O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000538330	24/99/02/209249902	XBHBWNFJWIASRO-UHFFFAOYSA-N	-1	385.37	GE	2.377	3	Anodyne	high	GEAAHM	O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O	in-man endogenous
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000538330	24/98/97/209249897	XBHBWNFJWIASRO-UHFFFAOYSA-N	0	385.37	GE	2.377	0	Anodyne	ref	GEAARN	O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	in-man endogenous
COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1	ZINC000000821341	26/90/80/209269080	HUOUVAHYWHHMQZ-UHFFFAOYSA-N	0	379.434	GE	2.381	0	Anodyne	ref	GEAARN	COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)cc1	 
COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	ZINC000000869680	32/87/27/206328727	BHMNSWYZBNVHKV-UHFFFAOYSA-N	0	379.434	GE	2.381	0	Anodyne	ref	GEAARN	COC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	 
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)O)CC1	ZINC000003882132	02/12/38/204021238	VXHNQGJCBYKWFP-INIZCTEOSA-N	-1	376.453	GE	2.446	0	Anodyne	ref	GEAARM	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1	 
CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1	ZINC000003882133	45/58/84/209455884	FKCVTDVCCAOPGT-INIZCTEOSA-N	-1	376.453	GE	2.446	0	Anodyne	ref	GEAARM	CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	 
Nc1c(I)cc(I)cc1C(=O)O	ZINC000004271976	51/29/25/531512925	RFIBDMCPIREZKC-UHFFFAOYSA-N	-1	388.93	GE	2.176	0	Anodyne	ref	GEAARM	Nc1c(I)cc(I)cc1C(=O)[O-]	 
O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899488	35/72/93/570357293	KNBLWBFJHZHYFG-INIZCTEOSA-N	-1	385.376	GE	2.126	0	Bother	ref	GEBARM	O=C([O-])CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	 
O=C(O)CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005273777	12/29/71/204122971	KNBLWBFJHZHYFG-MRXNPFEDSA-N	-1	385.376	GE	2.126	0	Bother	ref	GEBARM	O=C([O-])CCC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	 
CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1	ZINC000008584656	28/02/49/204280249	PVBUMDGFEPZTCQ-UHFFFAOYSA-N	-1	376.365	GE	2.191	0	Anodyne	ref	GEAARM	CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1	 
CCS(=O)(=O)N1CCC[C@@H](c2nnc(S)n2Cc2ccc(C)cc2)C1	ZINC000013322649	55/96/65/531559665	REGKRSWCOFFKTC-OAHLLOKOSA-N	0	380.539	GE	2.453	0	Anodyne	ref	GEAARN	CCS(=O)(=O)N1CCC[C@@H](C2N=NC(=S)N2Cc2ccc(C)cc2)C1	 
CCS(=O)(=O)N1CCC[C@H](c2nnc(S)n2Cc2ccc(C)cc2)C1	ZINC000013322651	05/68/98/210056898	REGKRSWCOFFKTC-HNNXBMFYSA-N	0	380.539	GE	2.453	0	Anodyne	ref	GEAARN	CCS(=O)(=O)N1CCC[C@H](C2N=NC(=S)N2Cc2ccc(C)cc2)C1	 
CCS(=O)(=O)N1CCC[C@@H](c2nnc(S)n2Cc2ccc(F)cc2)C1	ZINC000013322727	55/94/33/531559433	QIBMXCIRRPJFMR-CYBMUJFWSA-N	0	384.502	GE	2.283	0	Anodyne	ref	GEAARN	CCS(=O)(=O)N1CCC[C@@H](C2N=NC(=S)N2Cc2ccc(F)cc2)C1	 
CCS(=O)(=O)N1CCC[C@H](c2nnc(S)n2Cc2ccc(F)cc2)C1	ZINC000013322729	56/08/72/531560872	QIBMXCIRRPJFMR-ZDUSSCGKSA-N	0	384.502	GE	2.283	0	Anodyne	ref	GEAARN	CCS(=O)(=O)N1CCC[C@H](C2N=NC(=S)N2Cc2ccc(F)cc2)C1	 
CC(C)(C)OC(=O)N1CCC(C#N)(N2CCN(C(=O)c3ccco3)CC2)CC1	ZINC000032918884	79/96/20/518799620	XSNALNYQCRVKEK-UHFFFAOYSA-N	0	388.468	GE	2.331	0	Mild	ref	GEEARN	CC(C)(C)OC(=O)N1CCC(C#N)(N2CCN(C(=O)c3ccco3)CC2)CC1	 
Cn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2	ZINC000032919088	51/63/45/570516345	NGBKFVGYXMDZGZ-UHFFFAOYSA-N	0	382.464	GE	2.303	1	Anodyne	mid	GEAAMN	Cn1nc(C(=O)N2CCCCC2)c2c1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2	 
Cn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2	ZINC000032919088	51/63/43/570516343	NGBKFVGYXMDZGZ-UHFFFAOYSA-N	0	382.464	GE	2.303	1	Anodyne	mid	GEAAMN	Cn1nc(C(=O)N2CCCCC2)c2c1CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C2	 
Cn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2	ZINC000032919088	51/63/39/570516339	NGBKFVGYXMDZGZ-UHFFFAOYSA-N	-1	382.464	GE	2.303	0	Anodyne	ref	GEAARM	Cn1nc(C(=O)N2CCCCC2)c2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2	 
COC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(OC)c2)CN1C(=O)OC(C)(C)C	ZINC000032919522	51/61/11/570516111	AMOVMBDTQULZSJ-GJZGRUSLSA-N	0	394.468	GE	2.344	1	Anodyne	mid	GEAAMN	COC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(OC)c2)CN1C(=O)OC(C)(C)C	 
COC(=O)[C@@H]1C[C@H](NCc2ccc(OC)c(OC)c2)CN1C(=O)OC(C)(C)C	ZINC000032919522	51/61/08/570516108	AMOVMBDTQULZSJ-GJZGRUSLSA-N	1	394.468	GE	2.344	0	Anodyne	ref	GEAARO	COC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c(OC)c2)CN1C(=O)OC(C)(C)C	 
COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)O)cc3)S2(=O)=O)cc1	ZINC000032920053	51/61/90/570516190	MOOJLMPFTZZYHX-UHFFFAOYSA-N	-1	387.413	GE	2.497	0	Anodyne	ref	GEAARM	COc1ccc(C2=C(C)C(=O)N(Cc3ccc(C(=O)[O-])cc3)S2(=O)=O)cc1	 
Cc1cc(C)n(-c2nc(NN)nc(Nc3ccc(Br)cc3)n2)n1	ZINC000034925107	54/82/07/570548207	GKWIRVSCTLXSLL-UHFFFAOYSA-N	0	375.234	GE	2.466	3	Anodyne	high	GEAAHN	Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)[nH]c(=NN)n2)n1	 
Cc1cc(C)n(-c2nc(NN)nc(Nc3ccc(Br)cc3)n2)n1	ZINC000034925107	54/82/03/570548203	GKWIRVSCTLXSLL-UHFFFAOYSA-N	-1	375.234	GE	2.466	3	Anodyne	high	GEAAHM	Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)[n-]c(=NN)n2)n1	 
Cc1cc(C)n(-c2nc(NN)nc(Nc3ccc(Br)cc3)n2)n1	ZINC000034925107	54/81/97/570548197	GKWIRVSCTLXSLL-UHFFFAOYSA-N	1	375.234	GE	2.466	0	Anodyne	ref	GEAARO	Cc1cc(C)n(-c2nc(NN)[nH+]c(Nc3ccc(Br)cc3)n2)n1	 
CCOC(=O)c1ccc(NC(=O)c2nnc(CSCC(=O)O)s2)cc1	ZINC000034927237	54/82/74/570548274	FMQWNGMJMIEASV-UHFFFAOYSA-N	-1	381.435	GE	2.285	0	Anodyne	ref	GEAARM	CCOC(=O)c1ccc(NC(=O)c2nnc(CSCC(=O)[O-])s2)cc1	 
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)O)C2)s1	ZINC000034927244	54/82/66/570548266	RSLVJLXYZGJNIT-VIFPVBQESA-N	-1	394.84	GE	2.381	0	Anodyne	ref	GEAARM	O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1	 
O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)O)C2)s1	ZINC000034927245	54/81/05/570548105	RSLVJLXYZGJNIT-SECBINFHSA-N	-1	394.84	GE	2.381	0	Anodyne	ref	GEAARM	O=C(Nc1ccc(Cl)cc1)c1nnc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1	 
Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)O)CC3)nc3cccnc32)cc1	ZINC000045795983	64/90/14/570649014	GVPXGNCZOQJNRQ-UHFFFAOYSA-N	-1	378.432	GE	2.449	0	Anodyne	ref	GEAARM	Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)[O-])CC3)nc3cccnc32)cc1	 
CC(C)(C)c1ccc(C2CC(=O)C(=CNCCN3CCNCC3)C(=O)C2)cc1	ZINC000100027638	02/55/32/519025532	PHXSAVQZYQMDLF-UHFFFAOYSA-N	1	383.536	GE	2.378	0	Mild	ref	GEEARO	CC(C)(C)c1ccc(C2CC(=O)C(=CNCCN3CC[NH2+]CC3)C(=O)C2)cc1	 
O=C1CC(c2ccc(Cl)c(Cl)c2)CC(=O)C1=CNCCN1CCNCC1	ZINC000100138943	96/01/84/526960184	NSKLGDSSSZTONS-UHFFFAOYSA-N	1	396.318	GE	2.388	0	Mild	ref	GEEARO	O=C1CC(c2ccc(Cl)c(Cl)c2)CC(=O)C1=CNCCN1CC[NH2+]CC1