CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	ZINC000000597112	69/73/07/521697307	SPFYMRJSYKOXGV-UHFFFAOYSA-N	0	359.401	FE	2.316	2	Anodyne	low	FEAALN	CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	investigational endogenous
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	ZINC000000597112	69/73/02/521697302	SPFYMRJSYKOXGV-UHFFFAOYSA-N	-1	359.401	FE	2.316	0	Anodyne	ref	FEAARM	CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	investigational endogenous
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)CNC(C)(C)C)c1	ZINC000000597556	30/49/47/219304947	ANZXOIAKUNOVQU-HNNXBMFYSA-N	1	367.446	FE	2.229	0	Anodyne	ref	FEAARO	CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@@H](O)C[NH2+]C(C)(C)C)c1	world
C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000000603195	43/56/68/524435668	JYJTVFIEFKZWCJ-JTQLQIEISA-N	0	360.385	FE	2.307	2	Anodyne	low	FEAALN	C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	world
C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000000603195	43/56/55/524435655	JYJTVFIEFKZWCJ-JTQLQIEISA-N	-1	360.385	FE	2.307	0	Anodyne	ref	FEAARM	C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	world
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968328	33/61/94/539336194	YASAKCUCGLMORW-HNNXBMFYSA-N	1	357.435	FE	2.491	2	Anodyne	low	FEAALO	CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1	fda
CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968328	33/61/90/539336190	YASAKCUCGLMORW-HNNXBMFYSA-N	-1	357.435	FE	2.491	0	Anodyne	ref	FEAARM	CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1	fda
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968330	34/80/94/219348094	YASAKCUCGLMORW-OAHLLOKOSA-N	1	357.435	FE	2.491	2	Anodyne	low	FEAALO	CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1	fda
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1	ZINC000000968330	34/80/89/219348089	YASAKCUCGLMORW-OAHLLOKOSA-N	-1	357.435	FE	2.491	0	Anodyne	ref	FEAARM	CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1ccccn1	fda
O=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccccc1	ZINC000001215117	34/02/01/539340201	OEMCLQLAWYKPRK-OQLLNIDSSA-N	-1	355.213	FE	2.467	3	Mild	high	FEEAHM	O=S(=O)(N/N=C/c1cc(Br)ccc1[O-])c1ccccc1	in-vitro
O=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccccc1	ZINC000001215117	34/01/96/539340196	OEMCLQLAWYKPRK-OQLLNIDSSA-N	0	355.213	FE	2.467	0	Mild	ref	FEEARN	O=S(=O)(N/N=C/c1cc(Br)ccc1O)c1ccccc1	in-vitro
N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1	ZINC000001278767	86/00/46/203860046	QGPKADBNRMWEQR-MRVPVSSYSA-N	0	365.792	FE	2.364	0	Anodyne	ref	FEAARN	[NH3+][C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	in-man
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC(C)(C)C)c1	ZINC000002021931	02/37/05/204023705	ANZXOIAKUNOVQU-OAHLLOKOSA-N	1	367.446	FE	2.229	0	Anodyne	ref	FEAARO	CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)C[NH2+]C(C)(C)C)c1	world
COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	ZINC000002516056	34/88/51/539348851	FJDDSMSDZHURBJ-UHFFFAOYSA-N	0	358.179	FE	2.46	0	Anodyne	ref	FEAARN	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1	in-vivo
O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1	ZINC000002526465	34/86/84/539348684	PQCXVIPXISBFPN-UHFFFAOYSA-N	-1	359.725	FE	2.433	3	Bother	high	FEBAHM	O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc([O-])c(Cl)c1	in-vivo
O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1	ZINC000002526465	34/86/76/539348676	PQCXVIPXISBFPN-UHFFFAOYSA-N	0	359.725	FE	2.433	0	Bother	ref	FEBARN	O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1	in-vivo
C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000003794622	38/57/84/132385784	JYJTVFIEFKZWCJ-SNVBAGLBSA-N	0	360.385	FE	2.307	2	Anodyne	low	FEAALN	C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	world
C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000003794622	38/57/83/132385783	JYJTVFIEFKZWCJ-SNVBAGLBSA-N	-1	360.385	FE	2.307	0	Anodyne	ref	FEAARM	C[C@@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	world
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O	ZINC000003812842	37/34/74/539373474	TYNLGDBUJLVSMA-UHFFFAOYSA-N	-1	368.297	FE	2.011	0	Clean	ref	FECARM	CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)[O-])cc1C2=O	world biogenic
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000003818628	37/33/09/539373309	PHGLPDURIUEELR-UHFFFAOYSA-N	-1	364.423	FE	2.19	3	Mild	high	FEEAHM	CC(C)ON(CC(=O)N[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1	in-vitro
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000003818628	37/32/99/539373299	PHGLPDURIUEELR-UHFFFAOYSA-N	0	364.423	FE	2.19	0	Mild	ref	FEEARN	CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(-c2ccccc2)cc1	in-vitro
N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1	ZINC000003882444	37/36/02/539373602	QGPKADBNRMWEQR-QMMMGPOBSA-N	0	365.792	FE	2.364	0	Anodyne	ref	FEAARN	[NH3+][C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)C1	in-man
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O	ZINC000004096986	50/74/76/210507476	KFGOFTHODYBSGM-ZUNNJUQCSA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEAARM	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)[O-]	world endogenous
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc(C(=O)O)cc1	ZINC000004521222	38/76/20/539387620	PVMDAMXGKHIMSQ-YDHLFZDLSA-N	-1	363.439	FE	2.049	0	Anodyne	ref	FEAARM	O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccc(C(=O)[O-])cc1	in-vitro
NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12	ZINC000004654875	38/89/48/539388948	ZUINPPQIQARTKX-UHFFFAOYSA-N	2	370.541	FE	2.197	3	Anodyne	high	FEAAHP	NCCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1cccc2ccccc12	in-vitro
NCCCNCCCCNCCCNC(=O)Cc1cccc2ccccc12	ZINC000004654875	38/89/44/539388944	ZUINPPQIQARTKX-UHFFFAOYSA-N	3	370.541	FE	2.197	0	Anodyne	ref	FEAARP	[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1cccc2ccccc12	in-vitro
Nc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)nc(Nc2ccccc2)n1	ZINC000005259235	40/63/34/539406334	RRRDZFQRNJTKHL-UHFFFAOYSA-N	0	366.337	FE	2.463	0	Anodyne	ref	FEAARN	Nc1nc(COC(=O)c2ccc([N+](=O)[O-])cc2)nc(Nc2ccccc2)n1	in-vitro
C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000006020577	42/05/42/539420542	QVVXWHIDRKRPMO-ZPZAMTPNSA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000006036378	42/06/28/539420628	QVVXWHIDRKRPMO-VOSXNNSYSA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000006201929	42/43/03/539424303	JRNZEGAFLBTZDT-IRMCVWCUSA-N	-1	372.502	FE	2.238	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000012495318	00/10/95/220001095	WTJYDBMHYPQFNJ-ZUVVJKHESA-N	-1	368.47	FE	2.222	0	Anodyne	ref	FEAARM	C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-man endogenous
O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO	ZINC000012496087	56/23/77/539562377	AZIGEYVZEVXWAD-NZGURKHLSA-N	-1	368.47	FE	2.224	0	Anodyne	ref	FEAARM	O=C([O-])CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO	in-man endogenous
O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO	ZINC000012496233	38/30/00/207383000	XQXUYZDBZCLAQO-UNKHNRNISA-N	-1	370.486	FE	2.015	0	Anodyne	ref	FEABRM	O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCCO	in-man endogenous
Cn1cc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21	ZINC000013538923	58/77/30/539587730	MLKHXLFEYOOYEY-NVNXTCNLSA-N	0	353.403	FE	2.318	0	Clean	ref	FECARN	Cn1cc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c2ccccc21	in-vitro
C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000013815365	18/13/16/210181316	UBWZMPMLSDJDSU-OQRQNLQMSA-N	-1	370.486	FE	2.014	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	ZINC000014959960	60/79/02/539607902	KQMPRSZTUSSXND-UHFFFAOYSA-N	0	356.382	FE	2.133	0	Mild	ref	FEEARN	CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000027639950	81/30/64/539813064	QVVXWHIDRKRPMO-HESWFPMQSA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000027640349	54/24/29/220542429	WTJYDBMHYPQFNJ-QSGODPKDSA-N	-1	368.47	FE	2.222	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000027640355	81/27/24/539812724	WTJYDBMHYPQFNJ-GDCLHUEGSA-N	-1	368.47	FE	2.222	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000027640360	93/64/37/207936437	WTJYDBMHYPQFNJ-JDIRIWFDSA-N	-1	368.47	FE	2.222	0	Anodyne	ref	FEAARM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000027640377	81/28/00/539812800	ZMWWFDMBQLWCBL-LHNAUOSASA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000027640718	81/30/39/539813039	JRNZEGAFLBTZDT-YQRCIVCRSA-N	-1	372.502	FE	2.238	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000027640729	93/59/47/207935947	JRNZEGAFLBTZDT-PKYXCTLCSA-N	-1	372.502	FE	2.238	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000027642324	86/62/76/204866276	JRNZEGAFLBTZDT-QABPUMKRSA-N	-1	372.502	FE	2.238	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O	ZINC000027642329	81/40/66/539814066	JRNZEGAFLBTZDT-AFMCRJLRSA-N	-1	372.502	FE	2.238	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)O1	ZINC000027643886	81/39/75/539813975	XYSPYIAAWRUEML-AVMWIMHJSA-N	0	372.339	FE	2.314	0	Anodyne	ref	FEAARN	O=C1C[C@H]2[C@H](C[C@@H](O)[C@@H]2/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)O1	in-vitro
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)O	ZINC000033820493	97/63/64/539976364	HFKNJQYMAGMXTR-CAPHXMBKSA-N	-1	368.47	FE	2.222	0	Anodyne	ref	FEAARM	CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(=O)[O-]	in-vitro
Cn1c2cc([S@](C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21	ZINC000036382859	01/36/20/205013620	ZWKJWVSEDISQIS-RUZDIDTESA-N	0	372.475	FE	2.318	0	Anodyne	ref	FEAARN	Cn1c2cc([S@](C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21	in-vitro
Cn1c2cc([S@@](C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21	ZINC000038143011	99/82/76/539998276	ZWKJWVSEDISQIS-VWLOTQADSA-N	0	372.475	FE	2.318	0	Anodyne	ref	FEAARN	Cn1c2cc([S@@](C)=O)sc2c2cnn(Cc3cccc(N)c3)c(=O)c21	 
C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000043772398	10/54/21/205105421	UBWZMPMLSDJDSU-ZYPCAQTJSA-N	-1	370.486	FE	2.014	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	ZINC000052509437	46/94/88/540469488	HUXYBQXJVXOMKX-UHFFFAOYSA-N	0	361.49	FE	2.313	3	Anodyne	high	FEAAHN	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	investigational
CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C	ZINC000052509437	46/94/85/540469485	HUXYBQXJVXOMKX-UHFFFAOYSA-N	1	361.49	FE	2.313	0	Anodyne	ref	FEAARO	CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CC[NH+](C)CC1)C2(C)C	investigational
C[C@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O	ZINC000064857915	21/98/82/541219882	QVVXWHIDRKRPMO-HLDZGCFUSA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@H](O)CCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	in-vitro
C[C@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000064857930	15/50/23/221155023	ZMWWFDMBQLWCBL-RXHLBMLASA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
C[C@@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000064857933	15/45/10/221154510	ZMWWFDMBQLWCBL-HHMSXIPASA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
C[C@H](O)CCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	ZINC000064857936	22/02/02/541220202	ZMWWFDMBQLWCBL-RIXSOLHXSA-N	-1	370.486	FE	2.446	0	Anodyne	ref	FEABRM	C[C@H](O)CCC[C@@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	in-vitro
CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@@H](O)C[C@@H]2C/C(=C\COCC(=O)O)C[C@@H]21	ZINC000064857987	09/58/67/210095867	ARUGKOZUKWAXDS-RGBSCUPGSA-N	-1	374.477	FE	2.225	0	Mild	ref	FEEBRM	CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@@H](O)C[C@@H]2C/C(=C\COCC(=O)[O-])C[C@@H]21	in-vitro
CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	ZINC000068244543	56/79/18/541567918	DUIHHZKTCSNTGM-UHFFFAOYSA-N	0	368.418	FE	2.382	0	Anodyne	ref	FEAARN	CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1	in-vivo
CC(C)[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O	ZINC000095705073	79/45/68/205794568	AKOOIMKXADOPDA-KRWDZBQOSA-N	0	368.412	FE	2.463	0	Anodyne	ref	FEABRN	CC(C)[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O	in-vitro
C[C@H](O)CCCn1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024658	98/73/51/542987351	IZMLODTWDCPVEI-GUYCJALGSA-N	0	359.47	FE	2.432	0	Anodyne	ref	FEABRN	C[C@H](O)CCCn1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
C[C@@H](O)CCCn1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024660	98/73/72/542987372	IZMLODTWDCPVEI-DYVFJYSZSA-N	0	359.47	FE	2.432	0	Anodyne	ref	FEABRN	C[C@@H](O)CCCn1cc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
C[C@H](O)CCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024662	98/75/59/542987559	IZMLODTWDCPVEI-SUMWQHHRSA-N	0	359.47	FE	2.432	0	Anodyne	ref	FEABRN	C[C@H](O)CCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
C[C@@H](O)CCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	ZINC000096024664	98/70/81/542987081	IZMLODTWDCPVEI-CXAGYDPISA-N	0	359.47	FE	2.432	0	Anodyne	ref	FEABRN	C[C@@H](O)CCCn1cc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21	in-vitro
CC(C)(C)[C@H](NC(=O)c1cn(CCCCCO)c2ccccc12)C(N)=O	ZINC000096032857	98/82/00/542988200	ICYIIRAAIJKCGW-QGZVFWFLSA-N	0	359.47	FE	2.434	0	Anodyne	ref	FEABRN	CC(C)(C)[C@H](NC(=O)c1cn(CCCCCO)c2ccccc12)C(N)=O	in-vitro
CC(C)(C)[C@@H](NC(=O)c1cn(CCCCCO)c2ccccc12)C(N)=O	ZINC000096032858	98/84/97/542988497	ICYIIRAAIJKCGW-KRWDZBQOSA-N	0	359.47	FE	2.434	0	Anodyne	ref	FEABRN	CC(C)(C)[C@@H](NC(=O)c1cn(CCCCCO)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(Cc2cccc(F)c2)c2ccccc12)C(N)=O	ZINC000096032883	98/79/19/542987919	PDYYWSOYXNOKBK-KRWDZBQOSA-N	0	368.412	FE	2.463	0	Anodyne	ref	FEABRN	CC(C)[C@H](NC(=O)c1nn(Cc2cccc(F)c2)c2ccccc12)C(N)=O	in-vitro
CC(C)[C@H](NC(=O)c1nn(Cc2ccccc2F)c2ccccc12)C(N)=O	ZINC000096032884	98/85/43/542988543	AJGUHANHCUPXSK-KRWDZBQOSA-N	0	368.412	FE	2.463	0	Anodyne	ref	FEABRN	CC(C)[C@H](NC(=O)c1nn(Cc2ccccc2F)c2ccccc12)C(N)=O	in-vitro
CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O	ZINC000100015491	23/11/73/222231173	WLHQHAUOOXYABV-UHFFFAOYSA-N	-1	371.827	FE	2.296	0	Anodyne	ref	FEAARM	CN1C(C(=O)Nc2ccccn2)=C([O-])c2sc(Cl)cc2S1(=O)=O	world
S=C(N/N=C1/CCCc2cccnc21)N1CCN(c2ccccn2)CC1	ZINC000114475331	51/89/42/543518942	UTDAKQMBNSHJJB-JWGURIENSA-N	1	366.494	FE	2.214	2	Mild	low	FEEALO	S=C(N/N=C1/CCCc2cccnc21)N1CCN(c2cccc[nH+]2)CC1	in-vitro
S=C(N/N=C1/CCCc2cccnc21)N1CCN(c2ccccn2)CC1	ZINC000114475331	51/89/40/543518940	UTDAKQMBNSHJJB-JWGURIENSA-N	0	366.494	FE	2.214	0	Mild	ref	FEEARN	S=C(N/N=C1/CCCc2cccnc21)N1CCN(c2ccccn2)CC1	in-vitro
Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1	ZINC000146965425	44/33/15/544443315	BLGWHBSBBJNKJO-UHFFFAOYSA-N	0	363.377	FE	2.197	0	Anodyne	ref	FEAARN	Nc1nc2cc(-c3ccc4ncc(C(=O)N5CCOCC5)n4c3)ccc2o1	in-vitro
CC(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(=O)O	ZINC000299817114	11/75/12/529117512	DGLBMACIGDZWJF-KVULBXGLSA-N	-1	373.453	FE	2.426	0	Anodyne	ref	FEABRM	CC(C)[C@H](NC(=O)c1nn(CC2CCC(O)CC2)c2ccccc12)C(=O)[O-]	in-vitro
COC(=O)[C@@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(C)C	ZINC000575631014	17/39/15/571173915	HYDHCGXHDBEZCS-INIZCTEOSA-N	0	361.442	FE	2.126	0	Anodyne	ref	FEABRN	COC(=O)[C@@H](NC(=O)c1nn(CCCCCO)c2ccccc12)C(C)C	in-vitro