COC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000000035847	14/83/21/277148321	BYFPSGIBNPFZOY-QMMMGPOBSA-N	0	267.394	CG	3.268	0	Anodyne	ref	CGAARN	COC(=O)c1c(N)sc2c1CC[C@H](C(C)(C)C)C2	 
COC(=O)c1c(N)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000000035848	51/38/93/284513893	BYFPSGIBNPFZOY-MRVPVSSYSA-N	0	267.394	CG	3.268	0	Anodyne	ref	CGAARN	COC(=O)c1c(N)sc2c1CC[C@@H](C(C)(C)C)C2	 
CC1(C)[C@@H](C(=O)Nc2ccc(F)cc2)CC[C@]1(C)C(=O)O	ZINC000000038571	51/32/77/169513277	MSEIWOOIEJSTAK-MLGOLLRUSA-N	-1	293.338	CG	3.291	0	Anodyne	ref	CGAARM	CC1(C)[C@@H](C(=O)Nc2ccc(F)cc2)CC[C@]1(C)C(=O)[O-]	 
CC1(C)[C@@H](C(=O)Nc2ccc(F)cc2)CC[C@@]1(C)C(=O)O	ZINC000000038572	27/44/34/368274434	MSEIWOOIEJSTAK-WBMJQRKESA-N	-1	293.338	CG	3.291	0	Anodyne	ref	CGAARM	CC1(C)[C@@H](C(=O)Nc2ccc(F)cc2)CC[C@@]1(C)C(=O)[O-]	 
CC1(C)[C@H](C(=O)Nc2ccc(F)cc2)CC[C@]1(C)C(=O)O	ZINC000000038573	27/40/97/368274097	MSEIWOOIEJSTAK-BLLLJJGKSA-N	-1	293.338	CG	3.291	0	Anodyne	ref	CGAARM	CC1(C)[C@H](C(=O)Nc2ccc(F)cc2)CC[C@]1(C)C(=O)[O-]	 
CC1(C)[C@H](C(=O)Nc2ccc(F)cc2)CC[C@@]1(C)C(=O)O	ZINC000000038574	27/42/18/368274218	MSEIWOOIEJSTAK-LRDDRELGSA-N	-1	293.338	CG	3.291	0	Anodyne	ref	CGAARM	CC1(C)[C@H](C(=O)Nc2ccc(F)cc2)CC[C@@]1(C)C(=O)[O-]	 
CC(C)(C)C(=O)Nc1ccc(Br)cc1	ZINC000000073414	13/10/99/277131099	ZXYSRVSPDUSHBX-UHFFFAOYSA-N	0	256.143	CG	3.434	0	Anodyne	ref	CGAARN	CC(C)(C)C(=O)Nc1ccc(Br)cc1	 
O=C(O)COc1ccc2ccccc2c1Br	ZINC000000096485	28/83/87/368288387	KKZQQUCWIZZKDD-UHFFFAOYSA-N	-1	281.105	CG	3.066	0	Anodyne	ref	CGAARM	O=C([O-])COc1ccc2ccccc2c1Br	 
O=C(O)c1ccccc1C(=O)NCCC1=CCCCC1	ZINC000000116299	29/32/59/368293259	DKMDZFHQFSGALS-UHFFFAOYSA-N	-1	273.332	CG	3.005	0	Anodyne	ref	CGAARM	O=C([O-])c1ccccc1C(=O)NCCC1=CCCCC1	 
CC(C)(C)c1cc(Br)ccc1OCC(=O)O	ZINC000000120478	90/54/21/391905421	GCBNGPDJYUPSBS-UHFFFAOYSA-N	-1	287.153	CG	3.21	0	Anodyne	ref	CGAARM	CC(C)(C)c1cc(Br)ccc1OCC(=O)[O-]	in-vivo
COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1	ZINC000000123251	29/62/00/368296200	OMHDGNALXUEDAQ-LBPRGKRZSA-N	0	255.317	CG	3.186	0	Anodyne	ref	CGAARN	COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1	 
COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1	ZINC000000123255	29/60/27/368296027	OMHDGNALXUEDAQ-GFCCVEGCSA-N	0	255.317	CG	3.186	0	Anodyne	ref	CGAARN	COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1	 
CC(C)c1cc(Br)ccc1OCC(=O)O	ZINC000000150873	30/37/24/368303724	UMZGGTFNPCNZAT-UHFFFAOYSA-N	-1	273.126	CG	3.036	0	Anodyne	ref	CGAARM	CC(C)c1cc(Br)ccc1OCC(=O)[O-]	 
Cc1cc(Br)cc(Br)c1O	ZINC000000358475	34/68/13/368346813	XMKVPKGYUXVWEB-UHFFFAOYSA-N	-1	265.932	CG	3.226	3	Anodyne	high	CGAAHM	Cc1cc(Br)cc(Br)c1[O-]	 
Cc1cc(Br)cc(Br)c1O	ZINC000000358475	34/68/11/368346811	XMKVPKGYUXVWEB-UHFFFAOYSA-N	0	265.932	CG	3.226	0	Anodyne	ref	CGAARN	Cc1cc(Br)cc(Br)c1O	 
OC(c1ccccc1)(c1ccccc1)[C@H]1CN2CCC1CC2	ZINC000001298962	79/41/01/326794101	PZMAHNDJABQWGS-IBGZPJMESA-N	1	293.41	CG	3.264	0	Anodyne	ref	CGAARO	OC(c1ccccc1)(c1ccccc1)[C@H]1C[NH+]2CCC1CC2	in-man
OC(c1ccccc1)(c1ccccc1)[C@@H]1CN2CCC1CC2	ZINC000001298963	79/40/25/326794025	PZMAHNDJABQWGS-LJQANCHMSA-N	1	293.41	CG	3.264	0	Anodyne	ref	CGAARO	OC(c1ccccc1)(c1ccccc1)[C@@H]1C[NH+]2CCC1CC2	in-man
CC(C)(C)c1ccc(OCC(=O)O)c(Br)c1	ZINC000001602249	72/34/80/169723480	PJNXDLJWFAAMPA-UHFFFAOYSA-N	-1	287.153	CG	3.21	0	Anodyne	ref	CGAARM	CC(C)(C)c1ccc(OCC(=O)[O-])c(Br)c1	 
COc1ccc(/C=C2/SC(=S)N=C2O)cc1	ZINC000002536867	26/72/51/286267251	ORGCJYCWFZQEFX-RMKNXTFCSA-N	-1	251.332	CG	3.024	1	Anodyne	mid	CGAAMM	COc1ccc(C=C2SC(=S)[N-]C2=O)cc1	 
COc1ccc(/C=C2/SC(=S)N=C2O)cc1	ZINC000002536867	26/72/48/286267248	ORGCJYCWFZQEFX-RMKNXTFCSA-N	0	251.332	CG	3.024	0	Anodyne	ref	CGAARN	COc1ccc(C=C2SC(=S)NC2=O)cc1	 
CN(C)c1ccc(/C=C2/SC(=S)N=C2O)cc1	ZINC000002536884	46/22/98/368462298	JJRVRELEASDUMY-JXMROGBWSA-N	-1	264.375	CG	3.082	1	Clean	mid	CGCAMM	CN(C)c1ccc(C=C2SC(=S)[N-]C2=O)cc1	 
CN(C)c1ccc(/C=C2/SC(=S)N=C2O)cc1	ZINC000002536884	46/22/92/368462292	JJRVRELEASDUMY-JXMROGBWSA-N	0	264.375	CG	3.082	0	Clean	ref	CGCARN	CN(C)c1ccc(C=C2SC(=S)NC2=O)cc1	 
Cc1c(Cl)ccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	ZINC000002571733	95/78/56/300957856	XFHJYHWLYWRLBP-RVBZMBCESA-N	-1	263.724	CG	3.187	0	Clean	ref	CGCARM	Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21	 
CCCCOc1ccc(Br)cc1C(=O)O	ZINC000002584161	46/80/37/368468037	RCXOVWCSSBXAIH-UHFFFAOYSA-N	-1	273.126	CG	3.326	0	Anodyne	ref	CGAARM	CCCCOc1ccc(Br)cc1C(=O)[O-]	 
COc1cc(C=O)cc(Br)c1OCC(C)C	ZINC000002798776	48/04/10/368480410	YWPWPNLQVJBLEZ-UHFFFAOYSA-N	0	287.153	CG	3.305	0	Anodyne	ref	CGAARN	COc1cc(C=O)cc(Br)c1OCC(C)C	 
CC(C)COc1ccc(Br)cc1C(=O)O	ZINC000002890993	48/38/23/368483823	IRNNDNQWGQNULE-UHFFFAOYSA-N	-1	273.126	CG	3.182	0	Anodyne	ref	CGAARM	CC(C)COc1ccc(Br)cc1C(=O)[O-]	 
Cc1c(Cl)ccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21	ZINC000003684596	95/78/27/300957827	XFHJYHWLYWRLBP-ZDMBXUJBSA-N	-1	263.724	CG	3.187	0	Clean	ref	CGCARM	Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21	 
Cc1c(Cl)ccc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21	ZINC000004234940	92/04/93/391920493	XFHJYHWLYWRLBP-MWODSPESSA-N	-1	263.724	CG	3.187	0	Clean	ref	CGCARM	Cc1c(Cl)ccc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21	 
Cc1c(Cl)ccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21	ZINC000004234941	95/79/03/300957903	XFHJYHWLYWRLBP-RWEMILLDSA-N	-1	263.724	CG	3.187	0	Clean	ref	CGCARM	Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	 
Cc1c(Cl)ccc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21	ZINC000004234942	95/80/44/300958044	XFHJYHWLYWRLBP-IGJMFERPSA-N	-1	263.724	CG	3.187	0	Clean	ref	CGCARM	Cc1c(Cl)ccc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21	 
O=C(Cc1ccc(Cl)cc1)NC1CCCCC1	ZINC000004685342	55/69/91/368556991	CVCRWJYFRCELTC-UHFFFAOYSA-N	0	251.757	CG	3.331	0	Anodyne	ref	CGAARN	O=C(Cc1ccc(Cl)cc1)NC1CCCCC1	 
Cc1ccc(S(=O)(=O)OCCCc2ccccc2)cc1	ZINC000004800761	01/92/17/170019217	PNTNYXPTUOOGOK-UHFFFAOYSA-N	0	290.384	CG	3.333	0	Mild	ref	CGEARN	Cc1ccc(S(=O)(=O)OCCCc2ccccc2)cc1	 
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(F)cc2)c1	ZINC000005273529	56/20/60/368562060	BZFOIXXBYDIQTE-OVCLIPMQSA-N	0	260.224	CG	3.19	2	Mild	low	CGEALN	O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(F)cc2)c1	 
O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(F)cc2)c1	ZINC000005273529	56/20/52/368562052	BZFOIXXBYDIQTE-OVCLIPMQSA-N	-1	260.224	CG	3.19	0	Mild	ref	CGEARM	O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(F)cc2)c1	 
CCCCOc1ccc(C(=O)O)cc1Br	ZINC000006742938	23/86/28/170238628	BVBNHQFKCXIFBR-UHFFFAOYSA-N	-1	273.126	CG	3.326	0	Anodyne	ref	CGAARM	CCCCOc1ccc(C(=O)[O-])cc1Br	 
CCN(CC)C(=O)Nc1ccccc1C(=O)N(CC)CC	ZINC000007263544	27/42/91/170274291	PMGUCGCSAKGMRH-UHFFFAOYSA-N	0	291.395	CG	3.042	0	Anodyne	ref	CGAARN	CCN(CC)C(=O)Nc1ccccc1C(=O)N(CC)CC	 
CC(C)COc1ccc(C(=O)O)cc1Br	ZINC000008722872	34/92/89/170349289	NTAPCKAPRLFNDG-UHFFFAOYSA-N	-1	273.126	CG	3.182	0	Anodyne	ref	CGAARM	CC(C)COc1ccc(C(=O)[O-])cc1Br	 
CC(C)[C@H](C(=O)NCCc1ccccc1)n1cccc1	ZINC000008723245	34/95/06/170349506	KZMQXBYZHFBWFN-MRXNPFEDSA-N	0	270.376	CG	3.044	0	Anodyne	ref	CGAARN	CC(C)[C@H](C(=O)NCCc1ccccc1)n1cccc1	 
CC(C)[C@@H](C(=O)NCc1ccccc1)n1cccc1	ZINC000008905532	35/82/18/170358218	YTSXIYQCUWWMFK-HNNXBMFYSA-N	0	256.349	CG	3.002	0	Anodyne	ref	CGAARN	CC(C)[C@@H](C(=O)NCc1ccccc1)n1cccc1	 
CC(C)[C@H](C(=O)NCc1ccccc1)n1cccc1	ZINC000008905533	35/80/44/170358044	YTSXIYQCUWWMFK-OAHLLOKOSA-N	0	256.349	CG	3.002	0	Anodyne	ref	CGAARN	CC(C)[C@H](C(=O)NCc1ccccc1)n1cccc1	 
O=C(O)COc1c(Cl)cc(Cl)cc1Br	ZINC000008905545	35/85/48/170358548	VILOYBNGPGKGET-UHFFFAOYSA-N	-1	299.935	CG	3.219	0	Anodyne	ref	CGAARM	O=C([O-])COc1c(Cl)cc(Cl)cc1Br	 
CC[C@@H](C)c1ccc(OCC(=O)O)c(Br)c1	ZINC000009230393	36/75/66/170367566	GIPLHUGPRXWFTG-MRVPVSSYSA-N	-1	287.153	CG	3.426	0	Anodyne	ref	CGAARM	CC[C@@H](C)c1ccc(OCC(=O)[O-])c(Br)c1	 
CC[C@H](C)c1ccc(OCC(=O)O)c(Br)c1	ZINC000009230394	36/75/58/170367558	GIPLHUGPRXWFTG-QMMMGPOBSA-N	-1	287.153	CG	3.426	0	Anodyne	ref	CGAARM	CC[C@H](C)c1ccc(OCC(=O)[O-])c(Br)c1	 
CC(C)[C@@H](C(=O)NCCc1ccccc1)n1cccc1	ZINC000012137311	60/39/89/368603989	KZMQXBYZHFBWFN-INIZCTEOSA-N	0	270.376	CG	3.044	0	Anodyne	ref	CGAARN	CC(C)[C@@H](C(=O)NCCc1ccccc1)n1cccc1	 
O=C(OCCCc1ccccc1)c1cccc(O)c1	ZINC000012137873	60/36/51/368603651	YIRVGCWBPCGFEC-UHFFFAOYSA-N	0	256.301	CG	3.182	0	Anodyne	ref	CGAARN	O=C(OCCCc1ccccc1)c1cccc(O)c1	 
Cc1c(Cl)ccc2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21	ZINC000012138201	95/79/17/300957917	XFHJYHWLYWRLBP-KKFJDGPESA-N	-1	263.724	CG	3.187	0	Clean	ref	CGCARM	Cc1c(Cl)ccc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21	 
C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N)cc1	ZINC000019736536	76/32/67/368763267	MJQZLXXNBPCMCV-SNVBAGLBSA-N	0	290.75	CG	3.328	0	Clean	ref	CGCARN	C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N)cc1	 
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N)cc1	ZINC000019736537	76/27/90/368762790	MJQZLXXNBPCMCV-JTQLQIEISA-N	0	290.75	CG	3.328	0	Clean	ref	CGCARN	C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(N)cc1	 
COc1ccc([C@@](C#N)(CCC#N)C(C)C)cc1OC	ZINC000034109759	97/26/06/368972606	RSTPHKRGPMBLJJ-MRXNPFEDSA-N	0	272.348	CG	3.425	0	Mild	ref	CGEARN	COc1ccc([C@@](C#N)(CCC#N)C(C)C)cc1OC	 
COc1ccc([C@](C#N)(CCC#N)C(C)C)cc1OC	ZINC000034109761	83/10/89/171831089	RSTPHKRGPMBLJJ-INIZCTEOSA-N	0	272.348	CG	3.425	0	Mild	ref	CGEARN	COc1ccc([C@](C#N)(CCC#N)C(C)C)cc1OC	 
COC(=O)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O	ZINC000034150857	83/26/40/171832640	NHCQXGMKPONWTA-TWGQIWQCSA-N	0	297.719	CG	3.143	0	Anodyne	ref	CGAARN	COC(=O)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O	 
CC[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1	ZINC000057476742	53/95/07/369539507	FCLAAKQIHWIKQY-WFVVYAPDSA-N	1	287.403	CG	3.349	1	Anodyne	mid	CGAAMO	CC[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)[N@H+]2C)c1ccccc1	 
CC[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1	ZINC000057476742	53/95/03/369539503	FCLAAKQIHWIKQY-WFVVYAPDSA-N	1	287.403	CG	3.349	0	Anodyne	ref	CGAARO	CC[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)[N@@H+]2C)c1ccccc1	 
CC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1	ZINC000057476743	59/65/31/175596531	FCLAAKQIHWIKQY-FCLJQHQZSA-N	1	287.403	CG	3.349	1	Anodyne	mid	CGAAMO	CC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)[N@H+]2C)c1ccccc1	 
CC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1	ZINC000057476743	59/65/29/175596529	FCLAAKQIHWIKQY-FCLJQHQZSA-N	1	287.403	CG	3.349	0	Anodyne	ref	CGAARO	CC[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)[N@@H+]2C)c1ccccc1	 
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C	ZINC000085205451	74/47/64/345744764	VIKNJXKGJWUCNN-XGXHKTLJSA-N	0	298.426	CG	3.493	0	Mild	ref	CGEARN	C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C	fda