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=COCCO2)N1	ZINC000587833615	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=COCCO2)N1	ZINC000587833617	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=COCCO2)N1	ZINC000587833618	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)COC2)N1	ZINC000587833720	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)COC2)N1	ZINC000587833723	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2(C)COC2)N1	ZINC000587833725	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2(C)COC2)N1	ZINC000587833727	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)CC2)N1	ZINC000587833776	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(O)CC2)N1	ZINC000587833779	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2[C@@H]3COC[C@@H]32)N1	ZINC000587833811	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2[C@@H]3COC[C@@H]32)N1	ZINC000587833813	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2[C@@H]3COC[C@@H]23)N1	ZINC000587833814	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2[C@H]3COC[C@H]23)N1	ZINC000587833815	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(COC(C)(C)OC2)N1	ZINC000587834147	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(COC(C)(C)OC2)N1	ZINC000587834148	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)COC2)N1	ZINC000587834304	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)COC2)N1	ZINC000587834305	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2(C)COC2)N1	ZINC000587834307	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2(C)COC2)N1	ZINC000587834310	EG	Annotated	Anodyne	
C[C@H]1C[C@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587834364	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)O[C@H](C)C2)N1	ZINC000587834365	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CC(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587834367	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)O[C@H](C)C2)N1	ZINC000587834369	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](O)C2(C)C)N1	ZINC000587834427	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](O)C2(C)C)N1	ZINC000587834428	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](O)C2(C)C)N1	ZINC000587834429	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](O)C2(C)C)N1	ZINC000587834430	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](O)[C@H](C)C2)N1	ZINC000587834582	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CC[C@H]1O)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587834583	EG	Annotated	Anodyne	
C[C@H]1C[C@@]2(CC[C@@H]1O)N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587834585	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](O)[C@H](C)C2)N1	ZINC000587834587	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCO2)N1	ZINC000587834933	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=COCCO2)N1	ZINC000587834934	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=COCCO2)N1	ZINC000587834935	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=COCCO2)N1	ZINC000587834937	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2COC2)N1	ZINC000587835202	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2COC2)N1	ZINC000587835203	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC2COC2)N1	ZINC000587835205	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC2COC2)N1	ZINC000587835206	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587835818	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2C)N1	ZINC000587835820	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12	ZINC000587835821	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@@H]2C)N1	ZINC000587835823	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587836093	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2C)N1	ZINC000587836094	EG	Annotated	Anodyne	
C[C@@H]1COCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12	ZINC000587836097	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@@H]2C)N1	ZINC000587836098	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC3(COC3)C2)N1	ZINC000587836467	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(CC3(COC3)C2)N1	ZINC000587836468	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC3(COC3)C2)N1	ZINC000587836530	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(CC3(COC3)C2)N1	ZINC000587836531	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2COC2)N1	ZINC000587837097	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2COC2)N1	ZINC000587837098	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC2COC2)N1	ZINC000587837099	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC2COC2)N1	ZINC000587837100	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837335	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837336	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837337	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837338	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837685	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837686	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837687	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CCO[C@@H]32)N1	ZINC000587837688	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC(C)(C)O2)N1	ZINC000587838899	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC(C)(C)O2)N1	ZINC000587838901	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC(C)(C)O2)N1	ZINC000587838902	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC(C)(C)O2)N1	ZINC000587838903	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3C=C[C@@H](C2)O3)N1	ZINC000587840072	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@H]3C=C[C@@H](C2)O3)N1	ZINC000587840073	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3O[C@H]32)N1	ZINC000587840914	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]3O[C@@H]32)N1	ZINC000587840915	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3O[C@@H]32)N1	ZINC000587840916	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]3O[C@H]32)N1	ZINC000587840917	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3C=C[C@@H](C2)O3)N1	ZINC000587842099	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@H]3C=C[C@@H](C2)O3)N1	ZINC000587842100	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC(C)(C)O2)N1	ZINC000587842605	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC(C)(C)O2)N1	ZINC000587842607	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC(C)(C)O2)N1	ZINC000587842609	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC(C)(C)O2)N1	ZINC000587842610	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3O[C@@H]32)N1	ZINC000587844822	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3O[C@@H]32)N1	ZINC000587844823	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]3O[C@H]32)N1	ZINC000587844824	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]3O[C@H]32)N1	ZINC000587844825	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587846375	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587846376	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587846377	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587846378	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587850596	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587850597	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587850598	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COC(C)(C)O2)N1	ZINC000587850599	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)s2)N1	ZINC000587851438	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)s2)N1	ZINC000587851471	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)s2)N1	ZINC000587851473	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)s2)N1	ZINC000587851474	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)s2)N1	ZINC000587852960	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)s2)N1	ZINC000587852961	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)s2)N1	ZINC000587852962	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)s2)N1	ZINC000587852963	EG	Annotated	Anodyne	
Cc1nnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587853743	EG	Annotated	Anodyne	
Cc1nnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587853756	EG	Annotated	Anodyne	
Cc1nnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587853759	EG	Annotated	Anodyne	
Cc1nnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1	ZINC000587853762	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(=N)s2)N1	ZINC000587853810	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(=N)s2)N1	ZINC000587853815	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(=N)s2)N1	ZINC000587853817	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(=N)s2)N1	ZINC000587853819	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=NCCS2)N1	ZINC000587853851	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=NCCS2)N1	ZINC000587853882	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C2=NCCS2)N1	ZINC000587853884	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C2=NCCS2)N1	ZINC000587853886	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csnn2)N1	ZINC000587854018	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csnn2)N1	ZINC000587854019	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csnn2)N1	ZINC000587854020	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csnn2)N1	ZINC000587854021	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(=N)s2)N1	ZINC000587854573	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(=N)s2)N1	ZINC000587854576	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(=N)s2)N1	ZINC000587854578	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(=N)s2)N1	ZINC000587854580	EG	Annotated	Anodyne	
Cc1nnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854678	EG	Annotated	Anodyne	
Cc1nnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854679	EG	Annotated	Anodyne	
Cc1nnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854680	EG	Annotated	Anodyne	
Cc1nnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1	ZINC000587854681	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnns2)N1	ZINC000587854946	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnns2)N1	ZINC000587854953	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnns2)N1	ZINC000587854957	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnns2)N1	ZINC000587854960	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(=O)C2)N1	ZINC000587855047	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(=O)C2)N1	ZINC000587855065	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CSCC(=O)C2)N1	ZINC000587855067	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSCC(=O)C2)N1	ZINC000587855068	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@@H]2C#N)N1	ZINC000587855099	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSC[C@H]2C#N)N1	ZINC000587855102	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@H]2C#N)N1	ZINC000587855103	EG	Annotated	Mild	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSC[C@@H]2C#N)N1	ZINC000587855104	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csnn2)N1	ZINC000587856524	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csnn2)N1	ZINC000587856525	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csnn2)N1	ZINC000587856527	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csnn2)N1	ZINC000587856529	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(=O)C2)N1	ZINC000587857049	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(=O)C2)N1	ZINC000587857053	EG	Annotated	Anodyne	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CSCC(=O)C2)N1	ZINC000587857056	EG	Annotated	Anodyne	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CSCC(=O)C2)N1	ZINC000587857060	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@@H]2C#N)N1	ZINC000587857078	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CSC[C@H]2C#N)N1	ZINC000587857081	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@H]2C#N)N1	ZINC000587857085	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CSC[C@@H]2C#N)N1	ZINC000587857088	EG	Annotated	Mild	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=NCCS2)N1	ZINC000587857588	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=NCCS2)N1	ZINC000587857589	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C2=NCCS2)N1	ZINC000587857591	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C2=NCCS2)N1	ZINC000587857592	EG	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCO	ZINC000587858058	EG	Annotated	Anodyne	
Cc1nnsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587858212	EG	Annotated	Anodyne	
Cc1nnsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587858214	EG	Annotated	Anodyne	
Cc1nnsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	ZINC000587858216	EG	Annotated	Anodyne	
Cc1nnsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	ZINC000587858218	EG	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN(C)C	ZINC000587859156	EG	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NCCN1	ZINC000587859193	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnns2)N1	ZINC000587859697	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnns2)N1	ZINC000587859698	EG	Annotated	Anodyne	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnns2)N1	ZINC000587859699	EG	Annotated	Anodyne	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnns2)N1	ZINC000587859700	EG	Annotated	Anodyne	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=NCCCN1	ZINC000587859736	EG	Annotated	Anodyne	
Cc1nnsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587859943	EG	Annotated	Anodyne	
Cc1nnsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587859944	EG	Annotated	Anodyne	
Cc1nnsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	ZINC000587859945	EG	Annotated	Anodyne	
Cc1nnsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	ZINC000587859946	EG	Annotated	Anodyne	
CCOCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587861663	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ncccn1	ZINC000587861758	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccon1	ZINC000587861848	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1ccncn1	ZINC000587862199	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccnn1	ZINC000587862202	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN(C)C	ZINC000587862319	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCOC1	ZINC000587862350	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCOC1	ZINC000587862351	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)OC	ZINC000587862413	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)OC	ZINC000587862414	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cocn1	ZINC000587862440	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(O)ncn1	ZINC000587862468	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncn1	ZINC000587862521	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnccn1	ZINC000587862545	EG	Annotated	Anodyne	
CCNCCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587862639	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cnccn1	ZINC000587862695	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnco1	ZINC000587862828	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)N(C)C	ZINC000587863007	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ncccn1	ZINC000587863078	EG	Annotated	Anodyne	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(O)n1	ZINC000587863131	EG	Annotated	Anodyne	
C=CCNC(=S)n1nc(-c2ccccc2C(F)(F)F)cc1OC	ZINC000587863140	EG	Annotated	Mild	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)(C)O	ZINC000587863844	EG	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COC	ZINC000587864504	EG	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCO	ZINC000587864768	EG	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC	ZINC000587866416	EG	Annotated	Anodyne	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NCCCN1	ZINC000587866897	EG	Annotated	Anodyne	
C=C(c1cnccn1)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587867266	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccn1	ZINC000587867334	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1CC1	ZINC000587867348	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccnc1	ZINC000587867361	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(F)n1	ZINC000587867405	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccncc1	ZINC000587867509	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1ccccn1	ZINC000587867539	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(F)c1	ZINC000587867558	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@H]1CCC[C@H]1O	ZINC000587867773	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCOCC1	ZINC000587867790	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C#N)n1	ZINC000587867799	EG	Annotated	Mild	
CCCCNC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587867802	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1[C@@H]1CCCC[C@H]1O	ZINC000587867812	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1oc(C)nc1C#N	ZINC000587867853	EG	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)ncn1	ZINC000587867875	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc(O)c1	ZINC000587868081	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccoc1	ZINC000587868105	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C)nc(C)n1	ZINC000587868124	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COC(C)C	ZINC000587868128	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)cn1	ZINC000587868162	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C)nn1	ZINC000587868182	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(C)cc1N	ZINC000587868227	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1F	ZINC000587868300	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccnc1C	ZINC000587868493	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCC1	ZINC000587868682	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(F)(F)F	ZINC000587868691	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C#N)cn1	ZINC000587868700	EG	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C#N)ccn1	ZINC000587868711	EG	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccco1	ZINC000587868737	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)cc(C)n1	ZINC000587868741	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1C#N	ZINC000587868755	EG	Annotated	Mild	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1C	ZINC000587868959	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1C	ZINC000587868960	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1C	ZINC000587868961	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1C	ZINC000587868962	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cncc(C)n1	ZINC000587868983	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(C)s1	ZINC000587869136	EG	Annotated	Anodyne	
CCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC	ZINC000587869632	EG	Annotated	Anodyne	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1CCN(C)CC1	ZINC000587869899	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1N	ZINC000587870148	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(OC)ccn1	ZINC000587870159	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](O)c1ccccc1	ZINC000587870251	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](O)c1ccccc1	ZINC000587870260	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cn1	ZINC000587870291	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc(C)nc1C	ZINC000587870294	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(=O)NC(CC)CC	ZINC000587870400	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC)n1	ZINC000587870446	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccn1	ZINC000587870467	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cc(Cl)cn1	ZINC000587870484	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(O)ccc1O	ZINC000587870545	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN(CC)CC	ZINC000587870552	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(Cl)cc1N	ZINC000587870554	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccncc1F	ZINC000587870646	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ncccc1C	ZINC000587870676	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCC(F)(F)F	ZINC000587870742	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc(Cl)c1N	ZINC000587870758	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(C)n1	ZINC000587870789	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(O)c(O)c1	ZINC000587870844	EG	Annotated	Clean	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc(OC)ncc1F	ZINC000587870905	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(C)on1	ZINC000587870940	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccnc1OC	ZINC000587871003	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccncc1	ZINC000587871063	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)nc1	ZINC000587871080	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1nc(C)cc1C	ZINC000587871116	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)cc(CC)n1	ZINC000587871119	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ccncc1[N+](=O)[O-]	ZINC000587871134	EG	Annotated	Bother	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(Cl)cnn1C	ZINC000587871172	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCC(F)(F)F	ZINC000587871203	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cnc(Cl)cn1	ZINC000587871221	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1n[nH]cc1Cl	ZINC000587871349	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nn1CC	ZINC000587871395	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nncc(N)c1Cl	ZINC000587871540	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1cnnc(O)c1Cl	ZINC000587871551	EG	Annotated	Anodyne	
CCOc1cc(-n2nc(-c3cccc(F)c3)cc2OCC)ncn1	ZINC000587871591	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccn1C	ZINC000587871596	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(CC)nc1C	ZINC000587871715	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)cc(OC)n1	ZINC000587871718	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nccc1C	ZINC000587871782	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nccc1C	ZINC000587871784	EG	Annotated	Anodyne	
Fc1ccc2oc3cc(nn3-c3ncc(Br)cn3)c2c1	ZINC000587871808	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(COC)s1	ZINC000587871818	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)n(CC)n1	ZINC000587871865	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(CC)c(O)n1	ZINC000587871872	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1oc(C)nc1C	ZINC000587871886	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C)c(C)c(O)n1	ZINC000587871912	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cc(C)[nH]n1	ZINC000587872257	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1[N+](=O)[O-]	ZINC000587872366	EG	Annotated	Bother	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)NCc1ccco1	ZINC000587872382	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cccn1	ZINC000587872392	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cccn1	ZINC000587872394	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(C)cn1	ZINC000587872402	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(C)cn1	ZINC000587872403	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc(C)cn1	ZINC000587872429	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCN1CCCC1	ZINC000587872597	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CC1CCNCC1	ZINC000587872644	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(C)CC1	ZINC000587872685	EG	Annotated	Anodyne	
COc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c(O)c1	ZINC000587873004	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCCCC1	ZINC000587873030	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)N1CCSCC1	ZINC000587873120	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=S)NC(=O)C(C)(C)C	ZINC000587873151	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCSC	ZINC000587873158	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1ccc(C)n1	ZINC000587873336	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1ccc(C)n1	ZINC000587873337	EG	Annotated	Anodyne	
O=C(c1n[nH]cc1Br)n1nc2cc1oc1ccc(F)cc21	ZINC000587873343	EG	Annotated	Anodyne	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1ccc(C)n1	ZINC000587873365	EG	Annotated	Anodyne	
Cc1nn(C)c(C(=O)n2nc3cc2oc2ccc(F)cc32)c1Cl	ZINC000587873422	EG	Annotated	Anodyne	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873469	EG	Annotated	Anodyne	
C[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873475	EG	Annotated	Anodyne	
Fc1ccc2oc3cc(nn3-c3nc(Cl)nc4[nH]cnc34)c2c1	ZINC000587873508	EG	Annotated	Anodyne	
O=C(c1cn2cc(F)ccc2n1)n1nc2cc1oc1ccc(F)cc21	ZINC000587873532	EG	Annotated	Anodyne	
CCn1ncc(Cl)c1C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873559	EG	Annotated	Anodyne	
Cc1noc2ncc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc12	ZINC000587873574	EG	Annotated	Anodyne	
CN(CC(=O)n1nc2cc1oc1ccc(F)cc21)C(=O)OC(C)(C)C	ZINC000587873594	EG	Annotated	Anodyne	
C=CCn1ncc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1=O	ZINC000587873751	EG	Annotated	Mild	
CS(=O)(=O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)c(F)c1	ZINC000587873845	EG	Annotated	Anodyne	
COc1cccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1O	ZINC000587873847	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCC(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587873882	EG	Annotated	Anodyne	
O=C(c1cc(C(F)(F)F)n[nH]1)n1nc2cc1oc1ccc(F)cc21	ZINC000587873926	EG	Annotated	Anodyne	
Nc1cc(CC(=O)n2nc3cc2oc2ccc(F)cc32)ccc1O	ZINC000587873993	EG	Annotated	Anodyne	
Cc1c(Cl)c(C(=O)n2nc3cc2oc2ccc(F)cc32)nn1C	ZINC000587874039	EG	Annotated	Anodyne	
O=C(c1ccc2c(c1)OCCO2)n1nc2cc1oc1ccc(F)cc21	ZINC000587874059	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)NCCC(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587874095	EG	Annotated	Anodyne	
O=C(COc1ccccc1O)n1nc2cc1oc1ccc(F)cc21	ZINC000587874110	EG	Annotated	Anodyne	
CCn1ncc(-n2nc3cc2oc2ccc(F)cc32)c(Cl)c1=O	ZINC000587874125	EG	Annotated	Anodyne	
Cc1c(O)ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1O	ZINC000587874152	EG	Annotated	Anodyne	
CS(=O)(=O)c1cc(F)ccc1-n1nc2cc1oc1ccc(F)cc21	ZINC000587874212	EG	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1)C(=O)n1nc2cc1oc1ccc(F)cc21	ZINC000587874256	EG	Annotated	Anodyne	
CCn1cc(Cl)c(C(=O)n2nc3cc2oc2ccc(F)cc32)n1	ZINC000587874295	EG	Annotated	Anodyne	
Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1Cl	ZINC000587874336	EG	Annotated	Anodyne	
O=C(O)c1cc(Cl)nnc1-n1nc2cc1oc1ccc(F)cc21	ZINC000587874397	EG	Annotated	Anodyne	
O=C([C@@H]1COc2ccccc2O1)n1nc2cc1oc1ccc(F)cc21	ZINC000587874451	EG	Annotated	Anodyne	
O=C([C@H]1COc2ccccc2O1)n1nc2cc1oc1ccc(F)cc21	ZINC000587874452	EG	Annotated	Anodyne	
O=C(c1cc([N+](=O)[O-])ccc1O)n1nc2cc1oc1ccc(F)cc21	ZINC000587874662	EG	Annotated	Bother	
Nc1cc(C(=O)n2nc3cc2oc2ccc(F)cc32)cc([N+](=O)[O-])c1	ZINC000587874703	EG	Annotated	Bother	
Cn1c(-n2nc3cc2oc2ccc(F)cc32)nc2ccccc2c1=O	ZINC000587874795	EG	Annotated	Anodyne	
Cc1c(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)cnn1C	ZINC000587874917	EG	Annotated	Anodyne	
CCOC(=O)c1cnc(-n2nc3cc2oc2ccc(F)cc32)nc1C	ZINC000587874970	EG	Annotated	Anodyne	
O=C(c1cccc([N+](=O)[O-])c1O)n1nc2cc1oc1ccc(F)cc21	ZINC000587874971	EG	Annotated	Bother	
C[C@H]1CN(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C[C@H](C)O1	ZINC000587875139	EG	Annotated	Anodyne	
O=C(NCC(=O)n1nc2cc1oc1ccc(F)cc21)c1cccs1	ZINC000587875145	EG	Annotated	Anodyne	
C[C@H]1CN(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C[C@@H](C)O1	ZINC000587875146	EG	Annotated	Anodyne	
C[C@@H]1CN(CCC(=O)n2nc3cc2oc2ccc(F)cc32)C[C@@H](C)O1	ZINC000587875147	EG	Annotated	Anodyne	
Cc1nn(C)cc1-c1ccnc(-n2nc3cc2oc2ccc(F)cc32)n1	ZINC000587875387	EG	Annotated	Anodyne	
O=C(c1nnc(O)c2ccccc12)n1nc2cc1oc1ccc(F)cc21	ZINC000587875505	EG	Annotated	Anodyne	
CN(C)Cc1ccc(C(=O)n2nc3cc2oc2ccc(F)cc32)o1	ZINC000587875566	EG	Annotated	Anodyne	
Fc1ccc2oc3cc(nn3C(=S)NCCN3CCCCC3)c2c1	ZINC000587875714	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc(-n2nc3cc2oc2ccc(F)cc32)cc1	ZINC000587875785	EG	Annotated	Anodyne	
O=C(Cc1cn2ccccc2n1)n1nc2cc1oc1ccc(F)cc21	ZINC000587875808	EG	Annotated	Anodyne	
CCOc1oc(C(=O)n2nc3cc2oc2ccc(F)cc32)nc1C	ZINC000587875959	EG	Annotated	Anodyne	
O=C(c1cc(-c2ccncc2)[nH]n1)n1nc2cc1oc1ccc(F)cc21	ZINC000587876275	EG	Annotated	Anodyne	
Cc1[nH]nc2ncc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc12	ZINC000587876335	EG	Annotated	Anodyne	
Fc1ccc2oc3cc(nn3C(=S)NCc3cccnc3)c2c1	ZINC000587876349	EG	Annotated	Anodyne	
O=C(c1cc(-c2ccc[nH]2)[nH]n1)n1nc2cc1oc1ccc(F)cc21	ZINC000587876370	EG	Annotated	Anodyne	
CS(=O)(=O)c1cccc(-n2nc3cc2oc2ccc(F)cc32)c1	ZINC000587876688	EG	Annotated	Anodyne	
Cc1nn(CC(=O)n2nc3cc2oc2ccc(F)cc32)c(C)c1C	ZINC000587876690	EG	Annotated	Anodyne	
Cn1c(=O)c(-n2nc3cc2oc2ccc(F)cc32)nc2ccccc21	ZINC000587876717	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccccc1-n1nc2cc1oc1ccc(F)cc21	ZINC000587876881	EG	Annotated	Anodyne	
Cn1ccc(-c2ccnc(-n3nc4cc3oc3ccc(F)cc43)n2)n1	ZINC000587876964	EG	Annotated	Anodyne	
O=C(c1cc(-c2cc[nH]c2)[nH]n1)n1nc2cc1oc1ccc(F)cc21	ZINC000587876973	EG	Annotated	Anodyne	
Cc1cc(C)n(CCC(=O)n2nc3cc2oc2ccc(F)cc32)n1	ZINC000587877055	EG	Annotated	Anodyne	
Fc1ccc2oc3cc(nn3C(=S)NCCc3ccccn3)c2c1	ZINC000587877127	EG	Annotated	Anodyne	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cc(C#N)c1N	ZINC000587899340	EG	Annotated	Mild	
COC(=O)c1ccc(C#Cc2cc(Cl)ccc2OC)c(C)c1N	ZINC000587899444	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1O	ZINC000587899534	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C=O)cc([N+](=O)[O-])c1O	ZINC000587899884	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C#N)cc([N+](=O)[O-])c1N	ZINC000587900144	EG	Annotated	Mild	
COc1cc(C#Cc2cc(Cl)ccc2OC)c(O)c([N+](=O)[O-])c1	ZINC000587900334	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C=O)c(O)c(OC)c1OC	ZINC000587900483	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(NC=O)c1[N+](=O)[O-]	ZINC000587900486	EG	Annotated	Mild	
COC(=O)c1ccc(N)c(C#Cc2cc(Cl)ccc2OC)c1C	ZINC000587901352	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1[C@@H](CN)N(C)C	ZINC000587901581	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1[C@H](CN)N(C)C	ZINC000587901582	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1CNC1COC1	ZINC000587901751	EG	Annotated	Mild	
CCOC(=O)c1c(C#Cc2cc(Cl)ccc2OC)c(C)nn1CC	ZINC000587902243	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1-c1noc(CN)n1	ZINC000587902271	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn(CCN(C)C)c1C	ZINC000587902278	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn([C@H]2CCCCO2)c1C=O	ZINC000587902372	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn([C@@H]2CCCCO2)c1C=O	ZINC000587902378	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nc(C(=O)O)c(C#N)c1C	ZINC000587902405	EG	Annotated	Mild	
CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)OC	ZINC000587902512	EG	Annotated	Mild	
COC(=O)CCn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C	ZINC000587902558	EG	Annotated	Mild	
COC(=O)c1nc(C2CC2)ncc1C#Cc1cc(Cl)ccc1OC	ZINC000587902759	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(N)[nH]nc2nc1C1CC1	ZINC000587902789	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1N1CC[C@H](N)C1	ZINC000587902814	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccccc1N1CC[C@@H](N)C1	ZINC000587902816	EG	Annotated	Mild	
CCOC(=O)Cn1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C	ZINC000587902827	EG	Annotated	Mild	
COC(=O)[C@@H](C)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C	ZINC000587902848	EG	Annotated	Mild	
COC(=O)[C@H](C)n1nc(C)c(C#Cc2cc(Cl)ccc2OC)c1C	ZINC000587902852	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c[nH]c(-c2ccncc2)nc1=N	ZINC000587902869	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N2CCOCC2)nc1C	ZINC000587902905	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnnc(O)c1Br	ZINC000587902938	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn([C@H](C)C(=O)O)c1C	ZINC000587903072	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn([C@@H](C)C(=O)O)c1C	ZINC000587903073	EG	Annotated	Mild	
CCCN=c1[nH]c(Cl)ncc1C#Cc1cc(Cl)ccc1OC	ZINC000587903090	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(Br)c[nH]c1=N	ZINC000587903124	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@@H](C)C(=O)O)c1C	ZINC000587903157	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nn(C[C@H](C)C(=O)O)c1C	ZINC000587903158	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(N)nc1Cl	ZINC000587903166	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(N)cnc1N1CCCC1	ZINC000587903183	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Cl)nc(=N)[nH]c1Cl	ZINC000587903430	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2cc[nH]c2nc1C(=O)O	ZINC000587903436	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C=O)c(O)c([N+](=O)[O-])c1	ZINC000587903488	EG	Annotated	Mild	
COC(=O)c1nc2[nH]ccc2cc1C#Cc1cc(Cl)ccc1OC	ZINC000587903513	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)cnnc1O	ZINC000587903582	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)nc2n[nH]c(N)c2c1C	ZINC000587903607	EG	Annotated	Mild	
COC(=O)c1n[nH]c(C2CC2)c1C#Cc1cc(Cl)ccc1OC	ZINC000587903971	EG	Annotated	Mild	
CCn1cc(-c2n[nH]cc2C#Cc2cc(Cl)ccc2OC)cn1	ZINC000587903973	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc([C@@H]2CNCCO2)c1	ZINC000587904877	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc([C@H]2CNCCO2)c1	ZINC000587904878	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccnc(N2CCCC2=O)c1	ZINC000587905014	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(-n2ncc(C#N)c2N)c1	ZINC000587905067	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccnc(O[C@H]2CCOC2)c1	ZINC000587905442	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccnc(O[C@@H]2CCOC2)c1	ZINC000587905443	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNC(=N)O2)cc1	ZINC000587906485	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNC(=N)O2)cc1	ZINC000587906486	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2cnnc(=N)[nH]2)cc1	ZINC000587906548	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCO2)cc1	ZINC000587906712	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCO2)cc1	ZINC000587906713	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2c(=O)c(C#N)c[nH]c2c1	ZINC000587907025	EG	Annotated	Mild	
COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)cc2[nH]ncc12	ZINC000587907141	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1O)NC(=O)CC2	ZINC000587907162	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000587907176	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(N)c2c(c1)CCN2C(C)=O	ZINC000587907193	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)NC(=O)C2=O	ZINC000587907265	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2c(c1)CN(C)C(=O)C2	ZINC000587907267	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N2CCC(O)CC2)nc1	ZINC000587907564	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000587907591	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)c2oc(=N)[nH]c2c1	ZINC000587907865	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)C(=O)C(=O)N2	ZINC000587907885	EG	Annotated	Mild	
COCCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1	ZINC000587907957	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)C(=O)C(=O)N2C	ZINC000587908062	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c[nH]cc(Br)c1=O	ZINC000587908073	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1C)C(=O)C(=O)N2	ZINC000587908101	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@H](N)C2)cc1	ZINC000587908205	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N2CC[C@@H](N)C2)cc1	ZINC000587908206	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(N)cncc1Br	ZINC000587908312	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(c(OC)c1)OCC(=O)N2	ZINC000587908319	EG	Annotated	Mild	
CCOCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1	ZINC000587908361	EG	Annotated	Mild	
COCCCN=c1ccc(C#Cc2cc(Cl)ccc2OC)c[nH]1	ZINC000587908377	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c[nH]cc(Br)c1=N	ZINC000587908430	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c2c(c1)c(=N)[nH]n2C	ZINC000587908545	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C#N)c(=O)c2c1	ZINC000587908593	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N/C(=C\C#N)N2	ZINC000587908743	EG	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N/C(=C/C#N)N2	ZINC000587908746	EG	Annotated	Reactive	
CCOC(Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1)OCC	ZINC000587908771	EG	Annotated	Mild	
CCN=c1[nH]cc(C#Cc2cc(Cl)ccc2OC)c(C)c1[N+](=O)[O-]	ZINC000587908830	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(Cc2ccccc2)[nH]c1=N	ZINC000587908949	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)cc1Br	ZINC000587909140	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c[nH]c(=N)c([N+](=O)[O-])c1Cl	ZINC000587909201	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@@H](CN)CO2	ZINC000587909354	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C[C@H](CN)CO2	ZINC000587909355	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn(-c2cc(Cl)ncn2)c1	ZINC000587909356	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc(N2CCCC2)c(N)c1	ZINC000587909390	EG	Annotated	Mild	
CCOC(=O)[C@H](C)Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1	ZINC000587909428	EG	Annotated	Mild	
CCOC(=O)[C@@H](C)Cn1cc(C#Cc2cc(Cl)ccc2OC)cn1	ZINC000587909432	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C#N)c2[nH]ccc(=O)c2c1	ZINC000587909437	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(=N)[nH]cc1Br	ZINC000587909561	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn(-c2nc(C)cnc2C)c1	ZINC000587909625	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(Cl)nn2)c1	ZINC000587909701	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2[nH]c(C(C)(C)O)nc2c1	ZINC000587909880	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(C)c2c1C(=O)C(=O)N2	ZINC000587910028	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1CCNCC2	ZINC000587910116	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC(=O)C[C@@H](C)N2	ZINC000587910127	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2c(c1)NC(=O)C[C@H](C)N2	ZINC000587910128	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c[nH]nc1-c1cnn(C)c1C	ZINC000587910208	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2[nH]c([C@H](C)O)nc2c1	ZINC000587910307	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2[nH]c([C@@H](C)O)nc2c1	ZINC000587910308	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2cc(O)nc(O)c2c1	ZINC000587910360	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(=N)c(Br)c[nH]1	ZINC000587910436	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(=O)c(Br)c[nH]1	ZINC000587910440	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(=N)[nH]c1Br	ZINC000587910451	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ncc(Br)cc1N	ZINC000587910471	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ncc(N)cc1Br	ZINC000587910542	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nc(Br)ccc1N	ZINC000587910575	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(N)c(Br)n1	ZINC000587910594	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(Br)c(N)n1	ZINC000587910600	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(C2(C)OCCO2)n1	ZINC000587910630	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(N)cnc1Br	ZINC000587910776	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1[nH]c(=N)ccc1Br	ZINC000587910797	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(N2CCC(O)CC2)n1	ZINC000587910890	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2c1C[C@@H](C)NC2=O	ZINC000587911086	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2c1C[C@H](C)NC2=O	ZINC000587911087	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)cc2c(=O)oc(O)nc12	ZINC000587911122	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C)ccc2c1C(=O)C(=O)N2	ZINC000587911138	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1NC(=O)C2=O	ZINC000587911185	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2c(O)nc(O)nc12	ZINC000587911219	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(OC)c2[nH]c(=N)oc12	ZINC000587911286	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)cc2[nH]c(=N)oc12	ZINC000587911327	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C=O)cc2c1OCCO2	ZINC000587911389	EG	Annotated	Mild	
COc1cc(C#Cc2cc(Cl)ccc2OC)c2c(c1)NC(=O)CO2	ZINC000587911395	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(C)c2ncnc(OC)c12	ZINC000587911404	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(Br)ncn1C	ZINC000587911467	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2c1O[C@H](C)C(=O)N2	ZINC000587911577	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2c1O[C@@H](C)C(=O)N2	ZINC000587911578	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)cc2c1N(C)C(=O)C2=O	ZINC000587911623	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C(=O)O)nc2c1NCCC2	ZINC000587911639	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C(=O)Cl)nn2cccnc12	ZINC000587911724	EG	Annotated	Reactive	
COc1ccc(Cl)cc1C#Cc1ncn(C)c1Br	ZINC000587911762	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C#N)cnn1-c1ccccn1	ZINC000587911834	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc(Br)n1C	ZINC000587911846	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(C)c(Br)n1	ZINC000587911888	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc2c(=O)c(C#N)c[nH]c12	ZINC000587911942	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(Br)c[n+]1[O-]	ZINC000587911984	EG	Annotated	Mild	
COC(=O)c1cccn2c(C#Cc3cc(Cl)ccc3OC)cnc12	ZINC000587911993	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1[nH]nc2cc(C(=O)O)ccc12	ZINC000587911997	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=CC[C@H](C(=O)N(C)OC)CC1	ZINC000587912083	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=CC[C@@H](C(=O)N(C)OC)CC1	ZINC000587912084	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccn2cc(C(=O)O)nc12	ZINC000587912146	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(C(=O)O)cn2c1	ZINC000587912182	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2ccc([N+](=O)[O-])cn12	ZINC000587912227	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(CCN)cn2c1	ZINC000587912349	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=CC(=O)N(c2ccccc2)C1=O	ZINC000587912490	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2c([N+](=O)[O-])cccn12	ZINC000587912509	EG	Annotated	Mild	
COC(=O)c1cn2ccc(C#Cc3cc(Cl)ccc3OC)cc2n1	ZINC000587912529	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(C(=O)n2cccn2)o1	ZINC000587912567	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2cc([N+](=O)[O-])ccn12	ZINC000587912589	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2c(C#N)c(OC)ccn12	ZINC000587912619	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2cc(=N)[nH]cn2)o1	ZINC000587912645	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)cn2cc(C(=O)O)nc12	ZINC000587912670	EG	Annotated	Mild	
COC(=O)c1ccn2c(C#Cc3cc(Cl)ccc3OC)cnc2c1	ZINC000587912675	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(Br)[n+]1[O-]	ZINC000587912738	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#C/C=C1\OC(=O)C=C1Br	ZINC000587912751	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(C(=O)O)nc2cc(C)ccn12	ZINC000587912759	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(CN)cn2c1	ZINC000587912789	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=CC(=O)O/C1=C\Br	ZINC000587912796	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#CC1=CC(=O)O/C1=C/Br	ZINC000587912807	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])cn2ccnc12	ZINC000587912824	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1n[nH]c2nc(C)nc(Cl)c12	ZINC000587912841	EG	Annotated	Mild	
COC(=O)c1cn2c(C#Cc3cc(Cl)ccc3OC)cccc2n1	ZINC000587913055	EG	Annotated	Mild	
COC(=O)c1cccn2cc(C#Cc3cc(Cl)ccc3OC)nc12	ZINC000587913073	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nn(C)c2nc(C)nc(Cl)c12	ZINC000587913090	EG	Annotated	Mild	
COC(=O)c1c[nH]c2nc(C#Cc3cc(Cl)ccc3OC)ccc12	ZINC000587913113	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2[nH]cc(C(=O)O)c2cn1	ZINC000587913115	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nn(C)cc1Br	ZINC000587913135	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2cc(C(=O)O)[nH]c2cn1	ZINC000587913200	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2ncc([N+](=O)[O-])n2c1	ZINC000587913213	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nccc(Br)c1N	ZINC000587913239	EG	Annotated	Mild	
COC(=O)c1ccc2c(C#Cc3cc(Cl)ccc3OC)[nH]nc2c1	ZINC000587913261	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(C)nc1Br	ZINC000587913300	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C(=O)O)c2n1	ZINC000587913316	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2cc(C(=O)O)[nH]c2n1	ZINC000587913378	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2[nH]c(C(=O)O)cc2n1	ZINC000587913568	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ncc(Br)nc1C#N	ZINC000587913582	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn(C)c(C(F)(F)F)cc1=O	ZINC000587914727	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cccc(F)c1NC1=NCCN1	ZINC000587915993	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1nc(Br)ncc1F	ZINC000587916092	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(=O)oc(O)nc2cc1F	ZINC000587916186	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)cc2c(=O)oc(O)nc12	ZINC000587916195	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1NC(=O)C2=O	ZINC000587916569	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)ccc1-c1n[nH]c(=N)o1	ZINC000587916619	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2nc(=N)[nH][nH]2)c(F)c1	ZINC000587916642	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)cc2c1OCC(=O)N2	ZINC000587916703	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(F)cc1-c1n[nH]c(=N)o1	ZINC000587916833	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)OCC(=O)N2	ZINC000587916968	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1F)NC(=O)C2=O	ZINC000587917070	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)c2nc[nH]c(=N)c2c1	ZINC000587917184	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1c(F)c(=O)c(Cl)cn1C	ZINC000587917271	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)c2c[nH]c(=N)nc2c1	ZINC000587917320	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2nnn(C)c2c(F)c1F	ZINC000587917321	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(F)c2c1C(=O)C(=O)N2	ZINC000587917443	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)cc2nc(O)n(C)c12	ZINC000587917518	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(F)c2c1NC(=O)C2=O	ZINC000587917815	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(=N)[nH]n(C)c2cc1F	ZINC000587917860	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc(F)c2c(c1)NC(=O)CO2	ZINC000587917873	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Cl)o1	ZINC000587918361	EG	Annotated	Unstable	
COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])c(C(=O)O)s1	ZINC000587918813	EG	Annotated	Mild	
COC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)c(C=O)s1	ZINC000587918917	EG	Annotated	Mild	
COC(=O)c1sc(C)c(C#Cc2cc(Cl)ccc2OC)c1N	ZINC000587919048	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccsc1CN1CCNCC1	ZINC000587919090	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1n[nH]c2nc(SC)ncc12	ZINC000587919164	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1csc(-c2n[nH]c(=N)o2)c1	ZINC000587919217	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cc2c(cc1S)OCC(=O)N2	ZINC000587919307	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1csc(CN2CCNCC2)c1	ZINC000587919321	EG	Annotated	Mild	
COc1ccc(C#Cc2cc(Cl)ccc2OC)c(C(N)=S)c1	ZINC000587919404	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cn2cc(C(=O)O)nc2s1	ZINC000587920184	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1csc(N2CCC(O)CC2)n1	ZINC000587920290	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1sc(C=O)c2c1OCCO2	ZINC000587920626	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1cnc2sc(C(=O)O)cn12	ZINC000587920701	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc([C@@H]2CNCCN2)s1	ZINC000587920710	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc([C@H]2CNCCN2)s1	ZINC000587920711	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(CN2CCNCC2)s1	ZINC000587921139	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2n[nH]c(=N)o2)s1	ZINC000587921163	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc(-c2cnnc(=N)[nH]2)s1	ZINC000587921247	EG	Annotated	Mild	
COc1ccc(Cl)cc1C#Cc1ccc2sc(N)[n+]([O-])c2c1	ZINC000587921268	EG	Annotated	Mild	
C=C1NC(=O)c2cc(C#Cc3cc(Cl)ccc3OC)sc2N1	ZINC000587921392	EG	Annotated	Mild	
N#Cc1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1	ZINC000587921623	EG	Annotated	Mild	
N#Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1	ZINC000587921624	EG	Annotated	Mild	
C/C=C1\NNC(=O)C(c2nc(-c3ccc(C#N)cc3)cs2)=C1CC	ZINC000587921754	EG	Annotated	Mild	
C/C=C1/NNC(=O)C(c2nc(-c3ccc(C#N)cc3)cs2)=C1CC	ZINC000587921755	EG	Annotated	Mild	
N#Cc1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1	ZINC000587921775	EG	Annotated	Mild	
CCN(c1ccc(-c2csc(-c3cnco3)n2)cc1)S(C)(=O)=O	ZINC000587923587	EG	Annotated	Anodyne	
CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1	ZINC000587924438	EG	Annotated	Anodyne	
C=C1NNC(=O)C(c2nc(-c3ccc(SC)cc3)cs2)=C1C	ZINC000587924834	EG	Annotated	Anodyne	
COc1cc(C)ccc1-c1nc2ccc(OCCN(C)C)cc2[nH]1	ZINC000587924867	EG	Annotated	Anodyne	
Cc1ccc(-c2cc(O)n(-c3cc(O)cc(C(=O)O)c3)c2O)cc1	ZINC000587924971	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3ccc(CCO)cc3[nH]2)cc1OC	ZINC000587925049	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC	ZINC000587925080	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cnc(Cl)[nH]c-3n2)cc1OC	ZINC000587925103	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3cc(N)c(N)cc3[nH]2)cc1OC	ZINC000587925179	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cc(N)c(N)cc3[nH]2)cc1OC	ZINC000587925185	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cncc(OC)c3[nH]2)cc1OC	ZINC000587925225	EG	Annotated	Anodyne	
COc1cc(C)ccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	ZINC000587925284	EG	Annotated	Bother	
Cc1ccccc1-c1cc(O)n(-c2cc(O)cc(C(=O)O)c2)c1O	ZINC000587925320	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1OC	ZINC000587925395	EG	Annotated	Anodyne	
COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1OC	ZINC000587925401	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587925411	EG	Annotated	Bother	
O=C(O)c1cc(O)cc(-n2c(O)ccc2OCCc2ccccc2)c1	ZINC000587925451	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c(-c3c(OC)ccc(OC)c3OC)nc2c1	ZINC000587925454	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1OC	ZINC000587925515	EG	Annotated	Bother	
C=C(C(=O)O)c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O	ZINC000587925523	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cncc(OC)c3[nH]2)cc1OC	ZINC000587925685	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3cncc(OC)c3[nH]2)cc1OC	ZINC000587925687	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3ccc(CO)cc3[nH]2)cc1OC	ZINC000587925704	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3ccc(CO)cc3[nH]2)cc1OC	ZINC000587925705	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC	ZINC000587925802	EG	Annotated	Mild	
COc1ccc(OC)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1OC	ZINC000587926079	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1OC	ZINC000587926132	EG	Annotated	Bother	
COc1ccc(CCCc2nc3nc(Cl)c[nH]c-3n2)cc1OC	ZINC000587926166	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC	ZINC000587926169	EG	Annotated	Bother	
O=C(O)c1cc(O)cc(-n2c(O)cc(-c3cccc(F)c3)c2O)c1	ZINC000587926233	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3ccnc(OC)c3[nH]2)cc1OC	ZINC000587926354	EG	Annotated	Anodyne	
COc1cc(C2(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC2)ccc1C	ZINC000587926385	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3ccc(CO)cc3[nH]2)cc1OC	ZINC000587926424	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(-c3ccc(C)cc3OC)[nH]c2c1OC	ZINC000587926440	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c12	ZINC000587926617	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3cnc(Cl)[nH]c-3n2)cc1OC	ZINC000587926645	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3cnc(Cl)[nH]c-3n2)cc1OC	ZINC000587926646	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3ccnc(OC)c3[nH]2)cc1OC	ZINC000587926709	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3ccnc(OC)c3[nH]2)cc1OC	ZINC000587926710	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1OC	ZINC000587926784	EG	Annotated	Anodyne	
O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c1	ZINC000587926821	EG	Annotated	Anodyne	
COc1cc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2cc1F	ZINC000587926848	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(C3(c4ccc(C)c(OC)c4)CC3)nc12	ZINC000587926865	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587926882	EG	Annotated	Bother	
COc1ccc(C[C@@H](C)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC	ZINC000587926884	EG	Annotated	Bother	
COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cn1	ZINC000587927055	EG	Annotated	Anodyne	
COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cn1	ZINC000587927057	EG	Annotated	Anodyne	
O=C(O)CCc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O	ZINC000587927275	EG	Annotated	Anodyne	
COc1ccc(C[C@@H](C)c2nc3ccc(CCO)cc3[nH]2)cc1OC	ZINC000587927302	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3ccc(CCO)cc3[nH]2)cc1OC	ZINC000587927304	EG	Annotated	Anodyne	
COc1c(Cc2ccccc2)cc(O)n1-c1cc(O)cc(C(=O)O)c1	ZINC000587927435	EG	Annotated	Anodyne	
O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccccc3F)c2O)c1	ZINC000587927754	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC	ZINC000587927768	EG	Annotated	Bother	
COc1ccc(OC)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1OC	ZINC000587927882	EG	Annotated	Bother	
COc1ccc(C[C@@H](C)c2nc3nc(Cl)c[nH]c-3n2)cc1OC	ZINC000587927952	EG	Annotated	Anodyne	
COc1ccc(C[C@H](C)c2nc3nc(Cl)c[nH]c-3n2)cc1OC	ZINC000587927953	EG	Annotated	Anodyne	
COc1cc(C2(c3nc4c(S)nc(S)nc4[nH]3)CC2)ccc1C	ZINC000587928027	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2cn1	ZINC000587928047	EG	Annotated	Anodyne	
CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587928129	EG	Annotated	Bother	
CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587928131	EG	Annotated	Bother	
COc1ccc(-c2ccc(-c3nc4ncc[nH]c-4n3)c(O)c2)cc1OC	ZINC000587928161	EG	Annotated	Anodyne	
COc1ccc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc1OC	ZINC000587928176	EG	Annotated	Mild	
COC(=O)c1ccc2nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c2n1	ZINC000587928183	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1OC	ZINC000587928202	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1OC	ZINC000587928241	EG	Annotated	Bother	
COc1ccc(CCCc2nc3ccc(OC)nc3[nH]2)c(OC)c1	ZINC000587928324	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c(OC)c1	ZINC000587928556	EG	Annotated	Bother	
COc1cc(OC)c2nc(C(=O)Cc3ccccc3OC)[nH]c2c1	ZINC000587928696	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2ncc(Br)cc2[nH]1	ZINC000587928708	EG	Annotated	Anodyne	
COc1ccc(-c2ccc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2)cc1OC	ZINC000587928774	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cnc(Cl)[nH]c-3n2)c(OC)c1	ZINC000587928778	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cncc(OC)c3[nH]2)c(OC)c1	ZINC000587928834	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3c(Cl)ncnc3[nH]2)c(OC)c1	ZINC000587928883	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2c(Br)cncc2[nH]1	ZINC000587928885	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc3c(cc2[nH]1)OCCCO3	ZINC000587928965	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cncc([N+](=O)[O-])c3[nH]2)c(OC)c1	ZINC000587929074	EG	Annotated	Bother	
COc1ccc(CCCc2nc3ccnc(OC)c3[nH]2)c(OC)c1	ZINC000587929109	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc(OC)ncc3[nH]2)c(OC)c1	ZINC000587929209	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2c(Br)nccc2[nH]1	ZINC000587929386	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3nc(Cl)c[nH]c-3n2)c(OC)c1	ZINC000587929506	EG	Annotated	Anodyne	
COc1ccc(CCCc2nc3cc(C#N)c(C#N)cc3[nH]2)c(OC)c1	ZINC000587929589	EG	Annotated	Mild	
COc1cccc([C@H](C)Cc2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587929712	EG	Annotated	Anodyne	
COc1cccc([C@@H](C)Cc2nc3nc(Br)c[nH]c-3n2)c1	ZINC000587929715	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cnc(C(F)(F)F)cc2[nH]1	ZINC000587929783	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1	ZINC000587929800	EG	Annotated	Bother	
COC(=O)c1ccnc2[nH]c([C@H]3C[C@]3(C)c3ccccc3OC)nc12	ZINC000587929823	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@]3(C)c3ccccc3OC)nc12	ZINC000587929824	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H]3C[C@]3(C)c3ccccc3OC)nc12	ZINC000587929825	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H]3C[C@@]3(C)c3ccccc3OC)nc12	ZINC000587929826	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cnc(Br)cc2[nH]1	ZINC000587929829	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2nccc(Br)c2[nH]1	ZINC000587930283	EG	Annotated	Anodyne	
COc1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1	ZINC000587930435	EG	Annotated	Anodyne	
COc1cccc(C2(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CCCC2)c1	ZINC000587930675	EG	Annotated	Anodyne	
COc1cc(O)cc(-c2cccc(-c3nc4cc(=N)[nH]cc4[nH]3)c2)c1	ZINC000587931293	EG	Annotated	Anodyne	
COc1cccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	ZINC000587931433	EG	Annotated	Bother	
COc1cc(O)cc(-c2cccc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c1	ZINC000587931450	EG	Annotated	Anodyne	
COc1cc(O)cc(-c2cccc(-c3nc4cnnc(O)c4[nH]3)c2)c1	ZINC000587931466	EG	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1	ZINC000587931508	EG	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1	ZINC000587931510	EG	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1	ZINC000587931512	EG	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1	ZINC000587931513	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2ncc(C(F)(F)F)cc2[nH]1	ZINC000587931675	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cn1	ZINC000587931707	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2cn1	ZINC000587931709	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cn1	ZINC000587931711	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2cn1	ZINC000587931712	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2nc(Br)ccc2[nH]1	ZINC000587931881	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2n1	ZINC000587932241	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c2n1	ZINC000587932243	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c2n1	ZINC000587932244	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c2n1	ZINC000587932245	EG	Annotated	Anodyne	
COc1ccccc1CC(=O)c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	ZINC000587932263	EG	Annotated	Bother	
COC(=O)c1ccc2nc(C[C@@H](C)c3cccc(OC)c3)[nH]c2n1	ZINC000587932317	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C[C@H](C)c3cccc(OC)c3)[nH]c2n1	ZINC000587932319	EG	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587932338	EG	Annotated	Anodyne	
COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587932339	EG	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587932340	EG	Annotated	Anodyne	
COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3	ZINC000587932341	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(C[C@@H](C)c3cccc(OC)c3)nc12	ZINC000587932351	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(C[C@H](C)c3cccc(OC)c3)nc12	ZINC000587932353	EG	Annotated	Anodyne	
COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1	ZINC000587932379	EG	Annotated	Anodyne	
COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1	ZINC000587932391	EG	Annotated	Anodyne	
COc1cccc([C@H](C)Cc2nc3c(S)nc(S)nc3[nH]2)c1	ZINC000587932901	EG	Annotated	Anodyne	
COc1cccc([C@@H](C)Cc2nc3c(S)nc(S)nc3[nH]2)c1	ZINC000587932910	EG	Annotated	Anodyne	
COc1cccc(C2(c3nc4c(O)nc(S)nc4[nH]3)CCCC2)c1	ZINC000587933172	EG	Annotated	Anodyne	
COc1ccccc1-c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1	ZINC000587933534	EG	Annotated	Anodyne	
COc1cccc(-c2cc(O)cc(-c3nc4cnnc(O)c4[nH]3)c2)c1	ZINC000587933660	EG	Annotated	Anodyne	
COc1cccc(-c2cc(O)cc(-c3nc4cc[nH]c(=N)c4[nH]3)c2)c1	ZINC000587933917	EG	Annotated	Anodyne	
Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O	ZINC000587934078	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1	ZINC000587934293	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2cn1	ZINC000587934296	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1	ZINC000587934299	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1	ZINC000587934301	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)OCCO4)cc1	ZINC000587934302	EG	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2cncc([N+](=O)[O-])c2[nH]1	ZINC000587934707	EG	Annotated	Bother	
COc1ccc([C@H](c2ccccc2)c2nc3c(O)ncnc3[nH]2)cc1	ZINC000587934739	EG	Annotated	Anodyne	
COc1ccc([C@@H](c2ccccc2)c2nc3c(O)ncnc3[nH]2)cc1	ZINC000587934740	EG	Annotated	Anodyne	
COc1ccc(C2(c3nc4c(N)ncnc4[nH]3)CC3(CCC3)C2)cc1	ZINC000587934894	EG	Annotated	Anodyne	
COc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1	ZINC000587934974	EG	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	ZINC000587935159	EG	Annotated	Bother	
COC(=O)c1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2n1	ZINC000587935208	EG	Annotated	Anodyne	
COc1ccc2c(c1)CCC=C2Cc1nc2cccc(C(N)=O)c2[nH]1	ZINC000587935297	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(CC3=CCCc4cc(OC)ccc43)nc12	ZINC000587935357	EG	Annotated	Anodyne	
Cc1c(C)c(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O	ZINC000587935497	EG	Annotated	Bother	
CCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587935508	EG	Annotated	Bother	
COc1ccc(C2(c3nc4cnnc(O)c4[nH]3)CC3(CCC3)C2)cc1	ZINC000587935512	EG	Annotated	Anodyne	
Nc1c(Br)cccc1-n1c(O)cc(-c2ccco2)c1O	ZINC000587935624	EG	Annotated	Anodyne	
COc1ccc2cc([C@@H](C)c3nc4c(O)nc(O)nc4[nH]3)ccc2c1	ZINC000587935733	EG	Annotated	Anodyne	
Cn1cc(-c2cccc(Br)c2-n2c(O)ccc2O)cn1	ZINC000587935734	EG	Annotated	Anodyne	
COc1cc(C(C)=O)c(OC)n1-c1cccc(Br)c1N	ZINC000587936214	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c12	ZINC000587936358	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c12	ZINC000587936360	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c12	ZINC000587936361	EG	Annotated	Anodyne	
COC(=O)c1cccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c12	ZINC000587936362	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587936363	EG	Annotated	Bother	
COc1ccc([C@H](O)[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587936366	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587936367	EG	Annotated	Bother	
COc1ccc([C@H](O)[C@@H](C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	ZINC000587936370	EG	Annotated	Bother	
COc1cc(C#N)c(OC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1	ZINC000587936421	EG	Annotated	Mild	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1	ZINC000587936713	EG	Annotated	Mild	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1	ZINC000587936718	EG	Annotated	Mild	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1	ZINC000587936720	EG	Annotated	Mild	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1	ZINC000587936721	EG	Annotated	Mild	
COc1cc(C)c(OC)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587936774	EG	Annotated	Bother	
Nc1cccc(Br)c1-n1c(O)cc(-c2ccco2)c1O	ZINC000587936792	EG	Annotated	Anodyne	
COc1ccc(C2(c3nc4c(O)ncnc4[nH]3)CC3(CCC3)C2)cc1	ZINC000587936827	EG	Annotated	Anodyne	
COc1cc(C(C)=O)c(OC)n1-c1cccc(C2=NC(C)(C)CO2)c1	ZINC000587936842	EG	Annotated	Anodyne	
COc1c(C)cc(O)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587936941	EG	Annotated	Bother	
COc1cc(C(C)=O)c(OC)n1-c1c(N)cccc1Br	ZINC000587937063	EG	Annotated	Anodyne	
COC(=O)c1cc(-n2c(O)ccc2O)c(Cl)cc1Br	ZINC000587937423	EG	Annotated	Anodyne	
COc1ccc(OC)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587937458	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1	ZINC000587937545	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1	ZINC000587937546	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1	ZINC000587937547	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1	ZINC000587937548	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1	ZINC000587937563	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1	ZINC000587937564	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1	ZINC000587937565	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1	ZINC000587937566	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1	ZINC000587937570	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1	ZINC000587937571	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1	ZINC000587937572	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1	ZINC000587937573	EG	Annotated	Anodyne	
COc1cc(C)c(O)n1-c1cccc(Br)c1[N+](=O)[O-]	ZINC000587937638	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	ZINC000587937824	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	ZINC000587937832	EG	Annotated	Bother	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	ZINC000587937833	EG	Annotated	Bother	
COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	ZINC000587937834	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1	ZINC000587938314	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1	ZINC000587938315	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1	ZINC000587938316	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3cccc(C(=O)O)c3[nH]2)cc1	ZINC000587938317	EG	Annotated	Anodyne	
COc1ccc([C@H](c2ccccc2)c2nc3cnnc(O)c3[nH]2)cc1	ZINC000587938371	EG	Annotated	Anodyne	
COc1ccc([C@@H](c2ccccc2)c2nc3cnnc(O)c3[nH]2)cc1	ZINC000587938372	EG	Annotated	Anodyne	
COc1ccc([C@H](c2ccccc2)c2nc3c(N)ncnc3[nH]2)cc1	ZINC000587938388	EG	Annotated	Anodyne	
COc1ccc([C@@H](c2ccccc2)c2nc3c(N)ncnc3[nH]2)cc1	ZINC000587938389	EG	Annotated	Anodyne	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587938475	EG	Annotated	Bother	
COc1ccc([C@H](O)[C@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587938476	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587938477	EG	Annotated	Bother	
COc1ccc([C@H](O)[C@@H](C)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	ZINC000587938478	EG	Annotated	Bother	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1	ZINC000587938482	EG	Annotated	Mild	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1	ZINC000587938491	EG	Annotated	Mild	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1	ZINC000587938493	EG	Annotated	Mild	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1	ZINC000587938494	EG	Annotated	Mild	
COc1ccc([C@H](O)[C@@H](C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1	ZINC000587938527	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1	ZINC000587938529	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@@H](C)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1	ZINC000587938531	EG	Annotated	Anodyne	
COc1ccc([C@H](O)[C@H](C)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1	ZINC000587938532	EG	Annotated	Anodyne	
COc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C	ZINC000587938846	EG	Annotated	Anodyne	
COc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C	ZINC000587938849	EG	Annotated	Anodyne	
Oc1ccc(OCCc2ccccc2)n1-c1ccnc(CCl)n1	ZINC000587938996	EG	Annotated	Reactive	
COc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1	ZINC000587939095	EG	Annotated	Reactive	
Cc1cc2c(n1-c1c[nH]cc(Br)c1=O)CC(C)(C)CC2=O	ZINC000587939139	EG	Annotated	Anodyne	
COc1ccccc1-c1cc(O)n(-c2ccnc(CCl)n2)c1O	ZINC000587939145	EG	Annotated	Reactive	
Cc1cc(OC(C)(C)C)n(-c2c[nH]cc(Br)c2=O)c1O	ZINC000587939161	EG	Annotated	Anodyne	
CCc1ccc(CC)n1-c1nn(-c2ncccn2)cc1Br	ZINC000587939162	EG	Annotated	Anodyne	
CCOc1ccc(OCC)n1-c1cnc(C)c(Br)n1	ZINC000587939165	EG	Annotated	Anodyne	
CCOc1cc(C=O)c(OCC)n1-c1ccnc(Br)c1	ZINC000587939271	EG	Annotated	Anodyne	
COc1cc(C)c(O)n1-c1cc2cnccc2c(Br)n1	ZINC000587939338	EG	Annotated	Anodyne	
CCOC(=O)c1cc(C)n(-c2cnc(C)c(Br)n2)c1C	ZINC000587939416	EG	Annotated	Anodyne	
Cc1ncc(-n2c(O)cc(-c3ccco3)c2O)nc1Br	ZINC000587939519	EG	Annotated	Anodyne	
COc1cccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)c1	ZINC000587939528	EG	Annotated	Reactive	
CCOc1cc(-n2c(O)cc(C)c2OC)c(Cl)cc1C(=O)O	ZINC000587939597	EG	Annotated	Anodyne	
Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O	ZINC000587939677	EG	Annotated	Anodyne	
Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O	ZINC000587939682	EG	Annotated	Anodyne	
COc1c(Cc2ccccc2)cc(O)n1-c1ccnc(CCl)n1	ZINC000587939837	EG	Annotated	Reactive	
COc1ccc(OC)n1-c1cc2cnccc2c(Br)n1	ZINC000587939980	EG	Annotated	Anodyne	
Cc1c(C)c(O)n(-c2cc3cnccc3c(Br)n2)c1O	ZINC000587939989	EG	Annotated	Anodyne	
Nc1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1	ZINC000587940276	EG	Annotated	Anodyne	
Cc1ncc(-n2c(O)cc(-c3ccccc3)c2O)nc1Br	ZINC000587940366	EG	Annotated	Anodyne	
COc1c(C)cc(O)n1-c1cc2cnccc2c(Br)n1	ZINC000587940678	EG	Annotated	Anodyne	
COc1ccc(O)n1-c1cc(Br)cnc1Br	ZINC000587940761	EG	Annotated	Anodyne	
Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O	ZINC000587940874	EG	Annotated	Anodyne	
CCOc1cc(-n2c(OC)cc(C)c2O)c(Cl)cc1C(=O)O	ZINC000587941132	EG	Annotated	Anodyne	
O=C(O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O	ZINC000587941199	EG	Annotated	Anodyne	
COc1cc(C)c(OC)n1NCc1ccccc1Br	ZINC000587941703	EG	Annotated	Anodyne	
CCOc1cc(-n2c(O)c(C)c(C)c2O)c(Cl)cc1C(=O)O	ZINC000587941723	EG	Annotated	Anodyne	
CCOc1cc(-n2c(O)ccc2OCC)c(Cl)cc1C(=O)O	ZINC000587942079	EG	Annotated	Anodyne	
CCOc1ccc(O)n1-c1cc2cnccc2c(Br)n1	ZINC000587942210	EG	Annotated	Anodyne	
COc1ccc(OC(C)(C)C)n1-c1c[nH]cc(Br)c1=O	ZINC000587942388	EG	Annotated	Anodyne	
Cc1ncc(-n2c(O)ccc2OC(C)(C)C)nc1Br	ZINC000587942451	EG	Annotated	Anodyne	
O=c1c(Br)c[nH]cc1-n1c(O)cc(-c2ccccc2)c1O	ZINC000587942482	EG	Annotated	Anodyne	
O=C(O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O	ZINC000587942764	EG	Annotated	Anodyne	
Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O	ZINC000587943560	EG	Annotated	Bother	
COc1ccc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C	ZINC000587943595	EG	Annotated	Bother	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1O	ZINC000587943679	EG	Annotated	Bother	
COc1cc(C#N)c(OC)n1-c1cc(F)c(Br)cc1F	ZINC000587943917	EG	Annotated	Mild	
CCOc1ccc(OCC)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587944411	EG	Annotated	Anodyne	
CCOc1cc(C=O)c(OCC)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587944520	EG	Annotated	Anodyne	
COc1cc(C)c(OC)n1-c1cc(C)n(Cc2ccccc2F)n1	ZINC000587944682	EG	Annotated	Anodyne	
Oc1cc(-c2ccco2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587944700	EG	Annotated	Anodyne	
CC(C)(C)Oc1ccc(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587944889	EG	Annotated	Anodyne	
COc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl	ZINC000587945020	EG	Annotated	Anodyne	
Oc1cc(-c2ccco2)c(O)n1-c1nc(N2CCCCC2)ncc1F	ZINC000587945355	EG	Annotated	Anodyne	
COc1cc(C#N)c(OC)n1-c1cc(C)n(Cc2ccccc2F)n1	ZINC000587945367	EG	Annotated	Mild	
CCOC(=O)c1cc(C)n(-c2n[nH]c(-c3ccccc3F)n2)c1C	ZINC000587945555	EG	Annotated	Anodyne	
Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O	ZINC000587945675	EG	Annotated	Anodyne	
CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(C)c2O)n1	ZINC000587945723	EG	Annotated	Anodyne	
O=C(O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O	ZINC000587945771	EG	Annotated	Anodyne	
COc1ccc2c(c1)C[C@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)CC2	ZINC000587946002	EG	Annotated	Anodyne	
COc1ccc2c(c1)C[C@@H](c1nc3cc4nc(O)[nH]c4cc3[nH]1)CC2	ZINC000587946003	EG	Annotated	Anodyne	
COc1cc(C)c(OC)n1[C@H](COc1cc(F)cc(F)c1)N=O	ZINC000587946107	EG	Annotated	Anodyne	
COc1cc(C)c(OC)n1[C@@H](COc1cc(F)cc(F)c1)N=O	ZINC000587946117	EG	Annotated	Anodyne	
CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2O)n1	ZINC000587946221	EG	Annotated	Anodyne	
Oc1cc(-c2ccccc2)c(O)n1-c1n[nH]c(-c2ccccc2F)n1	ZINC000587946255	EG	Annotated	Anodyne	
COc1ccc(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1	ZINC000587946687	EG	Annotated	Anodyne	
COc1ccc2c(c1)C[C@H](c1nc3c(S)nc(S)nc3[nH]1)CC2	ZINC000587946961	EG	Annotated	Anodyne	
COc1ccc2c(c1)C[C@@H](c1nc3c(S)nc(S)nc3[nH]1)CC2	ZINC000587946962	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c2cn1	ZINC000587947085	EG	Annotated	Anodyne	
COC(=O)c1cc2nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c2cn1	ZINC000587947086	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@@H]3CCc4ccc(OC)cc4C3)nc12	ZINC000587947102	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c([C@H]3CCc4ccc(OC)cc4C3)nc12	ZINC000587947103	EG	Annotated	Anodyne	
COc1cc(C)c(OC)n1-c1cnc(Cc2ccc(F)cc2)nc1	ZINC000587947113	EG	Annotated	Anodyne	
N=c1nc(O)c2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2[nH]1	ZINC000587949190	EG	Annotated	Anodyne	
N=c1nc(O)c2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2[nH]1	ZINC000587949191	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C)nc4[nH]1)(C3)C2	ZINC000587949751	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4nc(Cl)c[nH]c-4n1)(C3)C2	ZINC000587949767	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)ccnc4[nH]1)(C3)C2	ZINC000587949775	EG	Annotated	Anodyne	
COc1nccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12	ZINC000587949776	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)cnc4[nH]1)(C3)C2	ZINC000587949789	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(C)nccc4[nH]1)(C3)C2	ZINC000587949825	EG	Annotated	Anodyne	
COc1cncc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c12	ZINC000587949949	EG	Annotated	Anodyne	
O=[N+]([O-])c1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1	ZINC000587949964	EG	Annotated	Bother	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cncc(C)c4[nH]1)(C3)C2	ZINC000587949982	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(F)cnc4[nH]1)(C3)C2	ZINC000587950350	EG	Annotated	Anodyne	
Sc1nc(S)c2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1	ZINC000587950387	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(CO)cc4[nH]1)(C3)C2	ZINC000587950416	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(O)c4[nH]1)(C3)C2	ZINC000587950428	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1	ZINC000587950658	EG	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1	ZINC000587950666	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c2c1	ZINC000587950711	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c2c1	ZINC000587950712	EG	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1	ZINC000587950791	EG	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1	ZINC000587950792	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC1	ZINC000587950793	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC1	ZINC000587950794	EG	Annotated	Anodyne	
COC(=O)c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cn1	ZINC000587950957	EG	Annotated	Anodyne	
O=[N+]([O-])c1cncc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12	ZINC000587951058	EG	Annotated	Bother	
COc1ccc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2n1	ZINC000587951140	EG	Annotated	Anodyne	
Oc1nc(O)c2nc(Cc3ccccc3Oc3ccccc3)[nH]c2n1	ZINC000587951157	EG	Annotated	Anodyne	
COc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cn1	ZINC000587951433	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(O)cc4[nH]1)(C3)C2	ZINC000587951451	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cnc(Cl)[nH]c-4n1)(C3)C2	ZINC000587951463	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1	ZINC000587951624	EG	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1	ZINC000587951625	EG	Annotated	Anodyne	
COC(=O)c1ccnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12	ZINC000587951661	EG	Annotated	Anodyne	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)ncnc4[nH]1)(C3)C2	ZINC000587951704	EG	Annotated	Anodyne	
COC(=O)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1	ZINC000587951740	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1	ZINC000587952014	EG	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)OCO4)CC1	ZINC000587952020	EG	Annotated	Anodyne	
C[C@H](Oc1ccc2ccccc2c1)c1nc2nc(C#N)c(C#N)nc2[nH]1	ZINC000587952043	EG	Annotated	Mild	
CO[C@H](C)COC1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1	ZINC000587952371	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3ccc(CCO)cc3[nH]2)CC1	ZINC000587952372	EG	Annotated	Anodyne	
CO[C@@H](C)COC1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1	ZINC000587952395	EG	Annotated	Mild	
CO[C@H](C)COC1CCC(c2nc3cc(C#N)c(C#N)cc3[nH]2)CC1	ZINC000587952396	EG	Annotated	Mild	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587952909	EG	Annotated	Reactive	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587952910	EG	Annotated	Reactive	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587952911	EG	Annotated	Reactive	
CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1	ZINC000587952912	EG	Annotated	Reactive	
CO[C@@H](C)COC1CCC(c2nc3ccc(C(=O)O)cc3[nH]2)CC1	ZINC000587952983	EG	Annotated	Anodyne	
CO[C@H](C)COC1CCC(c2nc3ccc(C(=O)O)cc3[nH]2)CC1	ZINC000587952984	EG	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc(C#Cc3ccccc3)nc-2[nH]1	ZINC000587953966	EG	Annotated	Mild	
C=CCC(C)(C)c1nc2ccc(S(=O)(=O)NCCCC)cc2[nH]1	ZINC000587954182	EG	Annotated	Mild	
C=CCC(C)(C)c1nc2cc(I)cnc2[nH]1	ZINC000587954460	EG	Annotated	Mild	
C=CCC(C)(C)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1	ZINC000587954468	EG	Annotated	Mild	
CC(C)(CC(=O)O)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	ZINC000587954762	EG	Annotated	Anodyne	
CC(C)(CC(=O)O)Cc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587954932	EG	Annotated	Anodyne	
CC(C)(CC(=O)O)Cc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587955209	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(CC(C)(C)CC(=O)O)nc12	ZINC000587955245	EG	Annotated	Anodyne	
CC(C)(CC(=O)O)Cc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587955466	EG	Annotated	Mild	
Oc1nc(O)c2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2n1	ZINC000587955518	EG	Annotated	Anodyne	
Oc1nc(O)c2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2n1	ZINC000587955519	EG	Annotated	Anodyne	
CC(C)(CC(=O)O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587955544	EG	Annotated	Mild	
CC(C)(CC(=O)O)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587955848	EG	Annotated	Anodyne	
CC(C)(CC(=O)O)Cc1nc2ccc(Br)c(O)c2[nH]1	ZINC000587955852	EG	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1	ZINC000587956433	EG	Annotated	Anodyne	
CC#CCCCCCCCc1nc2ccc(S(N)(=O)=O)cc2[nH]1	ZINC000587956942	EG	Annotated	Mild	
CCc1ccc(C(=O)CCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1	ZINC000587956970	EG	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1	ZINC000587957124	EG	Annotated	Anodyne	
CCc1ccc(C(=O)CCc2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587957182	EG	Annotated	Anodyne	
CC#CCCCCCCCc1nc2cccc(S(N)(=O)=O)c2[nH]1	ZINC000587957266	EG	Annotated	Mild	
CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000587957443	EG	Annotated	Anodyne	
Cc1ccccc1-c1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)cc1	ZINC000587958627	EG	Annotated	Anodyne	
Cc1ccc(C)c(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1	ZINC000587958735	EG	Annotated	Anodyne	
Cc1ccc(C)c(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1	ZINC000587958802	EG	Annotated	Anodyne	
CC[C@@]1(Cc2nc3cc(N)c(N)cc3[nH]2)CC(=O)c2ccccc2C1	ZINC000587959042	EG	Annotated	Anodyne	
CC[C@]1(Cc2nc3cc(N)c(N)cc3[nH]2)CC(=O)c2ccccc2C1	ZINC000587959045	EG	Annotated	Anodyne	
O=S(=O)(O)c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1	ZINC000587959122	EG	Annotated	Anodyne	
N#Cc1nc2nc(Cc3ccccc3-c3ccccc3)[nH]c2nc1C#N	ZINC000587959292	EG	Annotated	Mild	
Clc1ncc(I)c2nc(CC3CC3)[nH]c12	ZINC000587959481	EG	Annotated	Anodyne	
Cc1nc2[nH]c(CC[C@@H](C)CC(=O)O)nc2cc1Br	ZINC000587959801	EG	Annotated	Anodyne	
Brc1cnc(Br)c2[nH]c(CC3CC3)nc12	ZINC000587959842	EG	Annotated	Anodyne	
Cc1ccccc1-c1ccc(Cc2nc3c(O)nc(=N)[nH]c3[nH]2)cc1	ZINC000587959889	EG	Annotated	Anodyne	
C[C@H](CCC(=O)O)Cc1nc2ccc(Br)c(O)c2[nH]1	ZINC000587959959	EG	Annotated	Anodyne	
C[C@H](CCc1nc2c(Br)cnc(Cl)c2[nH]1)CC(=O)O	ZINC000587959979	EG	Annotated	Anodyne	
C[C@H](CCc1nc2c(Cl)c(Br)cnc2[nH]1)CC(=O)O	ZINC000587960277	EG	Annotated	Anodyne	
Brc1c[nH]c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc-2n1	ZINC000587960382	EG	Annotated	Anodyne	
CN(C)S(=O)(=O)c1cccc2nc(CC3CCCCCC3)[nH]c12	ZINC000587960401	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(C[C@H](C)CCC(=O)O)nc12	ZINC000587960440	EG	Annotated	Anodyne	
Cc1nc2[nH]c(C[C@H](C)CCC(=O)O)nc2cc1Br	ZINC000587960447	EG	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1	ZINC000587960461	EG	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1	ZINC000587960497	EG	Annotated	Anodyne	
C[C@H](CCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)CC(=O)O	ZINC000587960705	EG	Annotated	Mild	
C[C@H](CCC(=O)O)Cc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587961024	EG	Annotated	Mild	
C[C@H](CCC(=O)O)Cc1nc2c(Cl)c(Br)cnc2[nH]1	ZINC000587961368	EG	Annotated	Anodyne	
C[C@H](CCC(=O)O)Cc1nc2c(Br)cnc(Cl)c2[nH]1	ZINC000587961374	EG	Annotated	Anodyne	
C[C@H](CCc1nc2ccc(Br)c(O)c2[nH]1)CC(=O)O	ZINC000587961516	EG	Annotated	Anodyne	
N#Cc1cc(Cl)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1	ZINC000587961595	EG	Annotated	Mild	
O=C(O)Cc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1	ZINC000587961665	EG	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1	ZINC000587961674	EG	Annotated	Anodyne	
Cc1c(Br)cnc2[nH]c(CC[C@@H](C)CC(=O)O)nc12	ZINC000587961686	EG	Annotated	Anodyne	
CC[C@@]1(Cc2nc3ccc(C(N)=O)cc3[nH]2)CC(=O)c2ccccc2C1	ZINC000587961693	EG	Annotated	Anodyne	
CC[C@]1(Cc2nc3ccc(C(N)=O)cc3[nH]2)CC(=O)c2ccccc2C1	ZINC000587961694	EG	Annotated	Anodyne	
C[C@H](CCC(=O)O)Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1	ZINC000587961843	EG	Annotated	Mild	
C[C@H](CCc1nc2cc(C#N)cc(Br)c2[nH]1)CC(=O)O	ZINC000587961846	EG	Annotated	Mild	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587961944	EG	Annotated	Mild	
C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587961946	EG	Annotated	Mild	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587961948	EG	Annotated	Mild	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C#N)cc(Br)c2[nH]1	ZINC000587961950	EG	Annotated	Mild	
O=C(O)Cc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1	ZINC000587962022	EG	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	ZINC000587962069	EG	Annotated	Bother	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(F)cnc(Br)c2[nH]1	ZINC000587962376	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(F)cnc(Br)c2[nH]1	ZINC000587962378	EG	Annotated	Anodyne	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(F)cnc(Br)c2[nH]1	ZINC000587962379	EG	Annotated	Anodyne	
C[C@H]1C(=O)CC[C@H]1Cc1nc2c(F)cnc(Br)c2[nH]1	ZINC000587962381	EG	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1	ZINC000587962754	EG	Annotated	Anodyne	
O=C(O)Cc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1	ZINC000587962784	EG	Annotated	Anodyne	
C[C@H](CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)CC(=O)O	ZINC000587962918	EG	Annotated	Anodyne	
C[C@H](CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)CC(=O)O	ZINC000587963133	EG	Annotated	Anodyne	
C[C@H](CCC(=O)O)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587963573	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587963782	EG	Annotated	Anodyne	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587963783	EG	Annotated	Anodyne	
C[C@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587963784	EG	Annotated	Anodyne	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	ZINC000587963785	EG	Annotated	Anodyne	
Cc1ccc(C(=O)/C=C\c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587965072	EG	Annotated	Mild	
Cc1ccc(C(=O)/C=C/c2nc3c(S)nc(S)nc3[nH]2)cc1	ZINC000587965075	EG	Annotated	Mild	
O=C(O)/C=C/C=C\c1nc2ncc(Br)c(Cl)c2[nH]1	ZINC000587965398	EG	Annotated	Anodyne	
O=C(O)/C=C/C=C/c1nc2ncc(Br)c(Cl)c2[nH]1	ZINC000587965399	EG	Annotated	Anodyne	
O=C(O)/C=C/C=C\c1nc2c(Cl)ncc(Br)c2[nH]1	ZINC000587965662	EG	Annotated	Anodyne	
O=C(O)/C=C/C=C/c1nc2c(Cl)ncc(Br)c2[nH]1	ZINC000587965663	EG	Annotated	Anodyne	
Cc1ccc(C(=O)/C=C\c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1	ZINC000587965914	EG	Annotated	Mild	
Cc1ccc(C(=O)/C=C/c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1	ZINC000587965924	EG	Annotated	Mild	
NS(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1	ZINC000587966017	EG	Annotated	Anodyne	
Ic1cnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	ZINC000587966435	EG	Annotated	Anodyne	
Cc1ccc(C(=O)/C=C\c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000587966562	EG	Annotated	Mild	
Cc1ccc(C(=O)/C=C/c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1	ZINC000587966565	EG	Annotated	Mild	
NS(=O)(=O)c1cccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12	ZINC000587966665	EG	Annotated	Anodyne	
CC/C(=C\c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(C)cc1	ZINC000587967650	EG	Annotated	Anodyne	
CC/C(=C/c1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(C)cc1	ZINC000587967651	EG	Annotated	Anodyne	
Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc-2[nH]1	ZINC000587967721	EG	Annotated	Anodyne	
O=C(O)/C=C/C=C\c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1	ZINC000587967848	EG	Annotated	Anodyne	
O=C(O)/C=C/C=C/c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1	ZINC000587967870	EG	Annotated	Anodyne	
C(=C1C2CC3CC(C2)CC1C3)c1nc2ccc(-n3cnnn3)cc2[nH]1	ZINC000587967973	EG	Annotated	Anodyne	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	ZINC000587968222	EG	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cncc(Br)c4[nH]1)(C3)C2	ZINC000587968353	EG	Annotated	Anodyne	
COc1cc(OC)c2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1	ZINC000587968449	EG	Annotated	Anodyne	
Cc1ccc(C(=O)/C=C\c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587968625	EG	Annotated	Mild	
Cc1ccc(C(=O)/C=C/c2nc3nc(Br)c[nH]c-3n2)cc1	ZINC000587968628	EG	Annotated	Mild	
N#Cc1nc(Cl)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12	ZINC000587968795	EG	Annotated	Mild	
O=C(O)/C=C/C=C\c1nc2c(F)c(F)c(Br)cc2[nH]1	ZINC000587969356	EG	Annotated	Anodyne	
O=C(O)/C=C/C=C/c1nc2c(F)c(F)c(Br)cc2[nH]1	ZINC000587969359	EG	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)cnc4[nH]1)(C3)C2	ZINC000587969362	EG	Annotated	Anodyne	
O=C(O)c1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1F	ZINC000587969593	EG	Annotated	Anodyne	
CCOC(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1	ZINC000587969596	EG	Annotated	Anodyne	
O=C(O)c1cc(F)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12	ZINC000587969598	EG	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc([N+](=O)[O-])c(F)cc4[nH]1)(C3)C2	ZINC000587969629	EG	Annotated	Bother	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccnc(Br)c4[nH]1)(C3)C2	ZINC000587969662	EG	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc5c(cc4[nH]1)OCCCO5)(C3)C2	ZINC000587969697	EG	Annotated	Anodyne	
Cc1cc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2cc1[N+](=O)[O-]	ZINC000587969729	EG	Annotated	Bother	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)ncc4[nH]1)(C3)C2	ZINC000587969988	EG	Annotated	Anodyne	
COc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cc1OC	ZINC000587970028	EG	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(Br)nc4[nH]1)(C3)C2	ZINC000587970105	EG	Annotated	Anodyne	
O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Br)ccnc4[nH]1)(C3)C2	ZINC000587970121	EG	Annotated	Anodyne	
O=C1CCc2cc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3cc2N1	ZINC000587970152	EG	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3c(Cl)ncnc3[nH]2)CC1	ZINC000587970556	EG	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3nc(Cl)c[nH]c-3n2)CC1	ZINC000587970950	EG	Annotated	Anodyne	
O=C1CCC(c2ccccc2)(c2nc3cnc(Cl)[nH]c-3n2)CC1	ZINC000587971154	EG	Annotated	Anodyne	
O=C(O)[C@H]1C(c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H]1C(=O)O	ZINC000587971309	EG	Annotated	Bother	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	ZINC000587971310	EG	Annotated	Bother	
O=C(O)[C@H]1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H]1C(=O)O	ZINC000587971311	EG	Annotated	Bother	
CC(=O)O[C@@H]1C=CC(=O)[C@@]2(CC(=O)O[C@H]2/C=C(\C)CCC=C(C)C)C1	ZINC000059064511	EG	Annotated	Mild	 
CC(C)=CCC(=O)[C@]1(O)C=C(C(=O)C(C)C)C(=O)[C@H]1CC=C(C)C	ZINC000059064675	EG	Annotated	Mild	in-vitro
CC(C)=CCC(=O)[C@]1(O)C=C(C(=O)C(C)C)C(=O)[C@@H]1CC=C(C)C	ZINC000059064679	EG	Annotated	Mild	in-vitro
O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccc(Cl)cc1	ZINC000059085507	EG	Annotated	Anodyne	
CC1(C)C=Cc2c(c(O)cc3c(=O)c4c(O)cc(O)cc4oc23)O1	ZINC000059086159	EG	Annotated	Bother	
N#Cc1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1	ZINC000059113584	EG	Annotated	Mild	
O=C1OC(=O)c2c1cc1ccc(O)c3oc4cc(O)c(O)cc4c2c13	ZINC000059149142	EG	Annotated	Reactive	in-vitro biogenic
Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CC1	ZINC000059261986	EG	Annotated	Anodyne	
Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CC1	ZINC000059261988	EG	Annotated	Anodyne	
Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1	ZINC000059261998	EG	Annotated	Anodyne	
Cc1cc(NC(=O)C2CC2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1	ZINC000059262000	EG	Annotated	Anodyne	
CN1CCC[C@@]2(CCN(Cc3cnc(-c4ccccc4)s3)C2)C1=O	ZINC000059387695	EG	Annotated	Anodyne	 
CN1CCC[C@]2(CCN(Cc3cnc(-c4ccccc4)s3)C2)C1=O	ZINC000059387697	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)c1ccc(C[S@@](=O)c2ccccc2)o1	ZINC000059524101	EG	Annotated	Anodyne	
C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2	ZINC000059587003	EG	Annotated	Anodyne	in-vitro biogenic
C/C1=C/C[C@]2(C(C)C)CC[C@@](C)(O2)[C@H](O)CC[C@@](C)(O)[C@@H](O)CC1	ZINC000059588067	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(C=COC1)O2	ZINC000059588656	EG	Annotated	Anodyne	in-vitro biogenic
C=C[C@]1(C)CC2=CC[C@H]3[C@](C)(C(=O)O)C[C@H](O)C[C@]3(C)[C@H]2C[C@H]1O	ZINC000059589071	EG	Annotated	Mild	in-vitro biogenic
O=C1CN2COC[C@@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1	ZINC000059676610	EG	Annotated	Anodyne	
O=C1CN2COC[C@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1	ZINC000059676612	EG	Annotated	Anodyne	
COc1ccc2c(c1)O[C@H](OC)[C@H]1c3cc4c(cc3O[C@H]21)OCO4	ZINC000059729470	EG	Annotated	Anodyne	 
COc1ccc2c(c1)O[C@@H](OC)[C@H]1c3cc4c(cc3O[C@H]21)OCO4	ZINC000059729473	EG	Annotated	Anodyne	 
C=C1C[C@@H](O)/C=C(\C)CC[C@@H]2/C(=C\C=C\C(C)(C)O)C(=O)OC[C@@H]12	ZINC000059779326	EG	Annotated	Mild	
c1cncc([C@@H](c2nnnn2C2CCCCC2)N2CCCCC2)c1	ZINC000059846597	EG	Annotated	Anodyne	 
c1cncc([C@H](c2nnnn2C2CCCCC2)N2CCCCC2)c1	ZINC000059846598	EG	Annotated	Anodyne	 
O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12	ZINC000059846723	EG	Annotated	Clean	 
O=C(NCCF)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@H]2C=CC[C@@H]21	ZINC000059846725	EG	Annotated	Clean	 
CN(Cc1ccccn1)Cc1nc(Cc2ccccc2Cl)no1	ZINC000059897139	EG	Annotated	Anodyne	 
O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@H]12	ZINC000059932870	EG	Annotated	Clean	 
O=C(NC1CC1)[C@@H]1Nc2ccc(OC(F)(F)F)cc2[C@@H]2C=CC[C@@H]12	ZINC000059932874	EG	Annotated	Clean	 
CCOC(=O)N1CCC2(CC1)C[C@@](C(C)=O)(c1ccccc1)[C@H](C)O2	ZINC000006001636	EG	Annotated	Anodyne	
CCOC(=O)N1CCC2(CC1)C[C@@](C(C)=O)(c1ccccc1)[C@@H](C)O2	ZINC000006001639	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@@H]3C=C4OC(=O)C(CO)=C4[C@H]4O[C@@]34CC[C@H]12	ZINC000006002353	EG	Annotated	Anodyne	
Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccccc1)CS3	ZINC000006006827	EG	Annotated	Anodyne	
COc1cccc([C@@]23CCC[C@@H](C2)NC[C@@H]3Br)c1OC	ZINC000006010276	EG	Annotated	Reactive	
COc1cccc([C@]23CCC[C@H](C2)NC[C@@H]3Br)c1OC	ZINC000006010277	EG	Annotated	Reactive	
O=CN(CCN1CCCC1)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1	ZINC000006018028	EG	Annotated	Anodyne	
CCc1nnc(S)n1/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000006018836	EG	Annotated	Mild	
CN[C@@H](C)[C@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1	ZINC000006019713	EG	Annotated	Bother	
CN[C@H](C)[C@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1	ZINC000006019714	EG	Annotated	Bother	
CN[C@@H](C)[C@@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1	ZINC000006019715	EG	Annotated	Bother	
CN[C@H](C)[C@@H](O)c1ccc2oc3cc(=O)c4ccccc4c-3nc2c1	ZINC000006019716	EG	Annotated	Bother	
C=C1[C@H](O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3	ZINC000006032272	EG	Annotated	Mild	 
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C[C@]12CCCC=CCO2	ZINC000006040520	EG	Annotated	Anodyne	
C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F	ZINC000006047109	EG	Annotated	Mild	 
C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F	ZINC000006047111	EG	Annotated	Mild	 
C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccccc1OC(F)F	ZINC000006047113	EG	Annotated	Mild	 
C[C@H]1CCCC[C@@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1	ZINC000006048994	EG	Annotated	Mild	 
C[C@@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1	ZINC000006048996	EG	Annotated	Mild	 
C[C@H]1CCCC[C@H]1NC(=O)CO/N=C/c1ccc(OC(F)F)cc1	ZINC000006048997	EG	Annotated	Mild	 
COc1cc2c3c(c1O)-c1c(ccc(O)c1OC)C[C@@H]3[N+](C)(C)CC2	ZINC000006068285	EG	Annotated	Bother	
C[N+]1(C)[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4	ZINC000006068316	EG	Annotated	Bother	 
CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2cc(C)oc2C)c1C	ZINC000006084643	EG	Annotated	Reactive	
CC(=O)c1c(C)[nH]c(C2=NN=C(NCc3ccccc3)SC2)c1C	ZINC000006111889	EG	Annotated	Anodyne	
C[C@@H]1CCCN1c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1	ZINC000006139230	EG	Annotated	Anodyne	
C[C@H]1CN(c2ccc3nc(O)c(-c4ccccc4)nc3n2)C[C@@H](C)O1	ZINC000006139241	EG	Annotated	Anodyne	
C[C@@H]1CN(c2ccc3nc(O)c(-c4ccccc4)nc3n2)C[C@@H](C)O1	ZINC000006139245	EG	Annotated	Anodyne	
C[C@H]1CN(c2ccc3nc(O)c(-c4ccccc4)nc3n2)C[C@H](C)O1	ZINC000006139285	EG	Annotated	Anodyne	
COC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1	ZINC000006145279	EG	Annotated	Anodyne	
COC(=O)[C@H]1C[C@@H]1[C@H](NC(=O)Oc1ccc(F)cc1)c1ccccc1	ZINC000006145313	EG	Annotated	Anodyne	 
C[C@H](O)Cc1c(O)c(O)c2c(c1O)C(=O)C[C@H]1C(C)(C)CCC[C@]21C	ZINC000006201009	EG	Annotated	Clean	 
CN(C)c1cccc(NC2=CC(=[N+]3CCOCC3)CC(C)(C)C2)c1	ZINC000006201936	EG	Annotated	Anodyne	 
CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@H]23	ZINC000006202092	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]13O[C@H]1C1=C(CO)C(=O)OC1=C[C@H]23	ZINC000006202101	EG	Annotated	Anodyne	
CCOC(=O)c1c(C)[nH]c(/C(C)=N/NC(=O)c2cccs2)c1C	ZINC000006206602	EG	Annotated	Reactive	 
COC(=O)c1cc(/N=N\c2sc(N)nc2C)cc(C(=O)OC)c1	ZINC000006235761	EG	Annotated	Clean	 
CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@H](C(=O)O)C1)[C@H]32	ZINC000006366364	EG	Annotated	Anodyne	 
CC[C@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4[C@@H](C(=O)O)C1)[C@H]32	ZINC000006366365	EG	Annotated	Anodyne	 
CCCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2cscc21	ZINC000006380388	EG	Annotated	Anodyne	 
CCCOn1c(Sc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O	ZINC000006380741	EG	Annotated	Anodyne	
CCCOn1c(Sc2cc(C)cc(C)c2)c(C2CC2)c(=O)[nH]c1=O	ZINC000006380761	EG	Annotated	Anodyne	
CCCOn1c(Sc2cc(C)cc(C)c2)c(CCC)c(=O)[nH]c1=O	ZINC000006381479	EG	Annotated	Anodyne	
CCN1c2ncccc2C(=O)N(C)c2ccc(N3CCCCC3)nc21	ZINC000006385170	EG	Annotated	Anodyne	
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3nccs3)nc21	ZINC000006385178	EG	Annotated	Anodyne	
CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)CCN2	ZINC000006403198	EG	Annotated	Anodyne	
CCOC(=O)c1sc2cc(-c3ccc(F)cc3)oc(=O)c2c1N	ZINC000006403614	EG	Annotated	Anodyne	
COc1ccc(O[C@H](C(=O)O)c2ccccc2)c2c1CCCC2=O	ZINC000006404093	EG	Annotated	Anodyne	
Cc1cc(O)c(C(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)c(=O)o1	ZINC000006418420	EG	Annotated	Mild	 
CCSCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O	ZINC000006425259	EG	Annotated	Anodyne	
CCO[C@H](CC)n1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O	ZINC000006425270	EG	Annotated	Anodyne	
CCO[C@@H](CC)n1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O	ZINC000006425279	EG	Annotated	Anodyne	
CN(C)P(=O)(Oc1occc1[C@H](O)Cc1ccccc1)N(C)C	ZINC000006437200	EG	Annotated	Anodyne	 
C[C@]12OC[C@H](c3ccccc3)N1C(=O)[C@H]1[C@H]2CC12SCCS2	ZINC000006442437	EG	Annotated	Anodyne	
CN1/C(=C\C=N/NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21	ZINC000006473648	EG	Annotated	Reactive	
C[C@H]1C[C@H](C[C@]2(C)c3c(c4ccccc4oc3=O)O[C@@H]2C)OC1=O	ZINC000006481491	EG	Annotated	Anodyne	 
C[C@H]1C[C@@H](C[C@]2(C)c3c(c4ccccc4oc3=O)O[C@@H]2C)OC1=O	ZINC000006481587	EG	Annotated	Anodyne	 
COC(=O)c1nc2c3ccccc3[nH]c3cccc(c1C(=O)OC)c32	ZINC000006482017	EG	Annotated	Bother	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@H]1CCC(=O)N2	ZINC000006482908	EG	Annotated	Anodyne	 
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@H]1CCC(=O)N2	ZINC000006482914	EG	Annotated	Anodyne	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1CCC(=O)N2	ZINC000006482919	EG	Annotated	Anodyne	
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1CCC(=O)N2	ZINC000006482927	EG	Annotated	Anodyne	
COc1nc2ccc(Cl)c([C@@H](O)c3ccccc3)c2nc1OC	ZINC000006483456	EG	Annotated	Anodyne	
Cc1nn(C(=O)c2ccncc2)c2c1[C@H](c1ccccc1)SC(=N)N2	ZINC000006483972	EG	Annotated	Anodyne	
C[C@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O	ZINC000006487782	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3	ZINC000006491266	EG	Annotated	Anodyne	in-vitro biogenic
CC1=C[C@H](C[C@]2(C)c3c(c4c(C)cccc4oc3=O)O[C@@H]2C)OC1=O	ZINC000006491442	EG	Annotated	Anodyne	
CC(C)c1nn2c(N)c(/C=C3\C=Nc4ccccc43)c(=O)nc2s1	ZINC000006493157	EG	Annotated	Anodyne	 
C[C@@H]1O[C@](C#CC2CC2)(C(F)(F)F)c2cc(F)ccc2NC1=O	ZINC000006494581	EG	Annotated	Mild	
CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1cscn1	ZINC000006496865	EG	Annotated	Anodyne	 
CCc1nnc(S)n1/N=C/c1c(C)nn(-c2ccccc2)c1Cl	ZINC000006497102	EG	Annotated	Mild	 
C[C@H](O)CCCC(=O)CCC/C=C/c1cc(O)cc(O)c1C(=O)O	ZINC000060196162	EG	Annotated	Anodyne	in-vitro
CC(C)[C@H]1/C=C/[C@@](C)(O)CC[C@@H](O)[C@](C)(O)Cc2cc(co2)CC1	ZINC000060288626	EG	Annotated	Anodyne	
Cc1cc(C)n(/N=C/c2cc3ccccc3nc2Cl)c(=O)c1C#N	ZINC000060686179	EG	Annotated	Mild	
Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(C#N)c1	ZINC000061895617	EG	Annotated	Mild	 
Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)Nc1cccc(C#N)c1	ZINC000061895618	EG	Annotated	Mild	 
O=C(NCc1ccco1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1	ZINC000061895799	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1	ZINC000061895800	EG	Annotated	Anodyne	 
CCCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(OC(F)F)cc1	ZINC000061896006	EG	Annotated	Anodyne	 
CCCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(OC(F)F)cc1	ZINC000061896007	EG	Annotated	Anodyne	 
C=CCNc1nc2cc(-c3ccccc3OC)sc2c(=O)n1C	ZINC000061896072	EG	Annotated	Mild	 
CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccc(N(C)C)cc1	ZINC000061896196	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccc(N(C)C)cc1	ZINC000061896197	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc3oc(CC)nc3c2)C1	ZINC000061896287	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc3oc(CC)nc3c2)C1	ZINC000061896288	EG	Annotated	Anodyne	 
CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1	ZINC000061896336	EG	Annotated	Anodyne	 
CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3sccc3c2)C1	ZINC000061896338	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1	ZINC000061896358	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(-n3ccnc3)cc2)C1	ZINC000061896360	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCN(C(=O)Cc2ccc3ccccc3c2)C1	ZINC000061896747	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc3ccccc3c2)C1	ZINC000061896748	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc3scnc3c2)C1	ZINC000061897572	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc3scnc3c2)C1	ZINC000061897575	EG	Annotated	Anodyne	 
COc1ccc(OC)c([C@H](O)c2nc(-c3ccccc3OC)c[nH]2)c1	ZINC000061898134	EG	Annotated	Anodyne	 
COc1ccc(OC)c([C@@H](O)c2nc(-c3ccccc3OC)c[nH]2)c1	ZINC000061898137	EG	Annotated	Anodyne	 
CCCC(=O)N1CCC[C@@]1(C)C(=O)NCc1c(F)ccc(C)c1F	ZINC000061898316	EG	Annotated	Anodyne	 
CCCC(=O)N1CCC[C@]1(C)C(=O)NCc1c(F)ccc(C)c1F	ZINC000061898318	EG	Annotated	Anodyne	 
COc1ccc(-c2csc([C@H](O)c3ccc(F)c(OC)c3)n2)cn1	ZINC000061898626	EG	Annotated	Anodyne	 
COc1ccc(-c2csc([C@@H](O)c3ccc(F)c(OC)c3)n2)cn1	ZINC000061898629	EG	Annotated	Anodyne	 
COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccsc2)c1	ZINC000061902392	EG	Annotated	Anodyne	 
COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccsc2)c1	ZINC000061902394	EG	Annotated	Anodyne	 
O=C(Nc1cccc2ccccc12)c1csc(COCCO)n1	ZINC000061902492	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@]1(C)CCCCN1CC(=O)c1ccc(OC)cc1	ZINC000061902520	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@@]1(C)CCCCN1CC(=O)c1ccc(OC)cc1	ZINC000061902521	EG	Annotated	Anodyne	 
CC(C)=C(C)c1cc2nc(NCCCN(C)C)n(C)c(=O)c2s1	ZINC000061902539	EG	Annotated	Anodyne	 
COc1ccc([C@@H](O)c2ncc(-c3ccccc3OC)[nH]2)cc1F	ZINC000061902740	EG	Annotated	Anodyne	 
COc1ccc([C@H](O)c2ncc(-c3ccccc3OC)[nH]2)cc1F	ZINC000061902741	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCN(C(=O)c2c(Cl)cccc2Cl)C1	ZINC000061902821	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCN(C(=O)c2c(Cl)cccc2Cl)C1	ZINC000061902822	EG	Annotated	Anodyne	 
COCCNc1nc(NCc2ccccc2OC)c2sccc2n1	ZINC000061903270	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1	ZINC000061903376	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCN(C(=O)c2oc3ccccc3c2C)C1	ZINC000061903377	EG	Annotated	Anodyne	 
CCCC(=O)N1CCC[C@@]1(C)C(=O)NCc1ccc(SC)cc1	ZINC000061903487	EG	Annotated	Anodyne	 
CCCC(=O)N1CCC[C@]1(C)C(=O)NCc1ccc(SC)cc1	ZINC000061903488	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@]1(C)CCN1C(=O)c1oc2ccccc2c1C	ZINC000061903569	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1oc2ccccc2c1C	ZINC000061903570	EG	Annotated	Anodyne	 
CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)OCC(C)C)on1	ZINC000061903683	EG	Annotated	Anodyne	 
CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)OCC(C)C)on1	ZINC000061903684	EG	Annotated	Anodyne	 
COc1cccc(-c2cnc([C@H](O)c3ccc(OC)c(F)c3)[nH]2)c1	ZINC000061903772	EG	Annotated	Anodyne	 
COc1cccc(-c2cnc([C@@H](O)c3ccc(OC)c(F)c3)[nH]2)c1	ZINC000061903773	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@]1(C)CCCCCN1C(=O)c1cc(C#N)cs1	ZINC000061904102	EG	Annotated	Mild	 
CC(C)CNC(=O)[C@@]1(C)CCCCCN1C(=O)c1cc(C#N)cs1	ZINC000061904103	EG	Annotated	Mild	 
CC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc3nc(C)ccc3c2)C1	ZINC000061904124	EG	Annotated	Anodyne	 
CC(=O)N1CCC[C@](C)(C(=O)Nc2ccc3nc(C)ccc3c2)C1	ZINC000061904125	EG	Annotated	Anodyne	 
C=CCOc1cccn2c(N(C)C(=O)c3ccncc3)c(CC)nc12	ZINC000061904157	EG	Annotated	Mild	 
CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cnn(C)c2)cs1	ZINC000061904418	EG	Annotated	Anodyne	 
CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cnn(C)c2)cs1	ZINC000061904419	EG	Annotated	Anodyne	 
Cn1cc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)cn1	ZINC000061904518	EG	Annotated	Anodyne	 
Cn1cc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)cn1	ZINC000061904519	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(C)c(F)c1	ZINC000061904609	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(C)c(F)c1	ZINC000061904610	EG	Annotated	Anodyne	 
COCCNc1nc2cc(-c3ccccc3C)sc2c(=O)n1C	ZINC000061904738	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCN(Cc2cc(-c3ccccc3)on2)C1	ZINC000061904934	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCN(Cc2cc(-c3ccccc3)on2)C1	ZINC000061904935	EG	Annotated	Anodyne	 
CC(C)Oc1cccc(NC(=O)[C@]2(C)CCCN2C(=O)C(C)C)c1	ZINC000061905043	EG	Annotated	Anodyne	 
CC(C)Oc1cccc(NC(=O)[C@@]2(C)CCCN2C(=O)C(C)C)c1	ZINC000061905044	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)CCN1C(=O)c1ccc(SC(F)(F)F)cc1	ZINC000061905297	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(C)CCN1C(=O)c1ccc(SC(F)(F)F)cc1	ZINC000061905298	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(OC(F)F)cc1	ZINC000061905451	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(OC(F)F)cc1	ZINC000061905452	EG	Annotated	Anodyne	 
C[C@]1(C(=O)O)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1	ZINC000061905469	EG	Annotated	Anodyne	 
C[C@@]1(C(=O)O)CCCN(C(=O)c2cccnc2Oc2ccccc2)C1	ZINC000061905470	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)CCN1C(=O)c1cccnc1Oc1ccccc1	ZINC000061905772	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(C)CCN1C(=O)c1cccnc1Oc1ccccc1	ZINC000061905773	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1	ZINC000061905842	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@]1(C)C(=O)Nc1ccc2nc(C)ccc2c1	ZINC000061905843	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1	ZINC000061905996	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1	ZINC000061905997	EG	Annotated	Anodyne	 
COc1ccc([C@H](O)c2nc(-c3ccc(OC)nc3)cs2)cc1	ZINC000061906878	EG	Annotated	Anodyne	 
COc1ccc([C@@H](O)c2nc(-c3ccc(OC)nc3)cs2)cc1	ZINC000061906879	EG	Annotated	Anodyne	 
C[C@]1(C(=O)Nc2ccccc2)CCN1C(=O)C1(c2ccccc2)CC1	ZINC000061907124	EG	Annotated	Anodyne	 
C[C@@]1(C(=O)Nc2ccccc2)CCN1C(=O)C1(c2ccccc2)CC1	ZINC000061907125	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@]1(C)CCCN1Cc1ccccc1OC(F)F	ZINC000061907324	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@@]1(C)CCCN1Cc1ccccc1OC(F)F	ZINC000061907325	EG	Annotated	Anodyne	 
COc1cccc([C@@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)c1	ZINC000061907337	EG	Annotated	Anodyne	 
COc1cccc([C@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)c1	ZINC000061907338	EG	Annotated	Anodyne	 
CSCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000061907468	EG	Annotated	Anodyne	 
CSCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000061907469	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1	ZINC000061907495	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1	ZINC000061907496	EG	Annotated	Anodyne	 
COc1ccc([C@H](O)c2nc(-c3cccc(CO)c3)cs2)cc1	ZINC000061907810	EG	Annotated	Anodyne	 
COc1ccc([C@@H](O)c2nc(-c3cccc(CO)c3)cs2)cc1	ZINC000061907811	EG	Annotated	Anodyne	 
CC(C)NC(=O)[C@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1	ZINC000061907834	EG	Annotated	Anodyne	 
CC(C)NC(=O)[C@@]1(C)Cc2c(-c3ccc(N(C)C)cc3)ccnc2O1	ZINC000061907835	EG	Annotated	Anodyne	 
COc1ccc(-c2c[nH]c([C@H](O)c3ccc(OC)c(F)c3)n2)cc1	ZINC000061908123	EG	Annotated	Anodyne	 
COc1ccc(-c2c[nH]c([C@@H](O)c3ccc(OC)c(F)c3)n2)cc1	ZINC000061908124	EG	Annotated	Anodyne	 
COCCCNC(=O)c1ccc(-c2c(C)noc2C)c2ccoc12	ZINC000061908321	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@]1(C)CCN1C(=O)c1ccc2sccc2c1	ZINC000061908341	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1ccc2sccc2c1	ZINC000061908342	EG	Annotated	Anodyne	 
CCCNC(=O)[C@]1(C)CCN(C(=O)c2ccc3sccc3c2)C1	ZINC000061908429	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3sccc3c2)C1	ZINC000061908430	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1	ZINC000061908904	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1	ZINC000061908905	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCc2onc(-c3ccccc3F)c2C1=O	ZINC000061920903	EG	Annotated	Anodyne	 
COc1ccccc1-c1noc2c1C(=O)N(C(=O)OC(C)(C)C)CC2	ZINC000061920908	EG	Annotated	Anodyne	 
C[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O	ZINC000061921287	EG	Annotated	Anodyne	 
C[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccccc1c2=O	ZINC000061921288	EG	Annotated	Anodyne	 
C[C@H]1CN(CCc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1	ZINC000061923320	EG	Annotated	Anodyne	 
Fc1ccc(NC(=S)N2Cc3ccccc3-n3nncc3C2)cc1	ZINC000061924048	EG	Annotated	Anodyne	 
COC(=O)CCN1CC[C@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12	ZINC000061924186	EG	Annotated	Anodyne	
CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCC(C)C)CC1	ZINC000061924312	EG	Annotated	Anodyne	 
C=CCCN1[C@@H](Cc2ccccc2)COc2ccccc2S1(=O)=O	ZINC000061924409	EG	Annotated	Mild	 
CCC(=O)N1CCC[C@@](C)(C(=O)Nc2ccc(OC(F)F)cc2)C1	ZINC000061925563	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@](C)(C(=O)Nc2ccc(OC(F)F)cc2)C1	ZINC000061925564	EG	Annotated	Anodyne	 
COc1ccc([C@@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)cc1	ZINC000061926061	EG	Annotated	Anodyne	 
COc1ccc([C@](C)(O)c2nc(-c3ccc(OC)nc3)cs2)cc1	ZINC000061926062	EG	Annotated	Anodyne	 
Cc1noc(C)c1-c1ccc(C(=O)N2CCN(C)CC2)c2occc12	ZINC000061926083	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@@](C)(C(=O)Nc2nccc3ccccc23)C1	ZINC000061926348	EG	Annotated	Anodyne	 
CCC(=O)N1CCC[C@](C)(C(=O)Nc2nccc3ccccc23)C1	ZINC000061926349	EG	Annotated	Anodyne	 
O=C(NCC1CC1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1	ZINC000061926395	EG	Annotated	Anodyne	 
O=C(NCC1CC1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1	ZINC000061926396	EG	Annotated	Anodyne	 
C[C@]1(C(=O)NCc2ccco2)Cc2c(-c3ccccc3)ccnc2O1	ZINC000061926498	EG	Annotated	Anodyne	 
C[C@@]1(C(=O)NCc2ccco2)Cc2c(-c3ccccc3)ccnc2O1	ZINC000061926499	EG	Annotated	Anodyne	 
CC(C)Nc1nc(Nc2ccc(C(N)=O)cc2)c2sccc2n1	ZINC000061926529	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1	ZINC000061926598	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1	ZINC000061926599	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@]1(C)CCCN1C(=O)c1ccc2ccccc2n1	ZINC000061926969	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccc2ccccc2n1	ZINC000061926970	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1	ZINC000061927272	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(OC(F)F)cc2)C1	ZINC000061927273	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@]1(C)CCCCN1C(=O)c1ccc(F)c(C)c1	ZINC000061927311	EG	Annotated	Anodyne	 
CCCCNC(=O)[C@@]1(C)CCCCN1C(=O)c1ccc(F)c(C)c1	ZINC000061927314	EG	Annotated	Anodyne	 
COCCNc1nc(Nc2ccc(C#N)cc2)c2sccc2n1	ZINC000061927327	EG	Annotated	Mild	 
CCCCC(=O)N(C)c1c(CC)nc2c(OCCOC)cccn12	ZINC000061927801	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000061928135	EG	Annotated	Anodyne	 
CC(C)CNC(=O)[C@@]1(C)CCN1C(=O)c1ccc(C(C)(C)C)cc1	ZINC000061928137	EG	Annotated	Anodyne	 
COCCNc1nc(NCc2cccc(OC)c2)c2sccc2n1	ZINC000061928308	EG	Annotated	Anodyne	 
CCNC(=O)[C@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1	ZINC000061928326	EG	Annotated	Anodyne	 
CCNC(=O)[C@@]1(C)CCCN(C(=O)c2oc3ccccc3c2C)C1	ZINC000061928327	EG	Annotated	Anodyne	 
CCCCN(C)C(=O)c1sc(=O)n(Cc2ccccc2C#N)c1C	ZINC000061929385	EG	Annotated	Mild	 
CCCNC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1	ZINC000061929960	EG	Annotated	Anodyne	 
CCCNC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1	ZINC000061929961	EG	Annotated	Anodyne	 
CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccco4)ccnc3O2)c1	ZINC000061930088	EG	Annotated	Anodyne	 
CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccco4)ccnc3O2)c1	ZINC000061930090	EG	Annotated	Anodyne	 
Cc1ccc(-c2cc(NC=O)c3ncc(-c4cnn(C)c4)n3c2)cc1	ZINC000061930153	EG	Annotated	Anodyne	 
CC(C)C[C@H](N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1	ZINC000061930604	EG	Annotated	Anodyne	 
CC(C)C[C@@H](N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1	ZINC000061930606	EG	Annotated	Anodyne	 
CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1	ZINC000061930676	EG	Annotated	Anodyne	 
CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1	ZINC000061930677	EG	Annotated	Anodyne	 
C=CCC[C@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1	ZINC000061931230	EG	Annotated	Mild	 
C=CCC[C@@H]1CN(CCCC)S(=O)(=O)c2c(F)cccc2O1	ZINC000061931233	EG	Annotated	Mild	 
CC(C)C[C@H]1CNC(=S)N1CC1CCN(CC2CCCC2)CC1	ZINC000061936114	EG	Annotated	Anodyne	 
CN1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(-c2ccc(C#N)cc2)c1	ZINC000061942310	EG	Annotated	Mild	 
Cc1nn(-c2ncccn2)c2c1C(=O)CC(C)(C)[C@H]2Br	ZINC000061942810	EG	Annotated	Reactive	 
Cc1nn(-c2ncccn2)c2c1C(=O)CC(C)(C)[C@@H]2Br	ZINC000061942812	EG	Annotated	Reactive	 
O=c1cc2c(c(-c3ccccc3)n1Cc1ccccc1)[C@H](CCO)NC2	ZINC000061943346	EG	Annotated	Anodyne	 
O=c1cc2c(c(-c3ccccc3)n1Cc1ccccc1)[C@@H](CCO)NC2	ZINC000061943352	EG	Annotated	Anodyne	 
Cc1ccc(-c2c(C#N)c(N)n(-c3ccccc3C)c(=O)c2C#N)cc1	ZINC000061944464	EG	Annotated	Mild	 
CC(C)C[C@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000061949385	EG	Annotated	Anodyne	 
CC(C)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O	ZINC000061949387	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@H]2C#N)cc1	ZINC000061959008	EG	Annotated	Mild	 
O=C1c2ccccc2[C@@H]2C[C@@H](O)[C@H](Nc3ccccc3Cl)CCN12	ZINC000061959049	EG	Annotated	Anodyne	 
CC(=O)C[C@H](O)CC(=O)[C@H]1OC(=O)CCCCCCc2ccccc21	ZINC000061959226	EG	Annotated	Anodyne	 
CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCc2ccccc21	ZINC000061959228	EG	Annotated	Anodyne	 
CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(Br)cc1	ZINC000617964391	EG	Annotated	Anodyne	
CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(Br)cc1	ZINC000617964392	EG	Annotated	Anodyne	
NC(=O)N=Nc1c(O)n(CC(=O)Nc2ccccc2)c2ccccc12	ZINC000617978360	EG	Annotated	Clean	
CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccccc1OC(F)F	ZINC000617980874	EG	Annotated	Anodyne	
CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccccc1OC(F)F	ZINC000617980875	EG	Annotated	Anodyne	
C/N=c1\c(NC(=O)Nc2ccc(F)cc2)c(O)oc2ccccc12	ZINC000617997454	EG	Annotated	Anodyne	
C/N=c1\c(NC(=O)c2c(F)cccc2F)c(O)oc2ccccc12	ZINC000617997482	EG	Annotated	Anodyne	
C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@]31CO1	ZINC000618001835	EG	Annotated	Anodyne	
C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@@]31CO1	ZINC000618001837	EG	Annotated	Anodyne	
C[C@H]1CC(=O)[C@]23CO[C@@H]4O[C@H](c5ccoc5)C[C@@]14[C@@H]2CCC[C@]31CO1	ZINC000618001838	EG	Annotated	Anodyne	
Cc1ccc(F)cc1NC(=O)NCCSSCCN(C)C	ZINC000618007540	EG	Annotated	Reactive	
CN(C)CCSSCCCNC(=O)c1cc(F)cc(F)c1	ZINC000618007556	EG	Annotated	Reactive	
CN(C)CCSSCCCNC(=O)c1ccc(F)cc1F	ZINC000618007636	EG	Annotated	Reactive	
CN(C)CCSSCCNC(=O)Nc1ccc(Cl)cc1O	ZINC000618007780	EG	Annotated	Reactive	
Cc1ccc(F)c(NC(=O)NCCSSCCN(C)C)c1	ZINC000618007805	EG	Annotated	Reactive	
C[C@@H](O)c1ccc(NC(=O)CCSSCCN(C)C)cc1	ZINC000618007840	EG	Annotated	Reactive	
C[C@H](O)c1ccc(NC(=O)CCSSCCN(C)C)cc1	ZINC000618007848	EG	Annotated	Reactive	
Cc1ccc(NC(=O)NCCSSCCN(C)C)cc1F	ZINC000618007895	EG	Annotated	Reactive	
Cc1cc(NC(=O)NCCSSCCN(C)C)ccc1F	ZINC000618008128	EG	Annotated	Reactive	
CN(C)CCSSCCC(=O)Nc1ccc(Cl)cc1O	ZINC000618008133	EG	Annotated	Reactive	
Cc1c(C(=O)NCCSSCCN(C)C)oc2ccccc12	ZINC000618008633	EG	Annotated	Reactive	
Cc1cccc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(O)[nH]c12	ZINC000618008634	EG	Annotated	Clean	
C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@@H]2C	ZINC000618009178	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@@H](O)C[C@H]2C	ZINC000618009181	EG	Annotated	Mild	
C=C1C(=O)O[C@H]2C[C@H]1[C@H](O)C/C(C)=C\CC/C(C)=C/[C@H](O)C[C@@H]2C	ZINC000618009183	EG	Annotated	Mild	
CN(C)CCSSCCCn1cc(-c2ccc(F)cc2)nn1	ZINC000618009655	EG	Annotated	Reactive	
CN(C)CCSSCCn1cc(-c2ccc(F)cc2F)nn1	ZINC000618009826	EG	Annotated	Reactive	
CN(C)CCSSCCn1cc(-c2ccc(F)c(F)c2)nn1	ZINC000618009829	EG	Annotated	Reactive	
CN(C)CCSSCCCn1cc(-c2ccc(C#N)cc2)nn1	ZINC000618010143	EG	Annotated	Reactive	
CN(C)CCSSCCCn1cc(CC2CCCC2)nn1	ZINC000618010406	EG	Annotated	Reactive	
CN(C)CCSSCCn1cc(-c2ccc(F)cc2)nn1	ZINC000618012678	EG	Annotated	Reactive	
CCC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H](c3ccccn3)NC2=O)CC1	ZINC000618014861	EG	Annotated	Anodyne	
CCC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H](c3ccccn3)NC2=O)CC1	ZINC000618014863	EG	Annotated	Anodyne	
CCC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](c3ccccn3)NC2=O)CC1	ZINC000618014864	EG	Annotated	Anodyne	
CCC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](c3ccccn3)NC2=O)CC1	ZINC000618014865	EG	Annotated	Anodyne	
CC[C@@H](C)c1cc(C(=O)NCCCSSCCN(C)C)on1	ZINC000618016693	EG	Annotated	Reactive	
CC[C@H](C)c1cc(C(=O)NCCCSSCCN(C)C)on1	ZINC000618016694	EG	Annotated	Reactive	
OC[C@H]1C[C@@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1	ZINC000062133717	EG	Annotated	Mild	
OC[C@@H]1C[C@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1	ZINC000062133718	EG	Annotated	Mild	
OC[C@@H]1C[C@@H]2CCN1C[C@@H]2C#Cc1ccc(OCc2ccccc2)cc1	ZINC000062133720	EG	Annotated	Mild	
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc[nH]2)CC1	ZINC000062241917	EG	Annotated	Mild	
Oc1ccccc1CN=c1[nH]cc2ncccc2c1-c1cccnc1	ZINC000621430181	EG	Annotated	Clean	 
COc1c(F)ccc(CNc2ncccc2-c2ncccn2)c1O	ZINC000621430197	EG	Annotated	Clean	 
Cc1cc2nc(COc3cccc(Cl)c3Cl)cc(=O)n2o1	ZINC000621431186	EG	Annotated	Anodyne	 
CCc1c(C)c(C#N)c2nc3ccc(NC(=O)C4CC4)cc3n2c1O	ZINC000621431407	EG	Annotated	Mild	 
CCc1c(C)c(C#N)c2nc3ccc(NCc4ncc[nH]4)cc3n2c1O	ZINC000621431738	EG	Annotated	Mild	 
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)n1cccn1	ZINC000621431824	EG	Annotated	Anodyne	 
O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)n1ccnc1	ZINC000621431846	EG	Annotated	Anodyne	 
CCc1c(C)c(C#N)c2nc3ccc(Nc4ncccn4)cc3n2c1O	ZINC000621431882	EG	Annotated	Mild	 
CCc1c(C)c(C#N)c2nc3ccc(NCc4cnc[nH]4)cc3n2c1O	ZINC000621431885	EG	Annotated	Mild	 
CCCc1cc(N2CCNCC2)n2nc(C)c(-c3ccccc3)c2n1	ZINC000621432776	EG	Annotated	Anodyne	 
CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)N1C(=O)COc2ccccc21	ZINC000621442685	EG	Annotated	Anodyne	 
CC[C@H](C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)N1C(=O)COc2ccccc21	ZINC000621442687	EG	Annotated	Anodyne	 
COC(=O)c1ccccc1/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12	ZINC000621471730	EG	Annotated	Bother	 
C=CCOc1ccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OC)cc1OC	ZINC000621474208	EG	Annotated	Mild	 
C=CCOc1ccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OC)cc1OC	ZINC000621474209	EG	Annotated	Mild	 
C=CCOc1cccc([C@@H]2NC(=S)N=C(C)/C2=C(\O)OCC)c1	ZINC000621475797	EG	Annotated	Mild	 
C=CCOc1cccc([C@H]2NC(=S)N=C(C)/C2=C(\O)OCC)c1	ZINC000621475798	EG	Annotated	Mild	 
N#Cc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1	ZINC000621476373	EG	Annotated	Mild	 
O=C(O)c1cccc(N2C(=O)c3cccc4cc(O)cc(c34)C2=O)c1	ZINC000621476388	EG	Annotated	Anodyne	 
O=C(O)c1ccc(N2Cc3cc(Br)ccc3CC2=O)cc1	ZINC000621476572	EG	Annotated	Anodyne	 
O=C(O)c1ccc(N2CCc3c(Br)cccc3C2=O)cc1	ZINC000621476574	EG	Annotated	Anodyne	 
O=Cc1cccc(-n2ncc3c(OCCc4ccccc4)ncnc32)c1	ZINC000621477327	EG	Annotated	Anodyne	 
CCOC(=O)c1oc2ccccc2c1N(C(=O)C1CC1)C(=O)C1CC1	ZINC000621485603	EG	Annotated	Anodyne	 
O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@@H]1C[C@H]1c1ccccc1	ZINC000063298120	EG	Annotated	Anodyne	
CCCCS(=O)(=O)Nc1ccc2c(c1)/C(=N/O)c1ccccc1-2	ZINC000063539215	EG	Annotated	Mild	
CCc1ncc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)cn1	ZINC000064131504	EG	Annotated	Anodyne	 
CCc1ncc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)cn1	ZINC000064131505	EG	Annotated	Anodyne	 
Cc1ccc(C2=C(CCC(=O)O)[C@H](c3ccco3)NC(=S)N2)cc1	ZINC000064251820	EG	Annotated	Anodyne	
O=C(O)CCC1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccco1	ZINC000064251888	EG	Annotated	Anodyne	
CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C	ZINC000064361364	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)N(C)C	ZINC000064361365	EG	Annotated	Anodyne	
CCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)N(C)C	ZINC000064361368	EG	Annotated	Anodyne	
Cc1c(O)c(C)c2c(c1O)C(=O)C[C@@H](c1ccccc1[N+](=O)[O-])O2	ZINC000064373171	EG	Annotated	Bother	
Clc1ccccc1-c1nc(CN2CCC3(CC2)OCCO3)co1	ZINC000064399650	EG	Annotated	Anodyne	
CC(C)c1csc(-c2nnc(S)n2NC(=O)c2ccccc2)n1	ZINC000064446998	EG	Annotated	Anodyne	
C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1Br	ZINC000064447433	EG	Annotated	Anodyne	
C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1Br	ZINC000064447435	EG	Annotated	Anodyne	
CC[C@H]1S/C(=N/N=C(\C)CSc2ccc(S)cc2)NC1=O	ZINC000064447832	EG	Annotated	Mild	
CC[C@@H]1S/C(=N/N=C(\C)CSc2ccc(S)cc2)NC1=O	ZINC000064447834	EG	Annotated	Mild	
C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1Br	ZINC000064447908	EG	Annotated	Anodyne	
C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1Br	ZINC000064447910	EG	Annotated	Anodyne	
CN1c2ccccc2C(=O)N2CCc3c(n(CC#N)c4ccccc34)[C@@H]21	ZINC000064448333	EG	Annotated	Mild	
CN1c2ccccc2C(=O)N2CCc3c(n(CC#N)c4ccccc34)[C@H]21	ZINC000064448335	EG	Annotated	Mild	
COc1ccc([C@@H]2c3ccccc3O[C@H]3N=C(S)NC(=N)[C@@H]32)cc1	ZINC000064448788	EG	Annotated	Anodyne	
COc1ccc([C@H]2c3ccccc3O[C@H]3N=C(S)NC(=N)[C@H]23)cc1	ZINC000064448790	EG	Annotated	Anodyne	
COc1ccc([C@@H]2c3ccccc3O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1	ZINC000064448792	EG	Annotated	Anodyne	
COc1ccc([C@H]2c3ccccc3O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1	ZINC000064448793	EG	Annotated	Anodyne	
C[C@H]1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O	ZINC000064448929	EG	Annotated	Mild	
C[C@@H]1S/C(=N/N=C/CCSc2ccc(Cl)cc2)NC1=O	ZINC000064448930	EG	Annotated	Mild	
COc1c2c(cc3occc13)OC1(CCCCC1)C/C2=N\NC(N)=O	ZINC000064453453	EG	Annotated	Reactive	
O=P(NN1CCCCC1)(NN1CCCCC1)Oc1ccccc1	ZINC000064453786	EG	Annotated	Anodyne	
Fc1ccc(-c2cc3c(ncn4nnnc34)n2-c2ccccc2)cc1	ZINC000064454075	EG	Annotated	Anodyne	
F[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1	ZINC000064454278	EG	Annotated	Anodyne	
[O-][n+]1nc2c(-c3cccs3)cnn2c2cc(C(F)(F)F)ccc21	ZINC000064454426	EG	Annotated	Anodyne	
[O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(C(F)(F)F)ccc21	ZINC000064454428	EG	Annotated	Anodyne	
O=S1(=O)N=C(Oc2ccccc2C(F)(F)F)c2ccccc21	ZINC000064468912	EG	Annotated	Anodyne	
O=S(=O)(Cc1nnc(-c2ccccc2)s1)Nc1ccccc1	ZINC000064475139	EG	Annotated	Anodyne	
Cc1cccc(C(=O)Nc2nc(C)c(Br)s2)c1O	ZINC000064499436	EG	Annotated	Anodyne	
COc1ccc2nc(C)cc(-n3cc(CN4CCCCC4)nn3)c2c1	ZINC000064503810	EG	Annotated	Anodyne	
COc1ccc2nc(C)cc(-n3cc(CNC4CCCC4)nn3)c2c1	ZINC000064504049	EG	Annotated	Anodyne	
CCc1cc(=O)oc2c3c(c(C)c(OCC(=O)O)c12)OC(C)(C)C=C3	ZINC000064510438	EG	Annotated	Anodyne	
CS(=O)(=O)Nc1ccccc1COc1cccc2scnc12	ZINC000064512641	EG	Annotated	Anodyne	
C=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1CC	ZINC000064513891	EG	Annotated	Reactive	
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1F	ZINC000064513979	EG	Annotated	Anodyne	
NCc1ccccc1-c1cccc(-c2cc(=O)n(O)c3ncccc23)c1	ZINC000064526508	EG	Annotated	Anodyne	
NCc1cccc(-c2cccc(-c3cc(=O)n(O)c4ncccc34)c2)c1	ZINC000064526511	EG	Annotated	Anodyne	
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccccc3)CC2)nc1	ZINC000064526915	EG	Annotated	Anodyne	
c1ccc2c3c([nH]c2c1)CN[C@H](Cn1cc(-c2ccsc2)nn1)C3	ZINC000064527133	EG	Annotated	Anodyne	
CC(=O)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H](C(C)=O)CC[C@H]1C)OO2	ZINC000064527321	EG	Annotated	Reactive	
NCc1ccc(-c2cccc(-c3cc(=O)n(O)c4ncccc34)c2)cc1	ZINC000064527348	EG	Annotated	Anodyne	
O=c1ccc(CCCOCc2ccccc2)nn1Cc1ccccc1	ZINC000064527666	EG	Annotated	Anodyne	
Cc1ccc(NS(=O)(=O)Cc2nnc(-c3ccc(C)cc3)o2)cc1	ZINC000064527758	EG	Annotated	Anodyne	
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cccc(F)c1F	ZINC000064528450	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3-n3cccc32)cc1	ZINC000064532196	EG	Annotated	Anodyne	
CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3-n3cccc32)cc1	ZINC000064532198	EG	Annotated	Anodyne	
CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F	ZINC000064539847	EG	Annotated	Bother	
CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@@H](C)NC2=O)CC1	ZINC000064539988	EG	Annotated	Anodyne	
CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@H](C)NC2=O)CC1	ZINC000064548438	EG	Annotated	Anodyne	
O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccncc1)c1ccc(O)cc1	ZINC000064548496	EG	Annotated	Anodyne	
O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccncc1)c1ccc(O)cc1	ZINC000064548497	EG	Annotated	Anodyne	
O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)c1cccnc1	ZINC000064548529	EG	Annotated	Anodyne	
O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)c1cccnc1	ZINC000064548530	EG	Annotated	Anodyne	
N#CC1=C(N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000064548655	EG	Annotated	Reactive	
N#CC1=C(N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000064549325	EG	Annotated	Reactive	
N#CC1=C(N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000064549326	EG	Annotated	Reactive	
N#CC1=C(N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000064549346	EG	Annotated	Reactive	
CCc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1	ZINC000064549619	EG	Annotated	Anodyne	
CC[C@@H](C)NCc1cn(-c2cc(C)nc3ccc(OC)cc23)nn1	ZINC000064552907	EG	Annotated	Anodyne	
CC[C@H](C)NCc1cn(-c2cc(C)nc3ccc(OC)cc23)nn1	ZINC000064552910	EG	Annotated	Anodyne	
CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@H]4C(=O)O[C@H]([C@@H]43)[C@H](O)[C@H]12	ZINC000064559125	EG	Annotated	Anodyne	
O=c1cc(CO)oc([C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1O	ZINC000064560103	EG	Annotated	Anodyne	
O=c1cc(CO)oc([C@H](c2ccccc2)c2c[nH]c3ccccc23)c1O	ZINC000064560105	EG	Annotated	Anodyne	
O=C(Cc1cccc2ncccc12)Nc1ccsc1-c1nc[nH]n1	ZINC000064560184	EG	Annotated	Anodyne	
CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C(C=O)[C@@H]2/C=C/C1=CCOC1=O	ZINC000064560458	EG	Annotated	Reactive	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H](O)OC1=O	ZINC000064560792	EG	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1/C=C/C1=C[C@@H](O)OC1=O	ZINC000064560794	EG	Annotated	Mild	
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H](O)OC1=O	ZINC000064560795	EG	Annotated	Mild	
COC(=O)[C@H](c1ccccc1Br)[C@@]1(C)CCCCN1	ZINC000064585980	EG	Annotated	Anodyne	
O=C(O)CCC1=C(c2ccccc2)NC(=S)N[C@H]1c1ccco1	ZINC000064623385	EG	Annotated	Anodyne	
Nc1nc(Cc2cccc(Br)c2)n(-c2ccccc2)n1	ZINC000064691663	EG	Annotated	Anodyne	
COc1ccc(C)cc1Nc1n[n+](C)c(-c2ccc(O)cc2O)s1	ZINC000064696323	EG	Annotated	Anodyne	
O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c(-c2ccc(Cl)cc2)n1	ZINC000064744442	EG	Annotated	Clean	
O=C(O)c1cc(NC/C=C/c2cccs2)ccc1N1CCOCC1	ZINC000064746678	EG	Annotated	Anodyne	
O=C(CCCS)N1CCN(Cc2cccc3ccccc23)CC1	ZINC000064746685	EG	Annotated	Mild	
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1cccnc1	ZINC000006507659	EG	Annotated	Anodyne	 
CC[C@@]12CCCN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@H]32	ZINC000006519421	EG	Annotated	Anodyne	
C[N+]1(CCc2ccc(NC(=O)CCCC(=O)O)cc2)CCCCC1	ZINC000006519735	EG	Annotated	Anodyne	in-vitro
CCn1c(O)c(C(=O)Nc2ccccc2F)c(=O)c2ccccc21	ZINC000006520101	EG	Annotated	Anodyne	
Cc1c(Sc2ccccc2)n(C/C=C/c2ccco2)c(=O)[nH]c1=O	ZINC000006520174	EG	Annotated	Anodyne	
Cc1[nH]c2[nH]c(=S)nc(NC(N)=S)c2c1Cc1ccccc1	ZINC000006520457	EG	Annotated	Anodyne	
Cc1c(N2CCCCC2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12	ZINC000006520765	EG	Annotated	Anodyne	
Cc1cc2c(cc1C)N(C)S(=O)(=O)C1=CC=CN(C(C)C)C1=N2	ZINC000006522175	EG	Annotated	Anodyne	
Cc1cc2c(cc1Cl)S[C@H](c1ccccc1O)NS2(=O)=O	ZINC000006522203	EG	Annotated	Clean	
Cc1cc2c(cc1Cl)S[C@@H](c1ccccc1O)NS2(=O)=O	ZINC000006522211	EG	Annotated	Clean	
Cc1ccc([C@H](O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000006522688	EG	Annotated	Anodyne	
Cc1ccc([C@H](O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1	ZINC000006522690	EG	Annotated	Anodyne	
Cc1ccc([C@@H](O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000006522729	EG	Annotated	Anodyne	
Cc1ccc([C@@H](O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1	ZINC000006522730	EG	Annotated	Anodyne	
Cc1ccc(-c2nc(Cc3n[nH]c(-c4ccc(C)cc4)n3)n[nH]2)cc1	ZINC000006522799	EG	Annotated	Anodyne	
Cc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=O)cc1	ZINC000006522809	EG	Annotated	Anodyne	
Cc1ccc2c(=O)c(-c3nnc(NC4CCCCC4)s3)c[nH]c2n1	ZINC000006522898	EG	Annotated	Anodyne	
Nc1cc(Cl)nc(SCc2cc3c(cc2Cl)OCO3)n1	ZINC000006524187	EG	Annotated	Anodyne	
Clc1ccc2c(N3CCCCC3)cc(N3CCOCC3)nc2n1	ZINC000006536558	EG	Annotated	Anodyne	 
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1sccc1C	ZINC000006542658	EG	Annotated	Anodyne	 
Cc1nc(N)sc1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000006545656	EG	Annotated	Clean	
CCOC(=O)/C(=N\Nc1ncnc2ccccc12)c1ccc(C)cc1	ZINC000006550417	EG	Annotated	Mild	 
C/C(=N\NC(=O)c1ccccc1)c1c(C)nn(-c2ccccc2)c1O	ZINC000006556341	EG	Annotated	Reactive	 
Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(C(=O)O)c(O)c1	ZINC000006556366	EG	Annotated	Clean	
Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccc(F)c(F)c1F	ZINC000006558552	EG	Annotated	Anodyne	 
Cn1cccc1[C@H]1CCCN1CC(=O)Nc1ccc(F)c(F)c1F	ZINC000006558555	EG	Annotated	Anodyne	 
CCOC(=O)c1c(C)oc2c1c(/C=N/CCO)c(O)c1ccccc12	ZINC000006566838	EG	Annotated	Mild	
O=C1Nc2ccc([N+](=O)[O-])cc2[C@@](C#CC2CC2)(C(F)(F)F)O1	ZINC000006567560	EG	Annotated	Mild	
O=C1Nc2ccc([N+](=O)[O-])cc2[C@](C#CC2CC2)(C(F)(F)F)O1	ZINC000006567561	EG	Annotated	Mild	
CCCSc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)OC)c1	ZINC000006569876	EG	Annotated	Bother	 
C[C@H](Sc1nc2ccccc2s1)C(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000006576749	EG	Annotated	Anodyne	 
C[C@H]1CN(C(=O)[C@H](C)Sc2nc3ccccc3s2)C[C@@H](C)O1	ZINC000006576750	EG	Annotated	Anodyne	 
O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2c(F)cccc2F)c1	ZINC000006581612	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2ccc(Cl)cc2)c1	ZINC000006581616	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2ccccc2Cl)c1	ZINC000006581621	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2c(F)cccc2F)c1	ZINC000006581630	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2ccc(Cl)cc2)c1	ZINC000006581634	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2ccccc2Cl)c1	ZINC000006581639	EG	Annotated	Anodyne	
N#C[C@@H](c1nc2ccccc2s1)c1ncnc(Cl)c1[N+](=O)[O-]	ZINC000006584382	EG	Annotated	Mild	
C=CCOC(=O)C1=C[C@@H](c2ccccc2)[C@H](CCCO)[C@@H](OCC)O1	ZINC000006595413	EG	Annotated	Mild	 
CCC(=O)c1ccc(O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1	ZINC000006638492	EG	Annotated	Mild	 
CCC(=O)c1ccc(O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1	ZINC000006638496	EG	Annotated	Mild	 
Cc1cc(C)c2c(c1)/C(=N/NS(=O)(=O)c1ccccc1)CCC2	ZINC000006638762	EG	Annotated	Mild	 
CS[P@@]1(=S)N=C(NCCC(C)C)C(C#N)=C2CCCN21	ZINC000006667808	EG	Annotated	Reactive	 
CS[P@]1(=S)N=C(NCCC(C)C)C(C#N)=C2CCCN21	ZINC000006667809	EG	Annotated	Reactive	 
CC[C@@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1	ZINC000006678274	EG	Annotated	Anodyne	 
CC[C@H](C)[C@@H](N)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1	ZINC000006707395	EG	Annotated	Anodyne	 
Cc1ccc(-n2nc(C)c(/C=N/n3c(C)nnc3S)c2Cl)cc1	ZINC000006713100	EG	Annotated	Mild	 
Fc1cc(Oc2cccnc2)cc(-n2nnc(-c3ccccn3)n2)c1	ZINC000006716623	EG	Annotated	Anodyne	
CCOC(=O)/C(O)=C/C(=O)/C=C/c1cccn1Cc1ccc(F)cc1	ZINC000006717800	EG	Annotated	Anodyne	 
CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccnc2)N1	ZINC000006721322	EG	Annotated	Reactive	 
CCN(CC)CCCN(C)C(=O)c1noc2c1COc1ccccc1-2	ZINC000006724449	EG	Annotated	Anodyne	 
O=C([C@H]1CCCN(c2cnnc3c(Cl)cccc23)C1)N1CCCC1	ZINC000006724956	EG	Annotated	Anodyne	 
O=C([C@@H]1CCCN(c2cnnc3c(Cl)cccc23)C1)N1CCCC1	ZINC000006724957	EG	Annotated	Anodyne	 
CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)C[S@](=O)C2	ZINC000006725006	EG	Annotated	Anodyne	 
O=c1oc2c(F)cc(F)cc2cc1S(=O)(=O)c1ccc(F)cc1	ZINC000006736740	EG	Annotated	Anodyne	 
CCCn1c(CCC(=O)N2CCc3ccccc3C2)nc2cccnc21	ZINC000006737622	EG	Annotated	Anodyne	
COCc1cc(C)nc2sc3c(c12)NCN(Cc1ccco1)C3=O	ZINC000006742890	EG	Annotated	Anodyne	 
Brc1ccc(Nc2c3c(nc4nncn24)CCC3)cc1	ZINC000006742959	EG	Annotated	Anodyne	
COc1ccccc1CNc1cc(-c2ccccc2)nc2nncn12	ZINC000006743020	EG	Annotated	Anodyne	 
CCn1cc(NC(=O)NCc2cccs2)c(=O)c2ccc(C)nc21	ZINC000006746981	EG	Annotated	Anodyne	 
CCn1cc(NC(=O)NCC2CCCCC2)c(=O)c2ccc(C)nc21	ZINC000006746986	EG	Annotated	Anodyne	 
Cc1c(C(=O)NCc2cccc(F)c2)oc2c1-c1[nH]ncc1CC2	ZINC000006748398	EG	Annotated	Anodyne	aggregator
O=C(Cn1ncc2ccccc21)Nc1cc(-c2cccc(F)c2)no1	ZINC000006750210	EG	Annotated	Anodyne	 
Cc1cccc2c1cnn2C(=O)CCC(=O)N1C[C@@H](C)C[C@H](C)C1	ZINC000006750238	EG	Annotated	Anodyne	 
Cc1cccc2c1cnn2C(=O)CCC(=O)N1C[C@H](C)C[C@@H](C)C1	ZINC000006750239	EG	Annotated	Anodyne	 
COC(=O)c1ccc(Cn2nc(-c3cc(C)ccc3C)ccc2=O)cc1	ZINC000006767150	EG	Annotated	Anodyne	 
O=C(Cn1ncc2c(Cl)cccc21)N1CCc2ccccc2C1	ZINC000006768232	EG	Annotated	Anodyne	 
O=C(CCC(=O)n1ncc2ccc(Cl)cc21)NCc1ccco1	ZINC000006768402	EG	Annotated	Anodyne	 
Cc1ccc2c(cnn2C(=O)CCC(=O)NCCc2ccccc2)c1	ZINC000006768419	EG	Annotated	Anodyne	 
Cc1nn(C(=O)CCC(=O)NCCc2ccccc2)c2ccccc12	ZINC000006768586	EG	Annotated	Anodyne	 
CC1=C(C(=O)NC[C@@H](C)c2ccccc2)C2(CCCCC2)OC1=O	ZINC000006772386	EG	Annotated	Anodyne	 
CC1=C(C(=O)NC[C@H](C)c2ccccc2)C2(CCCCC2)OC1=O	ZINC000006772387	EG	Annotated	Anodyne	 
CCCSCCCNC(=O)C1=C(C)C(=O)OC12CCCCC2	ZINC000006772442	EG	Annotated	Anodyne	 
CCN(C(=O)[C@H]1[C@@H]2C[C@@H]3OC(=O)[C@H]1[C@@H]3C2)c1c(C)cc(C)cc1C	ZINC000006780067	EG	Annotated	Anodyne	 
CCCN(C(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1OCC	ZINC000006780071	EG	Annotated	Anodyne	 
Cn1cc(/C(O)=N/c2ccccn2)c2c3ccccc3n(C)c2c1=O	ZINC000006785638	EG	Annotated	Mild	 
CCN(c1ccccc1)S(=O)(=O)c1cc2c(cc1C)N(C)CCO2	ZINC000006792224	EG	Annotated	Anodyne	 
CC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21	ZINC000006796957	EG	Annotated	Anodyne	 
CC[C@H](C)NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21	ZINC000006796965	EG	Annotated	Anodyne	 
Cc1ccc(C)c(NC(=O)CCC(=O)N2CCOc3ccccc32)c1	ZINC000006798428	EG	Annotated	Anodyne	 
C[C@@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C	ZINC000006798479	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C	ZINC000006798481	EG	Annotated	Anodyne	 
C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C	ZINC000006798483	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@@H](NC(=O)CCC(=O)N2CCOc3ccccc32)[C@@H]1C	ZINC000006798485	EG	Annotated	Anodyne	 
COc1ccc(C(=O)O)cc1Nc1nc2ccc(C)cc2n2cnnc12	ZINC000006802951	EG	Annotated	Anodyne	 
Cc1cc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)no1	ZINC000006807029	EG	Annotated	Anodyne	 
CCCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2	ZINC000006808387	EG	Annotated	Anodyne	
O=C(CN1C(=O)C(c2ccccc2)=NC12CCCC2)Nc1ccccc1	ZINC000006808629	EG	Annotated	Anodyne	 
Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCC(C)CC1	ZINC000006809111	EG	Annotated	Anodyne	 
CC[C@@H](C(=O)N1C[C@@H](C)C[C@@H](C)C1)n1c(C(=O)OC)cc2occc21	ZINC000006820699	EG	Annotated	Anodyne	 
CC[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)n1c(C(=O)OC)cc2occc21	ZINC000006820702	EG	Annotated	Anodyne	 
O=C1C[C@@H](c2nnc(Cc3ccc(F)cc3)o2)CN1c1ccccc1	ZINC000006823014	EG	Annotated	Anodyne	 
O=C1C[C@H](c2nnc(Cc3ccc(F)cc3)o2)CN1c1ccccc1	ZINC000006823015	EG	Annotated	Anodyne	 
Fc1ccc(CNc2nc3ccc(Cl)cc3n3nnnc23)cc1	ZINC000006823205	EG	Annotated	Anodyne	 
CCOc1ccccc1-c1nnc(CS(=O)(=O)c2ccccc2)o1	ZINC000006823549	EG	Annotated	Anodyne	 
C[C@@H](CNC(=O)c1nnc(Cc2cccc(F)c2)o1)c1ccccc1	ZINC000006839980	EG	Annotated	Anodyne	
C[C@H](CNC(=O)c1nnc(Cc2cccc(F)c2)o1)c1ccccc1	ZINC000006839984	EG	Annotated	Anodyne	
C[C@H]1CCC[C@@H](C)N1CCCNC(=O)NCc1noc2ccccc12	ZINC000006859966	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@H](C)N1CCCNC(=O)NCc1noc2ccccc12	ZINC000006859968	EG	Annotated	Anodyne	 
C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)NCc1noc2ccccc12	ZINC000006859969	EG	Annotated	Anodyne	 
Cc1ccc2onc(CNC(=O)NCCN(C)C3CCCCC3)c2c1	ZINC000006866246	EG	Annotated	Anodyne	 
Cc1ccnc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)c1	ZINC000006873898	EG	Annotated	Anodyne	 
Cc1ccnc(NC(=O)[C@H](CC(C)C)N2Cc3ccccc3C2=O)c1	ZINC000006873909	EG	Annotated	Anodyne	 
CN(C(=O)CSc1nncn2c1cc1occc12)c1ccccc1	ZINC000006893954	EG	Annotated	Anodyne	
Cc1oc2ncn3nc(CCn4c(C)nc5ccccc54)nc3c2c1C	ZINC000006902086	EG	Annotated	Anodyne	 
Cc1cc(=O)n(Cc2ccncc2)c2c1c(C)nn2-c1cccc(F)c1	ZINC000006915559	EG	Annotated	Anodyne	 
O=c1cc2nc(-c3ccccc3)nc(SCc3ccccc3)n2[nH]1	ZINC000006915674	EG	Annotated	Anodyne	 
COC(=O)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1	ZINC000006919211	EG	Annotated	Anodyne	 
COC(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1	ZINC000006919212	EG	Annotated	Anodyne	 
CSCCN1C(=O)CS[C@@H]1c1ccc(Br)s1	ZINC000006928659	EG	Annotated	Anodyne	
O=S(=O)(NCc1ccco1)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006929598	EG	Annotated	Anodyne	 
CN(Cc1ccco1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006930343	EG	Annotated	Anodyne	 
C[C@@H]1CCC[C@H](NC(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C	ZINC000006931834	EG	Annotated	Anodyne	 
C[C@@H]1CCC[C@@H](NC(=O)Nc2cn(C)c(=O)c3ccccc23)[C@@H]1C	ZINC000006931849	EG	Annotated	Anodyne	 
CC1=C(C(=O)N[C@@H](C)CCc2ccco2)C2(CCCCC2)OC1=O	ZINC000006933627	EG	Annotated	Anodyne	 
CC1=C(C(=O)N[C@H](C)CCc2ccco2)C2(CCCCC2)OC1=O	ZINC000006933629	EG	Annotated	Anodyne	 
O=S(=O)(NCCC1=CCCCC1)c1ccc(-n2cccn2)cc1	ZINC000006939261	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@H]2CCCC[C@@H]21	ZINC000006939490	EG	Annotated	Anodyne	 
O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCC[C@@H]2CCCC[C@@H]21	ZINC000006939494	EG	Annotated	Anodyne	 
CN(C)/N=C/c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1	ZINC000006996277	EG	Annotated	Mild	 
O=c1cc(-c2ccc3c(c2)CCO3)[nH]c2c(-c3ccccc3)cnn12	ZINC000653634446	EG	Annotated	Anodyne	
Cc1ccccc1-c1nnc2ccc(-c3ccc(C(N)=O)cc3)cn12	ZINC000653663469	EG	Annotated	Anodyne	
O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@H]1c1cc[nH]n1	ZINC000653663472	EG	Annotated	Anodyne	
O=C(c1ccc(O)cc1O)N1c2ccccc2CC[C@@H]1c1cc[nH]n1	ZINC000653663478	EG	Annotated	Anodyne	
CCc1noc2cc(-c3cc(=O)n4ncc(-c5ncco5)c4[nH]3)ccc12	ZINC000653664899	EG	Annotated	Anodyne	
Nc1nn2c(=O)cc(-c3ccc4occc4c3)[nH]c2c1-c1ccccn1	ZINC000653665238	EG	Annotated	Anodyne	
COc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)oc2c1	ZINC000653665411	EG	Annotated	Anodyne	
Nc1nn2c(=O)cc(-c3cc4ccccc4o3)[nH]c2c1-c1ccccn1	ZINC000653666163	EG	Annotated	Anodyne	
Nc1nc(N2CC[C@H]3CCCC[C@H]3C2)c2c(n1)[nH]c1ccc(O)cc12	ZINC000653668938	EG	Annotated	Anodyne	
Nc1nc(N2CC[C@@H]3CCCC[C@@H]3C2)c2c(n1)[nH]c1ccc(O)cc12	ZINC000653668939	EG	Annotated	Anodyne	
Nc1nc(N2CC[C@@H]3CCCC[C@H]3C2)c2c(n1)[nH]c1ccc(O)cc12	ZINC000653668940	EG	Annotated	Anodyne	
Nc1nc(N2CC[C@H]3CCCC[C@@H]3C2)c2c(n1)[nH]c1ccc(O)cc12	ZINC000653668941	EG	Annotated	Anodyne	
O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccccc3)cnn12	ZINC000653669537	EG	Annotated	Anodyne	
O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2c(Cc3ccccc3)cnn12	ZINC000653671941	EG	Annotated	Anodyne	
Nc1ncc(-c2cc(N3CCC3)nc(C3CCC3)n2)cc1OC(F)F	ZINC000653676827	EG	Annotated	Anodyne	
CC(=O)c1cccc(-c2cn3c(NC(=O)CC4CC4)cnc3cn2)c1	ZINC000653678255	EG	Annotated	Anodyne	
COc1nn2cc(-c3cc4c(OC)ccc(OC)c4o3)nc2s1	ZINC000653678268	EG	Annotated	Anodyne	
COCCOc1cccc2oc(-c3cn4nc(OC)sc4n3)cc12	ZINC000653682168	EG	Annotated	Anodyne	
O=c1cc(-c2cc3ccccc3o2)[nH]c2c(-c3ccccn3)cnn12	ZINC000653685695	EG	Annotated	Anodyne	
Cn1nccc1-c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O	ZINC000653685700	EG	Annotated	Anodyne	
Oc1nc(CSC(=S)NCc2ccco2)nc2ccccc12	ZINC000653688562	EG	Annotated	Clean	
CN(C)CCCO/N=C1\c2ccccc2-c2nc3ccccc3nc21	ZINC000653689072	EG	Annotated	Mild	
Oc1nc(CSC(=S)NCc2ccccn2)nc2ccccc12	ZINC000653691064	EG	Annotated	Clean	
Oc1nc(CSC(=S)NCc2cccnc2)nc2ccccc12	ZINC000653691098	EG	Annotated	Clean	
O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12Nc1ccccc1-n1cccc12	ZINC000653691204	EG	Annotated	Bother	
O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12Nc1ccccc1-n1cccc12	ZINC000653691205	EG	Annotated	Bother	
c1ccc(C[n+]2cn(Cn3nnc4ccccc43)c3ccccc32)cc1	ZINC000653693422	EG	Annotated	Anodyne	
Cc1cc(C)c(CNC(=O)c2cccc3c2ncn3C(C)C)c(O)n1	ZINC000653693896	EG	Annotated	Anodyne	
Cc1cc(C)c(CNC(=O)c2ccc3cnn(C(C)C)c3c2)c(O)n1	ZINC000653697078	EG	Annotated	Anodyne	
Cc1cc(C)c(CNC(=O)c2ccc3c(cnn3C(C)C)c2)c(O)n1	ZINC000653697112	EG	Annotated	Anodyne	
Oc1nc(CSC(=S)NCc2ccncc2)nc2ccccc12	ZINC000653697844	EG	Annotated	Clean	
CC1=C(Sc2ccccc2C(=O)O)SC2=NC(=O)CCCN21	ZINC000653698588	EG	Annotated	Anodyne	
CC(=O)c1cccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)c1	ZINC000653698600	EG	Annotated	Anodyne	
CC(=O)c1ccc(C2=CC3=CC(=O)O[C@@]34C[C@@H]2N2CCCC[C@@H]24)cc1	ZINC000653698601	EG	Annotated	Anodyne	
S=C(NCc1cccnc1)SCCc1nnc(-c2ccco2)o1	ZINC000653699189	EG	Annotated	Clean	
COc1ccn2c(C(C)=O)cc(-c3ccccc3S(C)(=O)=O)c2c1	ZINC000653699476	EG	Annotated	Anodyne	
Cn1nc(C(=O)NCCCCCCS)cc1-c1ccc(F)cc1	ZINC000653699930	EG	Annotated	Mild	
CC(=O)c1cc2c(s1)C(=O)c1c(Br)cccc1C2=O	ZINC000653700286	EG	Annotated	Clean	
OC1[C@H]2CC3C[C@H]1CC(NCc1cc(-c4cccs4)on1)(C3)C2	ZINC000653700546	EG	Annotated	Anodyne	
CNCCN1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](C(C)C)C1	ZINC000653700756	EG	Annotated	Anodyne	
S=C(NCc1cccnc1)SCCc1nc2ccccc2[nH]1	ZINC000653703946	EG	Annotated	Clean	
O=c1[nH]c(Oc2cnn(C3CCCCCC3)c2)nc2cnccc12	ZINC000653704234	EG	Annotated	Anodyne	
CCc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1	ZINC000653704594	EG	Annotated	Mild	
CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21	ZINC000653706044	EG	Annotated	Anodyne	
Nc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N/N=C/c1ccccc1	ZINC000653706807	EG	Annotated	Reactive	
COc1cc([N+](=O)[O-])c2[nH]c(-c3nc(C)c(C(=O)O)s3)cc2c1	ZINC000653707189	EG	Annotated	Bother	
CCCC(=O)c1cccc(N=C2NC(=N)NC3(CCCCC3)N2)c1	ZINC000653708022	EG	Annotated	Mild	
CC(C)Oc1ccc(-c2nnc(N3CCNCC3)s2)cc1Cl	ZINC000653708062	EG	Annotated	Anodyne	
CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3C=C[C@@H]12)C(=O)O[C@@H]4CO	ZINC000653708746	EG	Annotated	Clean	
Cc1ccc(-n2cc(Cn3cc(/C=N/O)c4cccnc43)nn2)cc1C	ZINC000653709118	EG	Annotated	Mild	
COc1cc(C(=O)c2c[nH]c3ccccc23)c(N)c(OC)c1OC	ZINC000653711353	EG	Annotated	Anodyne	
CCOP(=O)(CCSC(=S)NCc1cccnc1)OCC	ZINC000653711367	EG	Annotated	Clean	
CC1(C)OCc2c(Oc3n[nH]c4ccccc34)nc(-c3cn[nH]c3)nc21	ZINC000653713043	EG	Annotated	Anodyne	
CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cc[nH]n3)nc21	ZINC000653713053	EG	Annotated	Anodyne	
CC(=O)SCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1	ZINC000653714160	EG	Annotated	Anodyne	
COc1cc(C(=O)c2c[nH]c3cc(F)ccc23)c(N)c(OC)c1OC	ZINC000653715444	EG	Annotated	Anodyne	
COc1cc(C(=O)c2c[nH]c3ccc(C)cc23)c(N)c(OC)c1OC	ZINC000653715480	EG	Annotated	Anodyne	
COc1ccccc1NCc1nc2c(o1)-c1ccccc1C(=O)C2=O	ZINC000653715972	EG	Annotated	Clean	
COc1ccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)cc1	ZINC000653715975	EG	Annotated	Clean	
COc1cccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)c1	ZINC000653716021	EG	Annotated	Clean	
O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccncc1	ZINC000653716264	EG	Annotated	Bother	
O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1cccnc1	ZINC000653716277	EG	Annotated	Bother	
O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccccn1	ZINC000653716301	EG	Annotated	Bother	
CC(C)(C)NS(=O)(=O)c1ccc(NC2CCCCC2)c(N)c1	ZINC000653717516	EG	Annotated	Anodyne	
Cc1cc(=O)n2c(c1C1CC1)SC[C@@H]2C(=O)Nc1ccccc1	ZINC000653718370	EG	Annotated	Anodyne	
CC1(C)NC(=N)NC(=N)N1c1cccc(/C=C/C(=O)c2ccccc2)c1	ZINC000653719519	EG	Annotated	Mild	
CC1(C)NC(=N)NC(=N)N1c1cccc(C(=O)/C=C/c2ccccc2)c1	ZINC000653721402	EG	Annotated	Mild	
CCNS(=O)(=O)c1ccc(NC2CC2)c(NCc2ccccc2)c1	ZINC000653721749	EG	Annotated	Anodyne	
CCN(CCc1ccc(O)c(OC)c1)Cc1cccc(O)c1OC	ZINC000653724733	EG	Annotated	Anodyne	
Nc1nc(NC2C3CC4CC(C3)CC2C4)c2nn3ccccc3c2n1	ZINC000653725565	EG	Annotated	Anodyne	 
O=C1Nc2ccc(NS(=O)(=O)C3CCCCC3)cc2C12CCC2	ZINC000653726192	EG	Annotated	Anodyne	
CSN1C(=O)C[C@H]1N(OCc1ccccc1)C(=O)c1ccccc1	ZINC000653726558	EG	Annotated	Anodyne	
CSN1C(=O)C[C@@H]1N(OCc1ccccc1)C(=O)c1ccccc1	ZINC000653726564	EG	Annotated	Anodyne	
Cc1sc(C(=O)Nc2cnn(C)c2)cc1[C@@H]1C[C@H]1NC1CCC1	ZINC000653732489	EG	Annotated	Anodyne	
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)c(C)s2)s1	ZINC000653732509	EG	Annotated	Anodyne	
O=C(COc1nc2sccc2c(=O)n1C1CC1)c1ccccc1	ZINC000653740698	EG	Annotated	Anodyne	
O=C(CNc1nc2sccc2c(=O)n1C1CC1)c1ccccc1	ZINC000653740732	EG	Annotated	Anodyne	
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NC3CCC3)cs2)s1	ZINC000653743719	EG	Annotated	Anodyne	
Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3NCC3CC3)cs2)s1	ZINC000653743793	EG	Annotated	Anodyne	
CC(=O)c1cccc(-c2cnc3ccc(-c4ccc(N)nc4)nn23)c1	ZINC000653748692	EG	Annotated	Anodyne	
Cc1ccc(-c2noc([C@@H]3CCc4c(nnn4C(C)(C)C)C3)n2)cn1	ZINC000653751493	EG	Annotated	Anodyne	
Cc1ccc(-c2noc([C@H]3CCc4c(nnn4C(C)(C)C)C3)n2)cn1	ZINC000653751494	EG	Annotated	Anodyne	
CC(C)(C)n1nnc2c1CC[C@H](c1nc(-c3ccc(C#N)cc3)no1)C2	ZINC000653757367	EG	Annotated	Mild	
CC(C)(C)n1nnc2c1CC[C@@H](c1nc(-c3ccc(C#N)cc3)no1)C2	ZINC000653757370	EG	Annotated	Mild	
CC(C)(C)n1nnc2c1CC[C@@H](c1noc(-c3ccc(F)cc3)n1)C2	ZINC000653757371	EG	Annotated	Anodyne	
CC(C)(C)n1nnc2c1CC[C@H](c1noc(-c3ccc(F)cc3)n1)C2	ZINC000653757373	EG	Annotated	Anodyne	
CC(C)(C)n1nnc2c1CC[C@H](n1cnc(-c3ccc(F)cc3)n1)C2	ZINC000653761891	EG	Annotated	Anodyne	
CC(C)(C)n1nnc2c1CC[C@@H](n1cnc(-c3ccc(F)cc3)n1)C2	ZINC000653761892	EG	Annotated	Anodyne	
C=CC(=O)n1cc(NC(=O)NCC)c2ncc(-c3cccnc3)cc21	ZINC000653761925	EG	Annotated	Anodyne	
COCOc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1	ZINC000653764982	EG	Annotated	Anodyne	
Cc1cc(Cl)ccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1	ZINC000653766399	EG	Annotated	Anodyne	
COCOc1cccc2oc(-c3cn4nc(SC)sc4n3)nc12	ZINC000653767433	EG	Annotated	Anodyne	
COc1ccc2c(=O)n(Cc3ccc(OC)c(OC)c3)ccc2c1	ZINC000653771346	EG	Annotated	Anodyne	
COc1cc(OC)c2cc(-c3cn4nc(OC)sc4n3)oc2c1	ZINC000653775788	EG	Annotated	Anodyne	
CC(C)(C)n1nnc2c1CC[C@@H](c1nnc(-c3ccc(F)cc3)o1)C2	ZINC000653779517	EG	Annotated	Anodyne	
CC(C)(C)n1nnc2c1CC[C@H](c1nnc(-c3ccc(F)cc3)o1)C2	ZINC000653779518	EG	Annotated	Anodyne	
O=C1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]([C@H]2CCC(=O)O2)C1	ZINC000653780772	EG	Annotated	Mild	
CC(=O)Nc1ccccc1OCc1cc(C)nc(-c2ccccn2)n1	ZINC000653783787	EG	Annotated	Anodyne	
COC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2	ZINC000653785003	EG	Annotated	Anodyne	
c1cnc2[nH]c(-c3cnnn3CCCc3c[nH]c4ncccc34)cc2c1	ZINC000653785033	EG	Annotated	Anodyne	
O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(CN3CCOCC3)sc12	ZINC000653786082	EG	Annotated	Bother	
Cc1c(C(F)(F)F)cc2nc(C3=NCCO3)sc2c1[N+](=O)[O-]	ZINC000653786093	EG	Annotated	Bother	
C[C@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653787403	EG	Annotated	Mild	
C[C@@H]1CCC/C1=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653787406	EG	Annotated	Mild	
C=C1C(=O)C[C@]2(C[C@@H]1OC(C)=O)[C@@H](C(=O)OCC)CC[C@H]2C(C)C	ZINC000653788026	EG	Annotated	Mild	
CCC(CC)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653790073	EG	Annotated	Mild	
C=CCC/C(C)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653790958	EG	Annotated	Mild	
O=C1c2ccsc2C(=O)c2c(I)cccc21	ZINC000653790966	EG	Annotated	Clean	
CC1(C)CCC[C@]2(C)c3c(O)c(O)c4c(c3CC[C@@H]12)C(=O)O[C@H]4CO	ZINC000653791331	EG	Annotated	Clean	
O=C(CBr)c1ccc(C2C(=O)c3ccccc3C2=O)cc1	ZINC000653791388	EG	Annotated	Reactive	
COc1ccc(NC(=O)C(=O)c2cc(C(C)C)n3ccccc23)cn1	ZINC000653791945	EG	Annotated	Anodyne	
CCC/C(C)=N/N=C1\SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653793156	EG	Annotated	Mild	
C/C(CC(C)C)=N\N=C1/SCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653793272	EG	Annotated	Mild	
COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)cn1	ZINC000653793664	EG	Annotated	Anodyne	
COc1ccc(/C(COc2cc3ccccc3oc2=O)=N/O)cc1	ZINC000653793848	EG	Annotated	Mild	
Nc1nc(C(=O)NCc2cccc3ccccc23)c2cccc(F)c2n1	ZINC000653793925	EG	Annotated	Anodyne	
CNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2	ZINC000653794377	EG	Annotated	Anodyne	
CCNC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2	ZINC000653794450	EG	Annotated	Anodyne	
COc1cc2c(cc1C(=O)N(C)C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C	ZINC000653794455	EG	Annotated	Anodyne	
CCOC(=O)C/N=C1/N[C@H](c2ccccc2)N(c2ccccc2)S1	ZINC000653794507	EG	Annotated	Mild	
CCOC(=O)C/N=C1/N[C@@H](c2ccccc2)N(c2ccccc2)S1	ZINC000653794508	EG	Annotated	Mild	
CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@H]12	ZINC000653795742	EG	Annotated	Anodyne	
CN1c2ccccc2[C@@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@@H]12	ZINC000653795747	EG	Annotated	Anodyne	
CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@@H]12	ZINC000653795748	EG	Annotated	Anodyne	
CN1c2ccccc2[C@]2(C)CCN(C(=O)Cn3cnc4ccccc43)[C@H]12	ZINC000653795749	EG	Annotated	Anodyne	
O=C(NCCSCc1ccccc1)n1c(=O)oc2ccccc21	ZINC000653796389	EG	Annotated	Anodyne	
CC(=O)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)cc1	ZINC000653796393	EG	Annotated	Bother	
O=C1CS/C(=N\N=C2CCCCC2)N1Cc1ccc([N+](=O)[O-])cc1	ZINC000653796404	EG	Annotated	Mild	
C[C@@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000653796410	EG	Annotated	Mild	
C[C@H]1CC/C(=N\N=C2/SCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000653796411	EG	Annotated	Mild	
c1cnc2[nH]cc(CCCn3nncc3-c3c[nH]c4ncccc34)c2c1	ZINC000653799456	EG	Annotated	Anodyne	
COc1cc(NC(=O)C(=O)c2cn(C(C)C)c3ccccc23)ccn1	ZINC000653799638	EG	Annotated	Anodyne	
O=C(NCCCCc1ccc(F)cc1)n1c(=O)oc2ccccc21	ZINC000653802199	EG	Annotated	Anodyne	
Nc1n[nH]c2c(-c3ccccn3)cn(-c3ccccc3Cl)c(=O)c12	ZINC000653802219	EG	Annotated	Anodyne	
O=C1CN(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1	ZINC000653802221	EG	Annotated	Anodyne	
CC(C)c1nc(C(=O)NC2CCN(C(C)C)CC2)c2ccccn12	ZINC000653803683	EG	Annotated	Anodyne	
CC1=C2C(=O)C3=C([C@@H](O)[C@H]2OC1=O)[C@]1(C)CCCC(C)(C)[C@H]1CC3	ZINC000653803734	EG	Annotated	Mild	
CC(=O)c1cc(-c2cccc(C)n2)c2cc(N3CCOCC3)ccn12	ZINC000653805000	EG	Annotated	Anodyne	
O=C(OC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@H]2CCCO2)on1	ZINC000653805820	EG	Annotated	Anodyne	
O=C(OC12CC3CC(CC(C3)C1)C2)c1cc(N(O)[C@@H]2CCCO2)on1	ZINC000653805824	EG	Annotated	Anodyne	
CC(=O)c1cc(-c2ncccc2F)c2cc(N3CCOCC3)ccn12	ZINC000653808131	EG	Annotated	Anodyne	
c1cnc2[nH]c(-c3cn(CCCc4c[nH]c5ncccc45)nn3)cc2c1	ZINC000653810083	EG	Annotated	Anodyne	
CNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1	ZINC000653817176	EG	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)n(C)c(=O)c12	ZINC000653819603	EG	Annotated	Anodyne	
COc1cccc(CNc2ncnc3ncc(-c4cnn(C)c4)cc23)c1	ZINC000653819825	EG	Annotated	Anodyne	
C1CCC(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)CC1	ZINC000653819840	EG	Annotated	Anodyne	
Cc1ccc(OC2CCN(c3nc(C)nn4ccc(C)c34)CC2)cn1	ZINC000653821097	EG	Annotated	Anodyne	
Cc1ccccc1NC(=O)CSc1nc(-c2ccc(O)cc2)n[nH]1	ZINC000653821174	EG	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2nc(CNc3ccccc3)nc(O)c12	ZINC000653821642	EG	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2nc(CNc3ccc(O)cc3)nc(O)c12	ZINC000653821696	EG	Annotated	Anodyne	
O[C@H]1C[C@](c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1	ZINC000653822678	EG	Annotated	Anodyne	
O[C@@H]1C[C@](c2cccc(OC(F)(F)F)c2)([C@H](O)c2ccccn2)C1	ZINC000653822679	EG	Annotated	Anodyne	
Cc1c(C(=O)CSc2ccc(F)cc2)[n+](=O)c2ccccc2n1O	ZINC000653822857	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)CC[C@H]1N=C2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)OC1=O	ZINC000653825250	EG	Annotated	Anodyne	
C[C@]1(O)C[C@](c2cc(C(F)(F)F)ccn2)([C@@H](O)c2ccccn2)C1	ZINC000653825398	EG	Annotated	Anodyne	
Cc1ccc(SCC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1	ZINC000653826073	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(Nc2nc3c(N4CCCC4)ncnc3s2)cc1	ZINC000653829300	EG	Annotated	Bother	
Cc1c(C(=O)CSc2ccccc2)[n+](=O)c2ccccc2n1O	ZINC000653829330	EG	Annotated	Anodyne	
CC(C)(C)OC(=O)CC[C@@H]1N=C2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)OC1=O	ZINC000653831319	EG	Annotated	Anodyne	
C[C@]1(O)C[C@](c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1	ZINC000653834542	EG	Annotated	Anodyne	
C[C@]1(O)C[C@@](c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1	ZINC000653834543	EG	Annotated	Anodyne	
C[C@]1(O)C[C@@](c2ccnc(C(F)(F)F)c2)([C@H](O)c2ccccn2)C1	ZINC000653834552	EG	Annotated	Anodyne	
CCCn1c(=O)ccc2c(-c3ncc(-c4cccnc4)s3)[nH]nc21	ZINC000653837593	EG	Annotated	Anodyne	
CN(Cc1ccc(CN(C)Cc2ccccn2)nc1)Cc1ccccn1	ZINC000653837822	EG	Annotated	Anodyne	
CN(Cc1ccncc1)Cc1ccc(CN(C)Cc2ccncc2)nc1	ZINC000653837908	EG	Annotated	Anodyne	
CCn1c(=O)c(C)cc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21	ZINC000653840653	EG	Annotated	Clean	
Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3O)N(C)C2=S)cc1	ZINC000653840662	EG	Annotated	Clean	
C=CCn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21	ZINC000653840672	EG	Annotated	Mild	
CCN(Cc1cc(=O)n2c(C#N)c(C)sc2n1)c1ccc(F)cc1	ZINC000653844222	EG	Annotated	Mild	
C[C@@H]1CC[C@]2(C)[C@@]3(CCC(=O)[C@]2(C)O)c2c(O)ccc(O)c2C[C@@]13C	ZINC000653845373	EG	Annotated	Anodyne	
C[C@@H]1CC[C@]2(C)[C@@]3(CC[C@H](O)[C@]2(C)O)c2c(O)ccc(O)c2C[C@@]13C	ZINC000653845402	EG	Annotated	Anodyne	
CC(C)[C@]12O[C@H]1C[C@H]1C(=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]13C)[C@H]2O	ZINC000653845474	EG	Annotated	Anodyne	
COc1ccccc1Cn1cc2nc(-c3ccc(C)o3)nc(N)c2n1	ZINC000653846520	EG	Annotated	Anodyne	
COc1c(Nc2cc(OC(C)C)c(Cl)cc2Cl)c(=O)c1=O	ZINC000653853356	EG	Annotated	Anodyne	
CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4CC4)s3)cc21	ZINC000653856846	EG	Annotated	Anodyne	
CC(C)N(CCCOc1ccc(=O)n(-c2ccccc2)n1)C(C)C	ZINC000653856997	EG	Annotated	Anodyne	
CCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1	ZINC000653857483	EG	Annotated	Mild	
CCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccn1	ZINC000653857484	EG	Annotated	Mild	
C/C(=N/N=C1\SCC(=O)N1Cc1ccc(N)cc1)c1cccs1	ZINC000653857487	EG	Annotated	Mild	
CCOc1ccccc1OCCn1c[n+](CCOC)c2ccccc21	ZINC000653861124	EG	Annotated	Anodyne	
Cc1ccc(C#CC2=C[C@@H]3C[C@@]4(OC(=O)C=C24)[C@H]2CCCCN32)cc1	ZINC000653861803	EG	Annotated	Mild	
COc1cccc([C@]2(OC(C)C)SC=C(C)n3c2noc3=O)c1	ZINC000653863945	EG	Annotated	Anodyne	
COc1cccc([C@@]2(OC(C)C)SC=C(C)n3c2noc3=O)c1	ZINC000653863946	EG	Annotated	Anodyne	
CC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(N)=O	ZINC000653871738	EG	Annotated	Anodyne	
CNc1nc(C)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1	ZINC000653873002	EG	Annotated	Reactive	
CNc1nc(C)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1	ZINC000653873029	EG	Annotated	Reactive	
O=C(N/N=C/c1cccc(Cl)c1)c1c[nH]c2c(F)cccc2c1=O	ZINC000653875560	EG	Annotated	Reactive	
C/C(=N\N=C1/SCC(=O)N1Cc1ccccc1F)c1ccccn1	ZINC000653878762	EG	Annotated	Mild	
COC(=O)[C@]12C[C@@H](O)[C@@]3(C)CC=C(CO)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C	ZINC000653884740	EG	Annotated	Anodyne	
CC1=CS[C@@](OCC(F)(F)F)(c2ccccc2)c2noc(=O)n21	ZINC000653886990	EG	Annotated	Anodyne	
CC1=CS[C@](OCC(F)(F)F)(c2ccccc2)c2noc(=O)n21	ZINC000653886992	EG	Annotated	Anodyne	
CNc1cccc(CNc2cccc(CCNc3ccccn3)n2)n1	ZINC000653887508	EG	Annotated	Anodyne	
C/C(=N/N=C1\SCC(=O)N1Cc1ccc(F)cc1)c1ccccn1	ZINC000653887969	EG	Annotated	Mild	
CCO[C@@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O	ZINC000653888029	EG	Annotated	Anodyne	
CCO[C@]1(c2ccccc2)Sc2ccccc2-n2c1noc2=O	ZINC000653888030	EG	Annotated	Anodyne	
O=C(CC1C2CC3CC(C2)CC1C3)N/N=C/c1ccc([N+](=O)[O-])o1	ZINC000653889498	EG	Annotated	Reactive	
O=C(CCC1C2CC3CC(C2)CC1C3)N/N=C/c1ccc([N+](=O)[O-])o1	ZINC000653889508	EG	Annotated	Reactive	
CC(=O)Oc1ccc2cc(-c3ccsc3)c(=O)oc2c1OC(C)=O	ZINC000653894999	EG	Annotated	Anodyne	
CC(=O)Oc1ccc2cc(-c3cccs3)c(=O)oc2c1OC(C)=O	ZINC000653895025	EG	Annotated	Anodyne	
CN1CCC(/C=C2\CCn3c2nc(=O)c2c(Cl)cccc23)CC1	ZINC000653897477	EG	Annotated	Anodyne	
CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(C(=O)O)cc1	ZINC000653899396	EG	Annotated	Mild	
C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)c(C#N)nn4C)c2N1	ZINC000653900914	EG	Annotated	Mild	
CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)c(O)c1	ZINC000653901707	EG	Annotated	Mild	
CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1cc(O)cc(O)c1	ZINC000653901784	EG	Annotated	Mild	
CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)cc1O	ZINC000653901797	EG	Annotated	Mild	
COc1ccc([C@]2(OC(C)C)SC=C(C)n3c2noc3=O)cc1	ZINC000653905233	EG	Annotated	Anodyne	
COc1ccc([C@@]2(OC(C)C)SC=C(C)n3c2noc3=O)cc1	ZINC000653905235	EG	Annotated	Anodyne	
CCOP(=O)(OCC)C(C)(C)/[N+]([O-])=C/c1ccc(O)c(OC)c1	ZINC000653907631	EG	Annotated	Mild	
CNc1cccc(CCNc2cccc(CNc3ccccn3)n2)n1	ZINC000653913896	EG	Annotated	Anodyne	
N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cc[nH]n2)cc1	ZINC000653914386	EG	Annotated	Mild	
O=C(N/N=C/c1ccc(Cl)cc1)c1c[nH]c2c(F)cccc2c1=O	ZINC000653914423	EG	Annotated	Reactive	
C/C(=N\N=C1/SCC(=O)N1Cc1cccc(F)c1)c1ccccn1	ZINC000653915939	EG	Annotated	Mild	
O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3ccco3)c2)s1	ZINC000653916385	EG	Annotated	Anodyne	
COc1ccc2c(Cc3cc(OC)c(OC)c(OC)c3N)c[nH]c2c1	ZINC000653918456	EG	Annotated	Anodyne	
COc1cc(Cc2c[nH]c3cccc(OC)c23)c(N)c(OC)c1OC	ZINC000653918469	EG	Annotated	Anodyne	
O=C1/C(=C/c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)n2cccc21	ZINC000653918533	EG	Annotated	Mild	
O=C1/C(=C/c2ccc(O)c(O)c2)[C@H](c2ccc(O)c(O)c2)n2cccc21	ZINC000653918534	EG	Annotated	Mild	
Nc1nc(Nc2ccccc2)[nH]c2nc(=O)c(-c3ccccc3)cc1-2	ZINC000653918580	EG	Annotated	Anodyne	
COc1ccc([C@@H]2C[C@H](NC(C)=O)C[C@H](Cc3ccccc3)O2)cn1	ZINC000065508966	EG	Annotated	Anodyne	 
N#CC(/C(O)=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=[N+](/[O-])O	ZINC000066065880	EG	Annotated	Mild	
CC1=C(OC2(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O	ZINC000066065908	EG	Annotated	Mild	
CCCNCCCNC(=S)Nc1cc(OC)c(Cl)cc1OC	ZINC000066066234	EG	Annotated	Anodyne	
O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnn2)cc1	ZINC000066066540	EG	Annotated	Bother	
Cn1c(N2CCC[C@H](c3ccccc3)C2)cc(-c2ccncn2)cc1=O	ZINC000066066671	EG	Annotated	Anodyne	
Cn1c(N2CCC[C@@H](c3ccccc3)C2)cc(-c2ccncn2)cc1=O	ZINC000066066672	EG	Annotated	Anodyne	
O=C1c2ccc(C#Cc3cccc(F)c3)nc2CCN1CC1CCC1	ZINC000066074104	EG	Annotated	Mild	
CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCC2	ZINC000066074442	EG	Annotated	Anodyne	
O=C1Nc2ccccc2C(c2ccccn2)=N[C@H]1Cc1ccccc1	ZINC000066074772	EG	Annotated	Anodyne	
O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(F)cc2)c1Cl	ZINC000066075110	EG	Annotated	Anodyne	
COC(=O)c1sc2cc(C#Cc3ccc(F)cc3)cnc2c1N	ZINC000066077100	EG	Annotated	Mild	
CC(=O)CSc1nc(-n2nc(C)cc2C)c2c(c1C#N)CCCC2	ZINC000066077893	EG	Annotated	Mild	
O=C1c2ccccc2[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1O	ZINC000066078271	EG	Annotated	Anodyne	
O=C1c2ccccc2[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N1O	ZINC000066078272	EG	Annotated	Anodyne	
CCN(CC)CC(CN(CC)CC)NCc1ccc(Cl)cc1	ZINC000066078338	EG	Annotated	Anodyne	
Cc1ccc2cc(-c3[nH]nc4ccc(NS(C)(=O)=O)cc34)[nH]c2c1	ZINC000066078632	EG	Annotated	Anodyne	
CCN1CCN(c2nc3c(c4ccccc24)[C@@H](O)c2ccccc2-3)CC1	ZINC000066078865	EG	Annotated	Anodyne	
CCN1CCN(c2nc3c(c4ccccc24)[C@H](O)c2ccccc2-3)CC1	ZINC000066078868	EG	Annotated	Anodyne	
COC(=O)c1sc2cc(C#Cc3cccc(OC)c3)cnc2c1N	ZINC000066079652	EG	Annotated	Mild	
COC(=O)c1sc2cc(C#Cc3ccc(OC)cc3)cnc2c1N	ZINC000066079654	EG	Annotated	Mild	
CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(NC(=N)N)ccc2NC1=O	ZINC000066079934	EG	Annotated	Anodyne	
O=C(NCCCO)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl	ZINC000066098384	EG	Annotated	Anodyne	
COc1cc(CCCO)cc2c(N)c(-c3ccc4c(c3)OCO4)oc12	ZINC000066098506	EG	Annotated	Anodyne	
N#Cc1c2c(c3nncn3c1SCC(=O)c1ccccc1)CCCC2	ZINC000066099099	EG	Annotated	Mild	
CNC(=O)c1cccc(Nc2nc(C(=O)O)cc3sccc23)c1	ZINC000066099349	EG	Annotated	Anodyne	
COC(=O)c1sc2cc(C#Cc3ccccc3OC)cnc2c1N	ZINC000066100891	EG	Annotated	Mild	
CCCOCCNC(=S)Nc1cc(OC)c(Cl)cc1OC	ZINC000066102213	EG	Annotated	Anodyne	
COC(=O)c1sc2cc(C#Cc3ccccc3F)cnc2c1N	ZINC000066102539	EG	Annotated	Mild	
C=CCn1c(=O)c(N/N=C/c2ccccc2OC)nc2ccccc21	ZINC000066103073	EG	Annotated	Mild	
C=C1C(=O)[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(O)C3	ZINC000066111580	EG	Annotated	Mild	 
COc1nc([N+](=O)[O-])cn1C[C@H](O)c1ccc(-c2ccccc2)cc1	ZINC000066111678	EG	Annotated	Bother	
COc1nc([N+](=O)[O-])cn1C[C@@H](O)c1ccc(-c2ccccc2)cc1	ZINC000066111679	EG	Annotated	Bother	
N[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccc(F)nc2)CC1	ZINC000066112401	EG	Annotated	Anodyne	
CC(C)OCCNc1nc2cc(C(=O)O)ccc2c2cnccc12	ZINC000066112499	EG	Annotated	Bother	
N#Cc1c(S)nc(N2N=C(c3ccccc3)CC2=O)c2c1CCCC2	ZINC000066112642	EG	Annotated	Mild	
O=[N+]([O-])c1ccc(-c2cn3cccnc3[n+]2Cc2ccccc2)cc1	ZINC000066113443	EG	Annotated	Bother	
CC1=C2[C@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@]2(C)C=CC1=O	ZINC000066123366	EG	Annotated	Mild	 
O=C(O)c1cnn(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1	ZINC000066128583	EG	Annotated	Anodyne	
CC(C)CCc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1	ZINC000066128795	EG	Annotated	Anodyne	
C#CCN1C(=O)[C@@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21	ZINC000066129669	EG	Annotated	Mild	
C#CCN1C(=O)[C@]2(CC(C)=C[C@H](C)O2)c2c(Br)cccc21	ZINC000066129671	EG	Annotated	Mild	
O=c1c(Br)csn1-c1ccc(Br)cc1	ZINC000066136329	EG	Annotated	Anodyne	
CC(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1	ZINC000066136635	EG	Annotated	Anodyne	
COC[C@H](O)[C@@H]1OCc2cc(OC)ccc2[C@H]1/C=C/c1ccccc1	ZINC000066148225	EG	Annotated	Anodyne	 
C#CCN1C(=O)[C@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21	ZINC000066148528	EG	Annotated	Mild	
C#CCN1C(=O)[C@@]2(OCCC=C[C@H]2C)c2c(Br)cccc21	ZINC000066148530	EG	Annotated	Mild	
C#CCN1C(=O)[C@@]2(OCCC=C[C@@H]2C)c2c(Br)cccc21	ZINC000066148535	EG	Annotated	Mild	
CC(C)(C)Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1	ZINC000066148857	EG	Annotated	Anodyne	
N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)s3)s2)cn1	ZINC000066166510	EG	Annotated	Anodyne	
N#Cc1c(SCC(=O)c2ccccc2)nc(NN)c2c1CCCC2	ZINC000066166837	EG	Annotated	Mild	
COc1cc(Br)c(/C=[N+](\[O-])Cc2ccccc2)cc1O	ZINC000066251237	EG	Annotated	Mild	
COc1cc(/C=[N+](\[O-])Cc2ccccc2)c(Br)cc1O	ZINC000066251239	EG	Annotated	Mild	
CC(=O)N(c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1	ZINC000066251278	EG	Annotated	Bother	
OCc1c(CO)c(-c2ccc(F)c(F)c2)n2c1Cc1ccccc1C2	ZINC000066251372	EG	Annotated	Anodyne	
C/C(=N\NC(=O)COc1cccc2cccnc12)c1cccs1	ZINC000066251706	EG	Annotated	Reactive	
OCc1cc(-c2ccc(Cl)cc2)nn1C[C@@H](O)c1ccccc1	ZINC000066258487	EG	Annotated	Anodyne	
OCc1cc(-c2ccc(Cl)cc2)nn1C[C@H](O)c1ccccc1	ZINC000066258488	EG	Annotated	Anodyne	
COc1cc(N2C(=O)C[C@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000066258745	EG	Annotated	Anodyne	
COc1cc(N2C(=O)C[C@@H]2c2ccc(F)cc2)cc(OC)c1OC	ZINC000066258746	EG	Annotated	Anodyne	
C=CCCC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C	ZINC000066259111	EG	Annotated	Mild	
CO[C@@H]1CC=C2NN(c3cc(Cl)cc(Cl)c3)C(=O)C[C@]2(C)O1	ZINC000066259158	EG	Annotated	Anodyne	
Oc1ccc2c3c(c4cc5c(cc4c2c1)OCO5)CN1CCC[C@H]1[C@H]3O	ZINC000066259296	EG	Annotated	Bother	
COC(=O)c1sc2cc(-c3cc(OC)cc(OC)c3)cnc2c1N	ZINC000066259315	EG	Annotated	Anodyne	
COc1ccc(-c2c(CO)c(CO)c3n2Cc2ccccc2C3)cc1	ZINC000066260033	EG	Annotated	Anodyne	
OCc1cc(-c2ccccc2)nn1C[C@H](O)c1ccc(Cl)cc1	ZINC000066260133	EG	Annotated	Anodyne	
OCc1cc(-c2ccccc2)nn1C[C@@H](O)c1ccc(Cl)cc1	ZINC000066260134	EG	Annotated	Anodyne	
COc1cc(OC)c(CCCc2ccc(OC)c(O)c2O)cc1O	ZINC000066260187	EG	Annotated	Clean	
CCOc1nc(N)nc2ncc(-c3ccc(C(F)(F)F)cc3)nc12	ZINC000066262049	EG	Annotated	Anodyne	
Cl/C(=C\c1ccccc1)CN[C@@H]1CCCN(c2ncccn2)C1	ZINC000067514581	EG	Annotated	Anodyne	 
Cl/C(=C\c1ccccc1)CN[C@H]1CCCN(c2ncccn2)C1	ZINC000067514582	EG	Annotated	Anodyne	 
CCOc1ccc(CN2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1	ZINC000067561240	EG	Annotated	Anodyne	 
O=c1[nH]c2ccccc2cc1CN(Cc1ccccn1)C[C@@H]1CCCO1	ZINC000067675023	EG	Annotated	Anodyne	 
O=c1[nH]c2ccccc2cc1CN(Cc1ccccn1)C[C@H]1CCCO1	ZINC000067675024	EG	Annotated	Anodyne	 
CCCn1ccnc1CN1CCc2[nH]cnc2[C@@H]1Cc1ccccc1	ZINC000067770322	EG	Annotated	Anodyne	 
CCCn1ccnc1CN1CCc2[nH]cnc2[C@H]1Cc1ccccc1	ZINC000067770324	EG	Annotated	Anodyne	 
C=C1C[C@]2(C(=O)O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12	ZINC000067913026	EG	Annotated	Reactive	
CNC(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1	ZINC000068120392	EG	Annotated	Mild	 
COc1cccc([C@@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1	ZINC000068152225	EG	Annotated	Mild	
COc1cccc([C@H]2NC(=S)N(C)C3=C2C(=O)c2ccccc23)c1	ZINC000068152229	EG	Annotated	Mild	
CC(C)[C@@H]1c2[nH]cnc2CCN1C(=O)OCCOc1ccccc1	ZINC000068199832	EG	Annotated	Anodyne	
CC(C)[C@H]1c2[nH]cnc2CCN1C(=O)OCCOc1ccccc1	ZINC000068199833	EG	Annotated	Anodyne	
COc1ccc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cc1	ZINC000068204446	EG	Annotated	Anodyne	 
NC(=O)C1CCN(c2c(Cl)cncc2-c2ccc(F)cc2)CC1	ZINC000068204449	EG	Annotated	Anodyne	 
COc1ccc(C[C@H]2c3cc(O)c(OC)cc3C=CN2C)cc1O	ZINC000069482333	EG	Annotated	Anodyne	in-vitro biogenic
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCc3ccco3)c2)on1	ZINC000007005381	EG	Annotated	Anodyne	 
Cc1cc(-c2ccc(S(=O)(=O)N3CCCCCC3)s2)on1	ZINC000007005520	EG	Annotated	Anodyne	 
C/C(=N\NC(=S)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1	ZINC000007010481	EG	Annotated	Mild	
OC1=Nc2ccc(F)cc2/C1=N\NC(=S)Nc1ccccc1F	ZINC000007010618	EG	Annotated	Mild	 
COc1cc(OC)c2c(c1)C(=O)O[C@@H]2c1cc(OC)c(OC)cc1C	ZINC000007089662	EG	Annotated	Anodyne	 
COc1cc(OC)c2c(c1)C(=O)O[C@H]2c1cc(OC)c(OC)cc1C	ZINC000007089663	EG	Annotated	Anodyne	 
COc1ccc2nc(Cl)c(/C=C3\SC(=S)NC3=O)cc2c1	ZINC000007155179	EG	Annotated	Clean	 
N=c1sccn1CC(=O)Nc1ccccc1Oc1ccccc1	ZINC000007191711	EG	Annotated	Anodyne	 
CCOC(=O)c1ccccc1NC(=O)COC(=O)CCC1CCCC1	ZINC000007483900	EG	Annotated	Anodyne	 
C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@@H]12)C3	ZINC000070454064	EG	Annotated	Anodyne	in-vitro biogenic
Oc1ccc(/C=C/[C@@H]2C[C@@H](O)CCc3cc(O)c(O)cc32)cc1O	ZINC000070455199	EG	Annotated	Clean	in-vitro biogenic
COC1=C[C@@]23C[C@@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=O	ZINC000070455315	EG	Annotated	Mild	in-vitro biogenic
COc1cc([N+](=O)[O-])ccc1-c1nn2c(-c3ccco3)nnc2s1	ZINC000070459650	EG	Annotated	Bother	
O=C1NCC/C(=N\Nc2ccccn2)c2c1[nH]c1ccc(Cl)cc21	ZINC000070460224	EG	Annotated	Mild	
O=C1NCC/C(=N\Nc2cccnc2)c2c1[nH]c1ccc(Cl)cc21	ZINC000070460233	EG	Annotated	Mild	
O=C1NCC/C(=N\Nc2ccncc2)c2c1[nH]c1ccc(Cl)cc21	ZINC000070460239	EG	Annotated	Mild	
CCNC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C	ZINC000070463019	EG	Annotated	Anodyne	
N=C(N)SCCCCOc1oc(=O)c2ccccc2c1Cl	ZINC000070463317	EG	Annotated	Anodyne	
CCc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)cc1	ZINC000070725322	EG	Annotated	Anodyne	
CCc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)c2cc(C)on2)cc1	ZINC000070725324	EG	Annotated	Anodyne	
COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1	ZINC000071281341	EG	Annotated	Anodyne	
[O-][n+]1nc2c(-c3ccc[nH]3)cnn2c2cc(-c3ccsc3)ccc21	ZINC000071281963	EG	Annotated	Anodyne	
Cc1ccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)cc1	ZINC000071281998	EG	Annotated	Mild	
Cc1cccc(N2CCN(C3=CC(=O)c4ccccc4C3=O)CC2)c1	ZINC000071282316	EG	Annotated	Mild	
[O-][n+]1nc2c(-c3ccsc3)cnn2c2cc(-c3ccc[nH]3)ccc21	ZINC000071294542	EG	Annotated	Anodyne	
c1ccc2c(c1)ccc[n+]2CCOCC[n+]1cccc2ccccc21	ZINC000071294580	EG	Annotated	Anodyne	
COc1cc2c[n+](CCc3cccc(Cl)c3)c(O)cc2cc1O	ZINC000071294736	EG	Annotated	Anodyne	
C=CCc1c(C)nc(-c2cnccn2)nc1Nc1ccc(C(=O)O)cc1	ZINC000071294776	EG	Annotated	Mild	
O=C(c1ccccc1)N1CC[C@](O)(c2cccnc2)[C@H]2CCCC[C@@H]21	ZINC000071296370	EG	Annotated	Anodyne	
COc1ccccc1C(=O)c1sc(Nc2ccccn2)nc1N	ZINC000071296399	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@@H]4O[C@@]412)[C@]1(CO1)C3	ZINC000071296430	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@@H]4O[C@@]412)[C@@]1(CO1)C3	ZINC000071296907	EG	Annotated	Anodyne	
Nc1cccc(Nc2nc(N)c(C(=O)c3cccc(F)c3)s2)c1	ZINC000071315945	EG	Annotated	Anodyne	
COc1ccc([C@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O	ZINC000071316179	EG	Annotated	Anodyne	
COc1ccc([C@@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)cc1O	ZINC000071316180	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)C(=O)OC3=O	ZINC000071317020	EG	Annotated	Reactive	
COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1O	ZINC000071317273	EG	Annotated	Anodyne	
COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4cc[nH]c4c32)ccc1O	ZINC000071317274	EG	Annotated	Anodyne	
CC(C)CCc1cn(-c2ccc(C(=O)N3CCCCC3)c(O)c2)nn1	ZINC000071317389	EG	Annotated	Anodyne	
CC(C)CCc1cn(-c2ccc(O)c(C(=O)N3CCCCC3)c2)nn1	ZINC000071317431	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2sc(Nc3ccncc3)nc2N)cc1	ZINC000071317433	EG	Annotated	Anodyne	
O=C(OCCO[N+](=O)[O-])C1(c2ccc(-c3ccccc3)c(F)c2)CC1	ZINC000071317611	EG	Annotated	Anodyne	
O=C(O)[C@@H]1CSc2c(C3CC3)c(COc3ccccc3)cc(=O)n21	ZINC000071317725	EG	Annotated	Anodyne	
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=O)[C@@H]3O	ZINC000071318527	EG	Annotated	Anodyne	
COc1ccc(C(=O)c2sc(Nc3ccccn3)nc2N)cc1	ZINC000071318943	EG	Annotated	Anodyne	
CCn1ccc2cc(-c3cnc(N)nc3-c3ccccc3O)cnc21	ZINC000071319033	EG	Annotated	Anodyne	
O=c1[nH]nc2n1-c1ccc(OCc3ccccc3Cl)cc1CCC2	ZINC000071319350	EG	Annotated	Anodyne	
Cc1ccc(/C=C/C(=O)c2ccc(O)c(CN3CCOCC3)c2)o1	ZINC000071329032	EG	Annotated	Mild	
COc1ccccc1C(=O)c1sc(Nc2cccnc2)nc1N	ZINC000071329269	EG	Annotated	Anodyne	
Cc1c(Cc2ccccc2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-]	ZINC000071329341	EG	Annotated	Anodyne	
O=C(c1cscn1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21	ZINC000071329474	EG	Annotated	Anodyne	
O=C(c1ccccc1)N1CC[C@](O)(c2ccccn2)[C@H]2CCCC[C@@H]21	ZINC000071329493	EG	Annotated	Anodyne	
Nc1nc(Nc2cccnc2)sc1C(=O)c1cccc([N+](=O)[O-])c1	ZINC000071329575	EG	Annotated	Bother	
COC[C@]12CCC(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2	ZINC000071330784	EG	Annotated	Reactive	
COc1ccc(C(=O)c2sc(Nc3cccnc3)nc2N)cc1	ZINC000071330812	EG	Annotated	Anodyne	
COc1cccc(C(=O)c2sc(Nc3ccccn3)nc2N)c1	ZINC000071330852	EG	Annotated	Anodyne	
COc1ccccc1C(=O)c1sc(Nc2ccncc2)nc1N	ZINC000071330989	EG	Annotated	Anodyne	
COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1	ZINC000071331087	EG	Annotated	Anodyne	
O=c1cc(CNCc2ccccc2Cl)oc2ccc(O)c(O)c12	ZINC000071331309	EG	Annotated	Clean	
COc1cccc(C#Cc2ccc3c(n2)CCN(C2CCCC2)C3=O)c1	ZINC000071331466	EG	Annotated	Mild	
Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)n[nH]1	ZINC000071331763	EG	Annotated	Mild	
CCOC(=O)[C@]12C(=O)OCC=C1CO[C@H]2c1ccc(C(C)(C)C)cc1	ZINC000071331927	EG	Annotated	Anodyne	
CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@H]2c1ccc(C(C)(C)C)cc1	ZINC000071331929	EG	Annotated	Anodyne	
CCOC(=O)[C@]12C(=O)OCC=C1CO[C@@H]2c1ccc(C(C)(C)C)cc1	ZINC000071331931	EG	Annotated	Anodyne	
CCOC(=O)[C@@]12C(=O)OCC=C1CO[C@@H]2c1ccc(C(C)(C)C)cc1	ZINC000071331932	EG	Annotated	Anodyne	
N=C(N)NC(=N)Nc1cccc(SCc2ccc(Cl)cc2)c1	ZINC000071331940	EG	Annotated	Anodyne	
CN1C(=O)O[C@@](C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O	ZINC000071333027	EG	Annotated	Anodyne	
CN1C(=O)O[C@](C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O	ZINC000071333029	EG	Annotated	Anodyne	
O=C(O)c1cn(Cc2ccc3ncccc3c2)c2cccc(F)c2c1=O	ZINC000071334458	EG	Annotated	Anodyne	
C[C@]12CC[C@H]3[C@@H](C/C(=N/O)C4=C/C(=N\O)CC[C@@]43C)[C@@H]1CCC(=O)N2	ZINC000071334805	EG	Annotated	Mild	
O=C1C[C@@H]2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1	ZINC000071335089	EG	Annotated	Anodyne	
O=C1C[C@H]2CCc3nn4ccccc4c3C2=NN1Cc1ccccc1	ZINC000071335092	EG	Annotated	Anodyne	
N=C(N)NC(=N)Nc1ccc(SCc2ccc(Cl)cc2)cc1	ZINC000071340264	EG	Annotated	Anodyne	
C#CCOc1ccc2c(c1)C(=O)c1c-2c(OCC#C)nc2ccccc12	ZINC000071340874	EG	Annotated	Mild	
C[C@@]12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2	ZINC000071340885	EG	Annotated	Anodyne	
C[C@]12CCc3nn4ccccc4c3C1=NN(Cc1ccccc1)C(=O)C2	ZINC000071340886	EG	Annotated	Anodyne	
CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)[C@H]1OC(=O)NC1=O	ZINC000071341174	EG	Annotated	Mild	
CC#C[C@H](c1ccc(OCc2ccccc2)cc1)[C@H]1OC(=O)NC1=O	ZINC000071341175	EG	Annotated	Mild	
CC#C[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1OC(=O)NC1=O	ZINC000071341176	EG	Annotated	Mild	
CC#C[C@H](c1ccc(OCc2ccccc2)cc1)[C@@H]1OC(=O)NC1=O	ZINC000071341177	EG	Annotated	Mild	
O=C1c2ccc(C#Cc3cccnc3)nc2CCN1C1CCCCC1	ZINC000071341336	EG	Annotated	Mild	
C[C@]12CC[C@H]3[C@@H](C/C(=N/O)[C@H]4C/C(=N\O)CC[C@@]43C)[C@@H]1CCC(=O)N2	ZINC000071341355	EG	Annotated	Mild	
C[C@]12CC[C@H]3[C@@H](C/C(=N/O)[C@@H]4C/C(=N\O)CC[C@]34C)[C@@H]1CCC(=O)N2	ZINC000071341356	EG	Annotated	Mild	
N#Cc1ccc(/C=C/Cn2cc(C(=O)O)c(=O)c3cccc(F)c32)cc1	ZINC000071341713	EG	Annotated	Mild	
CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(C2)[C@H]13	ZINC000071464810	EG	Annotated	Anodyne	
C=C1CC[C@@H]2/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]2C(=C)CC[C@@H]1O	ZINC000071712305	EG	Annotated	Mild	
C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	ZINC000071756380	EG	Annotated	Mild	in-man
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	ZINC000071756381	EG	Annotated	Mild	in-man endogenous
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	ZINC000071756388	EG	Annotated	Mild	in-man endogenous
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000071757614	EG	Annotated	Mild	
C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	ZINC000071757620	EG	Annotated	Mild	
O=C(C[C@H]1C=CS(=O)(=O)C1)NCC1CCC(c2ccccc2)CC1	ZINC000071888117	EG	Annotated	Anodyne	 
O=C(C[C@@H]1C=CS(=O)(=O)C1)NCC1CCC(c2ccccc2)CC1	ZINC000071888118	EG	Annotated	Anodyne	 
CC(C)OCCCNc1nccn(-c2ccc(F)c(Cl)c2)c1=O	ZINC000071928050	EG	Annotated	Anodyne	 
CCOCc1nc(N2CCCC2)sc1C(=O)NCc1ccc(C)o1	ZINC000071928128	EG	Annotated	Anodyne	 
N#CC(=C\c1[nH]c2ccccc2c1O)/C(N)=N/CCc1ccccc1	ZINC000071928346	EG	Annotated	Reactive	 
N#Cc1ccc(CN2CCC[C@@]3(Cc4ccccc4CNC3=O)C2)cc1	ZINC000071993555	EG	Annotated	Anodyne	 
N#Cc1ccc(CN2CCC[C@]3(Cc4ccccc4CNC3=O)C2)cc1	ZINC000071993556	EG	Annotated	Anodyne	 
O=C1NCc2ccccc2C[C@@]12CCCN(Cc1ccsc1)C2	ZINC000071993741	EG	Annotated	Anodyne	 
O=C1NCc2ccccc2C[C@]12CCCN(Cc1ccsc1)C2	ZINC000071993742	EG	Annotated	Anodyne	 
CN(C)CCN(Cc1ccccc1)Cc1coc(-c2ccco2)n1	ZINC000072100955	EG	Annotated	Anodyne	
CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCC=N1	ZINC000072101015	EG	Annotated	Mild	
Cc1cc(N)nn1Cc1coc(-c2ccccc2Br)n1	ZINC000072101016	EG	Annotated	Anodyne	
CCOc1ccc(Oc2cc(/C(=N/O)n3ccnc3C)ccn2)cc1	ZINC000072101050	EG	Annotated	Mild	
COc1ccccc1Oc1ncccc1/C(=N/O)NCc1ccco1	ZINC000072101061	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N(C)Cc2cccnc2)c(Oc2cccnc2)n1	ZINC000072101346	EG	Annotated	Mild	
O/N=C(\NCc1cc(F)cc(F)c1)c1cccnc1OC1CCC1	ZINC000072101357	EG	Annotated	Mild	
CSCCN/C(=N\O)c1ccc(C)nc1OCc1ccccc1C	ZINC000072101364	EG	Annotated	Mild	
Cc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCOCC2)c(C)c1	ZINC000072101424	EG	Annotated	Mild	
COc1ccc(CN/C(=N\O)c2cccnc2OCC(C)C)cc1	ZINC000072101695	EG	Annotated	Mild	
O/N=C(/c1ccc(Oc2ccc(-n3ccnc3)cc2)nc1)N1CC=CC1	ZINC000072101781	EG	Annotated	Mild	
COc1cc(-c2nc(CN3CCCCC3)co2)cc(OC)c1OC	ZINC000072101904	EG	Annotated	Anodyne	
COc1cc(-c2nc(CN3CC=CCC3)co2)cc(OC)c1OC	ZINC000072102068	EG	Annotated	Anodyne	
CCOc1ccccc1Oc1ncccc1/C(=N/O)N1CCN=C1C	ZINC000072102272	EG	Annotated	Mild	
CCOc1ccc(Oc2cc(/C(=N/O)NCCSC)ccn2)cc1	ZINC000072102365	EG	Annotated	Mild	
CSc1ccccc1Oc1ncccc1/C(=N/O)N1CCOCC1	ZINC000072102403	EG	Annotated	Mild	
Brc1ccccc1-c1nc(CNC[C@@H]2CCCO2)co1	ZINC000072102453	EG	Annotated	Anodyne	
COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CC=CC2)cc1	ZINC000072102485	EG	Annotated	Mild	
COc1ccc(Oc2ncccc2/C(=N/O)N2CCSCC2)cc1	ZINC000072102491	EG	Annotated	Mild	
Cc1nc(C=O)cn1Cc1coc(-c2ccccc2Br)n1	ZINC000072102496	EG	Annotated	Anodyne	
CCOc1ccccc1-c1nc(CN(C)C2CCN(C)CC2)co1	ZINC000072102715	EG	Annotated	Anodyne	
COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)n1ccnc1	ZINC000072102728	EG	Annotated	Mild	
N#CCCN(Cc1coc(-c2cccc(F)c2)n1)C[C@@H]1CCCO1	ZINC000072102827	EG	Annotated	Mild	
N#CCCN(Cc1coc(-c2cccc(F)c2)n1)C[C@H]1CCCO1	ZINC000072102828	EG	Annotated	Mild	
CC(C)COc1ncccc1/C(=N/O)NCc1c(F)cccc1F	ZINC000072103006	EG	Annotated	Mild	
COc1cccc(CNCc2coc(-c3ccc(O)cc3)n2)c1OC	ZINC000072103030	EG	Annotated	Anodyne	
COc1cc(C)ccc1Oc1nc(C)ccc1/C(=N/O)N1CCC=N1	ZINC000072103034	EG	Annotated	Mild	
COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCC=N2)cc1	ZINC000072103148	EG	Annotated	Mild	
C[C@@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072103376	EG	Annotated	Mild	
C[C@H]1CN1/C(=N\O)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1	ZINC000072103377	EG	Annotated	Mild	
CSCCN/C(=N\O)c1ccc(C)nc1OCc1ccccc1F	ZINC000072103425	EG	Annotated	Mild	
COc1ccc(Oc2cc(/C(=N/O)N3CC=CCC3)ccn2)cc1	ZINC000072103581	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2ccccc2F)n1	ZINC000072103706	EG	Annotated	Mild	
C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC	ZINC000072104331	EG	Annotated	Mild	
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@@H](C)/C=C/CC(=O)OC	ZINC000072104332	EG	Annotated	Mild	
C=CCOC(=O)N[C@@H](c1cccc(OC)c1)[C@H](C)/C=C/CC(=O)OC	ZINC000072104333	EG	Annotated	Mild	
CCc1nc(C)c(/C=C2\C(=O)N(C)c3ccc(C(=O)CCl)cc32)[nH]1	ZINC000072105907	EG	Annotated	Reactive	
CCN(C1=CC(=O)c2cnc3c(c2C1=O)C(=O)CCC3)c1ccccc1	ZINC000072106350	EG	Annotated	Mild	
CCN(C1=CC(=O)c2c(cnc3c2C(=O)CCC3)C1=O)c1ccccc1	ZINC000072107027	EG	Annotated	Mild	
O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCC1	ZINC000072107108	EG	Annotated	Anodyne	
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@H](C)NCc1ccccc1)CC2	ZINC000072107390	EG	Annotated	Anodyne	
Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@H](C)NCc1ccccc1)CC2	ZINC000072107391	EG	Annotated	Anodyne	
CN=[S@@](C)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1	ZINC000072107693	EG	Annotated	Anodyne	
N#Cc1c(-c2ccccc2)cc(NCCN)n2c1nc1ccccc12	ZINC000072108144	EG	Annotated	Mild	
Cc1nc2c(Br)cc(Br)c(O)c2nc1C	ZINC000072108452	EG	Annotated	Anodyne	 
COc1cc(C(=O)c2c[nH]c(-c3ccc(C)cc3)n2)cc(OC)c1O	ZINC000072108580	EG	Annotated	Anodyne	
CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3C[C@H](C3(C)C)[C@@]1(C)O2	ZINC000072109039	EG	Annotated	Anodyne	
CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(C)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C	ZINC000072109040	EG	Annotated	Anodyne	
CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)[C@@H]1C2	ZINC000072109069	EG	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@@]3(CCc4c(O)c(C=O)c(O)c(C=O)c4O3)[C@@H]1C2	ZINC000072109257	EG	Annotated	Anodyne	
Nc1ccc(-c2cnc3cc(I)ccc3n2)cc1	ZINC000072110064	EG	Annotated	Anodyne	
CC1(C)[C@H]2C[C@@H]3Cc4c(O)c(C=O)c(O)c(C=O)c4O[C@]3(C)C[C@H]21	ZINC000072110228	EG	Annotated	Anodyne	
CC1(C)[C@H]2CC[C@H](C2)[C@]12CCc1c(O)c(C=O)c(O)c(C=O)c1O2	ZINC000072110314	EG	Annotated	Anodyne	
CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3[C@@H](C[C@@]1(C)O2)C3(C)C	ZINC000072110355	EG	Annotated	Anodyne	
COC(=O)CCCc1cc[nH]c1/C=C1\N=C(c2ccc[nH]2)C=C1OC	ZINC000072110372	EG	Annotated	Anodyne	
CCC(=O)N[C@H](C1=C(O)[C@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1	ZINC000072110380	EG	Annotated	Anodyne	
CCC(=O)N[C@@H](C1=C(O)[C@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1	ZINC000072110381	EG	Annotated	Anodyne	
CCC(=O)N[C@H](C1=C(O)[C@@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1	ZINC000072110382	EG	Annotated	Anodyne	
CCC(=O)N[C@@H](C1=C(O)[C@@H]2NCCC[C@H]2C(Cl)=C1)c1ccco1	ZINC000072110383	EG	Annotated	Anodyne	
COc1ccc(C(=O)COC2=C(C)C(=O)C(=O)c3ccccc32)cc1	ZINC000072111162	EG	Annotated	Mild	
CCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccccc1	ZINC000072111404	EG	Annotated	Mild	
COCOCc1cc2c(cc1-c1cc3ccccc3c(=O)[nH]1)OCO2	ZINC000072112092	EG	Annotated	Anodyne	
O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCCC1	ZINC000072112192	EG	Annotated	Anodyne	
CCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1	ZINC000072112273	EG	Annotated	Anodyne	
COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)c(N)c1	ZINC000072113529	EG	Annotated	Anodyne	
C/C=C\c1nc([C@H]2OC(=O)C=C[C@@H]2OC(C)=O)c(-c2ccccc2)o1	ZINC000072113540	EG	Annotated	Anodyne	
COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)O[C@H](C(C)(C)O)C3	ZINC000072113711	EG	Annotated	Anodyne	
COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)O[C@@H](C(C)(C)O)C3	ZINC000072113712	EG	Annotated	Anodyne	
COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)OC(C)(C)[C@H](O)C3	ZINC000072114280	EG	Annotated	Anodyne	
COc1ccc2c(c1)[nH]c1c3c(c(C=O)cc12)OC(C)(C)[C@@H](O)C3	ZINC000072114281	EG	Annotated	Anodyne	
COc1ccc(-n2ccc3c(OC)c(OC)c(OC)cc32)cc1N	ZINC000072114665	EG	Annotated	Anodyne	
C=CCn1c(-c2cc3c(cc2C=O)OCO3)cc2ccccc2c1=O	ZINC000072114978	EG	Annotated	Mild	
N#Cc1ccc(Nc2nccc([C@H](O)c3cc(F)ccc3F)n2)cc1	ZINC000072114997	EG	Annotated	Mild	
N#Cc1ccc(Nc2nccc([C@@H](O)c3cc(F)ccc3F)n2)cc1	ZINC000072114998	EG	Annotated	Mild	
O=c1c(-c2ccco2)nnc2n1CCN2c1c(Cl)cccc1Cl	ZINC000072116529	EG	Annotated	Anodyne	
C[C@@H]1C(=O)N(CCCc2ccccc2)[C@]1(Cc1ccccc1)C(=O)O	ZINC000072116862	EG	Annotated	Anodyne	
Cc1cccc(C)c1Oc1ccc(=O)n(Nc2cccc(C#N)c2)n1	ZINC000072118060	EG	Annotated	Mild	
CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(C(C)C)CC2)O1	ZINC000072118419	EG	Annotated	Anodyne	
N#Cc1ccc(Nc2ccc(=O)n(Nc3ccc(C#N)cc3)c2)cc1	ZINC000072118584	EG	Annotated	Mild	
O=S(=O)(Cc1ccccc1Cl)c1ccc(-c2ccccn2)nn1	ZINC000072122819	EG	Annotated	Anodyne	
N#Cc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1	ZINC000072124613	EG	Annotated	Mild	
Oc1cccc(F)c1-n1nc(OC2CCNCC2)c2ccccc21	ZINC000072124848	EG	Annotated	Anodyne	
Oc1ccc(CCc2nnc3n2N=C(c2ccccc2)CS3)cc1	ZINC000072127624	EG	Annotated	Anodyne	
C=CCCN1[C@H](Cc2ccccc2)COc2ccccc2S1(=O)=O	ZINC000072134783	EG	Annotated	Mild	
C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O	ZINC000072136038	EG	Annotated	Mild	 
C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O	ZINC000072136039	EG	Annotated	Mild	 
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O	ZINC000072136040	EG	Annotated	Mild	 
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3O	ZINC000072136041	EG	Annotated	Mild	 
C[C@@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C	ZINC000072136141	EG	Annotated	Anodyne	
C[C@H]1[C@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C	ZINC000072136142	EG	Annotated	Anodyne	
C[C@@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C	ZINC000072136143	EG	Annotated	Anodyne	
C[C@H]1[C@@H](c2ccccc2)Oc2c(Cl)cccc2S(=O)(=O)N1C	ZINC000072136144	EG	Annotated	Anodyne	 
CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](C(C)=O)[C@@H]1C	ZINC000072136785	EG	Annotated	Anodyne	
CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(C)=O)[C@@H]1C	ZINC000072136786	EG	Annotated	Anodyne	
COCCN(CCOC)Cc1cc(=O)oc2ccc3ccccc3c12	ZINC000072138176	EG	Annotated	Bother	 
C=CCN1[C@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O	ZINC000072139422	EG	Annotated	Mild	
C=CCN1[C@@H](CC(C)C)COc2c(Cl)cccc2S1(=O)=O	ZINC000072139423	EG	Annotated	Mild	
N#CCCN(Cc1cccnc1)Cc1coc(-c2ccc(O)cc2)n1	ZINC000072141512	EG	Annotated	Mild	
Cc1cc(NCCN2CCCC2)n2nc(-c3cccc(F)c3)cc2n1	ZINC000072142360	EG	Annotated	Anodyne	
O=c1c(-c2ccco2)nnc2n1CCN2c1ccc(Cl)c(Cl)c1	ZINC000072142396	EG	Annotated	Anodyne	
O/N=C(/c1ccc(Oc2cccc3cccnc23)nc1)n1ccnc1	ZINC000072142405	EG	Annotated	Mild	
COc1cccc(Oc2ccc(/C(=N/O)N3CCSC3)cn2)c1	ZINC000072142681	EG	Annotated	Mild	
Oc1ccc(-c2nc(CN3CCC[C@H]3CN3CCCC3)co2)cc1	ZINC000072142850	EG	Annotated	Anodyne	
COC[C@H](C)NCc1coc(-c2ccccc2Br)n1	ZINC000072142858	EG	Annotated	Anodyne	
COC[C@@H](C)NCc1coc(-c2ccccc2Br)n1	ZINC000072142859	EG	Annotated	Anodyne	
O/N=C(/c1cccnc1Oc1ccc2ccccc2c1)N1CCOCC1	ZINC000072142914	EG	Annotated	Mild	
Cc1nc(NC2(CN3CCCCC3)CCCCC2)c2cnn(C)c2n1	ZINC000072149570	EG	Annotated	Anodyne	 
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)nc2c1C	ZINC000072170715	EG	Annotated	Reactive	
Nc1cccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)c1	ZINC000072170722	EG	Annotated	Anodyne	
O=C1c2cccnc2S(=O)N1Cc1ccc(Cl)c(Cl)c1	ZINC000072170814	EG	Annotated	Anodyne	
COc1ccc(Cn2c(S)nc3cc([N+](=O)[O-])ccc32)c(OC)c1	ZINC000072171089	EG	Annotated	Bother	
CCOC(=O)CSc1nnc2oc3c(Cl)cc(Cl)cc3n12	ZINC000072172319	EG	Annotated	Anodyne	
O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2cccc(O)c2)cc1	ZINC000072174772	EG	Annotated	Anodyne	
O=C1NCC[C@H](O)c2ccn(Cc3ccc(-c4ccccc4)cc3)c21	ZINC000072175161	EG	Annotated	Anodyne	
O=C1NCC[C@@H](O)c2ccn(Cc3ccc(-c4ccccc4)cc3)c21	ZINC000072175162	EG	Annotated	Anodyne	
O=C1CCNC(=O)c2c1ccn2Cc1ccc(-c2ccc(O)cc2)cc1	ZINC000072175370	EG	Annotated	Anodyne	
CCCCOc1cc(-c2noc(C3CCNCC3)n2)ccc1OC	ZINC000072175831	EG	Annotated	Anodyne	
O=C1/C(=C\Nc2cc[nH]n2)C(c2ccccc2)=NN1c1ccccc1	ZINC000072175940	EG	Annotated	Clean	
O=[N+]([O-])c1ccc(-c2nnc3sc(Nc4ccccc4)nn23)o1	ZINC000072176392	EG	Annotated	Bother	
O=[N+]([O-])c1ccc(-c2nnc3sc(Nc4ccc(F)cc4)nn23)o1	ZINC000072176393	EG	Annotated	Bother	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)[nH]c2cc1C	ZINC000072176509	EG	Annotated	Reactive	
CC1(C)Oc2cc(OC(=O)c3ccc(F)cc3F)ccc2C[C@H]1O	ZINC000072176861	EG	Annotated	Anodyne	
CC1(C)Oc2cc(OC(=O)c3ccc(F)cc3F)ccc2C[C@@H]1O	ZINC000072176862	EG	Annotated	Anodyne	
COc1ccc(N/N=C2\C(=O)Oc3ccc4ccccc4c3C2=O)cc1	ZINC000072176985	EG	Annotated	Mild	
CSc1nn(-c2ccccc2)c2cc(N3C[C@H]4C[C@@H]3CN4)ccc12	ZINC000072177584	EG	Annotated	Anodyne	
CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C	ZINC000072177826	EG	Annotated	Anodyne	
C[C@@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O	ZINC000072178067	EG	Annotated	Anodyne	
C[C@]1([C@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O	ZINC000072178068	EG	Annotated	Anodyne	
C[C@@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O	ZINC000072178069	EG	Annotated	Anodyne	
C[C@]1([C@@H](O)c2ccc(F)cc2)OC(=S)N(c2ccc(F)cc2)C1=O	ZINC000072178070	EG	Annotated	Anodyne	
Oc1ccc2ccccc2c1[C@@H](c1ccncc1)N1CCC(O)CC1	ZINC000072178212	EG	Annotated	Clean	
Oc1ccc2ccccc2c1[C@H](c1ccncc1)N1CCC(O)CC1	ZINC000072178213	EG	Annotated	Clean	
Oc1ccc2ccccc2c1[C@@H](c1ccccn1)N1CCC(O)CC1	ZINC000072178644	EG	Annotated	Clean	
Oc1ccc2ccccc2c1[C@H](c1ccccn1)N1CCC(O)CC1	ZINC000072178645	EG	Annotated	Clean	
COC(=O)c1nc(-c2ccc[nH]2)n(-c2ccc(C(F)(F)F)cc2)n1	ZINC000072178824	EG	Annotated	Anodyne	
Cc1ccc(C#Cc2nc3ncccc3nc2O[C@@H](C)CN(C)C)cc1	ZINC000072179022	EG	Annotated	Mild	
Cc1ccc(C#Cc2nc3ncccc3nc2O[C@H](C)CN(C)C)cc1	ZINC000072179023	EG	Annotated	Mild	
CC(=O)OCOC(=O)N(C)/N=N/c1ccc(Br)cc1	ZINC000072179095	EG	Annotated	Reactive	
COC(=O)c1nc(-c2ccoc2)n(-c2ccc(C(F)(F)F)cc2)n1	ZINC000072179096	EG	Annotated	Anodyne	
O=C(Cc1ccccc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21	ZINC000072179745	EG	Annotated	Reactive	
COc1ccc(Oc2nc(C)ccc2/C(=N/O)N2CCSC2)cc1	ZINC000072180194	EG	Annotated	Mild	
Cc1cc(NCCCN(C)C)n2nc(-c3cccc(F)c3)cc2n1	ZINC000072180226	EG	Annotated	Anodyne	
CCc1ccc(Oc2ncccc2/C(=N/O)N[C@@H](C)COC)cc1	ZINC000072180346	EG	Annotated	Mild	
CCc1ccc(Oc2ncccc2/C(=N/O)N[C@H](C)COC)cc1	ZINC000072180347	EG	Annotated	Mild	
COc1cccc(Oc2ccc(/C(=N/O)NCc3ccco3)cn2)c1	ZINC000072180528	EG	Annotated	Mild	
CCC(C)(C)N/C(=N\O)c1ccc(C)nc1OCc1ccccn1	ZINC000072180531	EG	Annotated	Mild	
CN(Cc1coc(-c2ccc(Cl)cc2Cl)n1)CC1OCCO1	ZINC000072180670	EG	Annotated	Anodyne	
Cc1ccc(/C(=N/O)N2CCCCCC2)c(OCc2ccccn2)n1	ZINC000072180782	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N2CCSC2)c(OCc2ccccc2)n1	ZINC000072181081	EG	Annotated	Mild	
CC(C)CCc1c(OCCCCC(=O)NO)ccc2c1OC(=O)CC2	ZINC000072181084	EG	Annotated	Bother	
COc1ccccc1CN/C(=N\O)c1ccc(C)nc1OC1CCC1	ZINC000072181134	EG	Annotated	Mild	
CCOc1cccc(-c2nc(CN3CCC4(CC3)OCCO4)co2)c1	ZINC000072181280	EG	Annotated	Anodyne	
COCCN/C(=N\O)c1ccnc(Oc2cccc(C(C)C)c2)c1	ZINC000072181343	EG	Annotated	Mild	
CC(C)COc1ccc(-c2nc(CNCCCN(C)C)co2)cc1	ZINC000072181454	EG	Annotated	Anodyne	
Cc1ccc(/C(=N/O)N2CCSC2)c(OCc2cccc(F)c2)n1	ZINC000072181787	EG	Annotated	Mild	
O/N=C(\NCC1CCCCC1)c1cccnc1OCC(F)(F)F	ZINC000072181792	EG	Annotated	Mild	
Cc1ccc(Oc2ncccc2/C(=N/O)N2CCC=N2)c2c1CCC2	ZINC000072181882	EG	Annotated	Mild	
CSCCN/C(=N\O)c1ccc(C)nc1OCc1cccc(F)c1	ZINC000072181969	EG	Annotated	Mild	
O/N=C(/c1cccnc1OCC1CCCCC1)N1CCSCC1	ZINC000072182090	EG	Annotated	Mild	
O/N=C(\NCc1ccncc1)c1ccc(Oc2cccc(F)c2)nc1	ZINC000072182099	EG	Annotated	Mild	
Cc1cn(/C(=N\O)c2ccc(C)nc2OCc2ccccc2F)cn1	ZINC000072182124	EG	Annotated	Mild	
O/N=C(\NCc1ccncc1)c1cccnc1Oc1ccc(F)cc1	ZINC000072182303	EG	Annotated	Mild	
COc1ccc(-c2nc(CN(C)c3cccc(OC)n3)co2)cc1	ZINC000072182332	EG	Annotated	Anodyne	
COC[C@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1	ZINC000072182455	EG	Annotated	Mild	
COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1	ZINC000072182456	EG	Annotated	Mild	
O/N=C(\NCc1cccnc1)c1cccnc1OCC1CCCCC1	ZINC000072182567	EG	Annotated	Mild	
COc1ccc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)cc1	ZINC000072182631	EG	Annotated	Mild	
CC(C)c1ccc(Oc2ncccc2/C(=N/O)N2CCOCC2)cc1	ZINC000072182636	EG	Annotated	Mild	
CSc1ccc(Oc2ccc(/C(=N/O)n3ccnc3)cn2)cc1	ZINC000072182678	EG	Annotated	Mild	
COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1	ZINC000072182687	EG	Annotated	Mild	
COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(SC)cc2)c1	ZINC000072182688	EG	Annotated	Mild	
COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCSC)cc1	ZINC000072182795	EG	Annotated	Mild	
COc1ccc(Oc2nc(C)ccc2/C(=N/O)NC2CCC2)cc1	ZINC000072182820	EG	Annotated	Mild	
COc1ccc(Oc2cc(/C(=N/O)NCc3ccco3)ccn2)cc1	ZINC000072182949	EG	Annotated	Mild	
COc1ccccc1Oc1ncccc1/C(=N/O)N1CCSCC1	ZINC000072182953	EG	Annotated	Mild	
O/N=C(\NCc1ccccn1)c1ccnc(Oc2cccc(F)c2)c1	ZINC000072182954	EG	Annotated	Mild	
CCOc1ccccc1Oc1ncccc1/C(=N/O)n1cnc(C)c1	ZINC000072182982	EG	Annotated	Mild	
O=Cc1cn(Cc2coc(-c3ccc(Br)cc3)n2)cn1	ZINC000072183065	EG	Annotated	Anodyne	
COc1ccc(Oc2ncccc2/C(=N/O)NCc2ccco2)cc1	ZINC000072183120	EG	Annotated	Mild	
O/N=C(\NC[C@@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2)nc1	ZINC000072183276	EG	Annotated	Mild	
O/N=C(\NC[C@H]1CCCO1)c1ccc(Oc2ccc(Cl)cc2)nc1	ZINC000072183277	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N2CC=CC2)c(OCc2cccc(F)c2)n1	ZINC000072183290	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)n2ccnc2C)c(OCc2ccccc2C)n1	ZINC000072183292	EG	Annotated	Mild	
Cc1cc(C)cc(Oc2ccc(/C(=N/O)NC[C@@H]3CCCO3)cn2)c1	ZINC000072183318	EG	Annotated	Mild	
Cc1cc(C)cc(Oc2ccc(/C(=N/O)NC[C@H]3CCCO3)cn2)c1	ZINC000072183319	EG	Annotated	Mild	
COC[C@H](C)N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1	ZINC000072183347	EG	Annotated	Mild	
COC[C@@H](C)N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2)nc1	ZINC000072183348	EG	Annotated	Mild	
O/N=C(\NCc1cccnc1)c1ccnc(Oc2cccc(F)c2)c1	ZINC000072183362	EG	Annotated	Mild	
COCCN/C(=N\O)c1cccnc1Oc1ccc(C)c2c1CCC2	ZINC000072183687	EG	Annotated	Mild	
CCN(CCC#N)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000072183719	EG	Annotated	Mild	
COC[C@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1C	ZINC000072183753	EG	Annotated	Mild	
COC[C@@H](C)N/C(=N\O)c1ccc(C)nc1OCc1ccccc1C	ZINC000072183754	EG	Annotated	Mild	
CCOc1ccc(Oc2cc(/C(=N/O)N3CCC=N3)ccn2)cc1	ZINC000072184066	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N(C)Cc2ccco2)c(Oc2cccnc2)n1	ZINC000072184097	EG	Annotated	Mild	
Cc1ccc(Oc2nc(C)ccc2/C(=N/O)NCCN(C)C)c(C)c1	ZINC000072184316	EG	Annotated	Mild	
Cc1ncn(Cc2coc(-c3ccc(Br)cc3)n2)c1C=O	ZINC000072184336	EG	Annotated	Anodyne	
CCOCCNCc1coc(-c2ccccc2Br)n1	ZINC000072184414	EG	Annotated	Anodyne	
COc1ccc(Oc2nc(C)ccc2/C(=N/O)NCC2CC2)cc1	ZINC000072184436	EG	Annotated	Mild	
Cc1cn(/C(=N\O)c2cccnc2Oc2c(F)cccc2F)cn1	ZINC000072184476	EG	Annotated	Mild	
CCOC(=O)C1CCN(Cc2coc(-c3ccccc3C)n2)CC1	ZINC000072184522	EG	Annotated	Anodyne	
O/N=C(\NCc1ccccc1F)c1cccnc1OCC(F)(F)F	ZINC000072184637	EG	Annotated	Mild	
CCOc1ccccc1CN/C(=N\O)c1cccnc1OCC(C)C	ZINC000072184775	EG	Annotated	Mild	
COC[C@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1	ZINC000072184802	EG	Annotated	Mild	
COC[C@@H](C)N/C(=N\O)c1ccc(Oc2cc(C)cc(C)c2)nc1	ZINC000072184803	EG	Annotated	Mild	
O/N=C(/c1ccc(Oc2ccc3ccccc3c2)nc1)N1CCOCC1	ZINC000072184965	EG	Annotated	Mild	
COc1cccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)c1	ZINC000072185081	EG	Annotated	Mild	
COc1cccc(Oc2ccc(/C(=N/O)n3nc(C)cc3C)cn2)c1	ZINC000072185114	EG	Annotated	Mild	
COC[C@H](C)N/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1	ZINC000072185124	EG	Annotated	Mild	
COC[C@@H](C)N/C(=N\O)c1ccnc(Oc2ccc(Cl)cc2)c1	ZINC000072185125	EG	Annotated	Mild	
COCCN/C(=N\O)c1cccnc1Oc1ccc(C(C)C)cc1	ZINC000072185234	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N2CCCC2)c(OCc2ccccc2F)n1	ZINC000072185428	EG	Annotated	Mild	
Oc1ccc(-c2nc(CN3CCN(C4CCCCC4)CC3)co2)cc1	ZINC000072185530	EG	Annotated	Anodyne	
COc1cccc(CN/C(=N\O)c2ccc(C)nc2OCC(C)C)c1	ZINC000072185535	EG	Annotated	Mild	
CCOc1ccccc1-c1nc(CN2CCC3(CC2)OCCO3)co1	ZINC000072185558	EG	Annotated	Anodyne	
CN(Cc1coc(-c2ccc(C(F)(F)F)cc2)n1)CC1OCCO1	ZINC000072185596	EG	Annotated	Anodyne	
COc1cc(CNCc2coc(-c3ccc(O)cc3)n2)cc(OC)c1	ZINC000072185631	EG	Annotated	Anodyne	
CCOc1ccc(-c2nc(CNCC(C)(C)CN(C)C)co2)cc1	ZINC000072185683	EG	Annotated	Anodyne	
CSCCN/C(=N\O)c1cccnc1Oc1c(F)cccc1F	ZINC000072185812	EG	Annotated	Mild	
OC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072185918	EG	Annotated	Anodyne	
OC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1	ZINC000072185919	EG	Annotated	Anodyne	
COc1ccc(Oc2ncccc2/C(=N/O)n2nc(C)cc2C)cc1	ZINC000072186007	EG	Annotated	Mild	
CCOc1cccc(-c2nc(CNCC(C)(C)CN(C)C)co2)c1	ZINC000072186008	EG	Annotated	Anodyne	
O=Cc1nccn1Cc1coc(-c2ccc(Br)cc2)n1	ZINC000072186024	EG	Annotated	Anodyne	
C[C@@H]1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F	ZINC000072186045	EG	Annotated	Mild	
C[C@H]1CCCN1/C(=N\O)c1cccnc1OCc1ccccc1F	ZINC000072186046	EG	Annotated	Mild	
Cc1ccc(Oc2ccc(/C(=N/O)N3CCSCC3)cn2)cc1	ZINC000072186118	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)N2CCSC2)c(Oc2cccc(F)c2)n1	ZINC000072186195	EG	Annotated	Mild	
CSCCN/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1	ZINC000072186210	EG	Annotated	Mild	
CCc1nccn1Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1	ZINC000072186377	EG	Annotated	Anodyne	
Cc1cn(/C(=N\O)c2ccc(C)nc2OCc2cccc(F)c2)cn1	ZINC000072186464	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)NC2CCC2)c(OCc2cccc(F)c2)n1	ZINC000072186500	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)n2ccnc2)c(Oc2ccc(F)c(F)c2)n1	ZINC000072186505	EG	Annotated	Mild	
O/N=C(\NCc1ccccn1)c1ccc(Oc2ccc(F)cc2)nc1	ZINC000072186552	EG	Annotated	Mild	
O/N=C(\NCc1c(F)cccc1F)c1cccnc1OC1CCC1	ZINC000072186558	EG	Annotated	Mild	
Cc1ccc(/C(=N/O)NCc2ccccc2)c(OCc2ccccn2)n1	ZINC000072186585	EG	Annotated	Mild	
CC(C)(C)OC(=O)NC1CCC(Nc2ccnc(Cl)n2)CC1	ZINC000072203896	EG	Annotated	Anodyne	 
Cc1ccc(-c2ccc(O[C@@H]3C4CCN(CC4)[C@H]3C)nn2)c(F)c1	ZINC000072283456	EG	Annotated	Anodyne	
N#Cc1ccccc1OCCN1CCC[C@H](c2noc(C3CC3)n2)C1	ZINC000072299949	EG	Annotated	Mild	 
N#Cc1ccccc1OCCN1CCC[C@@H](c2noc(C3CC3)n2)C1	ZINC000072299950	EG	Annotated	Mild	 
COc1c(C)cnc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)c1C	ZINC000072299959	EG	Annotated	Anodyne	 
COc1c(C)cnc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1C	ZINC000072299960	EG	Annotated	Anodyne	 
CCN1CC(C)(C)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1	ZINC000072314853	EG	Annotated	Anodyne	 
CCN1CC(C)(C)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1	ZINC000072314854	EG	Annotated	Anodyne	 
CNc1cccc(NCCc2cccc(NCCc3ccccn3)n2)n1	ZINC000072316762	EG	Annotated	Anodyne	 
CNc1cccc(NCCc2cccc(NCc3ccccn3)n2)n1	ZINC000072316763	EG	Annotated	Anodyne	 
CNc1cccc(CCNc2cccc(NCCc3ccccn3)n2)n1	ZINC000072316764	EG	Annotated	Anodyne	 
COc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1OC	ZINC000072317057	EG	Annotated	Anodyne	
C[C@@H]1CC[C@@]2(CO)C(C(=O)O)=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1	ZINC000072320356	EG	Annotated	Anodyne	 
CCN(CC)CCC[C@@H](C)NC(=O)c1cnc2cc(C(C)=O)[nH]c2c1	ZINC000072322842	EG	Annotated	Anodyne	 
CCN(CC)CCC[C@H](C)NC(=O)c1cnc2cc(C(C)=O)[nH]c2c1	ZINC000072322843	EG	Annotated	Anodyne	 
CCN(CC)CCCNC(=O)c1cn(C(C)(C)C)c2ncccc12	ZINC000072323128	EG	Annotated	Anodyne	 
O=C(NC[C@@H]1CCCO1)c1cnc2c(ccn2C2CCCCC2)c1	ZINC000072323647	EG	Annotated	Anodyne	 
O=C(NC[C@H]1CCCO1)c1cnc2c(ccn2C2CCCCC2)c1	ZINC000072323648	EG	Annotated	Anodyne	 
N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)N3CCCC3)cc12	ZINC000072323713	EG	Annotated	Mild	 
CCCCNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1	ZINC000072323731	EG	Annotated	Mild	 
CC(C)CNC(=O)c1cnc2c(c1)c(C#N)cn2Cc1ccccc1	ZINC000072323733	EG	Annotated	Mild	 
CCCn1ccnc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1	ZINC000072360821	EG	Annotated	Anodyne	 
CCCn1ccnc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1	ZINC000072360822	EG	Annotated	Anodyne	 
Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN(C(C)C)C2)n1	ZINC000072361674	EG	Annotated	Anodyne	 
Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN(C(C)C)C2)n1	ZINC000072361675	EG	Annotated	Anodyne	 
CC(C)(C)CN1CCC[C@H](c2nccnc2Nc2cnccn2)C1	ZINC000072361897	EG	Annotated	Anodyne	 
CC(C)(C)CN1CCC[C@@H](c2nccnc2Nc2cnccn2)C1	ZINC000072361898	EG	Annotated	Anodyne	 
CC(C)n1ccnc1CN1CCC[C@@H]1c1cccc(-n2ccnc2)n1	ZINC000072366774	EG	Annotated	Anodyne	 
CC(C)n1ccnc1CN1CCC[C@H]1c1cccc(-n2ccnc2)n1	ZINC000072366775	EG	Annotated	Anodyne	 
c1c[nH]c(CN2CCC[C@@H](Cc3ccc(NC4CCCC4)nn3)C2)n1	ZINC000072387295	EG	Annotated	Anodyne	 
c1c[nH]c(CN2CCC[C@H](Cc3ccc(NC4CCCC4)nn3)C2)n1	ZINC000072387296	EG	Annotated	Anodyne	 
Cc1ccc(CN2CCC[C@H](c3nn(C)c4nccnc34)C2)s1	ZINC000072393850	EG	Annotated	Anodyne	 
Cc1ccc(CN2CCC[C@@H](c3nn(C)c4nccnc34)C2)s1	ZINC000072393851	EG	Annotated	Anodyne	 
Cc1cc(C(F)(F)F)nc(CNc2cc(C)nc3cc(C)nn23)n1	ZINC000072407223	EG	Annotated	Anodyne	 
Cc1cc(N[C@@H](C)c2nncn2C2CCCC2)n2nc(C)cc2n1	ZINC000072426704	EG	Annotated	Anodyne	 
Cc1cc(N[C@H](C)c2nncn2C2CCCC2)n2nc(C)cc2n1	ZINC000072426705	EG	Annotated	Anodyne	 
Cc1cc2nc(C(C)C)cc(NC[C@@H](c3ccccn3)N(C)C)n2n1	ZINC000072481146	EG	Annotated	Anodyne	 
Cc1cc2nc(C(C)C)cc(NC[C@H](c3ccccn3)N(C)C)n2n1	ZINC000072481147	EG	Annotated	Anodyne	 
C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@@H](C)/C=C\CC(=O)OC	ZINC000072946506	EG	Annotated	Mild	
C=CCOC(=O)N[C@H](c1cccc(OC)c1)[C@H](C)/C=C\CC(=O)OC	ZINC000072946509	EG	Annotated	Anodyne	 
N#Cc1c(Nc2ccccc2)c(/C=N\N=C\c2ccccc2)c[nH]c1=O	ZINC000073010244	EG	Annotated	Mild	 
CCOC(=O)c1c(C)[nH]c(/C(C)=N\NC(=O)c2cccs2)c1C	ZINC000073067470	EG	Annotated	Reactive	
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(N)ccc12	ZINC000073129372	EG	Annotated	Bother	
CCCCCCCCn1n[n+](CC)c2c1C(=O)c1ccccc1C2=O	ZINC000073140425	EG	Annotated	Mild	
C[C@@H](Oc1cc([C@H](CN)CC(=O)O)ccc1Cl)c1ccncc1	ZINC000073140540	EG	Annotated	Anodyne	
COc1cccc(Cn2nncc2-c2cc(OC)cc(OC)c2)c1	ZINC000073141499	EG	Annotated	Anodyne	
Cn1cc(-c2ccccc2OCC(=O)c2ccc(Cl)nc2)cn1	ZINC000073156971	EG	Annotated	Anodyne	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)OCCN2C)c1ccccc1	ZINC000073157064	EG	Annotated	Reactive	
CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1	ZINC000073158920	EG	Annotated	Anodyne	
CN(C)CCN1C(=O)CCc2cc(NC(=N)c3cccs3)ccc21	ZINC000073159827	EG	Annotated	Anodyne	
CN1C(=N)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O	ZINC000073159970	EG	Annotated	Bother	
CCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1	ZINC000073161143	EG	Annotated	Bother	
CCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1	ZINC000073161146	EG	Annotated	Bother	
C=CCO[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1	ZINC000073162133	EG	Annotated	Mild	
C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CC(=O)O[C@H]1O	ZINC000073162260	EG	Annotated	Mild	
CC(=O)Nc1ccnc(SC(F)(F)c2nc3ccccc3o2)n1	ZINC000073163691	EG	Annotated	Anodyne	
COc1cc2c(cc1OC)/C(=N/NC(=S)Nc1ccccc1)CC2	ZINC000073165266	EG	Annotated	Mild	
C[C@H](Oc1cc([C@H](CN)CC(=O)O)ccc1Cl)c1ccncc1	ZINC000073165880	EG	Annotated	Anodyne	
Cc1cnccc1COc1cc([C@H](CN)CC(=O)O)ccc1Cl	ZINC000073165885	EG	Annotated	Anodyne	
CCOc1ccc(C2=NN(C)C(=O)Cc3ccccc32)cc1OCC	ZINC000073167716	EG	Annotated	Anodyne	
CCn1ncn(-c2nc3c(s2)[C@H](C)Sc2sccc2-3)c1=O	ZINC000073168453	EG	Annotated	Anodyne	
CCn1ncn(-c2nc3c(s2)[C@@H](C)Sc2sccc2-3)c1=O	ZINC000073168456	EG	Annotated	Anodyne	
O=C(COc1ccccc1-c1cncnc1)c1ccc(Cl)nc1	ZINC000073168530	EG	Annotated	Anodyne	
CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1	ZINC000073169479	EG	Annotated	Anodyne	
C=CCO[C@@H]1C=CCC[C@H]1N(O)c1ccc(Br)cn1	ZINC000073169510	EG	Annotated	Mild	
COc1cc2c3c(cc4cc(O)c(O)cc4c3c1O)[N+](C)(C)CC2	ZINC000073170023	EG	Annotated	Clean	
Cc1ccn2c(N)nnc2c1-c1ccc2c(c1)NC(=O)C21CCCC1	ZINC000073170173	EG	Annotated	Anodyne	
CCCCCCCCCn1n[n+](C)c2c1C(=O)c1ccccc1C2=O	ZINC000073195827	EG	Annotated	Mild	
Cc1c(COCCCCOCC2(C)COC2)[nH]c2ccccc2c1=O	ZINC000073196321	EG	Annotated	Anodyne	
CN(C)Cc1ccc(/C=C/c2ccc(CN(C)C)c(O)c2)cc1O	ZINC000073197245	EG	Annotated	Clean	
O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1Cl	ZINC000073197476	EG	Annotated	Anodyne	
O=S(=O)(c1cccc(Cl)c1)c1ccc2c(c1)O[C@H]1CNCC[C@@H]21	ZINC000073197840	EG	Annotated	Anodyne	
CCN(C(C)=O)c1cccc(-n2cnc3c(Cl)nc(C)nc32)c1	ZINC000073198720	EG	Annotated	Anodyne	
CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1	ZINC000073199202	EG	Annotated	Anodyne	
CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1	ZINC000073199203	EG	Annotated	Anodyne	
COc1cc(C)c(S(=O)(=O)Nc2cnc3ccccn23)c(C)c1C	ZINC000073199357	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)N1	ZINC000073200476	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)N1	ZINC000073200478	EG	Annotated	Anodyne	
NC(=O)c1cccc(-c2nc3cc(C(=O)O)ccc3c3cnccc23)c1	ZINC000073219207	EG	Annotated	Bother	
C=C[C@]1(C)C=C2[C@@H](O)C[C@H]3C(C)(C)CCC[C@]3(C(=O)O)[C@@]2(O)CC1	ZINC000073219349	EG	Annotated	Mild	
CCc1ccn2c3c(c(C(=O)OC)c2c1)C(=O)c1ccccc1C3=O	ZINC000073220798	EG	Annotated	Clean	
Oc1cc2c(cc1O)[C@H]1c3cc(C(F)(F)F)ccc3CN[C@@H]1CO2	ZINC000073221140	EG	Annotated	Clean	
CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)C(C)=C(C)C2=O	ZINC000073222964	EG	Annotated	Mild	
COCO[C@@H](c1ccccc1)[C@@H](CN1CCOCC1)c1ccccc1	ZINC000073223892	EG	Annotated	Anodyne	
COc1cc(O)ccc1/C=C/C(=O)OCCCc1ccc(O)cc1	ZINC000073224530	EG	Annotated	Anodyne	
O=S(=O)(c1ccc(F)cc1)c1ccc2c3c(oc2c1)CNCC3	ZINC000073224738	EG	Annotated	Anodyne	
CCOC(=O)c1c2c(n3ccc(CC)cc13)C(=O)c1ccccc1C2=O	ZINC000073240438	EG	Annotated	Clean	
[N-]=[N+]=N[C@@]1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O	ZINC000073258601	EG	Annotated	Clean	 
[N-]=[N+]=N[C@]1(Cc2ccccc2)C(=O)c2cccc3c2N(CCC3)C1=O	ZINC000073258603	EG	Annotated	Clean	 
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O	ZINC000073258910	EG	Annotated	Mild	
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4c5nonc5CC[C@@]43C)[C@@H]1C/C(=N/O)C2=O	ZINC000073258911	EG	Annotated	Mild	
O/N=C/C1=NCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000073276078	EG	Annotated	Mild	
CO[C@]12OC[C@@H](O)c3c(C)ccc(c31)C1=C(C2=O)C(C)(C)CCC1	ZINC000073279990	EG	Annotated	Mild	
CC(=O)c1c(NNc2ccc(Br)cc2)cc(C)oc1=O	ZINC000073280498	EG	Annotated	Anodyne	
CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C[C@]12CCC/C=C/CO2	ZINC000073292305	EG	Annotated	Anodyne	
Oc1ccc(-n2nnc3ccc(NCc4ccc(F)cc4)nc32)cc1	ZINC000073293724	EG	Annotated	Anodyne	
CC1=C2C(=O)c3ccccc3C(=O)[C@H]2C[C@@H](N2CCCCCC2=O)O1	ZINC000073294500	EG	Annotated	Mild	
O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@H]1C[C@H]1c1ccccc1	ZINC000073294580	EG	Annotated	Anodyne	
O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@H]1C[C@@H]1c1ccccc1	ZINC000073294581	EG	Annotated	Anodyne	
O=C(Nc1cc2[nH]cc3cn[nH]c(=O)c(c1)c32)[C@@H]1C[C@@H]1c1ccccc1	ZINC000073294584	EG	Annotated	Anodyne	
Cc1[nH]c(=O)nc(-c2cccc(O)c2)c1C(=O)OCC1CCCCC1	ZINC000073295362	EG	Annotated	Anodyne	
C[C@]12CC[C@@H]3[C@@H](CC[C@H]4c5nonc5CC[C@@]43C)[C@H]1C/C(=N/O)C2=O	ZINC000073298908	EG	Annotated	Mild	
CC(C)c1cc(NCCO)nc(-c2ccc(Br)cc2)n1	ZINC000073311589	EG	Annotated	Anodyne	
OCCNc1cc(C(F)F)nc(-c2ccc(Br)cc2)n1	ZINC000073311592	EG	Annotated	Anodyne	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc2c1C	ZINC000073313231	EG	Annotated	Reactive	
N#Cc1ccc(Nc2nc(Cc3c(F)cccc3F)cc(=O)[nH]2)cc1	ZINC000073313799	EG	Annotated	Mild	
O=C1C(Cl)=C(Cl)C(=O)C(CCNc2nccs2)=C1Cl	ZINC000073333221	EG	Annotated	Mild	
CC1(C)CO[C@H]2[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21	ZINC000073352885	EG	Annotated	Anodyne	
CC1(C)CO[C@@H]2[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21	ZINC000073352886	EG	Annotated	Anodyne	
CC1(C)CO[C@H]2[C@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21	ZINC000073352890	EG	Annotated	Anodyne	
CC1(C)CO[C@@H]2[C@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)N21	ZINC000073352892	EG	Annotated	Anodyne	
N=NCC(=O)OC(COCc1ccccc1)COCc1ccccc1	ZINC000073369420	EG	Annotated	Clean	
CCOC1=C2N=C(Cc3ccc(F)cc3)N[C@@H]2C(=O)c2ccccc21	ZINC000073374632	EG	Annotated	Anodyne	
COc1ccc(N)c(C2=NN(C(=O)C3CCCC3)C(C)(C)S2)c1	ZINC000073387356	EG	Annotated	Anodyne	
Cc1ccccc1C1=N[C@@](C)(CC(=O)NCc2ccccc2)ON1C	ZINC000074373209	EG	Annotated	Anodyne	 
Cc1ccccc1C1=N[C@](C)(CC(=O)NCc2ccccc2)ON1C	ZINC000074373213	EG	Annotated	Anodyne	 
CN1O[C@@](C)(CC(=O)N(C)c2ccccc2)N=C1c1ccccc1F	ZINC000074373375	EG	Annotated	Anodyne	 
CN1O[C@](C)(CC(=O)N(C)c2ccccc2)N=C1c1ccccc1F	ZINC000074373379	EG	Annotated	Anodyne	 
CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1	ZINC000074373392	EG	Annotated	Anodyne	 
CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1	ZINC000074373395	EG	Annotated	Anodyne	 
Cc1ccccc1C1=N[C@@](C)(CC(=O)Nc2cccc(O)c2)ON1C	ZINC000074373398	EG	Annotated	Anodyne	 
Cc1ccccc1C1=N[C@](C)(CC(=O)Nc2cccc(O)c2)ON1C	ZINC000074373401	EG	Annotated	Anodyne	 
CC(C)NC(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1	ZINC000074373422	EG	Annotated	Anodyne	 
CC(C)NC(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1	ZINC000074373426	EG	Annotated	Anodyne	 
CN1O[C@@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1F	ZINC000074373597	EG	Annotated	Anodyne	 
CN1O[C@](C)(CC(=O)Nc2ccccc2)N=C1c1ccccc1F	ZINC000074373600	EG	Annotated	Anodyne	 
CN1O[C@@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1F	ZINC000074373604	EG	Annotated	Anodyne	 
CN1O[C@](C)(CC(=O)Nc2cccc(F)c2)N=C1c1ccccc1F	ZINC000074373606	EG	Annotated	Anodyne	 
Cc1ccc(NC(=O)C[C@]2(C)N=C(c3cccnc3)N(C)O2)cc1C	ZINC000074374306	EG	Annotated	Anodyne	 
Cc1ccc(NC(=O)C[C@@]2(C)N=C(c3cccnc3)N(C)O2)cc1C	ZINC000074374309	EG	Annotated	Anodyne	 
CCCNC(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1	ZINC000074374370	EG	Annotated	Anodyne	 
CCCNC(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1	ZINC000074374376	EG	Annotated	Anodyne	 
CCN(CC)C(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1	ZINC000074374388	EG	Annotated	Anodyne	 
CCN(CC)C(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1	ZINC000074374395	EG	Annotated	Anodyne	 
CN1O[C@@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccccc1	ZINC000074374561	EG	Annotated	Anodyne	 
CN1O[C@](C)(CC(=O)N2CCc3ccccc3C2)N=C1c1ccccc1	ZINC000074374565	EG	Annotated	Anodyne	 
COC(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3C(C)C)c1	ZINC000074374846	EG	Annotated	Anodyne	 
COCCN1C(=O)COCc2cc(-c3cc(F)cc(F)c3)ccc21	ZINC000074374918	EG	Annotated	Anodyne	 
CCCN1C(=O)COCc2cc(-c3cccc(C(=O)OC)c3)ccc21	ZINC000074374928	EG	Annotated	Anodyne	 
COCCN1C(=O)COCc2cc(-c3ccc(F)cc3OC)ccc21	ZINC000074375046	EG	Annotated	Anodyne	 
COCCN1C(=O)COCc2ccc(-c3cc(F)cc(F)c3)cc21	ZINC000074375085	EG	Annotated	Anodyne	 
CC(C)N1C(=O)COCc2ccc(-c3ccc4c(c3)OCO4)cc21	ZINC000074375134	EG	Annotated	Anodyne	 
COCCN1C(=O)COCc2ccc(-c3ccc(F)cc3OC)cc21	ZINC000074375260	EG	Annotated	Anodyne	 
O=C1COCc2cc(-c3ccc4c(c3)OCO4)ccc2N1CC1CC1	ZINC000074375381	EG	Annotated	Anodyne	 
COCCN1C(=O)COCc2cc(-c3cccc(COC)c3)ccc21	ZINC000074375496	EG	Annotated	Anodyne	 
COCCN1C(=O)COCc2ccc(-c3cccc(COC)c3)cc21	ZINC000074375566	EG	Annotated	Anodyne	 
Cc1ccc(CN2C(=O)COCc3cc(-c4cnn(C)c4)ccc32)cc1	ZINC000074375892	EG	Annotated	Anodyne	 
COC(=O)c1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1	ZINC000074375922	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC3CCCCC3)C[C@H]12	ZINC000074377196	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC3CCCCC3)C[C@H]12	ZINC000074377199	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)NC3CCCCC3)C[C@@H]12	ZINC000074377202	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)NC3CCCCC3)C[C@@H]12	ZINC000074377208	EG	Annotated	Anodyne	 
Cc1cccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2)c1C	ZINC000074377792	EG	Annotated	Anodyne	 
Cc1cccc(C(=O)N2C[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c1C	ZINC000074377796	EG	Annotated	Anodyne	 
Cc1cccc(C(=O)N2C[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2)c1C	ZINC000074377800	EG	Annotated	Anodyne	 
Cc1cccc(C(=O)N2C[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2)c1C	ZINC000074377805	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]12	ZINC000074377860	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@H]12	ZINC000074377864	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]12	ZINC000074377867	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]12	ZINC000074377871	EG	Annotated	Anodyne	 
O=C(c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1	ZINC000074378058	EG	Annotated	Anodyne	 
O=C(c1ccccc1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1	ZINC000074378061	EG	Annotated	Anodyne	 
O=C(c1ccccc1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1	ZINC000074378065	EG	Annotated	Anodyne	 
O=C(c1ccccc1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1	ZINC000074378069	EG	Annotated	Anodyne	 
Cc1ccc(F)cc1C(=O)N1C[C@@H]2ON=C(c3ccccc3C)[C@H]2C1	ZINC000074378771	EG	Annotated	Anodyne	 
Cc1ccc(F)cc1C(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@H]2C1	ZINC000074378775	EG	Annotated	Anodyne	 
Cc1ccc(F)cc1C(=O)N1C[C@H]2C(c3ccccc3C)=NO[C@H]2C1	ZINC000074378784	EG	Annotated	Anodyne	 
Cc1ccc(F)cc1C(=O)N1C[C@H]2ON=C(c3ccccc3C)[C@@H]2C1	ZINC000074378786	EG	Annotated	Anodyne	 
O=C(c1ccc(F)c(Cl)c1)N1C[C@@H]2ON=C(c3ccccc3)[C@H]2C1	ZINC000074379188	EG	Annotated	Anodyne	 
O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3ccccc3)[C@H]2C1	ZINC000074379195	EG	Annotated	Anodyne	 
O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2C(c3ccccc3)=NO[C@H]2C1	ZINC000074379198	EG	Annotated	Anodyne	 
O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3ccccc3)[C@@H]2C1	ZINC000074379201	EG	Annotated	Anodyne	 
Cc1cc(C)nc(N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)n1	ZINC000074379405	EG	Annotated	Anodyne	 
Cc1cc(C)nc(N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)n1	ZINC000074379409	EG	Annotated	Anodyne	 
Cc1ccc(F)c(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)c1F	ZINC000074379458	EG	Annotated	Anodyne	 
Cc1ccc(F)c(C(=O)N2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)c1F	ZINC000074379462	EG	Annotated	Anodyne	 
Cc1ccc(F)c(C(=O)N2C[C@H]3C(c4ccccc4)=NO[C@H]3C2)c1F	ZINC000074379466	EG	Annotated	Anodyne	 
Cc1ccc(F)c(C(=O)N2C[C@@H]3ON=C(c4ccccc4)[C@H]3C2)c1F	ZINC000074379468	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)CCc3ccccc3)C[C@H]12	ZINC000074379533	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]12	ZINC000074379538	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@H]2CN(C(=O)CCc3ccccc3)C[C@@H]12	ZINC000074379542	EG	Annotated	Anodyne	 
Cc1ccccc1C1=NO[C@@H]2CN(C(=O)CCc3ccccc3)C[C@@H]12	ZINC000074379547	EG	Annotated	Anodyne	 
Cc1cccc(Cc2ccc3ncc(-c4ccc(C(N)=O)cc4)n3n2)c1	ZINC000074386091	EG	Annotated	Anodyne	 
CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3ccc(F)c(F)c3)nc12	ZINC000074386217	EG	Annotated	Anodyne	 
CC(C)[C@H](CO)Nc1nccc2[nH]c(-c3ccc(F)c(F)c3)nc12	ZINC000074386618	EG	Annotated	Anodyne	 
COCCCNc1nccc2[nH]c(-c3cccc(OC)c3F)nc12	ZINC000074386735	EG	Annotated	Anodyne	 
COc1ccccc1-c1nc2ccc(/N=C(\O)c3cccnc3)cn2n1	ZINC000074387195	EG	Annotated	Mild	 
O/C(=N\c1ccc2nc(Cc3ccccc3)nn2c1)NCc1ccco1	ZINC000074387221	EG	Annotated	Mild	 
COc1cccc(-c2nc3ccc(/N=C(\O)c4cccnc4)cn3n2)c1	ZINC000074387230	EG	Annotated	Mild	 
COc1cccc(-c2nc3ccc(/N=C(\O)c4ccccn4)cn3n2)c1	ZINC000074387281	EG	Annotated	Mild	 
COc1ccc(-c2ccc3nnc(-c4ccncc4)n3c2)cc1OC	ZINC000074387416	EG	Annotated	Anodyne	 
Cc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccccn3)cn2)cc1	ZINC000074387482	EG	Annotated	Anodyne	 
CCCCNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1	ZINC000074387587	EG	Annotated	Anodyne	 
Cc1cnc(C)c(-c2cnn(C(C)(C)C(=O)NCc3ccccc3)c2)n1	ZINC000074387605	EG	Annotated	Anodyne	 
COc1ccc(-c2cnn(C(C)(C)C(=O)NCC(C)C)c2)cc1OC	ZINC000074387647	EG	Annotated	Anodyne	 
CC(C)(C(=O)NCc1cccs1)n1cc(-c2ccccn2)cn1	ZINC000074387690	EG	Annotated	Anodyne	 
CN(C)c1cccc(Nc2nccn3c(Br)cnc23)c1	ZINC000074387968	EG	Annotated	Anodyne	 
COc1cccc(/C(O)=N/c2nc3ccc(Br)cn3n2)c1	ZINC000074387998	EG	Annotated	Mild	 
O/C(COc1ccccc1)=N\c1nc2cccc(Br)n2n1	ZINC000074388026	EG	Annotated	Mild	 
COc1cccc(C/N=C(\O)CSc2nnc(C)n2C2CC2)c1	ZINC000007617504	EG	Annotated	Mild	 
COc1ccc(/C=C2\COc3ccccc3C2=O)c(OC)c1OC	ZINC000007747088	EG	Annotated	Mild	
COc1ccc2cc([C@H](C)C(=O)NC3CCC(O)CC3)ccc2c1	ZINC000007984778	EG	Annotated	Anodyne	 
COc1ccc2cc([C@@H](C)C(=O)NC3CCC(O)CC3)ccc2c1	ZINC000007984781	EG	Annotated	Anodyne	 
CCCn1c(C)nc2c(NCCCCN(CC)CC)nc(C)nc21	ZINC000007991886	EG	Annotated	Anodyne	 
C/C=C/OC(=O)N[C@H](c1ccccc1)[C@@]1(C(=O)OCC)CCCC1=O	ZINC000007992487	EG	Annotated	Anodyne	 
C/C=C/OC(=O)N[C@@H](c1ccccc1)[C@@]1(C(=O)OCC)CCCC1=O	ZINC000007992488	EG	Annotated	Anodyne	 
CC(C)C[C@]1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1	ZINC000007992726	EG	Annotated	Anodyne	 
CC(C)C[C@@]1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1	ZINC000007992727	EG	Annotated	Anodyne	 
COC(=O)[C@@]1(C)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1	ZINC000007992765	EG	Annotated	Anodyne	 
CC(=O)N1C2(C=C[C@@]1(C)C(=O)NCc1ccc(C)o1)CCCCC2	ZINC000007992789	EG	Annotated	Anodyne	 
CC(=O)N1C2(C=C[C@]1(C)C(=O)NCc1ccc(C)o1)CCCCC2	ZINC000007992790	EG	Annotated	Anodyne	 
COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O)c1	ZINC000007998526	EG	Annotated	Anodyne	 
CCOC(=O)[C@H]1C(=O)C[C@](O)(c2ccccc2)C[C@H]1c1ccccc1	ZINC000007999743	EG	Annotated	Anodyne	
COc1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1	ZINC000075201436	EG	Annotated	Anodyne	 
COc1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1	ZINC000075201437	EG	Annotated	Anodyne	 
COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccccc2F)cc1	ZINC000075402908	EG	Annotated	Anodyne	 
O=C1[C@@H]2CCCN2[C@@H](c2c(F)cccc2Cl)N1c1nccs1	ZINC000075402995	EG	Annotated	Anodyne	 
COc1ccccc1[C@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21	ZINC000075403019	EG	Annotated	Anodyne	 
COc1cc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1	ZINC000077678402	EG	Annotated	Anodyne	 
Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1ccccc1F	ZINC000008042239	EG	Annotated	Anodyne	 
CC(C)C(=O)N1CCC(C/N=C/C2=C(O)CC(C)(C)CC2=O)CC1	ZINC000008310478	EG	Annotated	Mild	 
Cc1ccc(SCCC(=O)NNC(=O)c2ccccc2F)cc1	ZINC000008427851	EG	Annotated	Reactive	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C=C12	ZINC000082051235	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC[C@@H]4CCCO4)[C@H]3C=C12	ZINC000082051237	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@H]4CCCO4)[C@H]3C=C12	ZINC000082051239	EG	Annotated	Anodyne	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNC[C@H]4CCCO4)[C@H]3C=C12	ZINC000082051241	EG	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@H](C)C4)[C@H]3C[C@H]12	ZINC000082051453	EG	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@H](C)O[C@@H](C)C4)[C@H]3C[C@H]12	ZINC000082051454	EG	Annotated	Mild	 
CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)CC1	ZINC000082052037	EG	Annotated	Anodyne	 
CC1CCN(C[C@@H]2C(=O)O[C@@]34[C@H]2CC[C@@H](C)[C@H]3CC[C@@]2(C)O[C@H]24)CC1	ZINC000082052043	EG	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccncc4)[C@H]3C[C@H]12	ZINC000082052835	EG	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccncc4)[C@H]3C[C@H]12	ZINC000082052837	EG	Annotated	Mild	 
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCCCC4)[C@H]3[C@H]3O[C@]132	ZINC000082052949	EG	Annotated	Anodyne	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C[C@@H]12	ZINC000082052981	EG	Annotated	Mild	 
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNC[C@@H]4CCCO4)[C@H]3C[C@H]12	ZINC000082052984	EG	Annotated	Mild	 
Cc1c(C#N)c2nc3nonc3nc2n1-c1cccc(C(F)(F)F)c1	ZINC000082053390	EG	Annotated	Mild	 
Brc1ccccc1-c1nnc2ccc(-n3cccc3)nn12	ZINC000082060502	EG	Annotated	Anodyne	
Brc1cccc(-c2nnc3ccc(-n4cccc4)nn23)c1	ZINC000082060538	EG	Annotated	Anodyne	
Brc1ccc(-c2nnc3ccc(-n4cccc4)nn23)cc1	ZINC000082060585	EG	Annotated	Anodyne	
O=C(O)[C@@H](Nc1nc(Cl)ncc1Br)c1ccccc1	ZINC000082060729	EG	Annotated	Anodyne	
O=C(O)[C@H](Nc1nc(Cl)ncc1Br)c1ccccc1	ZINC000082060750	EG	Annotated	Anodyne	
N#CCNC(=O)[C@@H]1CCCC[C@@H]1CSc1nc2ccccc2o1	ZINC000082064365	EG	Annotated	Mild	
OCCN(Cc1ccccc1)c1cc(Oc2cccc(F)c2)ncn1	ZINC000082067347	EG	Annotated	Anodyne	
OCCN(Cc1ccccc1)c1cc(Oc2ccc(F)cc2)ncn1	ZINC000082067348	EG	Annotated	Anodyne	
OCCN(Cc1ccccc1)c1cc(Oc2ccccc2F)ncn1	ZINC000082067364	EG	Annotated	Anodyne	
CC(=O)Nc1cccc(Oc2cc(NCCc3ccccn3)ncn2)c1	ZINC000082067724	EG	Annotated	Anodyne	
COc1cc(OC)cc(Oc2cc(NCc3cccnc3)ncn2)c1	ZINC000082068280	EG	Annotated	Anodyne	
COc1ccccc1Oc1cncc(NCCCC(C)(C)CO)n1	ZINC000082068512	EG	Annotated	Anodyne	
c1ccc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)cc1	ZINC000082068700	EG	Annotated	Anodyne	
c1coc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1	ZINC000082068745	EG	Annotated	Anodyne	
CCCCNC(=O)c1ccc(CNC(=O)c2csc(CC)n2)cc1	ZINC000082069820	EG	Annotated	Anodyne	
CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)O)C(C)C)cs1	ZINC000082070074	EG	Annotated	Anodyne	
CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)O)C(C)C)cs1	ZINC000082070075	EG	Annotated	Anodyne	
CCc1nc(C(=O)N[C@@H](C)C(=O)OCCC2CCCCC2)cs1	ZINC000082070874	EG	Annotated	Anodyne	
CCc1nc(C(=O)N[C@H](C)C(=O)OCCC2CCCCC2)cs1	ZINC000082070875	EG	Annotated	Anodyne	
CCc1nc(C(=O)N(C)CC(=O)OCCC2CCCCC2)cs1	ZINC000082074065	EG	Annotated	Anodyne	
C/N=c1\[nH]c2cnc(-c3ccc(CO)cc3)cc2n1Cc1ccccc1	ZINC000082078104	EG	Annotated	Anodyne	 
O[C@H](c1ccc2c(c1)OCO2)c1nnc(Nc2ccccc2)s1	ZINC000082078750	EG	Annotated	Anodyne	 
O[C@@H](c1ccc2c(c1)OCO2)c1nnc(Nc2ccccc2)s1	ZINC000082078752	EG	Annotated	Anodyne	 
O[C@@H](c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1	ZINC000082079119	EG	Annotated	Anodyne	 
O[C@H](c1ccc(F)c(Cl)c1)c1nnc(N2CCCCC2)s1	ZINC000082079120	EG	Annotated	Anodyne	 
O=C(O)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1	ZINC000082081719	EG	Annotated	Anodyne	
CCCCNC(=O)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C	ZINC000082082366	EG	Annotated	Anodyne	
CCCCNC(=O)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C	ZINC000082082367	EG	Annotated	Anodyne	
NC(=O)c1ccc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc1	ZINC000082082843	EG	Annotated	Anodyne	 
C/N=c1\[nH]c2cnc(Nc3ccc(SC)cc3)cc2n1CCOC	ZINC000082083065	EG	Annotated	Anodyne	 
C/N=c1\[nH]c2cnc(Nc3ccc(OC)cc3)cc2n1Cc1ccco1	ZINC000082083315	EG	Annotated	Anodyne	 
C/N=c1\[nH]c2cnc(Nc3ccc(F)cc3)cc2n1Cc1ccco1	ZINC000082083410	EG	Annotated	Anodyne	 
C[C@H](/C(O)=N/C1CC1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O	ZINC000082083659	EG	Annotated	Mild	 
COc1cccc(CNC(=O)c2coc(-c3cccs3)n2)c1OC	ZINC000082086269	EG	Annotated	Anodyne	
O=C(NCc1ccco1)c1csc(-c2ccccc2[N+](=O)[O-])n1	ZINC000082086281	EG	Annotated	Bother	
CCC#CCOC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1	ZINC000082086398	EG	Annotated	Mild	
CN(C)C(C)(C)COC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	ZINC000082086424	EG	Annotated	Bother	
CN(C)CCCCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	ZINC000082086425	EG	Annotated	Bother	
CC(=O)O[C@H]1CC[C@H](C)[C@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12	ZINC000082123276	EG	Annotated	Anodyne	 
CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1	ZINC000082132600	EG	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccccc2)n1	ZINC000082133538	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1	ZINC000082134063	EG	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N(C)CC(C)C)c(-c2ccc(F)cc2)n1	ZINC000082139461	EG	Annotated	Anodyne	
CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccc(F)cc2)n1	ZINC000082141023	EG	Annotated	Anodyne	
CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1	ZINC000082141199	EG	Annotated	Anodyne	
CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1	ZINC000082141201	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccc(F)cc1	ZINC000082141360	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1	ZINC000082141566	EG	Annotated	Anodyne	
CC(C)CN(C)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1	ZINC000082141919	EG	Annotated	Anodyne	
CC(C)CN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1	ZINC000082141927	EG	Annotated	Anodyne	
CC1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)CC1	ZINC000082142535	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccco1	ZINC000082142889	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccco1	ZINC000082143098	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccco1	ZINC000082143101	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccco1	ZINC000082143103	EG	Annotated	Anodyne	
CCN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1	ZINC000082143106	EG	Annotated	Anodyne	
CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1cccc(C)c1	ZINC000082146970	EG	Annotated	Anodyne	
CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1cccc(C)c1	ZINC000082146975	EG	Annotated	Anodyne	
O=c1ccc(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)n[nH]1	ZINC000082152222	EG	Annotated	Anodyne	
CC[C@@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F	ZINC000082152230	EG	Annotated	Anodyne	
CC[C@H](C)NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F	ZINC000082152232	EG	Annotated	Anodyne	
O=c1[nH]c2ncc(-c3ccc4[nH]cnc4c3)nc2n1CC1CCCCC1	ZINC000082152532	EG	Annotated	Anodyne	
CC(C)=CC(=O)[C@@H](O)/C(C)=C/CC[C@](C)(O)[C@@H]1CCC(C)=CC1=O	ZINC000082152585	EG	Annotated	Mild	
CC(C)=CC(=O)[C@H](O)/C(C)=C/CC[C@](C)(O)[C@H]1CCC(C)=CC1=O	ZINC000082152588	EG	Annotated	Mild	
CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2ccccc2F)n1	ZINC000082152703	EG	Annotated	Anodyne	
CC[C@@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccccc1F	ZINC000082152818	EG	Annotated	Anodyne	
CC[C@H](C)NC(=O)c1cnc(N(C)CC)nc1-c1ccccc1F	ZINC000082152821	EG	Annotated	Anodyne	
CN(C)Cc1cc(/C=C/c2ccc(O)c(CN(C)C)c2)ccc1O	ZINC000082152935	EG	Annotated	Clean	
CCN(C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1F	ZINC000082153231	EG	Annotated	Anodyne	
CCCCNC(=O)c1cnc(N(C)CC)nc1-c1ccc(C#N)cc1	ZINC000082154469	EG	Annotated	Mild	
Cc1cc(Cl)cc2c([C@H](O)c3ncco3)c3c(C)n[nH]c3nc12	ZINC000082155069	EG	Annotated	Anodyne	
Cc1cc(Cl)cc2c([C@@H](O)c3ncco3)c3c(C)n[nH]c3nc12	ZINC000082155073	EG	Annotated	Anodyne	
CN(Cc1cn(C[C@H](O)c2ccccc2)nn1)CC1CCCCC1	ZINC000082156955	EG	Annotated	Anodyne	
CN(Cc1cn(C[C@@H](O)c2ccccc2)nn1)CC1CCCCC1	ZINC000082156957	EG	Annotated	Anodyne	
CC(C)C(=O)OCc1ccccc1COC(=O)Nc1ccncc1N	ZINC000082157386	EG	Annotated	Anodyne	
C=C[C@]1(C)C=C(C=O)[C@@]2(CC1)OC(=O)[C@H]1C(C)(C)CCC[C@@]12C(=O)O	ZINC000082157942	EG	Annotated	Reactive	
COc1ccc([C@H]2SCC(=O)Nc3ccc4[nH]ncc4c32)cc1	ZINC000082158127	EG	Annotated	Anodyne	
COc1ccc([C@@H]2SCC(=O)Nc3ccc4[nH]ncc4c32)cc1	ZINC000082158128	EG	Annotated	Anodyne	
Cc1c(C#N)c(-c2ccc(C#N)cc2)c(C)n1Cc1cncc(CO)c1	ZINC000082158272	EG	Annotated	Mild	
CC[C@@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1	ZINC000082159601	EG	Annotated	Mild	
CC[C@H](C)Nc1ncc(C(=O)N(C)CC)c(-c2ccc(C#N)cc2)n1	ZINC000082159602	EG	Annotated	Mild	
CCOC(=O)C[C@@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1	ZINC000082160276	EG	Annotated	Anodyne	
CCOC(=O)C[C@H](C)Nc1cc(-c2cc(F)ccc2OC)ncn1	ZINC000082160277	EG	Annotated	Anodyne	
CCOCCCNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1	ZINC000082160354	EG	Annotated	Anodyne	
CCSCCNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1	ZINC000082161585	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H](C)Nc1cc(-c2cccc(C(C)=O)c2)ncn1	ZINC000082161790	EG	Annotated	Anodyne	
CCOC(=O)C[C@H](C)Nc1cc(-c2cccc(C(C)=O)c2)ncn1	ZINC000082161793	EG	Annotated	Anodyne	
CCOC(=O)C[C@@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1	ZINC000082162010	EG	Annotated	Bother	
CCOC(=O)C[C@H](C)Nc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1	ZINC000082162012	EG	Annotated	Bother	
COc1ccc(OC)c(-c2cc(NCCCOC(C)C)ncn2)c1	ZINC000082162260	EG	Annotated	Anodyne	
Cc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2)o1	ZINC000082163034	EG	Annotated	Anodyne	
CCN(C)c1ncc(-c2ncc(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000082163969	EG	Annotated	Bother	
Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccc(F)cc2)o1	ZINC000082164507	EG	Annotated	Anodyne	
COCCNc1ncc(-c2ncc(C)o2)c(-c2ccc(F)cc2)n1	ZINC000082165021	EG	Annotated	Anodyne	
COCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccco2)n1	ZINC000082165353	EG	Annotated	Anodyne	
CCc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccco2)s1	ZINC000082165761	EG	Annotated	Anodyne	
Cc1nc(-c2cnc(N3CCOCC3)nc2-c2ccco2)sc1C	ZINC000082165764	EG	Annotated	Anodyne	
CCc1cnc(-c2cnc(NCCOC)nc2-c2ccco2)s1	ZINC000082166294	EG	Annotated	Anodyne	
CCN(C)c1ncc(-c2ncc(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000082174920	EG	Annotated	Bother	
Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2F)o1	ZINC000082175648	EG	Annotated	Anodyne	
COCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2F)n1	ZINC000082176099	EG	Annotated	Anodyne	
Cc1cnc(-c2cnc(N3CCOCC3)nc2-c2ccccc2C)o1	ZINC000082177413	EG	Annotated	Anodyne	
COCCn1c(-c2ccsc2)nc2c(NCC(C)C)ncnc21	ZINC000082177962	EG	Annotated	Anodyne	
COCCn1c(-c2cccs2)nc2c(NCC(C)C)ncnc21	ZINC000082178033	EG	Annotated	Anodyne	
CCCc1nc2c(NCC(C)C)ncnc2n1CCN1CCCCC1	ZINC000082178141	EG	Annotated	Anodyne	
CCCc1nc2c(NCC(C)C)ncnc2n1CCc1ccccn1	ZINC000082178145	EG	Annotated	Anodyne	
CCCc1nc2c(NCC(C)C)ncnc2n1CC[C@@H]1CCCN1C	ZINC000082178148	EG	Annotated	Anodyne	
CCCc1nc2c(NCC(C)C)ncnc2n1CC[C@H]1CCCN1C	ZINC000082178149	EG	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1	ZINC000082178173	EG	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C1CC1)n2CCc1ccccn1	ZINC000082178177	EG	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C1CC1)n2CC[C@@H]1CCCN1C	ZINC000082178180	EG	Annotated	Anodyne	
CC(C)CNc1ncnc2c1nc(C1CC1)n2CC[C@H]1CCCN1C	ZINC000082178181	EG	Annotated	Anodyne	
COCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21	ZINC000082178400	EG	Annotated	Anodyne	
CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCOC	ZINC000082179363	EG	Annotated	Anodyne	
COCCn1c(C2CC2)nc2c(NCc3ccc(C)cc3)ncnc21	ZINC000082179391	EG	Annotated	Anodyne	
CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCOC	ZINC000082180472	EG	Annotated	Anodyne	
COCCn1c(C2CC2)nc2c(NCc3ccccc3C)ncnc21	ZINC000082180520	EG	Annotated	Anodyne	
COCCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21	ZINC000082180648	EG	Annotated	Anodyne	
CC1(C)C[C@H](NCCc2ccccc2F)c2cc(C(N)=O)ccc2O1	ZINC000082184723	EG	Annotated	Anodyne	
CC1(C)C[C@@H](NCCc2ccccc2F)c2cc(C(N)=O)ccc2O1	ZINC000082184726	EG	Annotated	Anodyne	
COCCn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21	ZINC000082186037	EG	Annotated	Anodyne	
CN1CCC[C@@H]1CCn1c(C2CC2)nc2c(NCC3CC3)ncnc21	ZINC000082186283	EG	Annotated	Anodyne	
CN1CCC[C@H]1CCn1c(C2CC2)nc2c(NCC3CC3)ncnc21	ZINC000082186285	EG	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCOC	ZINC000082186291	EG	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCOC	ZINC000082186408	EG	Annotated	Anodyne	
CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1	ZINC000082192343	EG	Annotated	Anodyne	
Cc1cnc(N(C)CCN(C)C)nc1Nc1ccc2c(c1)CCC2	ZINC000082202318	EG	Annotated	Anodyne	
Cc1cnc(N2CCSCC2)nc1NCCc1ccc(F)cc1	ZINC000082202358	EG	Annotated	Anodyne	
Cc1cnc(N2CCSCC2)nc1NCCc1cccc(F)c1	ZINC000082202359	EG	Annotated	Anodyne	
Cc1cnc(N2CCCN(C)CC2)nc1Nc1ccc2c(c1)CCC2	ZINC000082202370	EG	Annotated	Anodyne	
Cc1cnc(N2CCCN(C)CC2)nc1N[C@@H](C)c1ccc(F)cc1	ZINC000082202383	EG	Annotated	Anodyne	
Cc1cnc(N2CCCN(C)CC2)nc1N[C@H](C)c1ccc(F)cc1	ZINC000082202384	EG	Annotated	Anodyne	
CCN1CCN(c2ncc(C)c(Nc3ccc4c(c3)CCC4)n2)CC1	ZINC000082202390	EG	Annotated	Anodyne	
CCOc1ccc(CCNc2nc(N3CCCC3)ncc2C)cc1	ZINC000082202440	EG	Annotated	Anodyne	
COc1ccc(CCNc2nc(N3CCC[C@@H]3C)ncc2C)cc1	ZINC000082202463	EG	Annotated	Anodyne	
COc1ccc(CCNc2nc(N3CCC[C@H]3C)ncc2C)cc1	ZINC000082202465	EG	Annotated	Anodyne	
Cc1cnc(N2CCN(C)CC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1	ZINC000082202527	EG	Annotated	Anodyne	
Cc1cnc(N2CCN(C)CC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1	ZINC000082202529	EG	Annotated	Anodyne	
Cc1cnc(N2CCN(C)CC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	ZINC000082202531	EG	Annotated	Anodyne	
Cc1cnc(N2CCN(C)CC2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1	ZINC000082202534	EG	Annotated	Anodyne	
Cc1cnc(N(C)CCN(C)C)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1	ZINC000082202565	EG	Annotated	Anodyne	
Cc1cnc(N(C)CCN(C)C)nc1N[C@H]1C[C@H](C)CC(C)(C)C1	ZINC000082202567	EG	Annotated	Anodyne	
Cc1cnc(N(C)CCN(C)C)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1	ZINC000082202568	EG	Annotated	Anodyne	
Cc1cnc(N(C)CCN(C)C)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1	ZINC000082202569	EG	Annotated	Anodyne	
COC[C@H](Cc1ccccc1)Nc1nc(N2CCCC2)ncc1C	ZINC000082202707	EG	Annotated	Anodyne	
COc1cccc(CNc2nc(N3CCC[C@@H]3C)ncc2C)c1OC	ZINC000082202711	EG	Annotated	Anodyne	
COc1cccc(CNc2nc(N3CCC[C@H]3C)ncc2C)c1OC	ZINC000082202714	EG	Annotated	Anodyne	
COc1cc(CNc2nc(N3CCC[C@@H]3C)ncc2C)cc(OC)c1	ZINC000082202715	EG	Annotated	Anodyne	
COc1cc(CNc2nc(N3CCC[C@H]3C)ncc2C)cc(OC)c1	ZINC000082202716	EG	Annotated	Anodyne	
COC[C@H](Cc1ccccc1)Nc1nc(N2CCC[C@@H]2C)ncc1C	ZINC000082202745	EG	Annotated	Anodyne	
COC[C@H](Cc1ccccc1)Nc1nc(N2CCC[C@H]2C)ncc1C	ZINC000082202746	EG	Annotated	Anodyne	
Cc1cnc(N2CCC[C@@H]2C)nc1NCc1ccc(N(C)C)cc1	ZINC000082202749	EG	Annotated	Clean	
Cc1cnc(N2CCC[C@H]2C)nc1NCc1ccc(N(C)C)cc1	ZINC000082202751	EG	Annotated	Clean	
Cc1cnc(N2CCSCC2)nc1NCc1ccc(N(C)C)cc1	ZINC000082202834	EG	Annotated	Clean	
CCC(CC)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C	ZINC000082203074	EG	Annotated	Anodyne	
CCC[C@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C	ZINC000082203323	EG	Annotated	Anodyne	
Cc1ccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1	ZINC000082203434	EG	Annotated	Anodyne	
Cc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1	ZINC000082203436	EG	Annotated	Anodyne	
Cc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1	ZINC000082203439	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1ccccc1F	ZINC000082203441	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1ccccc1F	ZINC000082203443	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1cccc(F)c1	ZINC000082203445	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1cccc(F)c1	ZINC000082203447	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1cccc(F)c1	ZINC000082203449	EG	Annotated	Anodyne	
COc1ccccc1CNc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C	ZINC000082203638	EG	Annotated	Anodyne	
COc1ccccc1CNc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C	ZINC000082203640	EG	Annotated	Anodyne	
COc1ccccc1CNc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C	ZINC000082203643	EG	Annotated	Anodyne	
COc1ccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc1	ZINC000082203645	EG	Annotated	Anodyne	
COc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc1	ZINC000082203646	EG	Annotated	Anodyne	
COc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc1	ZINC000082203649	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCc1ccc(F)cc1	ZINC000082203663	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCc1ccc(F)cc1	ZINC000082203666	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCc1ccc(F)cc1	ZINC000082203667	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCc1cccc(F)c1	ZINC000082203669	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCc1cccc(F)c1	ZINC000082203671	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCc1cccc(F)c1	ZINC000082203673	EG	Annotated	Anodyne	
CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	ZINC000082205841	EG	Annotated	Anodyne	
CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	ZINC000082205844	EG	Annotated	Anodyne	
CCC(CC)CNc1c2n(c(=O)n(C(C)C)c1=O)[C@@H]1CCCC[C@H]1N2	ZINC000082205888	EG	Annotated	Anodyne	
CC(C)n1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2	ZINC000082205892	EG	Annotated	Anodyne	
CC(C)[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(C(C)C)c2=O)N1	ZINC000082206528	EG	Annotated	Anodyne	
CC(C)[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(C(C)C)c2=O)N1	ZINC000082206530	EG	Annotated	Anodyne	
CC(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](C)CN2	ZINC000082211824	EG	Annotated	Anodyne	
CC(C)CCNc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](C)CN2	ZINC000082211827	EG	Annotated	Anodyne	
CCC[C@@H](C)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C	ZINC000082212886	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1ccc(F)cc1	ZINC000082212887	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1ccccc1F	ZINC000082212888	EG	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(C1CC1)n2C[C@@H]1CCCO1	ZINC000082222753	EG	Annotated	Anodyne	
CCCCCNc1ncnc2c1nc(C1CC1)n2C[C@H]1CCCO1	ZINC000082222754	EG	Annotated	Anodyne	
Cc1cccc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)c1	ZINC000082223983	EG	Annotated	Anodyne	
Cc1cccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)c1	ZINC000082223985	EG	Annotated	Anodyne	
Cc1cccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)c1	ZINC000082223986	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1ccc(F)cc1	ZINC000082223993	EG	Annotated	Anodyne	
Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1ccc(F)cc1	ZINC000082223994	EG	Annotated	Anodyne	
C[C@H]1CN(Cc2cn3c(-c4ccccc4)nnc3s2)C[C@@H](C)O1	ZINC000082230267	EG	Annotated	Anodyne	 
C[C@H]1CN(Cc2cn3c(-c4ccccc4)nnc3s2)C[C@H](C)O1	ZINC000082230268	EG	Annotated	Anodyne	 
C[C@@H]1CN(Cc2cn3c(-c4ccccc4)nnc3s2)C[C@@H](C)O1	ZINC000082230269	EG	Annotated	Anodyne	 
O=[N+]([O-])c1ccc([C@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1	ZINC000082230761	EG	Annotated	Bother	 
O=[N+]([O-])c1ccc([C@@H]2NCc3ccc4c(c3-n3cccc32)OCO4)cc1	ZINC000082230762	EG	Annotated	Bother	 
C[C@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1	ZINC000082231646	EG	Annotated	Anodyne	
C[C@H]1C[C@H](C)CN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1	ZINC000082231647	EG	Annotated	Anodyne	
C[C@@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1	ZINC000082231648	EG	Annotated	Anodyne	
CC[C@@H](C)c1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O	ZINC000082231694	EG	Annotated	Anodyne	
CC[C@H](C)c1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O	ZINC000082231695	EG	Annotated	Anodyne	
CC(C)Cc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O	ZINC000082231708	EG	Annotated	Anodyne	
CCCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O	ZINC000082231729	EG	Annotated	Anodyne	
Cc1cc(C)n2c(CNCc3ccc(OC(F)F)cc3)cnc2n1	ZINC000084105373	EG	Annotated	Anodyne	 
COc1ccc([C@H]2Cc3cc(CCCO)cc(OC)c3O2)cc1OC	ZINC000084154134	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1C(=O)c2ccc3c(c2[C@](O)(c2ccc4c(c2)OCO4)[C@H]1C)CO3	ZINC000084154419	EG	Annotated	Anodyne	in-vitro biogenic
C[C@H]1[C@H](C)Cc2ccc3c(c2[C@]1(O)c1ccc2c(c1)OCO2)OCO3	ZINC000084154427	EG	Annotated	Anodyne	in-vitro biogenic
O=C1CCCC(O)=C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000084367273	EG	Annotated	Mild	
C=C[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1	ZINC000084402312	EG	Annotated	Mild	
O=C(O)c1cn2c(n1)N=[S@@](=O)(c1ccccc1)c1ccccc1-2	ZINC000084428708	EG	Annotated	Anodyne	
O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2CCSc3cccc1c32	ZINC000084462584	EG	Annotated	Anodyne	
CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@]12CCCCC2=O	ZINC000084540950	EG	Annotated	Anodyne	 
CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@]12CCCCC2=O	ZINC000084540951	EG	Annotated	Anodyne	 
CC(C)c1cccc2c1NC(=O)[C@]21N(C)CC[C@@]12CCCCC2=O	ZINC000084540952	EG	Annotated	Anodyne	
CC(C)c1cccc2c1NC(=O)[C@@]21N(C)CC[C@@]12CCCCC2=O	ZINC000084540953	EG	Annotated	Anodyne	
O=C1NCC2(CCCCC2)c2sc(-c3ncnc4nc[nH]c34)cc21	ZINC000084587989	EG	Annotated	Anodyne	
Cc1nc2c(N(C)C)cccc2n1-c1ccc(C(=O)NC2CC2)s1	ZINC000084597087	EG	Annotated	Anodyne	
COc1cccc2c1nc(C)n2-c1ccc(C(=O)NC2CC2)s1	ZINC000084602243	EG	Annotated	Anodyne	
CN(C)c1nc2ccccc2n1-c1ccc(C(=O)NC2CC2)s1	ZINC000084602805	EG	Annotated	Anodyne	
Cc1nn(-c2ccc3c(N)ncnc3c2F)c2c1C(=O)CC(C)(C)C2	ZINC000084602988	EG	Annotated	Anodyne	
N#Cc1cc(C#N)c2nc(O)c3c(-c4ccccc4)csc3n2c1=N	ZINC000084603972	EG	Annotated	Mild	
CNCCN1CCCCc2cc(/N=C(\N)c3cccs3)ccc21	ZINC000084605007	EG	Annotated	Mild	
CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(S(C)(=O)=O)c2)C1	ZINC000084605184	EG	Annotated	Anodyne	
N#Cc1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cn[nH]c1N	ZINC000084616036	EG	Annotated	Mild	
CCOC(=O)CN/C(S)=N/C(=N/c1ccccc1)c1ccccc1	ZINC000084616052	EG	Annotated	Mild	
O=[N+]([O-])c1ccc(/C=N/NC(=S)N2CCCCCCC2)s1	ZINC000084616292	EG	Annotated	Mild	
CCOC(=O)c1c[nH]c2ccn3cc(-c4ccccc4)nc3c2c1=O	ZINC000084617867	EG	Annotated	Anodyne	
CCOC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1C#CC(C)(C)O	ZINC000084618848	EG	Annotated	Mild	
c1cc(-c2ncn[nH]2)c2nc(N3CCOCC3)c3ccsc3c2c1	ZINC000084619535	EG	Annotated	Anodyne	
O=C(NN1C(=O)CCS[C@@H]1c1ccccc1Cl)c1ccncc1	ZINC000084631970	EG	Annotated	Anodyne	
O=C(NN1C(=O)CCS[C@H]1c1ccccc1Cl)c1ccncc1	ZINC000084631972	EG	Annotated	Anodyne	
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3O	ZINC000084632282	EG	Annotated	Mild	 
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(F)c3)OC2=S)cc1	ZINC000084635017	EG	Annotated	Anodyne	
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c3ccccc3sc2c1	ZINC000084635759	EG	Annotated	Bother	
CC[C@@]12CCCN3CC[C@]4(c5cccc(O)c5N(C(C)=O)[C@@H]4CC1)[C@H]32	ZINC000084651908	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1	ZINC000084652038	EG	Annotated	Anodyne	
C[C@H]1CCC[C@@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1	ZINC000084652039	EG	Annotated	Anodyne	
C[C@@H]1CCC[C@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1	ZINC000084652040	EG	Annotated	Anodyne	
C[C@H]1CCC[C@H]1N1CC[C@H](NC(=O)c2ccc3ncsc3c2)C1	ZINC000084652041	EG	Annotated	Anodyne	
COC(=O)CCSC/C=C(\C)CCn1cc(CCC(C)C)nn1	ZINC000084652055	EG	Annotated	Anodyne	
Cc1c(-c2ccc(OC3CCOCC3)cc2)[nH]c2ncccc2c1=O	ZINC000084653002	EG	Annotated	Anodyne	
N#CC1=C(N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000084654632	EG	Annotated	Reactive	
N#CC1=C(N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000084654634	EG	Annotated	Reactive	
CCC[C@@H]1C[C@H]2OC(=O)c3c(cc4cc(OC)cc(O)c4c3O)[C@H]2O1	ZINC000084655321	EG	Annotated	Anodyne	
CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@@H]1C	ZINC000084655417	EG	Annotated	Anodyne	
CCOC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@H]1C	ZINC000084655419	EG	Annotated	Anodyne	
O=C1C[C@H](O)Oc2cccc(OCc3ccc(Br)cc3)c21	ZINC000084668982	EG	Annotated	Anodyne	
O=C1C[C@@H](O)Oc2cccc(OCc3ccc(Br)cc3)c21	ZINC000084668983	EG	Annotated	Anodyne	
CCN(CC)C(=O)C[S@@](=O)C1c2ccccc2-c2ccccc21	ZINC000084670276	EG	Annotated	Anodyne	
CCN(CC)C(=O)C[S@](=O)C1c2ccccc2-c2ccccc21	ZINC000084670277	EG	Annotated	Anodyne	
O=C1CN(CCCCCN2CCCCC2)c2ccc([N+](=O)[O-])cc2N1	ZINC000084670745	EG	Annotated	Bother	
Nc1scc2c(-c3ccccc3)nn(CC(F)(F)F)c(=O)c12	ZINC000084671618	EG	Annotated	Anodyne	
Cc1noc(C)c1CC(=O)NCc1ccc(C(F)(F)F)c(F)c1	ZINC000084671774	EG	Annotated	Anodyne	
Brc1ccc(Oc2nc3ccsc3c3nnnn23)cc1	ZINC000084672074	EG	Annotated	Anodyne	
Cc1[nH]c2ncccc2c1[C@H]1CCN(C(=O)C2(c3ccccn3)CC2)C1	ZINC000084687128	EG	Annotated	Anodyne	
O=S(=O)(NCCF)c1cc(-c2nc3ccccc3s2)cs1	ZINC000084687199	EG	Annotated	Anodyne	
CN1CCC(Cn2c(N)nc3ccc(C(=O)c4ccccc4)cc32)CC1	ZINC000084687258	EG	Annotated	Anodyne	
Cn1c(=O)c2sc3ccccc3c2c2cc(C3=NCCN3)ccc21	ZINC000084687849	EG	Annotated	Bother	
c1cc(Oc2ccnc(N3CCC4(CCNC4)CC3)n2)c2cc[nH]c2c1	ZINC000084687996	EG	Annotated	Anodyne	
Cn1c(=O)c2sc3sccc3c2c2cc(C3=NCCN3)ccc21	ZINC000084688181	EG	Annotated	Bother	
COc1ccc(C)c2sc(NS(=O)(=O)c3cc(C)ccn3)nc12	ZINC000084688660	EG	Annotated	Anodyne	
CC1(C)CCc2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)O1	ZINC000084689612	EG	Annotated	Clean	
Cn1c2c(c3ccccc31)/C(=N/OCc1ccccc1)CCNC2=O	ZINC000084690008	EG	Annotated	Mild	
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccc[nH]1	ZINC000084690033	EG	Annotated	Reactive	
C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccc[nH]1	ZINC000084690034	EG	Annotated	Reactive	
[O-][n+]1nn(Cc2ccccc2)c(C(=S)Nc2ccccc2)c1Cl	ZINC000084690731	EG	Annotated	Anodyne	
CC(C)[C@H]1C(=O)CC2=C(O)C3=C(CO)[C@@H](O)CC[C@@]3(C)CC[C@@]21C	ZINC000084690774	EG	Annotated	Anodyne	
C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCCCC3)[C@@H]2CC1	ZINC000084690818	EG	Annotated	Anodyne	
Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3ccc(C)o3)n2c1	ZINC000084703906	EG	Annotated	Anodyne	
C=C[C@]1(C)C[C@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O	ZINC000084706344	EG	Annotated	Mild	
C=C[C@]1(C)C[C@@H]2C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@H]1O	ZINC000084706347	EG	Annotated	Mild	
Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCc1ccccn1	ZINC000084706433	EG	Annotated	Anodyne	
NCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12	ZINC000084706601	EG	Annotated	Bother	
Nc1nc2ccc(C(=O)c3ccccc3)cc2n1CCC1CCNCC1	ZINC000084707301	EG	Annotated	Anodyne	
O=C(NC[C@@H]1CC2CCN1CC2)Oc1ccc(Br)cc1	ZINC000084709317	EG	Annotated	Anodyne	
O=C(NC[C@H]1CC2CCN1CC2)Oc1ccc(Br)cc1	ZINC000084709320	EG	Annotated	Anodyne	
CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1C	ZINC000084710168	EG	Annotated	Anodyne	
O=C(O)c1cn(CCO)c2ccc(-c3cc4ccccc4o3)cc2c1=O	ZINC000084710571	EG	Annotated	Anodyne	
CC(C)N1CCC[C@@H]1CNC(=O)Oc1ccc(Br)cc1	ZINC000084710831	EG	Annotated	Anodyne	
CCC#CCN1CCC[C@H]1COC(=O)c1ccc2ncsc2c1	ZINC000084710832	EG	Annotated	Mild	
C/C(=C\CSCCC(=O)O)CCn1cc(CCC(C)C)nn1	ZINC000084712470	EG	Annotated	Anodyne	
CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccs2)c1	ZINC000084712787	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc(/C(C)=N/O)cc3[nH]2)c(OC)c1OC	ZINC000084712832	EG	Annotated	Mild	
N#CC1=C(N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000084713433	EG	Annotated	Reactive	
N#CC1=C(N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000084713435	EG	Annotated	Reactive	
O=C(NCC1=CC2CCN1CC2)Oc1ccc(Br)cc1	ZINC000084713535	EG	Annotated	Anodyne	
O=C(O)c1cn(CCO)c2cc(-c3cc4ccccc4o3)ccc2c1=O	ZINC000084713780	EG	Annotated	Anodyne	
C/C(=C\CSCCC(=O)O)CCn1cc(Cc2ccccc2)nn1	ZINC000084714785	EG	Annotated	Anodyne	
CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1	ZINC000084722742	EG	Annotated	Anodyne	
CCOC(=O)CC(=O)c1cccc2sc(Br)nc12	ZINC000084724440	EG	Annotated	Anodyne	
COc1cccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c32)c1	ZINC000084725376	EG	Annotated	Anodyne	
CCOC(=O)c1cnc2ccc([C@@H](C)O)cc2c1SCCC#N	ZINC000084726019	EG	Annotated	Mild	
CCOC(=O)c1cnc2ccc([C@H](C)O)cc2c1SCCC#N	ZINC000084726020	EG	Annotated	Mild	
CC1(C)OC(=O)c2c1ccn(Cc1cccc(C(F)(F)F)c1)c2=O	ZINC000084727052	EG	Annotated	Anodyne	
Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Cl)cc2)n1	ZINC000084728124	EG	Annotated	Anodyne	
Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CC(=O)NC3)cc1	ZINC000084729725	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc([C@H](C)O)cc3[nH]2)c(OC)c1OC	ZINC000084729993	EG	Annotated	Anodyne	
COc1ccc(-c2nc3ccc([C@@H](C)O)cc3[nH]2)c(OC)c1OC	ZINC000084729996	EG	Annotated	Anodyne	
Cc1n[nH]c(=O)c2c1c1cc(F)ccc1n2Cc1ccc(C#N)cc1	ZINC000084732218	EG	Annotated	Mild	
C/C(=C\CSCCC(=O)O)CCn1cc(-c2ccccc2)nn1	ZINC000084733691	EG	Annotated	Anodyne	
Fc1cccc(-c2nc(NC[C@H]3COc4ccccc4O3)no2)c1F	ZINC000084738897	EG	Annotated	Anodyne	
Fc1cccc(-c2nc(NC[C@@H]3COc4ccccc4O3)no2)c1F	ZINC000084738900	EG	Annotated	Anodyne	
COc1ccc(N2C(=O)CN(Cc3ccccc3)C2=S)cc1Cl	ZINC000084740562	EG	Annotated	Anodyne	
CCn1c2c(c3ccccc31)C(=O)c1c[n+]([O-])c3ccccc3c1C2=O	ZINC000084757561	EG	Annotated	Clean	
COc1ccc(-c2ccn(CCC(C)C)c(=O)c2C#N)cc1OC	ZINC000084758231	EG	Annotated	Mild	
CCOc1ccccc1[C@@H]1N(c2nccs2)C(=O)[C@@H]2CCCN21	ZINC000008548260	EG	Annotated	Anodyne	 
COc1ccccc1[C@@H]1N(c2ccc(F)cc2)C(=O)[C@@H]2CCCN21	ZINC000008548264	EG	Annotated	Anodyne	 
CC(C)(C)n1nc2c(c1NC(=O)CCC1CCCC1)C[S@@](=O)C2	ZINC000008553309	EG	Annotated	Anodyne	 
N#Cc1c(O)nc(N2CCc3ccccc3C2)nc1-c1ccc(F)cc1	ZINC000008553835	EG	Annotated	Mild	
Cc1cc(C(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)[nH]n1	ZINC000008556262	EG	Annotated	Reactive	 
Cc1ccc([C@H]2c3c(O)nc(S)nc3N=C3CCCC(=O)[C@H]32)cc1	ZINC000008578618	EG	Annotated	Anodyne	
Cn1c(SCc2cc(=O)[nH]c3ccccc23)nnc1-c1ccco1	ZINC000008578810	EG	Annotated	Anodyne	 
CCN1CCC[C@H]1Cn1cnc2c3c(Cl)cccc3nc-2c1O	ZINC000008579732	EG	Annotated	Anodyne	 
CCN1CCC[C@H]1Cn1cnc2c3cc(Cl)ccc3nc-2c1O	ZINC000008580008	EG	Annotated	Anodyne	 
COc1ccc(S(=O)(=O)O/N=C2/CCCc3ccccc32)cc1	ZINC000008580372	EG	Annotated	Mild	 
Cc1cccc(/C=N\NC(=O)[C@@H](C)Nc2cccc3ccccc23)n1	ZINC000008581722	EG	Annotated	Reactive	 
Cc1cccc(/C=N\NC(=O)[C@H](C)Nc2cccc3ccccc23)n1	ZINC000008581723	EG	Annotated	Reactive	 
CC[C@H]1CCCN1Cn1cnc2c3cc(OC)ccc3nc-2c1O	ZINC000008584079	EG	Annotated	Anodyne	 
CC[C@@H]1CCCN1Cn1cnc2c3cc(OC)ccc3nc-2c1O	ZINC000008584080	EG	Annotated	Anodyne	 
COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@H](O)C2=O	ZINC000008585529	EG	Annotated	Anodyne	 
Cc1cc(-c2nc3c4c5c(sc4nc(O)n3n2)CCC5)c(C)o1	ZINC000008586371	EG	Annotated	Anodyne	 
CCCO[C@@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000008590475	EG	Annotated	Anodyne	 
CCCO[C@]1(C(F)(F)F)NC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000008590477	EG	Annotated	Anodyne	 
CC(C)NC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21	ZINC000008595202	EG	Annotated	Anodyne	 
CCCNC(=O)CCC(=O)N1Cc2ccccc2Oc2ncccc21	ZINC000008598957	EG	Annotated	Anodyne	 
CCN1CCC[C@@H]1Cn1cnc2c3cc(Cl)ccc3nc-2c1O	ZINC000008606881	EG	Annotated	Anodyne	 
CCOc1ccc(NC(=O)N(C)CCc2c(C)nn(C)c2C)cc1	ZINC000008609033	EG	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc[nH]2)n2ncnc2N1	ZINC000008609840	EG	Annotated	Anodyne	 
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc[nH]2)n2ncnc2N1	ZINC000008609841	EG	Annotated	Anodyne	 
Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)nc2n3CCOC2)c1	ZINC000008611890	EG	Annotated	Anodyne	 
COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@H]2O)c1	ZINC000008627010	EG	Annotated	Anodyne	 
O=C(O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)nc2O)c1	ZINC000008661397	EG	Annotated	Anodyne	 
CCCCN1C(=O)CN(C2CCCC2)C(=O)[C@H]1c1ccc(F)cc1	ZINC000008661983	EG	Annotated	Anodyne	 
CCCCN1C(=O)CN(C2CCCC2)C(=O)[C@@H]1c1ccc(F)cc1	ZINC000008661984	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@@H]1CC(c2c(Cl)cccc2Cl)=NO1	ZINC000008665973	EG	Annotated	Anodyne	 
O=C(NCc1ccco1)[C@H]1CC(c2c(Cl)cccc2Cl)=NO1	ZINC000008665974	EG	Annotated	Anodyne	 
C=CCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O	ZINC000008672364	EG	Annotated	Mild	 
C=CCNC(=O)c1onc(CSc2ccccc2CC)c1C(=O)O	ZINC000008672365	EG	Annotated	Mild	 
C=CCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)O	ZINC000008672368	EG	Annotated	Mild	 
Cc1ccc(C)c(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1	ZINC000008672372	EG	Annotated	Anodyne	 
C=CCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O	ZINC000008672378	EG	Annotated	Mild	 
Cc1ccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)cc1C	ZINC000008672389	EG	Annotated	Anodyne	 
Cc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1	ZINC000008672393	EG	Annotated	Anodyne	 
Cc1cc(C)cc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1	ZINC000008672399	EG	Annotated	Anodyne	 
Cc1ccccc1SCc1noc(C(=O)NC(C)C)c1C(=O)O	ZINC000008672404	EG	Annotated	Anodyne	 
COC(=O)C[C@H]1Oc2cc3oc4c(c3cc2O1)C(=O)CC(C)(C)C4	ZINC000008679925	EG	Annotated	Anodyne	
Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc(Br)o2)cc1	ZINC000008680264	EG	Annotated	Mild	 
CC1=C2[C@H](O)C(=O)O[C@@H]3C[C@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@H](CC1)[C@@]23C	ZINC000008681294	EG	Annotated	Mild	 
CC1=C2[C@@H](O)[C@H]([C@@H](C)C(=O)NCCC(C)C)CC[C@@]2(C)C=CC1=O	ZINC000008682261	EG	Annotated	Mild	
COCC/N=C(\S)N/N=C(\C)c1ccc2cc(OC)ccc2c1	ZINC000008691223	EG	Annotated	Mild	 
CCCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O	ZINC000008691322	EG	Annotated	Anodyne	 
Cc1ccc([C@@H]2c3c(O)nc(S)nc3N=C3CCCC(=O)[C@H]32)cc1	ZINC000008762833	EG	Annotated	Anodyne	
C=CCOc1c2ccc(C(=O)NCc3ccc(C)cc3)cc2nn1C	ZINC000008762933	EG	Annotated	Mild	 
CCCCn1nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1OCC	ZINC000008801874	EG	Annotated	Anodyne	 
C=CCOc1c2ccc(C(=O)NCCc3ccc(C)cc3)cc2nn1C	ZINC000008801889	EG	Annotated	Mild	 
C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@@H]3O2	ZINC000008829475	EG	Annotated	Anodyne	 
O=c1cc(O)oc2c3c(n(-c4ccccc4)c(=O)c12)CCCCCC3	ZINC000008855144	EG	Annotated	Anodyne	
CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1	ZINC000008860632	EG	Annotated	Mild	 
CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1	ZINC000008860633	EG	Annotated	Mild	 
COCCCNCc1c(C(=O)O)c(C)n(Cc2ccccc2F)c1C	ZINC000008932463	EG	Annotated	Anodyne	 
COc1ccccc1C1(CNCc2ccc([S@](C)=O)cc2)CC1	ZINC000085308228	EG	Annotated	Anodyne	 
COc1ccccc1C1(CNCc2ccc([S@@](C)=O)cc2)CC1	ZINC000085308231	EG	Annotated	Anodyne	 
Cc1occc1CNC(=O)N(CCCO)[C@@H]1CCc2ccccc21	ZINC000085394354	EG	Annotated	Anodyne	 
Cc1occc1CNC(=O)N(CCCO)[C@H]1CCc2ccccc21	ZINC000085394356	EG	Annotated	Anodyne	 
Cc1cnc(CNC(=O)N(CCCO)[C@@H]2CCc3ccccc32)s1	ZINC000085408769	EG	Annotated	Anodyne	 
Cc1cnc(CNC(=O)N(CCCO)[C@H]2CCc3ccccc32)s1	ZINC000085408772	EG	Annotated	Anodyne	 
C/C=C1/[C@@H]2CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@@H]13	ZINC000085488166	EG	Annotated	Anodyne	in-vitro biogenic
CO[C@H]1C=C[C@@]23O[C@@H]2C[C@H]2CCCc4cc5c(cc4[C@@]23C1)OCO5	ZINC000085491198	EG	Annotated	Anodyne	in-vitro biogenic
C[C@H](C=O)CCCCCCCCCC/C(=C/C(=O)O)CN=C(N)N	ZINC000085510449	EG	Annotated	Mild	in-vitro biogenic
CC1(C)C=Cc2cc3c(cc2O1)C[C@@H]1c2ccc(O)cc2OC[C@]31O	ZINC000085510542	EG	Annotated	Anodyne	in-vitro biogenic
COc1ccc2c(c1O)OC[C@H]1c3ccc(OC)c(OC)c3C[C@@H]21	ZINC000085529916	EG	Annotated	Anodyne	in-vitro biogenic
COC1=C[C@@H]2[C@H](C=C1OC)CCCN1CCC3=CC[C@H](OC)C[C@]321	ZINC000085530716	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N	ZINC000085532074	EG	Annotated	Clean	in-vitro biogenic
C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3ccccc3)([C@H]2OC)C1(C)C	ZINC000085546409	EG	Annotated	Mild	in-vitro biogenic
CN[C@@H]1CC[C@@]23C[C@]4(CCC[C@@H]14)[C@@H]2[C@@H](O)C[C@]1(C)CCC[C@@]3(O)C1	ZINC000085547468	EG	Annotated	Anodyne	in-vitro biogenic
CN[C@@H]1CC[C@@]23[C@@H](O)C[C@]4(C)CCC[C@@](O)(C4)[C@@H]2C[C@@]32CCC[C@@H]12	ZINC000085547476	EG	Annotated	Anodyne	in-vitro biogenic
C[C@]12C[C@@H]3C=C[C@H]1[C@@H](O)[C@]1(CO)[C@@H](CC14CCCCC4)[C@@](O)(C3)C2	ZINC000085547550	EG	Annotated	Anodyne	in-vitro biogenic
C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H](CCC2(O)CCCC2)[C@@]2(O)CN12	ZINC000085547851	EG	Annotated	Anodyne	in-vitro biogenic
CCNC[C@H]1C[C@H]([C@@H](c2ccc(C=O)cc2)C2CCCC2)N2C[C@@H]12	ZINC000085547916	EG	Annotated	Anodyne	in-vitro biogenic
CC1(C)[C@@H]2CC[C@H]3CC=C[C@H]4C(=O)C(CCCCN=C(N)N)=C(C2)[C@@]341	ZINC000085549655	EG	Annotated	Mild	in-vitro biogenic
CCCCC[C@@H]1CCCCC[C@@H]2CC(=O)[C@](O)(CCC(=O)O1)O2	ZINC000085550662	EG	Annotated	Anodyne	 
C=C[C@]1(C)C[C@H](O)[C@]2(C)[C@H](C1)C(=O)C[C@H]1[C@]3(C)CCC[C@@]12OC3=O	ZINC000085562046	EG	Annotated	Mild	 
C=C[C@]1(C)C[C@H](O)[C@]2(C)[C@@H](C1)C(=O)C[C@H]1[C@]3(C)CCC[C@@]12OC3=O	ZINC000085562054	EG	Annotated	Mild	 
CNc1nc(CNC(=O)Nc2cccc(-n3ccc(C)n3)c2)cs1	ZINC000085580356	EG	Annotated	Anodyne	 
C=C1C[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12	ZINC000085602966	EG	Annotated	Reactive	 
CCCCc1oc(CCc2ccc(O)c(OCCNC)c2)cc1CO	ZINC000085624472	EG	Annotated	Anodyne	in-vitro biogenic
CC1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(O)CC1	ZINC000085637039	EG	Annotated	Anodyne	in-vitro biogenic
CC1=C(C2=C(C)C(=O)C(=O)C(C(C)C)=C2)C=C(C(C)C)C(=O)C1=O	ZINC000085641665	EG	Annotated	Mild	in-man
CO[C@@]12CC[C@@H](O)[C@@](C)(CC[C@@H]3C(C=O)=C[C@@H](C=C(C)C)[C@H](O)[C@H]31)C2	ZINC000085643249	EG	Annotated	Reactive	 
C/C(=C\CC[C@@H](C)C1=CC[C@@]2(C)OC3=C(C[C@@H]12)C(=O)[C@H](O)CC3)CO	ZINC000085645390	EG	Annotated	Mild	 
C[C@H]1c2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)OC1(C)C	ZINC000085646247	EG	Annotated	Clean	in-vitro biogenic
COc1cc(/C=C/C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)ccc1O	ZINC000085666405	EG	Annotated	Anodyne	 
C[C@@H]1CC[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCc1ccoc1	ZINC000085693085	EG	Annotated	Anodyne	 
CC(C)C1=C(O)C(=O)C2=C[C@]34CCC[C@](C)(CO3)[C@@H]4CC=C2C1=O	ZINC000085693998	EG	Annotated	Mild	 
CC(C)CC(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@H]1CC[C@H]5[C@]4(C)C(=O)O3	ZINC000085694017	EG	Annotated	Anodyne	
CC(C)CC(=O)O[C@@H]1OC=C2[C@@H]3C[C@@H]4C[C@]25[C@@H]1CC[C@H]5[C@]4(C)C(=O)O3	ZINC000085694018	EG	Annotated	Anodyne	
CC(C)[C@@H]1CC=C2C[C@H]3O[C@@H](C[C@H]4O[C@@]34C)[C@](C)(O)C(=O)C[C@]21C	ZINC000085694886	EG	Annotated	Anodyne	 
CC1=C(CCc2ccoc2)[C@@]2(C)CCC(=O)[C@]3(C)C(=O)O[C@H](C1=O)[C@H]23	ZINC000085695665	EG	Annotated	Mild	 
CC[C@@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13	ZINC000085741350	EG	Annotated	Anodyne	in-man
CC[C@H]1[C@H]2CCN3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4C2)[C@H]13	ZINC000085741357	EG	Annotated	Anodyne	in-man
C=C[C@@](C)(O)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O	ZINC000085760056	EG	Annotated	Mild	in-vitro biogenic
C=C[C@@](C)(O)CC/C=C(\C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O	ZINC000085760058	EG	Annotated	Mild	 
CC(C)=CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@]1(C)O	ZINC000085767985	EG	Annotated	Anodyne	 
CC1=C(C=O)C[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)CC[C@@]12C	ZINC000085771859	EG	Annotated	Reactive	 
C=C[C@@](C)(O)C[C@@H](O)/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O	ZINC000085773754	EG	Annotated	Mild	 
C/C=C1/C[N+]2([O-])CCc3c4n(c5ccccc35)[C@@H](C(=O)OC)[C@H]1C[C@@H]42	ZINC000085776221	EG	Annotated	Bother	 
CC(=O)O[C@@H]1/C=C(\C)CC/C=C(/CO)C[C@@H](OC(C)=O)[C@@H]1C(C)C	ZINC000085799490	EG	Annotated	Anodyne	 
C[C@@H]1C[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2	ZINC000085807666	EG	Annotated	Anodyne	 
CC(=O)O[C@@H]1CC(C(C)C)=C[C@@H]2[C@H](CC[C@@]2(C)OC(C)=O)[C@@]1(C)O	ZINC000085827346	EG	Annotated	Anodyne	 
C[C@@H]1C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1	ZINC000085841924	EG	Annotated	Anodyne	 
CC1=CCC[C@H]2[C@@]1(C(=O)O)[C@@H](O)C[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1	ZINC000085841954	EG	Annotated	Anodyne	 
C[C@@]1(CCC2=CCOC2=O)[C@@H](CO)CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]12	ZINC000085841981	EG	Annotated	Anodyne	 
C/C=C1/CN2[C@H]3C[C@@H]1[C@H](CO)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12	ZINC000085847160	EG	Annotated	Anodyne	 
C/C=C1/CN2[C@H]3C[C@@H]1[C@H](C=O)[C@@H]2Cc1c3n(C)c2ccc(OC)cc12	ZINC000085847180	EG	Annotated	Mild	 
CC(C)C1=CC2=CC(=O)[C@@H]3C(C)(C)C(=O)CC[C@]3(C)C2=C(O)C1=O	ZINC000085873900	EG	Annotated	Mild	in-vitro biogenic
CC(C)c1ccc2c(c1)CC[C@@]1(O)[C@](C)(C(=O)O)CCC(=O)[C@]21C	ZINC000085887709	EG	Annotated	Anodyne	 
CC(C)[C@]1(O)C=C2C(=O)[C@H]3OC(=O)[C@@]4(C)CCC[C@](C)([C@H]2CC1)[C@@H]34	ZINC000085887780	EG	Annotated	Mild	 
CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C(=O)[C@H](O)[C@@]12C	ZINC000085888259	EG	Annotated	Anodyne	 
C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C=CC(=O)[C@@]3(C)CC[C@@H]21	ZINC000085889258	EG	Annotated	Mild	 
C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2C3=C(C)C(=O)C=C[C@@]3(C)CC[C@H]21	ZINC000085889278	EG	Annotated	Mild	 
C=C1[C@@H](O)C(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\CCOC1=O	ZINC000085891512	EG	Annotated	Mild	 
COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3	ZINC000085897013	EG	Annotated	Anodyne	 
COC(=O)[C@]12CCC=C3C=CCN(CCc4c1[nH]c1ccccc41)[C@H]32	ZINC000085897209	EG	Annotated	Anodyne	 
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@H]3C(C)(C)CCC[C@]23C(=O)O1	ZINC000085908378	EG	Annotated	Mild	in-man
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@H]1C[C@@H]3C(C)(C)CCC[C@]23C(=O)O1	ZINC000085908379	EG	Annotated	Mild	in-man
CC1=C(C=O)[C@@H]2C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@@H]2CO1)N3C	ZINC000085916514	EG	Annotated	Reactive	 
C=C[C@]1(C)C=C2C(=O)C(O)=C3C(C)(C)CC[C@@H](O)[C@]3(C)[C@@]2(O)CC1	ZINC000085932114	EG	Annotated	Mild	 
C=C[C@@]1(C)C[C@]2(Oc3c1c(=O)oc1cccc(C)c31)OC(C)(C)[C@H]2O	ZINC000085944832	EG	Annotated	Mild	 
CC(C)=CC[C@]1(O)c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21	ZINC000085946180	EG	Annotated	Anodyne	 
CCC[C@H](O)C/C=C(\Cl)C(=O)C(Br)Br	ZINC000085951709	EG	Annotated	Reactive	 
CC1(C)C=C([C@H](Cl)CBr)[C@@H](O)C[C@H]1Br	ZINC000085951726	EG	Annotated	Reactive	 
CC1=C2CC(C)(C)/C=C/C(=O)/C(C)=C/C3=C[C@@](C)(O)C[C@]3(O2)C1=O	ZINC000085952305	EG	Annotated	Mild	 
CC(C)c1cc2c(cc1O)[C@@]1(C)C[C@@H](C2=O)C(=O)C(C)(C)[C@@H]1C=O	ZINC000085952906	EG	Annotated	Mild	in-vitro biogenic
CC1=C(CCO)C(=O)C(O)=C2C1=CC(=O)[C@H]1C(C)(C)CCC[C@]21C	ZINC000085970841	EG	Annotated	Mild	 
C[C@H]1Cc2c(O)c3c(c(O)c2O1)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O	ZINC000085976719	EG	Annotated	Anodyne	 
CC1(C)CCC[C@]2(C)c3c(O)c4c(c(O)c3C(=O)C[C@@H]12)C[C@H](CO)O4	ZINC000085976745	EG	Annotated	Anodyne	 
C[n+]1ccc2cc3c(cc2c2cc4ccc5c(c4c1-2)OCO5)OCO3	ZINC000085994966	EG	Annotated	Bother	 
C=CCC1=C(O)C(=O)C2=C(C=C[C@@H]3[C@@](C)(CO)CCC[C@]23C)C1=O	ZINC000085995649	EG	Annotated	Mild	 
Oc1ccc(-c2cc(Cc3ncc[nH]3)ccc2O)c(Cc2ncc[nH]2)c1	ZINC000085996406	EG	Annotated	Anodyne	in-man
CC[C@]12CCCN3C(=O)C=C(c4ccccc4NC(=O)CC1)[C@@]32OC	ZINC000085996645	EG	Annotated	Anodyne	 
CC[C@@]12CCCN3C(=O)C=C(c4ccccc4NC(=O)CC1)[C@]32OC	ZINC000085996648	EG	Annotated	Anodyne	 
COc1ccc2c(c1OC)[C@H](Cc1ccc(O)cc1)[N+](C)(C)CC2	ZINC000085997714	EG	Annotated	Bother	in-man
COc1ccc2c(c1OC)[C@@H](Cc1ccc(O)cc1)[N+](C)(C)CC2	ZINC000085997715	EG	Annotated	Bother	in-man
COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=C[C@@H]1CCN3CCC2	ZINC000085998048	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=C[C@@H]1CCN3CCC2	ZINC000085998049	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=C[C@@H]1CCN3CCC2	ZINC000085998050	EG	Annotated	Anodyne	 
O=C(/C(Br)=C\Br)[C@@H](Cl)Br	ZINC000086000605	EG	Annotated	Reactive	 
O=C(C=C(Br)Br)[C@@H](Cl)Br	ZINC000086000609	EG	Annotated	Reactive	 
C[C@H](CO)C1=C(O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O	ZINC000086004417	EG	Annotated	Mild	 
C[C@H](CO)C1=C(O)C2=CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O	ZINC000086004423	EG	Annotated	Mild	 
C[C@H](CO)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2	ZINC000086004460	EG	Annotated	Clean	 
CC(C)C1=CC2=CC(=O)[C@H]3C(C)(C)C[C@H](O)C[C@]3(C)C2=C(O)C1=O	ZINC000086004505	EG	Annotated	Mild	 
COc1cc(/C=C\C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)ccc1O	ZINC000086021098	EG	Annotated	Anodyne	 
CO[C@@H]1CCC2(Oc3cccc4cccc(c34)O2)C2=C1C(=O)C=CC2=O	ZINC000086034281	EG	Annotated	Mild	 
COC1=C(C)C(=O)C(C)(C)C(=O)/C1=C1\C=Cc2c(OC)cccc2O1	ZINC000086037138	EG	Annotated	Mild	 
CCc1nc(CNc2ccc(C(=O)NCc3ccco3)cc2C)no1	ZINC000086201315	EG	Annotated	Anodyne	 
CC(=O)Nc1ccc(N/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1	ZINC000087705928	EG	Annotated	Anodyne	 
COC(=O)/C=C/c1nn(C(=O)O)c2ccc(OC)c(C(C)(C)C)c12	ZINC000089195690	EG	Annotated	Anodyne	 
O=C1N=C(O)[C@H]([N+]2=CCc3ccccc32)[C@@H]1n1ccc2ccccc21	ZINC000089210107	EG	Annotated	Anodyne	 
O=C1N=C(O)[C@@H]([N+]2=CCc3ccccc32)[C@@H]1n1ccc2ccccc21	ZINC000089213238	EG	Annotated	Anodyne	 
Nc1nc(N(Cc2ccccc2)Cc2ccccc2)c2cn[nH]c2n1	ZINC000089223079	EG	Annotated	Anodyne	 
Cc1cccc([C@@H]2CNCCc3c2cc(O)c(O)c3Br)c1	ZINC000089464572	EG	Annotated	Clean	
Cc1cccc([C@H]2CNCCc3c2cc(O)c(O)c3Br)c1	ZINC000089464577	EG	Annotated	Clean	
Cc1ccccc1[C@@H]1CNCCc2c1cc(O)c(O)c2Br	ZINC000089464594	EG	Annotated	Clean	
Cc1ccccc1[C@H]1CNCCc2c1cc(O)c(O)c2Br	ZINC000089464597	EG	Annotated	Clean	
C=CC(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1	ZINC000089905070	EG	Annotated	Anodyne	 
C=CC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1	ZINC000089905071	EG	Annotated	Anodyne	 
O=C(NO)c1cc(CSCc2cccc(C(F)(F)F)c2)on1	ZINC000009133257	EG	Annotated	Anodyne	
CC1=C2[C@@H](O)C(=O)O[C@H]3C[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)[C@@H](CC1)[C@@]23C	ZINC000009186907	EG	Annotated	Mild	
C[C@@H]1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21	ZINC000009251061	EG	Annotated	Anodyne	 
C[C@H]1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21	ZINC000009251062	EG	Annotated	Anodyne	 
CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1Nc1nc(C)cs1	ZINC000009268399	EG	Annotated	Anodyne	 
CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1N(C)Cc1ccco1	ZINC000009268509	EG	Annotated	Anodyne	 
O=C(c1nc(-c2ccncc2)no1)N1CC=C(c2ccccc2)CC1	ZINC000009405754	EG	Annotated	Anodyne	 
CCC1=C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@H]13	ZINC000090415196	EG	Annotated	Anodyne	 
Cc1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)c(Cl)c1	ZINC000091476171	EG	Annotated	Anodyne	 
CC(C)[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@H]1C(=O)O	ZINC000091819059	EG	Annotated	Anodyne	 
CC(C)(C)CN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1	ZINC000091830812	EG	Annotated	Anodyne	 
Cc1cc(C)cc(-n2nnc(S(=O)(=O)c3ccccc3)c2C)c1	ZINC000009611232	EG	Annotated	Anodyne	 
CCc1nnc(NC(=O)c2noc3c2CCc2sccc2-3)s1	ZINC000009642622	EG	Annotated	Anodyne	 
Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1-c1ccsc1CC2	ZINC000009687511	EG	Annotated	Anodyne	 
Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1ccsc1CC2	ZINC000009687657	EG	Annotated	Anodyne	 
Cc1cc(C)nc(NNC2=CC(=[N+]3CCCCC3)CC(C)(C)C2)n1	ZINC000095351618	EG	Annotated	Anodyne	 
Cc1nc(C)c(CNCc2nnc3n2CCC[C@@H]3C(F)(F)F)s1	ZINC000095402051	EG	Annotated	Anodyne	 
Cc1nc(C)c(CNCc2nnc3n2CCC[C@H]3C(F)(F)F)s1	ZINC000095402052	EG	Annotated	Anodyne	 
Cc1ncsc1[C@H](OC(=O)C1(CO[N+](=O)[O-])CC1)c1ccccc1	ZINC000095552278	EG	Annotated	Anodyne	
Cc1ncsc1[C@@H](OC(=O)C1(CO[N+](=O)[O-])CC1)c1ccccc1	ZINC000095552279	EG	Annotated	Anodyne	
Cn1cccc1S(=O)(=O)Cc1ccccc1/N=C/c1ccc[nH]1	ZINC000095552577	EG	Annotated	Mild	
COc1cccc(-c2cccc([C@H]3C[C@H]3c3cc(=O)n(C)c(N)n3)c2)c1	ZINC000095552705	EG	Annotated	Anodyne	
O=C(OCc1cccs1)c1cc2c(o1)C(=O)c1ccccc1C2=O	ZINC000095554161	EG	Annotated	Clean	
OC1CCN(C2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)CC1	ZINC000095554320	EG	Annotated	Anodyne	
Cc1nc(-c2cccnc2Nc2cccc3[nH]ncc23)c2cn[nH]c2n1	ZINC000095554352	EG	Annotated	Anodyne	
Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2cncn2C)nn1	ZINC000095555213	EG	Annotated	Anodyne	
Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2cncn2C)nn1	ZINC000095555214	EG	Annotated	Anodyne	
CCOC(=O)c1cc(C)c(O)c(/C=N/Nc2nc3ccccc3[nH]2)c1	ZINC000095555319	EG	Annotated	Mild	
Cc1ncsc1[C@@H](c1ccccc1)n1cc(-c2cncc(O)c2)nn1	ZINC000095555634	EG	Annotated	Anodyne	
Cc1ncsc1[C@H](c1ccccc1)n1cc(-c2cncc(O)c2)nn1	ZINC000095555635	EG	Annotated	Anodyne	
C[C@@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2	ZINC000095555873	EG	Annotated	Reactive	
O=C1NC(=S)N(Cc2ccccc2)/C1=C\c1ccc2[nH]ccc2c1	ZINC000095556222	EG	Annotated	Anodyne	
COc1cccc(-c2cccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)c2)c1	ZINC000095557316	EG	Annotated	Anodyne	
CC(C)(C)CS(=O)(=O)Cc1nnc(-c2ccc(Cl)cc2)o1	ZINC000095557511	EG	Annotated	Anodyne	
O=C1OCC[C@H]2N=C(c3ccccc3)c3ccccc3-n3cnc1c32	ZINC000095557688	EG	Annotated	Anodyne	
O=C1OCC[C@@H]2N=C(c3ccccc3)c3ccccc3-n3cnc1c32	ZINC000095557689	EG	Annotated	Anodyne	
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc([N+](=O)[O-])cc34)[C@@H]21	ZINC000095557770	EG	Annotated	Clean	
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc([N+](=O)[O-])cc34)[C@H]21	ZINC000095557771	EG	Annotated	Clean	
CCCCCCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O	ZINC000095558144	EG	Annotated	Mild	
O=C(Nc1ncc([N+](=O)[O-])s1)c1cc(Cl)cc(Cl)c1O	ZINC000095559131	EG	Annotated	Bother	
O=C(Nc1nc(-c2ccccc2)co1)C1=NNC[C@@H]1c1ccccc1	ZINC000095559181	EG	Annotated	Anodyne	
O=C(Nc1nc(-c2ccccc2)co1)C1=NNC[C@H]1c1ccccc1	ZINC000095559182	EG	Annotated	Anodyne	
CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)c2cn(C)nc12	ZINC000095559567	EG	Annotated	Anodyne	
Cc1ccc(-c2coc(NC(=O)C3=NNC[C@@H]3c3ccccc3)n2)cc1	ZINC000095559610	EG	Annotated	Anodyne	
Cc1ccc(-c2coc(NC(=O)C3=NNC[C@H]3c3ccccc3)n2)cc1	ZINC000095559611	EG	Annotated	Anodyne	
Cc1ccc(-c2c[nH]/c(=N\C(=O)c3n[nH]cc3-c3ccccc3)[nH]2)cc1	ZINC000095559626	EG	Annotated	Anodyne	
CNc1nc(N)nc2nc(-c3c(F)cccc3N3CCCC3)ccc12	ZINC000095559910	EG	Annotated	Anodyne	
C#C[C@@]12O[C@]1(CO)[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC2=O	ZINC000095560185	EG	Annotated	Mild	
CN(C(=S)NN=C(c1ccccn1)c1ccccn1)c1ccccc1	ZINC000095560355	EG	Annotated	Mild	
O=C(/N=c1\[nH]cc(-c2ccccc2)[nH]1)c1n[nH]cc1-c1ccccc1	ZINC000095560855	EG	Annotated	Anodyne	
O=C1c2ccccc2N(CC2CC2)C(=O)CN1CC1CCCCC1	ZINC000095562018	EG	Annotated	Anodyne	
N#CC1(n2cc([C@@H](NC(=O)c3ccccc3)C3CCCCC3)nn2)CC1	ZINC000095562131	EG	Annotated	Mild	
C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1	ZINC000095564048	EG	Annotated	Mild	
C=C[C@@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1	ZINC000095564049	EG	Annotated	Mild	
C=C[C@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@@](C)(O)CC(=O)C=C(C)C)O1	ZINC000095564050	EG	Annotated	Mild	
C=C[C@](C)(O)C/C=C/[C@@]1(C)CC[C@@H]([C@](C)(O)CC(=O)C=C(C)C)O1	ZINC000095564051	EG	Annotated	Mild	
CC(C)N1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl	ZINC000095565317	EG	Annotated	Anodyne	
CC(C)N1C(=O)CC[C@]1(C)C(=O)NCc1ccc(Cl)cc1Cl	ZINC000095565318	EG	Annotated	Anodyne	
CCN1C(=O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1Cl	ZINC000095565333	EG	Annotated	Anodyne	
CCN1C(=O)CC[C@]1(C)C(=O)NCc1ccc(Cl)cc1Cl	ZINC000095565334	EG	Annotated	Anodyne	
O=c1[nH]c(=S)[nH]c2c1[C@H](C1CC1)O[C@H](CCc1ccccc1)C2	ZINC000095566570	EG	Annotated	Anodyne	 
CC(C)CN1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1	ZINC000095566970	EG	Annotated	Clean	 
CCCCNC(=O)c1nc(C2CCNCC2)oc1-c1ccccc1	ZINC000095567490	EG	Annotated	Anodyne	 
CC[C@@]1(c2ccccc2)C(=O)N(C(=O)OC(C)C)N1C(=O)OC(C)C	ZINC000095567797	EG	Annotated	Anodyne	
Cc1cccc(N2CCN(C(=S)Nc3cc(C)ccn3)CC2)c1	ZINC000095568665	EG	Annotated	Anodyne	 
CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCCC1	ZINC000095569571	EG	Annotated	Anodyne	 
CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCCC1	ZINC000095569572	EG	Annotated	Anodyne	 
Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2C(C)C)cc1	ZINC000095569651	EG	Annotated	Anodyne	 
Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2C(C)C)cc1	ZINC000095569652	EG	Annotated	Anodyne	 
CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(C)C(=O)c1ccccc12	ZINC000095570024	EG	Annotated	Anodyne	 
O=C(NCC(F)(F)F)c1[nH]c(C(F)(F)F)nc1-c1ccccc1	ZINC000095570062	EG	Annotated	Anodyne	 
Cc1ccnc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000095570557	EG	Annotated	Anodyne	 
O=C(c1cccc(Br)c1)c1nc2ccccc2nc1O	ZINC000095570607	EG	Annotated	Anodyne	 
COc1ccc([C@H]2CC(=O)C[C@@H](CCn3cc(C(C)C)nn3)O2)cc1	ZINC000095570727	EG	Annotated	Anodyne	 
COc1cc2c(cc1OC)/C(=C/C(=O)OCc1ccccc1)OC2	ZINC000095571514	EG	Annotated	Anodyne	 
COc1cc(/C=C2\CCCN3CCON=C23)ccc1-n1cnc(C)c1	ZINC000095572704	EG	Annotated	Anodyne	
O=C1NC(=O)c2cc(Sc3ccc(Br)cc3)ccc21	ZINC000095573171	EG	Annotated	Anodyne	
CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2CCNCC2)no1	ZINC000095573719	EG	Annotated	Anodyne	
CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2CCNCC2)no1	ZINC000095573720	EG	Annotated	Anodyne	
O=C(Nc1cccc2c1[C@@H]1CCCCN1C2=O)Nc1ncccc1O	ZINC000095573841	EG	Annotated	Anodyne	
O=C(Nc1cccc2c1[C@H]1CCCCN1C2=O)Nc1ncccc1O	ZINC000095573842	EG	Annotated	Anodyne	
COc1cc(Nc2ncnc3c2sc2nccnc23)cc(OC)c1	ZINC000095575985	EG	Annotated	Anodyne	
CSc1nnc(-c2cc(Br)c(Br)[nH]2)o1	ZINC000095576014	EG	Annotated	Anodyne	
C/C(=N/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1	ZINC000095576084	EG	Annotated	Mild	
c1cnc2c(n1)sc1c(Nc3ccc4c(c3)OCCO4)ncnc12	ZINC000095576574	EG	Annotated	Anodyne	
CNc1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1	ZINC000095576912	EG	Annotated	Anodyne	
CCN(CC)c1ccc(C(NC(=O)C(C)C)NC(=O)C(C)C)cc1	ZINC000095576946	EG	Annotated	Clean	
C/C(=N/N=c1/[nH]c(-c2ccc(C#N)cc2)cs1)c1nccs1	ZINC000095577185	EG	Annotated	Mild	
Cc1nccn1-c1c(O)ccc2c1nc(CNc1ccccc1)n2C	ZINC000095578399	EG	Annotated	Anodyne	
CN(C)c1ccc(-c2nc3cc(OCCOCCF)ccc3o2)cn1	ZINC000095578631	EG	Annotated	Anodyne	
CC#Cc1ccnc(-c2cc([C@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1	ZINC000095578720	EG	Annotated	Mild	
CC#Cc1ccnc(-c2cc([C@@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1	ZINC000095578721	EG	Annotated	Mild	
O[C@@H](Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl	ZINC000095579025	EG	Annotated	Anodyne	
O[C@H](Cn1cc(-c2ccccn2)nn1)c1ccc(Cl)cc1Cl	ZINC000095579026	EG	Annotated	Anodyne	
COc1ccccc1Cn1c(-c2cccnc2N)nc2cccnc21	ZINC000095579066	EG	Annotated	Anodyne	
CC#Cc1cncc(-c2cc([C@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1	ZINC000095579095	EG	Annotated	Mild	
CC#Cc1cncc(-c2cc([C@@]3(C4CC4)N=C(C)C(N)=N3)ccc2O)c1	ZINC000095579096	EG	Annotated	Mild	
CCc1ccc(C(=O)C[C@@H](c2ccccc2)C(C(=O)O)C(=O)O)cc1	ZINC000095579771	EG	Annotated	Anodyne	
CCc1ccc(C(=O)C[C@H](c2ccccc2)C(C(=O)O)C(=O)O)cc1	ZINC000095579772	EG	Annotated	Anodyne	
Cc1cnn2c1n[n+]([O-])c1ccc(OC[C@@H](C)c3ccccc3)cc12	ZINC000095580318	EG	Annotated	Anodyne	
Cc1cnn2c1n[n+]([O-])c1ccc(OC[C@H](C)c3ccccc3)cc12	ZINC000095580319	EG	Annotated	Anodyne	
Fc1ccccc1Cn1nc(-c2noc(=S)[nH]2)c2cccnc21	ZINC000095580966	EG	Annotated	Anodyne	
CC[C@@H](C)NC1=NS(=O)(=O)c2cc(C(F)(F)F)ccc2S1	ZINC000095583341	EG	Annotated	Anodyne	
CC[C@H](C)NC1=NS(=O)(=O)c2cc(C(F)(F)F)ccc2S1	ZINC000095583342	EG	Annotated	Anodyne	
C=CCCCc1cc(O)c(C(=O)CCCCCCC(=O)O)c(=O)o1	ZINC000095583687	EG	Annotated	Mild	
COc1cccc(CN2CCc3cc4nc(N)sc4cc3CC2)c1	ZINC000095584460	EG	Annotated	Anodyne	
CN(C)c1ccc(C(=O)c2ncc(-c3ccc(N(C)C)cc3)[nH]2)cc1	ZINC000095585069	EG	Annotated	Anodyne	
Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccccn5)nc4c3)nc12	ZINC000095585187	EG	Annotated	Anodyne	
O=C(CC12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2)NO	ZINC000095585986	EG	Annotated	Bother	
COc1cc(C#C/C=C\C#Cc2ccccc2N)cc(OC)c1OC	ZINC000095586502	EG	Annotated	Mild	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)[C@@H]3O	ZINC000095586917	EG	Annotated	Anodyne	
O=C(C(=O)N1CCCC1)c1cn(C(=O)c2ccccc2)c2ccccc12	ZINC000095587623	EG	Annotated	Anodyne	
O=C(c1ccc(C(=O)C(F)(F)F)cc1)N1CCOc2ccccc2C1	ZINC000095587759	EG	Annotated	Anodyne	
CC(C)(CO)NCc1ccc2oc3ccc(Cl)cc3c(=O)c2c1	ZINC000095587779	EG	Annotated	Bother	
O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCCCC3)[nH]c21	ZINC000095587801	EG	Annotated	Clean	
CC(C)N(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000095587824	EG	Annotated	Clean	
COc1cc2c(c(OC)c1OC)-c1c(c3ccccc3n1C)[C@H]2O	ZINC000095588302	EG	Annotated	Anodyne	
COc1cc2c(c(OC)c1OC)-c1c(c3ccccc3n1C)[C@@H]2O	ZINC000095588303	EG	Annotated	Anodyne	
Cc1cc(C)cc(Cn2c(=O)ccn(C/C=C/c3ccccc3)c2=O)c1	ZINC000095588740	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)C3	ZINC000095590986	EG	Annotated	Anodyne	
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@@]13C[C@@H](O)[C@@](C)(CC[C@@H]21)C3	ZINC000095591109	EG	Annotated	Anodyne	
CN1CC[C@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1	ZINC000095591347	EG	Annotated	Mild	
CN1CC[C@@H](O/N=C/c2ccccc2OCc2cccc(F)c2)C1	ZINC000095591348	EG	Annotated	Mild	
N[C@@H](Cc1ccccc1)c1nc(=O)c2cc(-c3ccncc3)ccc2[nH]1	ZINC000095591489	EG	Annotated	Anodyne	
CCc1ccc(-c2ccc3c(c2)-c2[nH]ncc2S(=O)(=O)N3C)cc1	ZINC000095591813	EG	Annotated	Anodyne	
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@H]3OC(=O)C=C3CC[C@@H]12	ZINC000095591974	EG	Annotated	Anodyne	
CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@H]3OC(=O)C=C3CC[C@@H]12	ZINC000095592045	EG	Annotated	Anodyne	
CCCN(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000095592160	EG	Annotated	Clean	
COc1ccc(-c2nnc(-c3ccc(O)cc3O)s2)cc1OC	ZINC000095592283	EG	Annotated	Anodyne	
Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N\O)c1ccccc1-3	ZINC000095592322	EG	Annotated	Mild	
CCOC(=O)c1c(OC2CCCC2)cc(Cc2ccccc2)[nH]c1=O	ZINC000095592616	EG	Annotated	Anodyne	
Cc1cc(-c2nnc(-c3ccc(O)cc3O)s2)ccc1[N+](=O)[O-]	ZINC000095592719	EG	Annotated	Bother	
CC(C)=CC[C@@]12OC[C@@H]3C[C@@H](C=C4C(=O)c5ccccc5O[C@]431)C2=O	ZINC000095592773	EG	Annotated	Mild	
Nc1ncc2c(n1)-c1c([nH]c3ccc(Br)cc13)CCC2	ZINC000095592824	EG	Annotated	Anodyne	
CCN(CC)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	ZINC000095592830	EG	Annotated	Clean	
N#CCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])c2cccnc2c1O	ZINC000095593192	EG	Annotated	Mild	
CNC(=O)c1ccc(C(F)(F)F)nc1N(C)c1ccc(OC)cc1	ZINC000095593477	EG	Annotated	Anodyne	
CC[C@@H](C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000095593588	EG	Annotated	Mild	
CC[C@H](C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000095593589	EG	Annotated	Mild	
CNC(=S)N/N=C(\c1ccc(C(C)(C)C)cc1)c1ccccn1	ZINC000095593899	EG	Annotated	Mild	
COC(=O)c1ccccc1SN1C(=O)C(=O)c2cccc(Cl)c21	ZINC000095595094	EG	Annotated	Anodyne	
CCOc1ccccc1-c1c(C#N)c(N)nc2sc(C#N)c(N)c12	ZINC000095595259	EG	Annotated	Mild	
COc1cc(OC)c(-c2ccnn2C)c(O)c1C(=O)c1ccccc1	ZINC000095595529	EG	Annotated	Anodyne	
Cc1ccccc1-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O	ZINC000095595623	EG	Annotated	Anodyne	
CC(C)C(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O	ZINC000095596202	EG	Annotated	Mild	
CN(c1ccccc1)c1nc(C(F)(F)F)ccc1-c1nnnn1C	ZINC000095596977	EG	Annotated	Anodyne	
N#Cc1sc2nc(N)c(C#N)c(-c3c[nH]c4ccccc34)c2c1N	ZINC000095597033	EG	Annotated	Mild	
Cc1nc2sc(C(=O)NC3CCOCC3)c(N)c2c(C)c1Cl	ZINC000095597312	EG	Annotated	Anodyne	
CN[C@@]12CCc3cc(OC)c(OC)c(c31)-c1cc3c(cc1C2)OCO3	ZINC000095598826	EG	Annotated	Anodyne	 
CN[C@]12CCc3cc(OC)c(OC)c(c31)-c1cc3c(cc1C2)OCO3	ZINC000095598827	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)N2CC(CO)=CC[C@@H]2c2ccccc2)cc1	ZINC000095599060	EG	Annotated	Anodyne	 
Cc1ccc(S(=O)(=O)N2CC(CO)=CC[C@H]2c2ccccc2)cc1	ZINC000095599061	EG	Annotated	Anodyne	 
CC(=O)C1=CC[C@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000095599819	EG	Annotated	Mild	 
CC(=O)C1=CC[C@@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)C1	ZINC000095599820	EG	Annotated	Mild	 
COc1ccc(-c2oc3c(c2-c2cnc(OC)nc2)[C@@H](O)CC3)cc1	ZINC000095599852	EG	Annotated	Anodyne	 
COc1ccc(-c2oc3c(c2-c2cnc(OC)nc2)[C@H](O)CC3)cc1	ZINC000095599853	EG	Annotated	Anodyne	 
CC(C)n1c(=O)c2ccccc2n1Cc1cn(C2CCCC2)nn1	ZINC000095600491	EG	Annotated	Anodyne	 
CN1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl	ZINC000095600648	EG	Annotated	Anodyne	
O=C1NC[C@H](c2ccccc2)N(CCCCC2CCCCC2)C1=O	ZINC000095600741	EG	Annotated	Anodyne	 
CC(C)n1c(=O)c2ccccc2n1Cc1cn(-c2ccccc2)nn1	ZINC000095600921	EG	Annotated	Anodyne	 
COc1cccc(-c2ccc3c(NC(C)=O)c(C(N)=O)sc3n2)c1	ZINC000095601168	EG	Annotated	Anodyne	
Cc1nc(C(=O)Nc2cccc(C#N)n2)c(C)n1-c1ccc(F)cc1	ZINC000095602166	EG	Annotated	Mild	
Cc1nc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1ccc(F)cc1	ZINC000095602229	EG	Annotated	Anodyne	
Cc1ccc([C@](O)(C(=O)OC(C)C)[C@H](O)c2ccc(F)cc2)cc1	ZINC000095602706	EG	Annotated	Anodyne	 
Cc1ccc([C@@](O)(C(=O)OC(C)C)[C@H](O)c2ccc(F)cc2)cc1	ZINC000095602707	EG	Annotated	Anodyne	 
Cc1ccc([C@](O)(C(=O)OC(C)C)[C@@H](O)c2ccc(F)cc2)cc1	ZINC000095602708	EG	Annotated	Anodyne	 
Cc1ccc([C@@](O)(C(=O)OC(C)C)[C@@H](O)c2ccc(F)cc2)cc1	ZINC000095602709	EG	Annotated	Anodyne	 
CCc1c(C)sc(NS(=O)(=O)c2ccccc2)c1C(=O)OC	ZINC000095602900	EG	Annotated	Anodyne	
Cc1cccc(CN2[C@H](COCc3ccccc3)C=CS2(=O)=O)c1	ZINC000095603013	EG	Annotated	Anodyne	 
O=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCCc2ccccc21	ZINC000095603361	EG	Annotated	Anodyne	 
C[C@H](Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1	ZINC000095603541	EG	Annotated	Anodyne	
C[C@@H](Sc1ccc2nnc(-c3cccs3)n2n1)c1nnco1	ZINC000095603542	EG	Annotated	Anodyne	
CCc1c(C)sc(NS(=O)(=O)C2CCCCC2)c1C(=O)OC	ZINC000095603820	EG	Annotated	Anodyne	
O=S(=O)(c1ccccc1)[C@@H]1CN1c1c(F)c(F)c(F)c(F)c1F	ZINC000095604107	EG	Annotated	Anodyne	 
O=S(=O)(c1ccccc1)[C@H]1CN1c1c(F)c(F)c(F)c(F)c1F	ZINC000095604108	EG	Annotated	Anodyne	 
CC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1	ZINC000095604546	EG	Annotated	Mild	 
CC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C1	ZINC000095604547	EG	Annotated	Mild	 
COC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@H]1c1ccc(F)cc1	ZINC000095604564	EG	Annotated	Anodyne	
COC(=O)C1=C(C)N(CC(C)C)C(=S)N[C@@H]1c1ccc(F)cc1	ZINC000095604565	EG	Annotated	Anodyne	
Cc1nc(C(=O)Nc2ccnc(Cl)n2)c(C)n1-c1ccc(F)cc1	ZINC000095604799	EG	Annotated	Anodyne	
C[C@H](C(=O)O)c1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1	ZINC000095604950	EG	Annotated	Anodyne	
C[C@@H](C(=O)O)c1sc(/C=C2\NC(=O)CS2)nc1-c1ccccc1	ZINC000095604951	EG	Annotated	Anodyne	
O=C(NC1CCCCC1)[C@H](c1cc2ccccc2o1)N1CCOCC1	ZINC000095605102	EG	Annotated	Anodyne	 
O=C(NC1CCCCC1)[C@@H](c1cc2ccccc2o1)N1CCOCC1	ZINC000095605103	EG	Annotated	Anodyne	 
Cc1nc(C(=O)Nc2cccc(F)n2)c(C)n1-c1ccc(F)cc1	ZINC000095605227	EG	Annotated	Anodyne	
O=C1O[C@@H](c2ccccc2)C[C@@H](O)[C@H](O)CCCc2ccccc21	ZINC000095605396	EG	Annotated	Anodyne	 
CCCC[C@H]1OC(=O)c2cc(NC(=O)CCCO[N+](=O)[O-])ccc21	ZINC000095605530	EG	Annotated	Anodyne	
CCCC[C@@H]1OC(=O)c2cc(NC(=O)CCCO[N+](=O)[O-])ccc21	ZINC000095605531	EG	Annotated	Anodyne	
CC(=O)C[C@H]1SC[C@@H](C(C)C)N1S(=O)(=O)c1ccc(C)cc1	ZINC000095605756	EG	Annotated	Anodyne	 
CCc1coc2ccc(N3C[C@@]4(CN5CCC4CC5)OC3=O)cc12	ZINC000095607760	EG	Annotated	Anodyne	
CCOC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000095615477	EG	Annotated	Clean	
CCOC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	ZINC000095615478	EG	Annotated	Clean	
COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(C)cc(OC)c1C2=O	ZINC000095618876	EG	Annotated	Mild	in-man
C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@]1(CO1)C3	ZINC000095635913	EG	Annotated	Anodyne	in-vitro
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@H]21)[C@@]1(CO1)C3	ZINC000095635914	EG	Annotated	Anodyne	in-vitro
C[C@@]12CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO1)C3	ZINC000095635915	EG	Annotated	Anodyne	in-vitro
C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](C(=O)O)[C@@]13C[C@@H](CC[C@@H]21)[C@@]1(CO1)C3	ZINC000095635916	EG	Annotated	Anodyne	in-vitro
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(Br)cc1	ZINC000095642307	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(Br)cc1	ZINC000095642308	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(OC(F)(F)F)c2)C1	ZINC000095642317	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@@H](c2cccc(OC(F)(F)F)c2)C1	ZINC000095642318	EG	Annotated	Anodyne	 
C[C@@H]1CN(C)C(=O)c2ccccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C	ZINC000095661575	EG	Annotated	Anodyne	
Cc1ccc(Cn2nnnc2NCc2ccc(N3CCCC3)cc2)cc1	ZINC000095665642	EG	Annotated	Clean	
CCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO	ZINC000095667237	EG	Annotated	Mild	
CCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO	ZINC000095667369	EG	Annotated	Mild	
CCC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N	ZINC000095667374	EG	Annotated	Mild	
CCC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO	ZINC000095667378	EG	Annotated	Mild	
CCC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@H]1CO	ZINC000095667382	EG	Annotated	Mild	
CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1C#N	ZINC000095667385	EG	Annotated	Mild	
CCC(=O)N1[C@@H](C#N)[C@@H](c2ccccc2-c2cccc(C)c2)[C@@H]1CO	ZINC000095667390	EG	Annotated	Mild	
N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095668011	EG	Annotated	Mild	
N#C[C@@H]1[C@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCC1	ZINC000095668015	EG	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095668020	EG	Annotated	Mild	
N#C[C@@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095668023	EG	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@@H](CO)N1C(=O)C1CCC1	ZINC000095668031	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](C#N)[C@H](c2ccccc2-c2ccccc2)[C@@H]1CO	ZINC000095668221	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1CO	ZINC000095668225	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2-c2ccccc2)[C@@H]1C#N	ZINC000095668229	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2-c2ccccc2)[C@@H]1C#N	ZINC000095668232	EG	Annotated	Mild	
CC(C)(C)Oc1c(I)cncc1OC1CC1	ZINC000095719545	EG	Annotated	Anodyne	 
CC(C)(C)Oc1nccc(OC2CC2)c1I	ZINC000095719987	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cc(I)c(OC2CC2)cn1	ZINC000095721049	EG	Annotated	Anodyne	 
CC(C)(C)Oc1nccc(I)c1OC1CC1	ZINC000095721296	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cncc(OC2CC2)c1I	ZINC000095721349	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cnc(I)c(OC2CC2)c1	ZINC000095721649	EG	Annotated	Anodyne	 
CC(C)(C)Oc1c(OC2CC2)ccnc1I	ZINC000095721794	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cc(I)ncc1OC1CC1	ZINC000095722129	EG	Annotated	Anodyne	 
CC(C)(C)Oc1ncc(I)cc1OC1CC1	ZINC000095722173	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cncc(I)c1OC1CC1	ZINC000095723296	EG	Annotated	Anodyne	 
CC(C)(C)Oc1ccc(OC2CC2)c(I)n1	ZINC000095723720	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cc(OC2CC2)cnc1I	ZINC000095724441	EG	Annotated	Anodyne	 
CC(C)(C)Oc1nc(I)ccc1OC1CC1	ZINC000095725387	EG	Annotated	Anodyne	 
CC(C)(C)Oc1ccnc(I)c1OC1CC1	ZINC000095726380	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cc(OC2CC2)c(I)cn1	ZINC000095726597	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cnc(I)cc1OC1CC1	ZINC000095727458	EG	Annotated	Anodyne	 
CC(C)(C)Oc1ncc(OC2CC2)cc1I	ZINC000095727527	EG	Annotated	Anodyne	 
CC(C)(C)Oc1cc(OC2CC2)cc(I)n1	ZINC000095727610	EG	Annotated	Anodyne	 
FC(F)(F)c1cc(OC2CC2)cnc1I	ZINC000095733797	EG	Annotated	Anodyne	 
FC(F)(F)c1c(I)cncc1OC1CC1	ZINC000095733825	EG	Annotated	Anodyne	 
FC(F)(F)c1c(OC2CC2)ccnc1I	ZINC000095733827	EG	Annotated	Anodyne	 
FC(F)(F)c1cc(I)ncc1OC1CC1	ZINC000095733854	EG	Annotated	Anodyne	 
FC(F)(F)c1ccc(OC2CC2)c(I)n1	ZINC000095733895	EG	Annotated	Anodyne	 
FC(F)(F)c1ccnc(I)c1OC1CC1	ZINC000095733968	EG	Annotated	Anodyne	 
FC(F)(F)c1cnc(I)c(OC2CC2)c1	ZINC000095733990	EG	Annotated	Anodyne	 
FC(F)(F)c1cnc(I)cc1OC1CC1	ZINC000095733992	EG	Annotated	Anodyne	 
FC(F)(F)c1cncc(I)c1OC1CC1	ZINC000095734015	EG	Annotated	Anodyne	 
FC(F)(F)c1cncc(OC2CC2)c1I	ZINC000095734019	EG	Annotated	Anodyne	 
FC(F)(F)c1cc(OC2CC2)cc(I)n1	ZINC000095734053	EG	Annotated	Anodyne	 
FC(F)(F)c1nc(I)ccc1OC1CC1	ZINC000095734055	EG	Annotated	Anodyne	 
FC(F)(F)c1cc(OC2CC2)c(I)cn1	ZINC000095734071	EG	Annotated	Anodyne	 
FC(F)(F)c1ncc(I)cc1OC1CC1	ZINC000095734074	EG	Annotated	Anodyne	 
FC(F)(F)c1cc(I)c(OC2CC2)cn1	ZINC000095734088	EG	Annotated	Anodyne	 
FC(F)(F)c1ncc(OC2CC2)cc1I	ZINC000095734095	EG	Annotated	Anodyne	 
FC(F)(F)c1nccc(I)c1OC1CC1	ZINC000095734124	EG	Annotated	Anodyne	 
FC(F)(F)c1nccc(OC2CC2)c1I	ZINC000095734127	EG	Annotated	Anodyne	 
Br[C@H]1C(I)=CC=C[C@H]1OC1CC1	ZINC000095734632	EG	Annotated	Reactive	 
Br[C@H]1C(I)=CC=C[C@@H]1OC1CC1	ZINC000095734634	EG	Annotated	Reactive	 
Br[C@@H]1C(I)=CC=C[C@H]1OC1CC1	ZINC000095734636	EG	Annotated	Reactive	 
Br[C@@H]1C(I)=CC=C[C@@H]1OC1CC1	ZINC000095734638	EG	Annotated	Reactive	 
CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2Br)C1	ZINC000095752121	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2Br)C1	ZINC000095752123	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1Br	ZINC000095752125	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccccc1Br	ZINC000095752126	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@H](c2ccccc2OC(F)(F)F)C1	ZINC000095752140	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@@H](c2ccccc2OC(F)(F)F)C1	ZINC000095752141	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccccc1OC(F)(F)F	ZINC000095752143	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccccc1OC(F)(F)F	ZINC000095752146	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1cccc(OC(F)(F)F)c1	ZINC000095752149	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1c1cccc(OC(F)(F)F)c1	ZINC000095752152	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(OC(F)(F)F)cc2)C1	ZINC000095752154	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(OC(F)(F)F)cc2)C1	ZINC000095752156	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc(OC(F)(F)F)cc1	ZINC000095752157	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(OC(F)(F)F)cc1	ZINC000095752160	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccccc1C(F)(F)F	ZINC000095752437	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccccc1C(F)(F)F	ZINC000095752440	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000095752450	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(C(F)(F)F)cc2)C1	ZINC000095752452	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc(C(F)(F)F)cc1	ZINC000095752454	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(C(F)(F)F)cc1	ZINC000095752456	EG	Annotated	Anodyne	 
COc1ccc(OC)c(-c2nn(Cc3nnco3)c3ccccc23)c1	ZINC000095755514	EG	Annotated	Anodyne	
COc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1OC	ZINC000095755516	EG	Annotated	Anodyne	
COc1cc(OC)cc(-c2nn(Cc3nnco3)c3ccccc23)c1	ZINC000095755530	EG	Annotated	Anodyne	
CCOC(=O)c1c(N)sc2c1CCCN(C(=O)OC(C)(C)C)C2	ZINC000095761130	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)NCCc1cc(Br)cc(C=O)c1	ZINC000095764795	EG	Annotated	Anodyne	 
CC(=O)c1cc(Br)nc(CNC(=O)OC(C)(C)C)c1	ZINC000095766608	EG	Annotated	Anodyne	 
CC(=O)c1cc(Br)cc(CNC(=O)OC(C)(C)C)n1	ZINC000095766770	EG	Annotated	Anodyne	 
CC(=O)c1cc(CNC(=O)OC(C)(C)C)cc(Br)n1	ZINC000095766930	EG	Annotated	Anodyne	 
CC(=O)c1cc(Br)nc(CCNC(=O)OC(C)(C)C)c1	ZINC000095767609	EG	Annotated	Anodyne	 
CC(=O)c1cc(CCNC(=O)OC(C)(C)C)nc(C(F)(F)F)c1	ZINC000095767703	EG	Annotated	Anodyne	 
CC(=O)c1cc(Br)cc(CCNC(=O)OC(C)(C)C)n1	ZINC000095767802	EG	Annotated	Anodyne	 
CC(=O)c1cc(C(F)(F)F)cc(CCNC(=O)OC(C)(C)C)n1	ZINC000095767889	EG	Annotated	Anodyne	 
CC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(Br)n1	ZINC000095767976	EG	Annotated	Anodyne	 
CC(=O)c1cc(CCNC(=O)OC(C)(C)C)cc(C(F)(F)F)n1	ZINC000095768067	EG	Annotated	Anodyne	 
CC(C)(C)OC(=O)N1CCc2ccc(CBr)nc2C1	ZINC000095774316	EG	Annotated	Reactive	 
O=C1N(Cc2ccccc2)C[C@H](c2ccccc2F)[C@]12CCCNC2	ZINC000095775158	EG	Annotated	Anodyne	 
O=C1N(Cc2ccccc2)C[C@@H](c2ccccc2F)[C@]12CCCNC2	ZINC000095775160	EG	Annotated	Anodyne	 
O=C1N(Cc2ccccc2)C[C@H](c2ccccc2F)[C@@]12CCCNC2	ZINC000095775162	EG	Annotated	Anodyne	 
O=C1N(Cc2ccccc2)C[C@@H](c2ccccc2F)[C@@]12CCCNC2	ZINC000095775164	EG	Annotated	Anodyne	 
CC(C)(C)c1ccc(N2C(=O)CS(=O)(=O)[C@H]2c2ccccc2)cc1	ZINC000095784996	EG	Annotated	Anodyne	
CC(C)(C)c1ccc(N2C(=O)CS(=O)(=O)[C@@H]2c2ccccc2)cc1	ZINC000095784999	EG	Annotated	Anodyne	
COc1ccc([C@H]2C[C@H]3C(Br)=C[C@@H]2C(=O)[C@]32CO2)cc1	ZINC000095785160	EG	Annotated	Anodyne	
CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](C)[C@H]1CCCO	ZINC000095785222	EG	Annotated	Anodyne	
C/C=C/c1ccccc1[C@H]1[C@@H](CO)N(C(=O)NC2CCCC2)[C@H]1C#N	ZINC000095798365	EG	Annotated	Mild	
C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)NC2CCCC2)[C@H]1CO	ZINC000095798406	EG	Annotated	Mild	
CC(=O)NC(=O)[C@@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccc(Cl)cc1	ZINC000095803158	EG	Annotated	Mild	
CC(=O)NC(=O)[C@H]1C=C2C=CC=C[C@@H]2O/C1=N\c1ccc(Cl)cc1	ZINC000095803159	EG	Annotated	Mild	
CC(=O)NC(=O)[C@@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccc(Cl)cc1	ZINC000095803160	EG	Annotated	Mild	
CC(=O)NC(=O)[C@H]1C=C2C=CC=C[C@H]2O/C1=N\c1ccc(Cl)cc1	ZINC000095803161	EG	Annotated	Mild	
CC1=C(C/C=N/NC(=O)c2ccc(C(=O)NO)cc2)C(C)(C)CCC1	ZINC000095808183	EG	Annotated	Reactive	
CC1=C(C/C=N/NC(=O)CCCCCC(=O)NO)C(C)(C)CCC1	ZINC000095808280	EG	Annotated	Reactive	
CC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCCC(=O)NO	ZINC000095808310	EG	Annotated	Reactive	
CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1	ZINC000095808398	EG	Annotated	Reactive	
CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1	ZINC000095808580	EG	Annotated	Reactive	
CC1=C(C/C=N/NC(=O)c2cccc(C(=O)NO)c2)C(C)(C)CCC1	ZINC000095808783	EG	Annotated	Reactive	
CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1	ZINC000095809318	EG	Annotated	Reactive	
CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1	ZINC000095809319	EG	Annotated	Reactive	
CC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCC(=O)NO	ZINC000095809380	EG	Annotated	Reactive	
CCCNC(=O)N1[C@H](C#N)[C@H](c2ccccc2C2=CCCC2)[C@@H]1CO	ZINC000095867942	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2C2=CCCC2)[C@@H]1C#N	ZINC000095867957	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2C2=CCCC2)[C@@H]1C#N	ZINC000095867959	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccccc2C2=CCCC2)[C@@H]1CO	ZINC000095867970	EG	Annotated	Mild	
OC[C@H]1N[C@@H](CNCC2CCC2)[C@@H]1c1ccc(C2=CCCCC2)cc1	ZINC000095871683	EG	Annotated	Anodyne	
Fc1ccc(Cn2cc(CSc3nnc(C4CCC4)o3)nn2)cc1	ZINC000095872092	EG	Annotated	Anodyne	
c1ccc(Cn2cc(CSc3nnc(C4CCC4)o3)nn2)cc1	ZINC000095872093	EG	Annotated	Anodyne	
Cc1[nH]nc2c1[C@@H](c1cccc3nonc13)C1=C(CC(C)(C)CC1=O)N2	ZINC000095872422	EG	Annotated	Mild	
Cc1[nH]nc2c1[C@H](c1cccc3nonc13)C1=C(CC(C)(C)CC1=O)N2	ZINC000095872423	EG	Annotated	Mild	
CCOC(=O)N1C(=O)C2(CCCCC2)N(Cc2ccccc2)C1=S	ZINC000095872949	EG	Annotated	Anodyne	
CCOC(=O)N1C(=O)C2(CCCC2)N(c2ccc(C)cc2)C1=S	ZINC000095872950	EG	Annotated	Anodyne	
CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccccc2)C1=S	ZINC000095872961	EG	Annotated	Anodyne	
CN1CCCCN2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1	ZINC000095875305	EG	Annotated	Anodyne	
CN1CCCCN2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1	ZINC000095875306	EG	Annotated	Anodyne	
CC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095877975	EG	Annotated	Anodyne	
CC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21	ZINC000095877977	EG	Annotated	Anodyne	
CC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21	ZINC000095877979	EG	Annotated	Anodyne	
CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO	ZINC000095878172	EG	Annotated	Anodyne	
CCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21	ZINC000095878173	EG	Annotated	Anodyne	
CCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21	ZINC000095878174	EG	Annotated	Anodyne	
CCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21	ZINC000095878175	EG	Annotated	Anodyne	
CC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(F)cc3)ccc1N[C@H]2CO	ZINC000095878800	EG	Annotated	Anodyne	
CC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@H]21	ZINC000095878801	EG	Annotated	Anodyne	
CC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(F)cc4)cc3[C@@H]21	ZINC000095878802	EG	Annotated	Anodyne	
O=C(Nc1ccccc1Cl)N1[C@@H](CO)[C@@H]2c3ccccc3NC[C@@H]21	ZINC000095894208	EG	Annotated	Anodyne	
O=C(Nc1ccccc1Cl)N1[C@H](CO)[C@H]2c3ccccc3NC[C@H]21	ZINC000095894209	EG	Annotated	Anodyne	
O=C(Nc1ccccc1Cl)N1[C@@H]2CNc3ccccc3[C@@H]2[C@@H]1CO	ZINC000095894210	EG	Annotated	Anodyne	
O=C(Nc1ccccc1Cl)N1[C@H](CO)[C@@H]2c3ccccc3NC[C@@H]21	ZINC000095894211	EG	Annotated	Anodyne	
CN1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl	ZINC000095894793	EG	Annotated	Anodyne	
CN1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl	ZINC000095894794	EG	Annotated	Anodyne	
CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl	ZINC000095894795	EG	Annotated	Anodyne	
OC[C@H]1N[C@@H](CNCC2CCC2)[C@@H]1c1ccc(C2=CCCC2)cc1	ZINC000095894901	EG	Annotated	Anodyne	
N#C[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095896073	EG	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095896074	EG	Annotated	Mild	
N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095896075	EG	Annotated	Mild	
N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1	ZINC000095896076	EG	Annotated	Mild	
N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)C1CCC1	ZINC000095896077	EG	Annotated	Mild	
N#C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1	ZINC000095896078	EG	Annotated	Mild	
N#C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1	ZINC000095896079	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1C#N	ZINC000095896157	EG	Annotated	Mild	
CCCNC(=O)N1[C@H](C#N)[C@@H](c2ccc(C3=CCCC3)cc2)[C@H]1CO	ZINC000095896158	EG	Annotated	Mild	
C/C=C/c1ccc([C@@H]2[C@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1	ZINC000095897822	EG	Annotated	Mild	
C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1	ZINC000095897823	EG	Annotated	Mild	
C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@H]2CO)cc1	ZINC000095897824	EG	Annotated	Mild	
C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1	ZINC000095897825	EG	Annotated	Mild	
C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)NC3CCCC3)[C@H]2C#N)cc1	ZINC000095897826	EG	Annotated	Mild	
C[C@@]12OC[C@H]3OC4=C5C=C[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(CO1)[C@H]32	ZINC000095909489	EG	Annotated	Anodyne	in-vitro biogenic
CC(=O)O[C@@]1(CO)C[C@@]23CC[C@@H]4[C@H](O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000095909504	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)=CCc1cc(/C=C/C(=O)O)c(O)c(C/C=C(/C)CO)c1O	ZINC000095910663	EG	Annotated	Anodyne	in-vitro biogenic
C[C@H]1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(O)C3	ZINC000095910666	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@H](O)C1)O2	ZINC000095911246	EG	Annotated	Anodyne	in-vitro biogenic
COC(=O)C1=CCC[C@H]2[C@@H]1CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@@H]12	ZINC000095911254	EG	Annotated	Anodyne	in-vitro biogenic
CO[C@@H]1C(C=O)=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O	ZINC000095911664	EG	Annotated	Reactive	in-vitro biogenic
C=C1[C@H](OC(=O)CC(C)C)C[C@@H](C(C)C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)C[C@@H]12	ZINC000095912092	EG	Annotated	Mild	in-vitro biogenic
C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCC1=CC(=O)O[C@@H]1O	ZINC000095912108	EG	Annotated	Mild	in-vitro biogenic
C/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)[C@H](O)C(C)(C)O	ZINC000095912667	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCc1ccoc1	ZINC000095912772	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2	ZINC000095912773	EG	Annotated	Anodyne	in-vitro biogenic
C=C[C@]1(C)C=C2[C@H](O)C[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2C[C@H]1O	ZINC000095913618	EG	Annotated	Mild	in-vitro biogenic
C[C@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)C1=CCC[C@@H]32	ZINC000095914462	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1[C@H]2C[C@@]34COC(=O)[C@@H]3CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2	ZINC000095914492	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@@]2(C)[C@@]12CC[C@]1(C=COC1)O2	ZINC000095914529	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@H]1CC(=O)[C@]2(C)[C@@H](CC[C@@H]3O[C@@]32C)[C@]12C[C@@H](c1ccoc1)OC2=O	ZINC000095914789	EG	Annotated	Anodyne	in-vitro biogenic
CC(C)C1=C[C@H](C=O)[C@@H]2C(=C1O)OC(=O)[C@@]21CCCC(C)(C)[C@@H]1C=O	ZINC000095914874	EG	Annotated	Mild	in-vitro biogenic
C[C@@H]1[C@H]2C[C@@]34COC(=O)C3=CC=C[C@H]4[C@@]13C[C@H](c1ccoc1)O[C@H]3O2	ZINC000095915001	EG	Annotated	Anodyne	in-vitro biogenic
C[C@@]12CCC[C@@](CO)(C(=O)O)[C@H]1CC[C@]13C[C@@H](CO)[C@H](CC[C@H]12)C3	ZINC000095918657	EG	Annotated	Anodyne	in-vitro biogenic
CC1=C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5	ZINC000095918714	EG	Annotated	Anodyne	in-vitro biogenic
C=C1C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N(CCO)C5	ZINC000095918715	EG	Annotated	Mild	in-vitro biogenic
CC1=C[C@]23CC(=O)[C@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@H]36)N1CCO[C@@H]15	ZINC000095918717	EG	Annotated	Anodyne	in-vitro biogenic
O=C1CCCC/C=C\CCNC(=O)c2c(O)cc(O)c(Cl)c2C1	ZINC000095920644	EG	Annotated	Anodyne	
O=C1CCCC/C=C/CCNC(=O)c2c(O)cc(O)c(Cl)c2C1	ZINC000095920645	EG	Annotated	Anodyne	
O=C1N=Cc2cc(OC[C@@H]3CNCC[C@H]3c3ccc(F)cc3)ccc21	ZINC000095920726	EG	Annotated	Anodyne	
CCO[C@@H]1C[C@@]2(C)OC[C@]3(C)CC[C@@H](C(C)(C)OC(C)=O)C[C@@]32O1	ZINC000096014361	EG	Annotated	Anodyne	 
CCO[C@H]1C[C@@]2(C)OC[C@]3(C)CC[C@@H](C(C)(C)OC(C)=O)C[C@@]32O1	ZINC000096014364	EG	Annotated	Anodyne	 
CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(Cc3nccs3)C2)O1	ZINC000096018784	EG	Annotated	Anodyne	 
CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)c3ccccc3)C2)O1	ZINC000096019042	EG	Annotated	Anodyne	 
CCOC(=O)CC[C@@H]1CC[C@]2(CCCN(C(=O)C3CCCC3)C2)O1	ZINC000096019044	EG	Annotated	Anodyne	 
CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)c3ccccc3)C2)O1	ZINC000096019051	EG	Annotated	Anodyne	 
CCOC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)C3CCCC3)C2)O1	ZINC000096019062	EG	Annotated	Anodyne	 
CCCCN1CCCOc2cc(Br)ccc2S1(=O)=O	ZINC000096019168	EG	Annotated	Anodyne	 
O=C(NCc1ccccc1)OCCN1C(=O)CCC12CCCCC2	ZINC000096019296	EG	Annotated	Anodyne	 
CCCCCCCCNS(=O)(=O)C[C@H]1NCc2ccc(C)cc21	ZINC000096020242	EG	Annotated	Anodyne	 
CCCCCCCCNS(=O)(=O)C[C@@H]1NCc2ccc(C)cc21	ZINC000096020243	EG	Annotated	Anodyne	 
CCCCCCCCNS(=O)(=O)C[C@H]1NCc2cc(F)ccc21	ZINC000096020256	EG	Annotated	Anodyne	 
CCCCCCCCNS(=O)(=O)C[C@@H]1NCc2cc(F)ccc21	ZINC000096020257	EG	Annotated	Anodyne	 
C=CCN1[C@@H](Cc2ccccc2)COc2cc(F)ccc2S1(=O)=O	ZINC000096020534	EG	Annotated	Anodyne	 
C=CCN1[C@H](Cc2ccccc2)COc2cc(F)ccc2S1(=O)=O	ZINC000096020536	EG	Annotated	Anodyne	 
C=CCN1[C@@H](Cc2ccccc2)COc2cccc(F)c2S1(=O)=O	ZINC000096020537	EG	Annotated	Anodyne	 
C/C1=C\CC[C@@](C)(O)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C1)OC2=O	ZINC000096086055	EG	Annotated	Anodyne	in-vitro
C/C1=C\CC[C@](C)(O)/C=C/[C@@](O)(C(C)C)CCC2=C[C@@H](C1)OC2=O	ZINC000096086056	EG	Annotated	Anodyne	in-vitro
COc1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2ccc(O)cc2)n1	ZINC000096086111	EG	Annotated	Anodyne	
COc1cc2c([nH]c3ccc(O)c(O)c32)c(Cc2ccc(O)cc2)n1	ZINC000096086112	EG	Annotated	Clean	
O=C(c1ccc2c(c1)OCO2)[C@H]1CO[C@@H](c2ccc3c(c2)OCO3)C1	ZINC000096086390	EG	Annotated	Anodyne	
CC[C@@H]1N(Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2C	ZINC000096092049	EG	Annotated	Anodyne	 
Cc1ccc(CN2CC[C@H]3OCC[C@@H](c4nc(C)no4)[C@H]3C2)cc1	ZINC000096100078	EG	Annotated	Anodyne	 
COc1ccc2c(c1)C1(CCN(Cc3ccoc3)CC1)N(C)CC2	ZINC000096100652	EG	Annotated	Anodyne	 
Cc1ccoc1C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1	ZINC000096109316	EG	Annotated	Anodyne	 
CC(=O)Oc1ccc(C2=NO[C@H](c3ccccc3)C2)c(OC(C)=O)c1	ZINC000096142530	EG	Annotated	Anodyne	
CC(=O)Oc1ccc(C2=NO[C@@H](c3ccccc3)C2)c(OC(C)=O)c1	ZINC000096142531	EG	Annotated	Anodyne	
Cc1nc(COC[C@H]2CCC[C@]23CN(CC2CC2)CCO3)cs1	ZINC000096160011	EG	Annotated	Anodyne	 
CCN(CCO)Cc1ccc2oc3cccc4c(O)nnc(c2c1)c34	ZINC000096167437	EG	Annotated	Bother	
CCCOc1ccc([C@@H]2CNC(=O)N2c2ccn3ccnc3c2)cc1	ZINC000096168038	EG	Annotated	Anodyne	
CCCOc1ccc([C@H]2CNC(=O)N2c2ccn3ccnc3c2)cc1	ZINC000096168039	EG	Annotated	Anodyne	
NC(=O)c1ccc(C(=O)N2CCC[C@@H]3c4ccccc4CC[C@@H]32)cc1	ZINC000096169196	EG	Annotated	Anodyne	
NC(=O)c1ccc(C(=O)N2CCC[C@H]3c4ccccc4CC[C@@H]32)cc1	ZINC000096169197	EG	Annotated	Anodyne	
Cn1nnc2cc(C(=O)N3CCC[C@H]4c5ccccc5CC[C@@H]43)ccc21	ZINC000096169286	EG	Annotated	Anodyne	
Cn1nnc2cc(C(=O)N3CCC[C@@H]4c5ccccc5CC[C@@H]43)ccc21	ZINC000096169287	EG	Annotated	Anodyne	
O=C(c1ccc2[nH]cnc2n1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21	ZINC000096169302	EG	Annotated	Anodyne	
O=C(c1ccc2[nH]cnc2n1)N1CCC[C@H]2c3ccccc3CC[C@@H]21	ZINC000096169303	EG	Annotated	Anodyne	
O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2C1	ZINC000096169401	EG	Annotated	Anodyne	
O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2C1	ZINC000096169402	EG	Annotated	Anodyne	
O=C1Cc2ccc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)cc2N1	ZINC000096169403	EG	Annotated	Anodyne	
O=C1Cc2ccc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)cc2N1	ZINC000096169404	EG	Annotated	Anodyne	
NC1=Nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2C1	ZINC000096169418	EG	Annotated	Anodyne	
NC1=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2C1	ZINC000096169419	EG	Annotated	Anodyne	
O=C1C=Nc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc2C1	ZINC000096169461	EG	Annotated	Anodyne	
O=C1C=Nc2cc(C(=O)N3CCC[C@H]4c5ccccc5C[C@@H]43)ccc2C1	ZINC000096169462	EG	Annotated	Anodyne	
CCC[C@@]1(O)C[C@@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)C[C@@H]2C1	ZINC000096169528	EG	Annotated	Anodyne	
COc1ccccc1CNc1cccn2nc(Nc3cccnc3)nc12	ZINC000096169900	EG	Annotated	Anodyne	
COc1ccccc1CNc1cccn2nc(Nc3ccncc3)nc12	ZINC000096169901	EG	Annotated	Anodyne	
O=C(CSc1cc(Cl)ccc1Cl)NN/C=C1/C=CC=N1	ZINC000096170011	EG	Annotated	Reactive	 
CO/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1	ZINC000096170303	EG	Annotated	Mild	
CO/N=C(\C)c1ccc2ncc(Cc3ccc4ncccc4c3)n2n1	ZINC000096170306	EG	Annotated	Mild	
O=C1CC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1cc(F)cc(F)c1F	ZINC000096172354	EG	Annotated	Anodyne	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(Cl)cn3)C2)cc1	ZINC000096172920	EG	Annotated	Anodyne	
CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ncc(C)cn3)C2)cc1	ZINC000096172964	EG	Annotated	Anodyne	
CC1CCC(NCc2ccn(Cc3ccccc3)c(=O)c2O)CC1	ZINC000096173242	EG	Annotated	Anodyne	
C[C@H](NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1	ZINC000096173243	EG	Annotated	Anodyne	
C[C@@H](NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1	ZINC000096173244	EG	Annotated	Anodyne	
Nc1cc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)ccn1	ZINC000096173934	EG	Annotated	Anodyne	
Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cn1	ZINC000096173936	EG	Annotated	Anodyne	
c1cc(NC2CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1	ZINC000096174945	EG	Annotated	Anodyne	
c1cc(OC2CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1	ZINC000096174953	EG	Annotated	Anodyne	
CC(C)(CN)COc1cccc2ccc(-c3nnc4ccccn34)nc12	ZINC000096174964	EG	Annotated	Anodyne	
CC(C)COc1cccc2ccc(-c3nnc4cc(CN)ccn34)nc12	ZINC000096174966	EG	Annotated	Anodyne	
OCC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1	ZINC000096174968	EG	Annotated	Anodyne	
CC(C)(CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12	ZINC000096174970	EG	Annotated	Anodyne	
CC[C@@H](CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12	ZINC000096175120	EG	Annotated	Anodyne	
CC[C@H](CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12	ZINC000096175121	EG	Annotated	Anodyne	
O=C(Nc1cncc(Oc2cncnc2)c1)c1cc(F)ccc1F	ZINC000096175669	EG	Annotated	Anodyne	
N#CCc1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1	ZINC000096176037	EG	Annotated	Mild	
CN(C)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1	ZINC000096176038	EG	Annotated	Anodyne	
c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)c2cc[nH]c2c1	ZINC000096176042	EG	Annotated	Anodyne	
CC(C)(C)c1cc(F)ccc1OC1CN(C(=O)c2ccccn2)C1	ZINC000096177562	EG	Annotated	Anodyne	
Cc1cc(C)n2nc([C@@H]3C[C@@H]3c3nc(-c4ccccc4)cn3C)nc2n1	ZINC000096177987	EG	Annotated	Anodyne	
Cc1cc(C)n2nc([C@H]3C[C@@H]3c3nc(-c4ccccc4)cn3C)nc2n1	ZINC000096177988	EG	Annotated	Anodyne	
Cc1cc(C)n2nc([C@@H]3C[C@H]3c3nc(-c4ccccc4)cn3C)nc2n1	ZINC000096177989	EG	Annotated	Anodyne	
Cc1cc(C)n2nc([C@H]3C[C@H]3c3nc(-c4ccccc4)cn3C)nc2n1	ZINC000096177990	EG	Annotated	Anodyne	
CN(c1cncnc1)c1ccnc(C(=O)Cc2cccc(Cl)n2)c1	ZINC000096178172	EG	Annotated	Anodyne	
O=C(Cc1cccc(Cl)n1)c1cc(Oc2cncnc2)ccn1	ZINC000096178179	EG	Annotated	Anodyne	
O=C(Cc1ccc(Cl)cn1)c1cc(Oc2cncnc2)ccn1	ZINC000096178180	EG	Annotated	Anodyne	
O=C(Cc1cc(Cl)ccn1)c1cc(Oc2cncnc2)ccn1	ZINC000096178189	EG	Annotated	Anodyne	
O=C(Cc1nc(C(F)F)cs1)c1cc(Oc2cncnc2)ccn1	ZINC000096178196	EG	Annotated	Anodyne	
O=C(Cc1ccc(F)c(CF)n1)c1cc(Oc2cncnc2)ccn1	ZINC000096178200	EG	Annotated	Anodyne	
Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Oc4cccc2c43)no1	ZINC000096178940	EG	Annotated	Anodyne	
O=C(Nc1ccccn1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32	ZINC000096178944	EG	Annotated	Anodyne	
Cc1ccc2c(c1)[C@H](NC(=O)N(C)C)CC21CCN(C(C)C)CC1	ZINC000096241787	EG	Annotated	Anodyne	 
Cc1ccc2c(c1)[C@@H](NC(=O)N(C)C)CC21CCN(C(C)C)CC1	ZINC000096241788	EG	Annotated	Anodyne	 
CC(C)c1ccc(CCn2c(O)cc(=O)n(C3CCCC3)c2=O)cc1	ZINC000096270106	EG	Annotated	Anodyne	
c1ccc(Cc2nc3c(c(Nc4ccccc4)n2)CCNCC3)cc1	ZINC000096271309	EG	Annotated	Anodyne	
Cc1cncn1CCCNC(=S)Nc1cccc2ncccc12	ZINC000096271473	EG	Annotated	Anodyne	
Cc1nc2cc(NC(=S)NCCCn3cncc3C)ccc2o1	ZINC000096271485	EG	Annotated	Anodyne	
Fc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1	ZINC000096271742	EG	Annotated	Anodyne	
Fc1cccc(CSc2nnc(Cn3nnc4ccccc43)o2)c1	ZINC000096271748	EG	Annotated	Anodyne	
Fc1ccccc1CSc1nnc(Cn2nnc3ccccc32)o1	ZINC000096271754	EG	Annotated	Anodyne	
C[C@@H]1CN(c2cccnc2)CCN1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000096272421	EG	Annotated	Anodyne	
CC1CC(C(=O)N2CCc3nc(C#Cc4ccccc4)sc3C2)C1	ZINC000096272973	EG	Annotated	Mild	
O=C(N1CCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1	ZINC000096273041	EG	Annotated	Mild	
C[C@H](NC1=NS(=O)(=O)C(C)(C)C(C)(C)O1)c1ccccc1Cl	ZINC000096273931	EG	Annotated	Anodyne	
CC1(C)CC(NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2)CC(C)(C)C1	ZINC000096273952	EG	Annotated	Anodyne	
CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2n1C	ZINC000096283488	EG	Annotated	Anodyne	
CC(=O)Nc1nc2ccc(-c3cnc(N)c(C(F)(F)F)c3)cc2o1	ZINC000096283491	EG	Annotated	Anodyne	
N#Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1F	ZINC000096284280	EG	Annotated	Mild	
N#C[C@H]1CCC[C@H]1Nc1nc(-c2ccccc2)nc2c(=O)[nH]ccc12	ZINC000096285213	EG	Annotated	Mild	
NCCNc1ccn2ncc(-c3cccc(-c4ccccc4)c3)c2n1	ZINC000096286355	EG	Annotated	Anodyne	
N#C[C@@]12C(O)=NC(=O)[C@]1(C#N)C1=C(CCCC1)O[C@@H]2c1ccccc1	ZINC000096336772	EG	Annotated	Mild	 
N#C[C@@]12C(O)=NC(=O)[C@]1(C#N)C1=C(CCCC1)O[C@H]2c1ccccc1	ZINC000096336773	EG	Annotated	Mild	 
N#C[C@]12C(=O)N=C(O)[C@]1(C#N)[C@@H](c1ccccc1)OC1=C2CCCC1	ZINC000096336776	EG	Annotated	Mild	 
N#C[C@]12C(=O)N=C(O)[C@]1(C#N)[C@H](c1ccccc1)OC1=C2CCCC1	ZINC000096336777	EG	Annotated	Mild	 
Cc1ccc(C(=O)c2c(C(=O)O)oc3cc(C#N)c(C#N)cc23)cc1	ZINC000096336800	EG	Annotated	Mild	 
CCOc1ccc(C(=O)N2CCc3[nH]nc(-c4ccco4)c3C2)cc1	ZINC000096837027	EG	Annotated	Anodyne	 
CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)CO[C@H](C1=CCOC1=O)C3	ZINC000096888356	EG	Annotated	Anodyne	
COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2O)c1	ZINC000096892595	EG	Annotated	Anodyne	 
COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2O)c1	ZINC000096892596	EG	Annotated	Anodyne	 
CC(C)[C@@H](N[C@H]1c2ccccc2OC(C)(C)[C@@H]1O)C(=O)OC(C)(C)C	ZINC000096892941	EG	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2c([nH]c3ncc(C)cc23)[C@H](C2CCCCC2)N1	ZINC000096900545	EG	Annotated	Anodyne	
COC(=O)[C@@H]1Cc2c([nH]c3ncc(C)cc23)[C@@H](C2CCCCC2)N1	ZINC000096900546	EG	Annotated	Anodyne	
COC(=O)[C@H]1Cc2c([nH]c3ncc(C)cc23)[C@H](C2CCCCC2)N1	ZINC000096900547	EG	Annotated	Anodyne	
COC(=O)[C@H]1Cc2c([nH]c3ncc(C)cc23)[C@@H](C2CCCCC2)N1	ZINC000096900548	EG	Annotated	Anodyne	
CC(C)c1ccc(-c2cc(Cl)cc(C(=O)Nc3nnn[nH]3)n2)cc1	ZINC000096901298	EG	Annotated	Anodyne	
Cc1cc(N2CC=CCC2)nc(/N=C(\N)Nc2ccc(Cl)cc2)n1	ZINC000096902283	EG	Annotated	Mild	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccccn3)ccc12	ZINC000096905469	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccccn3)ccc12	ZINC000096905470	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3cccnc3)ccc12	ZINC000096905471	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3cccnc3)ccc12	ZINC000096905472	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccncc3)ccc12	ZINC000096905473	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccncc3)ccc12	ZINC000096905474	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@H]3c3ccco3)ccc12	ZINC000096905479	EG	Annotated	Anodyne	
Cc1cc(=O)[nH]c2cc(N3C(=O)CS[C@@H]3c3ccco3)ccc12	ZINC000096905480	EG	Annotated	Anodyne	
Cn1c(N)nc([C@H]2C[C@H]2c2cccc(C#Cc3ccccc3)c2)cc1=O	ZINC000096906346	EG	Annotated	Mild	
COc1ccc(Cn2cc(C#N)c(=O)c3c(F)ccc(F)c32)cc1	ZINC000096906436	EG	Annotated	Mild	
Cn1c(N)nc([C@H]2C[C@H]2c2cccc(-c3cccc(F)c3)c2)cc1=O	ZINC000096907167	EG	Annotated	Anodyne	
Cn1c(N)nc([C@H]2C[C@H]2c2cccc(Cc3ccccc3)c2)cc1=O	ZINC000096907170	EG	Annotated	Anodyne	
Cn1c(N)nc([C@H]2C[C@H]2c2cccc(CCc3ccccc3)c2)cc1=O	ZINC000096907171	EG	Annotated	Anodyne	
O=c1[nH]c(-c2ccc(O)c(O)c2)nc2sc3c(c12)CCCCC3	ZINC000096907907	EG	Annotated	Clean	
O=c1[nH]c(-c2cccc(O)c2O)nc2sc3c(c12)CCCCC3	ZINC000096907910	EG	Annotated	Clean	
O=c1[nH]c(-c2cc(O)ccc2O)nc2sc3c(c12)CCCCC3	ZINC000096907913	EG	Annotated	Anodyne	
O=c1[nH]c(-c2cc(O)cc(O)c2)nc2sc3c(c12)CCCCC3	ZINC000096907915	EG	Annotated	Anodyne	
Nc1ccc(Cl)cc1C1=NN(C(=O)CCc2ccccc2)CC1	ZINC000096907965	EG	Annotated	Anodyne	
CCOP(=O)(CCC(=O)Nc1nc(C)c(C(C)=O)s1)OCC	ZINC000096907997	EG	Annotated	Anodyne	
N/C(=N\O)c1cccc(-c2cccc(-c3cccc(/C(N)=N\O)c3)c2)c1	ZINC000096908124	EG	Annotated	Mild	
N/C(=N/O)c1ccc(-c2cccc(-c3ccc(/C(N)=N\O)cc3)c2)cc1	ZINC000096908766	EG	Annotated	Mild	
CC(C)C[C@@]1(C)OC(=O)c2c1ccn(C[C@H](O)c1ccccc1)c2=O	ZINC000096909519	EG	Annotated	Anodyne	
CC(C)C[C@]1(C)OC(=O)c2c1ccn(C[C@H](O)c1ccccc1)c2=O	ZINC000096909520	EG	Annotated	Anodyne	
CC(C)C[C@@]1(C)OC(=O)c2c1ccn(C[C@@H](O)c1ccccc1)c2=O	ZINC000096909521	EG	Annotated	Anodyne	
CC(C)C[C@]1(C)OC(=O)c2c1ccn(C[C@@H](O)c1ccccc1)c2=O	ZINC000096909522	EG	Annotated	Anodyne	
O=C1OCc2cc3ccc4c(c3c(-c3ccc(O)c(O)c3)c21)OCO4	ZINC000096909752	EG	Annotated	Clean	
N#Cc1c(-c2ccc([N+](=O)[O-])cc2)nc(S)nc1N1CCCCC1	ZINC000096910385	EG	Annotated	Mild	
CCN(CC)CCSc1nc(O)c(C#N)c(-c2ccccc2)n1	ZINC000096910390	EG	Annotated	Mild	
Cc1cc(C)nc(SCn2cnc3c(Cl)cccc3c2=O)n1	ZINC000096910568	EG	Annotated	Anodyne	
Cc1cccc(C)c1N/N=C1/C(=O)c2cccc([N+](=O)[O-])c2N=C1O	ZINC000096910601	EG	Annotated	Mild	
Cc1cccc(N/N=C2/C(=O)c3cccc([N+](=O)[O-])c3N=C2O)c1C	ZINC000096910609	EG	Annotated	Mild	
COc1cc(C)c2c3c1O[C@H]1[C@H](F)[C@H](C)C[C@H]4[C@@H](C2)N(C)CC[C@@]341	ZINC000096910744	EG	Annotated	Anodyne	
CCCNc1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1	ZINC000096910795	EG	Annotated	Bother	
CCN(CC)c1nc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1	ZINC000096910798	EG	Annotated	Bother	
O=c1nc(NC2CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	ZINC000096910799	EG	Annotated	Bother	
O=c1nc(N2CCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	ZINC000096910801	EG	Annotated	Bother	
Cc1cc(C)c2c(=O)n(CCOC(=O)Nc3ccccc3)sc2n1	ZINC000096910913	EG	Annotated	Anodyne	
Cc1cc(C)c2c(=O)n(CCOCCOc3ccccc3)sc2n1	ZINC000096910914	EG	Annotated	Anodyne	
Nc1nnc(SCc2cc(=O)c3cc(Cl)ccc3o2)s1	ZINC000096911291	EG	Annotated	Anodyne	
Cc1cc(C)n2nc(SCc3cc(=O)c4ccccc4o3)nc2n1	ZINC000096911312	EG	Annotated	Anodyne	
CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000096913472	EG	Annotated	Bother	
CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000096913473	EG	Annotated	Bother	
CC(=O)NC1=C(Cl)C(=O)c2cc3c(cc2C1=O)CCCC3(C)C	ZINC000096914038	EG	Annotated	Mild	
Cc1ccccc1C(=O)OCCOC1=C(c2ccccc2)C(=O)OC1	ZINC000096914275	EG	Annotated	Anodyne	
Cc1cccc(C(=O)OCCOC2=C(c3ccccc3)C(=O)OC2)c1	ZINC000096914281	EG	Annotated	Anodyne	
Cc1ccc(C(=O)OCCOC2=C(c3ccccc3)C(=O)OC2)cc1	ZINC000096914284	EG	Annotated	Anodyne	
COc1ccc([C@H]2SCC(=O)N2c2ccc(O)cc2)c(OC)c1	ZINC000096915208	EG	Annotated	Anodyne	
COc1ccc([C@@H]2SCC(=O)N2c2ccc(O)cc2)c(OC)c1	ZINC000096915209	EG	Annotated	Anodyne	
O=C1c2ccccc2O[C@@H](c2ccc(Cl)cc2)[C@@H]1n1cncn1	ZINC000096916640	EG	Annotated	Anodyne	
O=C1c2ccccc2O[C@@H](c2cccc(Cl)c2)[C@@H]1n1cncn1	ZINC000096916648	EG	Annotated	Anodyne	
O=C1c2ccccc2O[C@@H](c2ccccc2Cl)[C@@H]1n1cncn1	ZINC000096916654	EG	Annotated	Anodyne	
O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(-c3cncnc3)cc1)O2	ZINC000096916759	EG	Annotated	Mild	
O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1cccc(Br)c1)O2	ZINC000096916775	EG	Annotated	Mild	
O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1cccc(Br)c1)O2	ZINC000096916777	EG	Annotated	Mild	
O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1cccc(Br)c1)O2	ZINC000096916779	EG	Annotated	Mild	
O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1cccc(Br)c1)O2	ZINC000096916780	EG	Annotated	Mild	
O=C1C=C[C@@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2	ZINC000096916782	EG	Annotated	Mild	
O=C1C=C[C@@]2(C=C1Cl)OC[C@H](c1ccc(Br)cc1)O2	ZINC000096916784	EG	Annotated	Mild	
O=C1C=C[C@]2(C=C1Cl)OC[C@@H](c1ccc(Br)cc1)O2	ZINC000096916786	EG	Annotated	Mild	
O=C1C=C[C@]2(C=C1Cl)OC[C@H](c1ccc(Br)cc1)O2	ZINC000096916788	EG	Annotated	Mild	
Cc1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C(=O)C3=O)cc1	ZINC000096917424	EG	Annotated	Clean	
CN(C)CCNC(=O)c1cc2c3ccccc3oc2c2cccnc12	ZINC000096921324	EG	Annotated	Bother	
O=C(c1ccccc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cccc(F)c1	ZINC000096921515	EG	Annotated	Anodyne	
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cccnc12	ZINC000096921555	EG	Annotated	Bother	
N#Cc1cccc(-c2c(C(=O)c3ccccc3)[nH]c3nc[nH]c(=O)c23)c1	ZINC000096921743	EG	Annotated	Mild	
O=c1cc(CCl)oc(CN2CC=C(c3ccccc3)CC2)c1O	ZINC000096922494	EG	Annotated	Reactive	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccsc1	ZINC000096922571	EG	Annotated	Clean	
C[C@@H]1C[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2	ZINC000096923689	EG	Annotated	Anodyne	
Nc1cccc(C#Cc2ccc3c(c2)nc(C(=O)O)c2cccn23)c1	ZINC000096923829	EG	Annotated	Mild	
O=C(Cc1ccsc1)Nc1ccc2cc(C(=O)NO)sc2c1	ZINC000096924304	EG	Annotated	Anodyne	
CN1CCN(Cc2cccc3c(=O)c4ccc(Cl)cc4oc23)CC1	ZINC000096926902	EG	Annotated	Bother	
CCc1cccc(NC(=O)c2cc(Oc3cncnc3)cc(C)n2)n1	ZINC000096927037	EG	Annotated	Anodyne	
CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)C[C@@H]2[C@@]1(O)C#N)[C@@H](C)C3=O	ZINC000096928260	EG	Annotated	Reactive	
CO[C@H]1[C@@H]2C(=O)C(C)=CC3=C[C@H](C)C[C@@]34O[C@]2(CC1(C)C)[C@@H](C)C4=O	ZINC000096928275	EG	Annotated	Mild	
CCCCn1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1=O	ZINC000096928367	EG	Annotated	Anodyne	
CC1=CC(=O)O[C@H](/C=C(\C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1	ZINC000096929318	EG	Annotated	Mild	
CC1=CC(=O)O[C@@H](/C=C(\C)[C@@H](O)CC[C@@H](C)C2=CC(=O)C(C)(C)O2)C1	ZINC000096929319	EG	Annotated	Mild	
COc1ccc(C(=O)Cc2cc(O)c3c(c2)OCC(C)=CC3=O)cc1	ZINC000096929681	EG	Annotated	Mild	
Cc1n(Cc2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(O)cc1	ZINC000096930225	EG	Annotated	Mild	
COc1ccc(C(=O)C[n+]2ccn(Cc3cc4ccccc4o3)c2)cc1	ZINC000096930240	EG	Annotated	Mild	
O=C(C[n+]1ccn(Cc2cc3ccccc3o2)c1)c1ccc(O)cc1	ZINC000096930241	EG	Annotated	Mild	
CCOC(=O)/C(C#N)=C(\CC(=O)c1ccccc1)N1CCCCC1	ZINC000096932229	EG	Annotated	Reactive	
CC(=O)c1ccc([C@@]2(C)OC(c3ccc(C)nc3)=NN2C(C)=O)cc1	ZINC000096932236	EG	Annotated	Anodyne	
CC(=O)c1ccc([C@]2(C)OC(c3ccc(C)nc3)=NN2C(C)=O)cc1	ZINC000096932237	EG	Annotated	Anodyne	
Cc1cc(C)n(-c2nc(S)nc(-c3ccc(F)cc3)c2C#N)n1	ZINC000096932366	EG	Annotated	Mild	
C[C@@H]1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@]1(O)CCC1=CCOC1=O	ZINC000096932723	EG	Annotated	Anodyne	
Cc1nc2c(C#N)c(-c3ccc(Br)cc3)nc(S)n2n1	ZINC000096932754	EG	Annotated	Mild	
Cc1nnc2c(C#N)c(-c3ccc(Br)cc3)nc(S)n12	ZINC000096932760	EG	Annotated	Mild	
CN1C(=O)C[C@@](C)([C@@H]2C[C@H]2c2cccc(-c3cccs3)c2)N=C1N	ZINC000096932947	EG	Annotated	Anodyne	
C=CCn1c(=O)c(N/N=C/c2ccc(N(C)C)cc2)nc2ccccc21	ZINC000096933304	EG	Annotated	Mild	
COc1ccc(C(=O)Cc2ccncc2)c2cc(C(F)(F)F)nn12	ZINC000096933405	EG	Annotated	Anodyne	
C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cn1)C(C)(C)F	ZINC000096933552	EG	Annotated	Mild	
C[C@@H](NC(=O)c1ccc(C#Cc2cccc(F)c2)cc1)C(C)(C)O	ZINC000096933596	EG	Annotated	Mild	
Cc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1	ZINC000096933728	EG	Annotated	Anodyne	 
CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(F)cc2)cc1	ZINC000096933730	EG	Annotated	Anodyne	 
O=c1[nH]nc2n1-c1ccc(OCc3ccccc3Cl)cc1SC2	ZINC000096933882	EG	Annotated	Anodyne	
O=C1O[C@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3	ZINC000096934029	EG	Annotated	Reactive	
O=C1O[C@@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3	ZINC000096934030	EG	Annotated	Reactive	
O=C1O[C@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3	ZINC000096934031	EG	Annotated	Reactive	
O=C1O[C@@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3	ZINC000096934032	EG	Annotated	Reactive	
CCOC1=C(N(CC)Cc2cccnc2)C(=O)c2ccccc2C1=O	ZINC000096934156	EG	Annotated	Mild	
CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccccn1	ZINC000096934705	EG	Annotated	Clean	
CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1ccccn1	ZINC000096934706	EG	Annotated	Clean	
CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cccnc1	ZINC000096934707	EG	Annotated	Clean	
CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(C1CC1)=C2c1cccnc1	ZINC000096934708	EG	Annotated	Clean	
CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(C1CC1)=C2c1cccnc1	ZINC000096934709	EG	Annotated	Clean	
COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O)cc1	ZINC000096935156	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O)cc1	ZINC000096935157	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccc(O)cc1	ZINC000096935158	EG	Annotated	Anodyne	
COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc(O)cc1	ZINC000096935159	EG	Annotated	Anodyne	
CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1cccc(Cl)c1F	ZINC000096935261	EG	Annotated	Anodyne	
CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1cccc(Cl)c1F	ZINC000096935262	EG	Annotated	Anodyne	
Nc1nc(=S)[nH]c2c1[C@@H]1CCCN1C(=S)N2c1ccccc1	ZINC000096935385	EG	Annotated	Anodyne	
Nc1nc(=S)[nH]c2c1[C@H]1CCCN1C(=S)N2c1ccccc1	ZINC000096935386	EG	Annotated	Anodyne	
COC(=O)c1sc2cccnc2c1Nc1ccc(OC)cc1N	ZINC000096937296	EG	Annotated	Anodyne	
O=C1c2cccc(O)c2C2=N[C@H](CCCCCO)Oc3cccc1c32	ZINC000096937630	EG	Annotated	Clean	
O=C1c2cccc(O)c2C2=N[C@@H](CCCCCO)Oc3cccc1c32	ZINC000096937631	EG	Annotated	Clean	
Cc1csc([C@@H]2[C@@H](O)C(=O)C=CN2C(=O)Oc2ccccc2)c1	ZINC000096938196	EG	Annotated	Mild	
Cc1csc([C@H]2NC=CC(=O)[C@@H]2OC(=O)N(C)c2ccccc2)c1	ZINC000096938205	EG	Annotated	Mild	
Cc1ccc(C(=O)N2N=C3CCCCC[C@@H]3[C@@]2(O)C(F)(F)F)cn1	ZINC000096938689	EG	Annotated	Anodyne	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(O)[nH]c2ccccc2c1=O	ZINC000096938804	EG	Annotated	Mild	
COc1cccc(CCCCCCCc2cccc(OC)[n+]2C)[n+]1C	ZINC000096938823	EG	Annotated	Anodyne	
Cc1cc(=O)oc2c(-c3nn(-c4ccccc4)cc3C=O)c(O)ccc12	ZINC000096939309	EG	Annotated	Anodyne	
N=C(NCCCCN1CCCCC1)SCCCN1CCCCC1	ZINC000096939848	EG	Annotated	Anodyne	
C/C=C(/C)C(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1	ZINC000097035450	EG	Annotated	Anodyne	 
C/C=C(/C)C(=O)N[C@H](CC(=O)O)c1cccc(Br)c1	ZINC000097035451	EG	Annotated	Anodyne	 
CCCc1nc(N2CCN(C)CC2)nc2c1Nc1ccccc1S2	ZINC000098081965	EG	Annotated	Anodyne	
CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)n1	ZINC000098082309	EG	Annotated	Anodyne	
Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@@H]32)cc1	ZINC000098082891	EG	Annotated	Anodyne	
Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@@H]32)cc1	ZINC000098082892	EG	Annotated	Anodyne	
Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@H]32)cc1	ZINC000098082893	EG	Annotated	Anodyne	
Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@H]32)cc1	ZINC000098082894	EG	Annotated	Anodyne	
COc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@@H]32)cc1	ZINC000098082895	EG	Annotated	Anodyne	
COc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@@H]32)cc1	ZINC000098082896	EG	Annotated	Anodyne	
COc1ccc(N2C=C(c3ccccc3)[C@H]3c4nncn4C=N[C@H]32)cc1	ZINC000098082897	EG	Annotated	Anodyne	
COc1ccc(N2C=C(c3ccccc3)[C@@H]3c4nncn4C=N[C@H]32)cc1	ZINC000098082898	EG	Annotated	Anodyne	
O=S(=O)(O)c1cc(O)c(/N=C/c2cccc(O)c2)c2ccccc12	ZINC000098083298	EG	Annotated	Mild	
CCc1c(Sc2ccccc2)n(OC2CCCCC2)c(=O)[nH]c1=O	ZINC000098083472	EG	Annotated	Anodyne	
CN1CCCN(C2=C3C(=N[C@H]4C=CC=C[C@@H]34)N(C)c3ccccc32)CC1	ZINC000098083504	EG	Annotated	Anodyne	
O=C1c2nccnc2C(=O)N1c1c(Cl)cc(Cl)cc1Cl	ZINC000098083664	EG	Annotated	Anodyne	
O=c1oc2ccccc2cc1-c1nnc(/N=C/c2ccccc2O)o1	ZINC000098083665	EG	Annotated	Mild	
CCOCc1c(OC)cc2c(c1OC)C(=O)c1ccccc1C2=O	ZINC000098083744	EG	Annotated	Clean	
C[C@H]1SCC(=O)N1c1nnc2c3cc(Cl)ccc3nc-2s1	ZINC000098083750	EG	Annotated	Anodyne	
C[C@@H]1SCC(=O)N1c1nnc2c3cc(Cl)ccc3nc-2s1	ZINC000098083751	EG	Annotated	Anodyne	
COc1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1OC	ZINC000098084179	EG	Annotated	Bother	
COc1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NO2)cc1OC	ZINC000098084180	EG	Annotated	Bother	
Nc1ccc(C2(c3ccc(N)cc3)C(=O)c3ccccc3C2=O)cc1	ZINC000098084409	EG	Annotated	Clean	
Cc1nc2ccccc2c(=O)n1NC(=O)/C(Cl)=C/c1ccccc1	ZINC000098084834	EG	Annotated	Anodyne	
O=C1N/C(=N\c2nccs2)S/C1=C\c1ccc([N+](=O)[O-])s1	ZINC000098084965	EG	Annotated	Mild	
O=c1c2ccccc2c2ccccc2c(=O)n1CCc1ccccn1	ZINC000098085449	EG	Annotated	Bother	
COc1cc2c(c(O)c1CBr)C(=O)c1ccccc1C2=O	ZINC000098085546	EG	Annotated	Reactive	
COc1ccc([C@H]2Nc3ccccc3N[C@H]2c2ccc(=O)[nH]n2)cc1	ZINC000098085580	EG	Annotated	Clean	
COc1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccc(=O)[nH]n2)cc1	ZINC000098085581	EG	Annotated	Clean	
COc1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccc(=O)[nH]n2)cc1	ZINC000098085582	EG	Annotated	Clean	
COc1ccc([C@@H]2Nc3ccccc3N[C@@H]2c2ccc(=O)[nH]n2)cc1	ZINC000098085583	EG	Annotated	Clean	
COC(=O)c1cc(/N=N/c2sc(N)nc2C)cc(C(=O)OC)c1	ZINC000098085863	EG	Annotated	Clean	
Oc1cc(O)c(-c2nnc3ccc(Br)cn23)cc1Cl	ZINC000098209600	EG	Annotated	Anodyne