CC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2	ZINC000000825609	77/49/64/493774964	FGJPKPQMQFZPJY-FQEVSTJZSA-N	0	352.39	FG	3.487	0	Bother	ref	FGBARN	CC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2	 
CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2	ZINC000000825610	27/79/89/210277989	FGJPKPQMQFZPJY-HXUWFJFHSA-N	0	352.39	FG	3.487	0	Bother	ref	FGBARN	CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2	 
CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000001530751	56/74/54/520567454	XIQVNETUBQGFHX-JOCHJYFZSA-N	0	357.494	FG	3.343	3	Mild	high	FGEAHN	CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	fda
CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	ZINC000001530751	56/74/32/520567432	XIQVNETUBQGFHX-JOCHJYFZSA-N	1	357.494	FG	3.343	0	Mild	ref	FGEARO	CC[NH+](CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1	fda
CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000001530752	56/89/65/520568965	XIQVNETUBQGFHX-QFIPXVFZSA-N	0	357.494	FG	3.343	3	Mild	high	FGEAHN	CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	fda
CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	ZINC000001530752	56/89/55/520568955	XIQVNETUBQGFHX-QFIPXVFZSA-N	1	357.494	FG	3.343	0	Mild	ref	FGEARO	CC[NH+](CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1	fda
NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	ZINC000001576227	01/27/26/204012726	YRKFMPDOFHQWPI-LJQANCHMSA-N	0	368.433	FG	3.107	0	Anodyne	ref	FGAARN	[NH3+]CCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	 
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	ZINC000001649340	36/43/32/210364332	BTIHMVBBUGXLCJ-OAHLLOKOSA-N	0	354.458	FG	3.202	0	Anodyne	ref	FGAARN	CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1	investigational
N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1	ZINC000001705403	79/76/82/493797682	OQLKNTOKMBVBKV-UHFFFAOYSA-N	2	354.454	FG	3.273	0	Anodyne	ref	FGAARP	NC(=[NH2+])c1ccc(OCCCCCCOc2ccc(C(N)=[NH2+])cc2)cc1	in-man
CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1	ZINC000002019929	37/66/94/210376694	XXRVYAFBUDSLJX-UHFFFAOYSA-N	0	363.797	FG	3.293	0	Anodyne	ref	FGAARN	CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1	world
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1	ZINC000003813061	11/02/94/204110294	MAEIEVLCKWDQJH-UHFFFAOYSA-N	-1	364.423	FG	3.037	0	Anodyne	ref	FGAARM	CCCCNc1cc(C(=O)[O-])cc(S(N)(=O)=O)c1Oc1ccccc1	fda
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000003830786	11/19/96/204111996	JKKFKPJIXZFSSB-CVYDXHPNSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	in-man
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000003876186	85/90/75/493859075	JKKFKPJIXZFSSB-CBZIJGRNSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	fda endogenous
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@H]1CCC2=O	ZINC000003876187	85/93/71/493859371	JKKFKPJIXZFSSB-KONPQCLYSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@H]1CCC2=O	 
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000004649679	15/15/01/204151501	LBTVHXHERHESKG-UHFFFAOYSA-N	0	372.417	FG	3.209	1	Anodyne	mid	FGAAMN	COc1cc(CCC(=O)C=C(O)CCc2ccc(O)c(OC)c2)ccc1O	in-man endogenous
COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	ZINC000004649679	15/14/96/204151496	LBTVHXHERHESKG-UHFFFAOYSA-N	0	372.417	FG	3.209	0	Anodyne	ref	FGAARN	COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	in-man endogenous
Cc1c(S(=O)(=O)O)oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	ZINC000006069214	23/60/35/204236035	UJCACMLMPLLRGW-UHFFFAOYSA-N	-1	374.414	FG	3.495	0	Clean	ref	FGCARM	Cc1c(S(=O)(=O)[O-])oc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C	in-vitro biogenic
CS/C(C)=N/OC(=O)N(C)SN(C)C(=O)O/N=C(\C)SC	ZINC000013827882	29/72/40/494297240	XDOTVMNBCQVZKG-MKICQXMISA-N	0	354.479	FG	3.079	0	Mild	ref	FGEARN	CS/C(C)=N/OC(=O)N(C)SN(C)C(=O)O/N=C(\C)SC	in-vitro
COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2	ZINC000019535046	26/79/44/220267944	AEQDJSLRWYMAQI-QGZVFWFLSA-N	0	355.434	FG	3.377	0	Anodyne	ref	FGAARN	COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2	in-vitro biogenic
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2	ZINC000019535049	26/89/43/220268943	AEQDJSLRWYMAQI-KRWDZBQOSA-N	0	355.434	FG	3.377	0	Anodyne	ref	FGAARN	COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2	investigational biogenic
CCCN(CCC)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1	ZINC000021981701	33/17/55/211331755	VIXHHPJUMYBSCY-HXUWFJFHSA-N	0	368.477	FG	3.382	0	Anodyne	ref	FGAARN	CCCN(CCC)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1	in-vitro
CCCN(CCC)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1	ZINC000021981703	33/26/03/211332603	VIXHHPJUMYBSCY-FQEVSTJZSA-N	0	368.477	FG	3.382	0	Anodyne	ref	FGAARN	CCCN(CCC)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1	in-vitro
C[C@@H](N)Cc1cc(C#N)c2c(c1)CCN2CCCOC(=O)c1ccccc1	ZINC000034044422	97/76/28/204977628	SPIYQPPDQNLNDT-MRXNPFEDSA-N	1	363.461	FG	3.058	0	Mild	ref	FGEARO	C[C@@H]([NH3+])Cc1cc(C#N)c2c(c1)CCN2CCCOC(=O)c1ccccc1	 
CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1	ZINC000059268639	83/96/41/534839641	LAYUEAVZGYNCJR-UHFFFAOYSA-N	0	366.259	FG	3.378	0	Mild	ref	FGEARN	CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C#N)CC1	 
CN(C)c1ccc(/N=N/c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1	ZINC000064625042	30/19/93/205301993	IBOVDNBDQHYNJI-QZQOTICOSA-N	0	366.377	FG	3.389	0	Mild	ref	FGEARN	CN(C)c1ccc(/N=N/c2ccc(C(=O)ON3C(=O)CCC3=O)cc2)cc1	in-vitro
O=[N+]([O-])c1ccc2c(I)nn([C@@H]3CCCCO3)c2c1	ZINC000069593856	41/75/07/205417507	BLNITUQUAUXMJG-NSHDSACASA-N	0	373.15	FG	3.248	0	Bother	ref	FGBARN	O=[N+]([O-])c1ccc2c(I)nn([C@@H]3CCCCO3)c2c1	 
O=[N+]([O-])c1ccc2c(I)nn([C@H]3CCCCO3)c2c1	ZINC000069593858	98/47/88/493984788	BLNITUQUAUXMJG-LLVKDONJSA-N	0	373.15	FG	3.248	0	Bother	ref	FGBARN	O=[N+]([O-])c1ccc2c(I)nn([C@H]3CCCCO3)c2c1	 
CC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)N2C(=O)OC(C)(C)C)OC1=O	ZINC000082048376	97/72/58/493977258	IMCGHZIGRANKHV-AJNGGQMLSA-N	0	353.459	FG	3.382	0	Anodyne	ref	FGAARN	CC(C)[C@@H]1C[C@@H]([C@@H]2C[C@@H](C(C)C)C(=O)N2C(=O)OC(C)(C)C)OC1=O	 
CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000098023167	22/10/16/222221016	DYTOQURYRYYNOR-UHFFFAOYSA-N	1	366.509	FG	3.498	2	Anodyne	low	FGAALO	CC(C)CCNc1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1	 
CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000098023167	22/10/11/222221011	DYTOQURYRYYNOR-UHFFFAOYSA-N	0	366.509	FG	3.498	0	Anodyne	ref	FGAARN	CC(C)CCNc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1	 
CCC(=O)NS(=O)(=O)c1ccc(C2=C(C)OCN2c2ccccc2)cc1	ZINC000098181729	23/05/37/222230537	WDKDSDPCYXLSFI-UHFFFAOYSA-N	-1	372.446	FG	3.084	0	Anodyne	ref	FGABRM	CCC(=O)[N-]S(=O)(=O)c1ccc(C2=C(C)OCN2c2ccccc2)cc1	 
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@@H]3[C@H]1CCC2=O	ZINC000105017316	18/06/68/210180668	JKKFKPJIXZFSSB-HPFXQQBRSA-N	-1	350.436	FG	3.293	0	Anodyne	ref	FGAARM	C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@H]1CCC2=O