Cn1ncc(I)c1C(=O)O	ZINC000000035823	05/02/96/303050296	SZRMOKQNOJYMNK-UHFFFAOYSA-N	-1	252.011	CC	0.723	0	Anodyne	ref	CCAARM	Cn1ncc(I)c1C(=O)[O-]	 
Nc1nnc(SCC(=O)N2CCOCC2)s1	ZINC000000036118	93/64/18/347936418	TUWNOEQXKYKZMJ-UHFFFAOYSA-N	0	260.344	CC	0.071	0	Anodyne	ref	CCAARN	Nc1nnc(SCC(=O)N2CCOCC2)s1	 
CC(=O)N[C@@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000047211	93/72/07/347937207	MXTCOGZRSFDQTK-JTQLQIEISA-N	0	252.226	CC	0.274	0	Bother	ref	CCBARN	CC(=O)N[C@@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1	 
CC(=O)N[C@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000047212	93/71/91/347937191	MXTCOGZRSFDQTK-SNVBAGLBSA-N	0	252.226	CC	0.274	0	Bother	ref	CCBARN	CC(=O)N[C@H](CO)C(=O)c1ccc([N+](=O)[O-])cc1	 
COc1cc(C(=O)NCC(=O)O)cc(OC)c1OC	ZINC000000047616	51/67/99/169516799	LPQDWMLZTWHXOE-UHFFFAOYSA-N	-1	269.253	CC	0.527	0	Anodyne	ref	CCAARM	COc1cc(C(=O)NCC(=O)[O-])cc(OC)c1OC	 
Cn1cc(I)c(C(=O)O)n1	ZINC000000049157	91/41/06/302914106	UQPXGRAYQOWZOD-UHFFFAOYSA-N	-1	252.011	CC	0.723	0	Anodyne	ref	CCAARM	Cn1cc(I)c(C(=O)[O-])n1	 
Cc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1	ZINC000000050252	93/75/49/347937549	YKGREWFELUYSRN-UHFFFAOYSA-N	0	284.366	CC	0.907	0	Anodyne	ref	CCAARN	Cc1ccc(S(=O)(=O)NCc2nnc(N)s2)cc1	 
NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000056364	93/72/14/347937214	CJPWGCDTJPQHCT-UHFFFAOYSA-N	1	270.354	CC	0.209	0	Anodyne	ref	CCAARO	[NH3+]CCc1ccc(S(=O)(=O)N2CCOCC2)cc1	 
O=C(O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000056710	05/75/98/304057598	FEFFSKLJNYRHQN-VIFPVBQESA-N	-2	277.232	CC	0.601	0	Anodyne	ref	CCAARL	O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	aggregator in-vitro
O=C(O)CC[C@H](C(=O)O)N1C(=O)c2ccccc2C1=O	ZINC000000056711	06/08/53/304060853	FEFFSKLJNYRHQN-SECBINFHSA-N	-2	277.232	CC	0.601	0	Anodyne	ref	CCAARL	O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O	in-vitro
O=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1	ZINC000000056865	52/02/61/169520261	AYSUEIZKNBGWGN-VIFPVBQESA-N	-1	264.237	CC	0.802	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1	 
CNC(=O)OCc1cccc(COC(=O)NC)n1	ZINC000000057462	93/72/65/347937265	YEKQSSHBERGOJK-UHFFFAOYSA-N	0	253.258	CC	0.794	0	Anodyne	ref	CCAARN	CNC(=O)OCc1cccc(COC(=O)NC)n1	in-man
O=C(O)CCNS(=O)(=O)c1cccc2nsnc12	ZINC000000088468	93/90/44/347939044	MRJJNXSJOOEQAA-UHFFFAOYSA-N	-1	287.322	CC	0.444	0	Anodyne	ref	CCAARM	O=C([O-])CCNS(=O)(=O)c1cccc2nsnc12	 
O=C(O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	ZINC000000113117	54/03/79/169540379	QPPHUXXOFJHSIQ-VIFPVBQESA-N	-1	263.249	CC	0.848	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	 
O=C(O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	ZINC000000113119	54/01/78/169540178	QPPHUXXOFJHSIQ-SECBINFHSA-N	-1	263.249	CC	0.848	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1	 
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000000120319	35/53/34/295355334	SEEPANYCNGTZFQ-UHFFFAOYSA-N	0	250.283	CC	0.86	1	Anodyne	mid	CCAAMN	Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	fda
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000000120319	35/53/30/295355330	SEEPANYCNGTZFQ-UHFFFAOYSA-N	-1	250.283	CC	0.86	0	Anodyne	ref	CCAARM	Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	fda
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1	ZINC000000122596	94/02/16/347940216	JUSWZYFYLXTMLJ-JTQLQIEISA-N	-1	255.295	CC	0.924	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccccc1	in-vitro biogenic
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccccc1	ZINC000000122602	94/01/87/347940187	JUSWZYFYLXTMLJ-SNVBAGLBSA-N	-1	255.295	CC	0.924	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1	in-vitro biogenic
Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)O)ccc12	ZINC000000139291	94/02/27/347940227	UVCYYTDPGVNBKH-UHFFFAOYSA-N	-1	291.259	CC	0.681	0	Anodyne	ref	CCAARM	Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)[O-])ccc12	 
O=C(Nc1cccc(Cl)c1)NC(CO)(CO)CO	ZINC000000140788	55/16/28/169551628	BTKTXJRUNOTIKU-UHFFFAOYSA-N	0	274.704	CC	0.177	0	Anodyne	ref	CCAARN	O=C(Nc1cccc(Cl)c1)NC(CO)(CO)CO	 
COC(=O)c1ccccc1N1C[C@@H](C(=O)O)CC1=O	ZINC000000151466	94/06/36/347940636	IJASNKPEYJIWPN-QMMMGPOBSA-N	-1	263.249	CC	0.911	0	Anodyne	ref	CCAARM	COC(=O)c1ccccc1N1C[C@@H](C(=O)[O-])CC1=O	 
COC(=O)c1ccccc1N1C[C@H](C(=O)O)CC1=O	ZINC000000151467	94/09/09/347940909	IJASNKPEYJIWPN-MRVPVSSYSA-N	-1	263.249	CC	0.911	0	Anodyne	ref	CCAARM	COC(=O)c1ccccc1N1C[C@H](C(=O)[O-])CC1=O	 
O=C(O)CCCC(=O)N1CCN(c2ccccn2)CC1	ZINC000000152847	52/12/35/134521235	VWJSKYWONUUYBB-UHFFFAOYSA-N	0	277.324	CC	0.985	2	Anodyne	low	CCAALN	O=C([O-])CCCC(=O)N1CCN(c2cccc[nH+]2)CC1	 
O=C(O)CCCC(=O)N1CCN(c2ccccn2)CC1	ZINC000000152847	52/12/33/134521233	VWJSKYWONUUYBB-UHFFFAOYSA-N	-1	277.324	CC	0.985	0	Anodyne	ref	CCAARM	O=C([O-])CCCC(=O)N1CCN(c2ccccn2)CC1	 
COC(=O)c1ccccc1C(=O)N1C[C@@H](O)CO1	ZINC000000169061	56/16/17/169561617	RWKNVCIZFHCRKR-MRVPVSSYSA-N	0	251.238	CC	0.221	0	Anodyne	ref	CCAARN	COC(=O)c1ccccc1C(=O)N1C[C@@H](O)CO1	 
COC(=O)c1ccccc1C(=O)N1C[C@H](O)CO1	ZINC000000169064	94/09/99/347940999	RWKNVCIZFHCRKR-QMMMGPOBSA-N	0	251.238	CC	0.221	0	Anodyne	ref	CCAARN	COC(=O)c1ccccc1C(=O)N1C[C@H](O)CO1	 
COC(=O)c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1	ZINC000000209646	94/24/60/347942460	GJIJKYKQCXKFFX-UHFFFAOYSA-N	0	294.263	CC	0.854	0	Bother	ref	CCBARN	COC(=O)c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1	 
COc1ccc(N([C@@H](C)C(=O)O)S(C)(=O)=O)cc1	ZINC000000211448	94/26/17/347942617	XQVIJJARWJWZEB-QMMMGPOBSA-N	-1	273.31	CC	0.934	0	Anodyne	ref	CCAARM	COc1ccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)cc1	 
COc1ccc(N([C@H](C)C(=O)O)S(C)(=O)=O)cc1	ZINC000000211450	94/24/99/347942499	XQVIJJARWJWZEB-MRVPVSSYSA-N	-1	273.31	CC	0.934	0	Anodyne	ref	CCAARM	COc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1	 
COc1ccc(S(=O)(=O)NCCC(=O)O)cc1	ZINC000000215964	94/25/97/347942597	KBHUTIQWIYFYFA-UHFFFAOYSA-N	-1	259.283	CC	0.448	0	Anodyne	ref	CCAARM	COc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	 
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)O)cc1	ZINC000000216088	94/24/55/347942455	WJPNHFVXBVQRJG-UHFFFAOYSA-N	-1	286.309	CC	0.398	0	Anodyne	ref	CCAARM	CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	 
O=C(O)C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1	ZINC000000224248	57/98/09/169579809	IXNULTKZCDKNME-UHFFFAOYSA-N	-1	250.254	CC	0.312	0	Anodyne	ref	CCAARM	O=C([O-])C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1	 
O=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000225556	94/25/08/347942508	IGXVSENNUSQCOL-UHFFFAOYSA-N	-1	271.294	CC	0.406	0	Anodyne	ref	CCAARM	O=C([O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1	 
O=C(O)c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000000227008	94/26/53/347942653	LYGWBPDKDLWHHB-UHFFFAOYSA-N	-1	271.294	CC	0.406	0	Anodyne	ref	CCAARM	O=C([O-])c1cccc(S(=O)(=O)N2CCOCC2)c1	 
O=C(O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	ZINC000000257552	94/31/23/347943123	YCAZLVRLLIGVAA-UHFFFAOYSA-N	-1	289.284	CC	0.545	0	Anodyne	ref	CCAARM	O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1F	 
CC1CCN(S(=O)(=O)N2CCC(C(=O)O)CC2)CC1	ZINC000000259627	58/98/91/169589891	ZCPDNHYCKFESLN-UHFFFAOYSA-N	-1	290.385	CC	0.76	0	Anodyne	ref	CCAARM	CC1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1	 
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000000264969	94/30/21/347943021	NHTQCMVKWAKECO-ZETCQYMHSA-N	-1	261.324	CC	0.986	0	Anodyne	ref	CCAARM	O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccs1	 
O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000000264977	18/82/36/304188236	NHTQCMVKWAKECO-SSDOTTSWSA-N	-1	261.324	CC	0.986	0	Anodyne	ref	CCAARM	O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccs1	 
CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)O)ccc21	ZINC000000265087	94/33/94/347943394	PWTILJQVZSJQRY-UHFFFAOYSA-N	-1	297.332	CC	0.844	0	Anodyne	ref	CCAARM	CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)[O-])ccc21	 
NNS(=O)(=O)c1ccc(Br)cc1	ZINC000000265640	27/96/57/295279657	UXGNIMVLJMBZGY-UHFFFAOYSA-N	0	251.105	CC	0.601	0	Anodyne	ref	CCAARN	NNS(=O)(=O)c1ccc(Br)cc1	 
COc1cc(/C=C/C(=O)O)ccc1OCC(N)=O	ZINC000000266023	59/20/23/169592023	ZDPCLIUSUWFDLB-HWKANZROSA-N	-1	251.238	CC	0.657	0	Anodyne	ref	CCAARM	COc1cc(/C=C/C(=O)[O-])ccc1OCC(N)=O	 
CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)O	ZINC000000266079	52/45/68/295524568	IMIKNCFPHJZMGM-JTQLQIEISA-N	-1	255.295	CC	0.457	0	Anodyne	ref	CCAARM	CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	 
CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)O	ZINC000000266085	52/42/94/295524294	IMIKNCFPHJZMGM-SNVBAGLBSA-N	-1	255.295	CC	0.457	0	Anodyne	ref	CCAARM	CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-]	 
CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1	ZINC000000266549	94/34/90/347943490	MQMVOCWCDBOYOM-UHFFFAOYSA-N	0	253.283	CC	0.565	0	Anodyne	ref	CCAARN	CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1	 
CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000000309292	94/43/79/347944379	WCDVWVQYBVCCST-UHFFFAOYSA-N	0	256.327	CC	0.573	0	Anodyne	ref	CCAARN	CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1	 
COC(=O)CN(c1ccccc1OC)S(C)(=O)=O	ZINC000000316230	94/47/48/347944748	MGSXCHIWGCYBQM-UHFFFAOYSA-N	0	273.31	CC	0.634	0	Anodyne	ref	CCAARN	COC(=O)CN(c1ccccc1OC)S(C)(=O)=O	 
COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000000321191	94/49/09/347944909	AENFSNKXDAZGCB-UHFFFAOYSA-N	0	285.321	CC	0.494	0	Anodyne	ref	CCAARN	COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	 
COC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	ZINC000000379283	94/57/24/347945724	WENXBAUUFPUETB-UHFFFAOYSA-N	0	287.337	CC	0.943	0	Anodyne	ref	CCAARN	COC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	 
COc1ccc(C)cc1N(CC(=O)O)S(C)(=O)=O	ZINC000000379311	94/57/79/347945779	GMRVOGGLRJKCGD-UHFFFAOYSA-N	-1	273.31	CC	0.854	0	Anodyne	ref	CCAARM	COc1ccc(C)cc1N(CC(=O)[O-])S(C)(=O)=O	 
COC(=O)CN(c1ccccc1C)S(C)(=O)=O	ZINC000000379497	62/35/73/169623573	OBYNWLDOZDZPRL-UHFFFAOYSA-N	0	257.311	CC	0.934	0	Anodyne	ref	CCAARN	COC(=O)CN(c1ccccc1C)S(C)(=O)=O	 
COC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	ZINC000000379955	94/56/67/347945667	JUZLAFVLDPHHMC-UHFFFAOYSA-N	0	273.31	CC	0.634	0	Anodyne	ref	CCAARN	COC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O	 
COC(=O)CN(c1cccc(F)c1)S(C)(=O)=O	ZINC000000382490	94/56/60/347945660	DKQHIVOFEHLJPM-UHFFFAOYSA-N	0	261.274	CC	0.765	0	Anodyne	ref	CCAARN	COC(=O)CN(c1cccc(F)c1)S(C)(=O)=O	 
COC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O	ZINC000000440162	94/76/10/347947610	FJNDWFRULUAVSE-UHFFFAOYSA-N	0	257.311	CC	0.934	0	Anodyne	ref	CCAARN	COC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O	 
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C=CC2=O)c1	ZINC000000462889	94/81/18/347948118	QZCCNDIHBWMEHD-UHFFFAOYSA-N	0	289.243	CC	0.689	0	Anodyne	ref	CCAARN	COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C=CC2=O)c1	 
COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000000468909	94/82/00/347948200	MSJGVMRFISZODF-UHFFFAOYSA-N	0	288.281	CC	0.534	0	Bother	ref	CCBARN	COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	 
O=C1O[C@H](N2C(=O)CC[C@@H]2C(=O)O)c2ccccc21	ZINC000000488877	17/62/19/304176219	BBYDVCBRFNLCJZ-KOLCDFICSA-N	-1	261.233	CC	0.931	0	Anodyne	ref	CCAARM	O=C1O[C@H](N2C(=O)CC[C@@H]2C(=O)[O-])c2ccccc21	 
O=C1O[C@@H](N2C(=O)CC[C@@H]2C(=O)O)c2ccccc21	ZINC000000488878	17/61/97/304176197	BBYDVCBRFNLCJZ-MWLCHTKSSA-N	-1	261.233	CC	0.931	0	Anodyne	ref	CCAARM	O=C1O[C@@H](N2C(=O)CC[C@@H]2C(=O)[O-])c2ccccc21	 
CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1	ZINC000000538892	95/01/19/347950119	DFLQDPGZILSRHW-UHFFFAOYSA-N	0	255.343	CC	0.35	0	Clean	ref	CCCARN	CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1	 
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(C)(=O)=O	ZINC000000555115	95/01/12/347950112	TVWLZPZRTGQSBY-UHFFFAOYSA-N	-1	288.281	CC	0.754	0	Bother	ref	CCBARM	Cc1ccc([N+](=O)[O-])cc1N(CC(=O)[O-])S(C)(=O)=O	 
CS(=O)(=O)N1CCN(c2ccccc2N)CC1	ZINC000000555847	94/96/96/347949696	BWTBCZJEEYEADG-UHFFFAOYSA-N	0	255.343	CC	0.35	0	Anodyne	ref	CCAARN	CS(=O)(=O)N1CCN(c2ccccc2N)CC1	 
COC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	ZINC000000581947	95/06/48/347950648	APBFMKXLABDIGZ-UHFFFAOYSA-N	0	287.293	CC	0.354	0	Anodyne	ref	CCAARN	COC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	 
COC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	ZINC000000582517	95/07/64/347950764	HLUYQROQCBEXPR-UHFFFAOYSA-N	0	285.321	CC	0.828	0	Anodyne	ref	CCAARN	COC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	 
CN1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1	ZINC000000796452	95/17/45/347951745	VJVSNPXBBRHNRF-UHFFFAOYSA-N	0	284.337	CC	0.321	2	Anodyne	low	CCAALN	C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	 
CN1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1	ZINC000000796452	95/17/41/347951741	VJVSNPXBBRHNRF-UHFFFAOYSA-N	-1	284.337	CC	0.321	0	Anodyne	ref	CCAARM	CN1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	 
COC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	ZINC000000824363	95/14/27/347951427	DBGYURZBDGIZQU-UHFFFAOYSA-N	0	261.274	CC	0.765	0	Anodyne	ref	CCAARN	COC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O	 
Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	ZINC000000874830	95/26/85/347952685	OJMPLCRVIRCWAV-SNVBAGLBSA-N	0	256.327	CC	0.726	0	Anodyne	ref	CCAARN	Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	 
Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	ZINC000000874832	95/20/90/347952090	OJMPLCRVIRCWAV-JTQLQIEISA-N	0	256.327	CC	0.726	0	Anodyne	ref	CCAARN	Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	 
COc1ccc(N(CC(=O)O)S(C)(=O)=O)cc1OC	ZINC000000972066	95/23/07/347952307	FJWTZYYUIYSFDV-UHFFFAOYSA-N	-1	289.309	CC	0.554	0	Anodyne	ref	CCAARM	COc1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1OC	 
Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1	ZINC000001013285	75/35/90/388753590	FGOUZHWQYGHHTB-UHFFFAOYSA-N	0	267.314	CC	0.235	0	Anodyne	ref	CCAARN	Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1	 
Cc1c(N)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000001058265	95/36/41/347953641	RQVOKXDGGGUFAE-UHFFFAOYSA-N	0	265.269	CC	0.958	0	Bother	ref	CCBARN	Cc1c(N)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	 
O=C(COc1cccc([N+](=O)[O-])c1)N1CCOCC1	ZINC000001061677	95/31/84/347953184	FWLAPZFEDJOVRS-UHFFFAOYSA-N	0	266.253	CC	0.832	0	Bother	ref	CCBARN	O=C(COc1cccc([N+](=O)[O-])c1)N1CCOCC1	 
O=C(O)CN(CC(=O)O)c1ccc2cccc(O)c2n1	ZINC000001233325	95/32/75/347953275	YPMBBQGUFPTHLZ-UHFFFAOYSA-N	-1	276.248	CC	0.916	2	Anodyne	low	CCAALM	O=C([O-])CN(CC(=O)[O-])c1ccc2cccc(O)c2[nH+]1	 
O=C(O)CN(CC(=O)O)c1ccc2cccc(O)c2n1	ZINC000001233325	95/32/73/347953273	YPMBBQGUFPTHLZ-UHFFFAOYSA-N	-2	276.248	CC	0.916	0	Anodyne	ref	CCAARL	O=C([O-])CN(CC(=O)[O-])c1ccc2cccc(O)c2n1	 
COc1cc([C@H](N)CC(=O)O)ccc1OCC(N)=O	ZINC000001235001	95/32/92/347953292	IXNFIEZDVQLKFQ-MRVPVSSYSA-N	0	268.269	CC	0.034	0	Anodyne	ref	CCAARN	COc1cc([C@H]([NH3+])CC(=O)[O-])ccc1OCC(N)=O	 
COc1cc([C@@H](N)CC(=O)O)ccc1OCC(N)=O	ZINC000001235002	95/35/40/347953540	IXNFIEZDVQLKFQ-QMMMGPOBSA-N	0	268.269	CC	0.034	0	Anodyne	ref	CCAARN	COc1cc([C@@H]([NH3+])CC(=O)[O-])ccc1OCC(N)=O	 
CS(=O)(=O)N1C[C@@H](C(=O)O)Oc2ccc(Cl)cc21	ZINC000001399645	95/50/44/347955044	DBLMTKDBFGZVBA-VIFPVBQESA-N	-1	291.712	CC	0.952	0	Anodyne	ref	CCAARM	CS(=O)(=O)N1C[C@@H](C(=O)[O-])Oc2ccc(Cl)cc21	 
CS(=O)(=O)N1C[C@H](C(=O)O)Oc2ccc(Cl)cc21	ZINC000001399648	95/50/81/347955081	DBLMTKDBFGZVBA-SECBINFHSA-N	-1	291.712	CC	0.952	0	Anodyne	ref	CCAARM	CS(=O)(=O)N1C[C@H](C(=O)[O-])Oc2ccc(Cl)cc21	 
COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1N	ZINC000001422621	70/41/17/169704117	MSRAJCZQZJXDGV-SNVBAGLBSA-N	0	284.337	CC	0.595	0	Anodyne	ref	CCAARN	COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1N	 
COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1N	ZINC000001422622	95/51/27/347955127	MSRAJCZQZJXDGV-JTQLQIEISA-N	0	284.337	CC	0.595	0	Anodyne	ref	CCAARN	COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1N	 
COC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000001426108	95/49/71/347954971	VHJRACHSJZCPDB-UHFFFAOYSA-N	0	285.321	CC	0.679	0	Anodyne	ref	CCAARN	COC(=O)COc1ccc(S(=O)(=O)NC2CC2)cc1	 
COc1cc(C2=NC(CO)(CO)CO2)cc(OC)c1OC	ZINC000001431484	70/49/68/169704968	IAGBEULSQUKXHT-UHFFFAOYSA-N	0	297.307	CC	0.213	0	Anodyne	ref	CCAARN	COc1cc(C2=NC(CO)(CO)CO2)cc(OC)c1OC	 
Cc1cc(OCC(=O)N2CCOCC2)ccc1N	ZINC000001431530	70/50/75/169705075	YRTQMZLOEWFCAT-UHFFFAOYSA-N	0	250.298	CC	0.815	0	Anodyne	ref	CCAARN	Cc1cc(OCC(=O)N2CCOCC2)ccc1N	 
Cn1c(=O)c2cc(Br)ccc2n(C)c1=O	ZINC000001431546	31/69/26/279316926	FGSNYLHKLUUNQB-UHFFFAOYSA-N	0	269.098	CC	1.0	0	Anodyne	ref	CCAARN	Cn1c(=O)c2cc(Br)ccc2n(C)c1=O	 
CC(C)(CO)NC1=NS(=O)(=O)c2ccccc21	ZINC000001461773	95/61/23/347956123	WNZPODAUNNQYLP-UHFFFAOYSA-N	0	254.311	CC	0.496	0	Anodyne	ref	CCAARN	CC(C)(CO)NC1=NS(=O)(=O)c2ccccc21	 
N[C@H](CCCCNC(=O)c1ccccc1)C(=O)O	ZINC000001576209	95/73/25/347957325	KODLJWKGAKBGOB-LLVKDONJSA-N	0	250.298	CC	0.999	0	Anodyne	ref	CCAARN	[NH3+][C@H](CCCCNC(=O)c1ccccc1)C(=O)[O-]	 
CC(C)(C)OC(=O)N[C@@H](CCCNC(=N)N)C(=O)O	ZINC000001576309	95/72/31/347957231	HSQIYOPBCOPMSS-ZETCQYMHSA-N	0	274.321	CC	0.228	0	Anodyne	ref	CCAARN	CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-]	 
CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001595219	95/80/60/347958060	FGQTXDKZTAZFRS-UHFFFAOYSA-N	0	252.226	CC	0.888	0	Bother	ref	CCBARN	CCOC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	 
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCOCC1	ZINC000001604727	61/76/79/284617679	KKSXPSGNMCINHN-UHFFFAOYSA-N	0	281.224	CC	0.975	0	Bother	ref	CCBARN	O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCOCC1	 
N[C@@H](CCCCNC(=O)c1ccccc1)C(=O)O	ZINC000001653057	95/97/85/347959785	KODLJWKGAKBGOB-NSHDSACASA-N	0	250.298	CC	0.999	0	Anodyne	ref	CCAARN	[NH3+][C@@H](CCCCNC(=O)c1ccccc1)C(=O)[O-]	 
O=C(O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000001655961	95/97/66/347959766	VFRCXEHNAFUTQC-UHFFFAOYSA-N	-1	266.253	CC	0.114	0	Anodyne	ref	CCAARM	O=C([O-])CNC(=O)CNC(=O)OCc1ccccc1	 
N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O	ZINC000001677520	21/97/48/303219748	RSYYQCDERUOEFI-JTQLQIEISA-N	0	278.312	CC	0.133	0	Anodyne	ref	CCAARN	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-]	in-vitro
CC(C)COC(=O)[C@@H](O)[C@H](O)C(=O)OCC(C)C	ZINC000001682733	74/11/06/169741106	ONZOGXRINCURBP-UWVGGRQHSA-N	0	262.302	CC	0.107	0	Anodyne	ref	CCAARN	CC(C)COC(=O)[C@@H](O)[C@H](O)C(=O)OCC(C)C	 
CC(C)COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(C)C	ZINC000001682734	96/07/03/347960703	ONZOGXRINCURBP-NXEZZACHSA-N	0	262.302	CC	0.107	0	Anodyne	ref	CCAARN	CC(C)COC(=O)[C@H](O)[C@@H](O)C(=O)OCC(C)C	 
NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O	ZINC000001689810	96/06/21/347960621	FUCKRCGERFLLHP-VIFPVBQESA-N	-1	266.253	CC	0.241	0	Anodyne	ref	CCAARM	NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	 
O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O	ZINC000001700285	74/46/82/169744682	XYXYXSKSTZAEJW-VIFPVBQESA-N	-2	267.237	CC	0.841	0	Anodyne	ref	CCAARL	O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	in-vitro
NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000001708201	96/08/65/347960865	AJHCSUXXECOXOY-NSHDSACASA-N	-1	261.281	CC	0.239	3	Anodyne	high	CCAAHM	NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	in-man endogenous
NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	ZINC000001708201	96/08/62/347960862	AJHCSUXXECOXOY-NSHDSACASA-N	0	261.281	CC	0.239	0	Anodyne	ref	CCAARN	[NH3+]CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	in-man endogenous
O=C(O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	ZINC000001758360	96/23/69/347962369	NOJZBJAFCSWMKC-VIFPVBQESA-N	-2	296.235	CC	0.643	0	Bother	ref	CCBARL	O=C([O-])CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-]	 
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)O)N1	ZINC000001871561	41/16/41/574411641	ZWMZDKZTZLGVRQ-MWLCHTKSSA-N	-1	260.249	CC	0.892	1	Anodyne	mid	CCAAMM	O=C([O-])[C@H]1Cc2c([nH]c3ccccc23)[C@H](C(=O)[O-])[NH2+]1	in-man endogenous