CC(=O)NC[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	ZINC000000001622	67/22/32/519672232	TYZROVQLWOKYKF-CYBMUJFWSA-N	0	337.351	ED	1.124	0	Anodyne	ref	EDAARN	CC(=O)NC[C@@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	in-vitro
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	ZINC000000001894	34/99/43/523349943	FHFYDNQZQSQIAI-UHFFFAOYSA-N	0	333.363	ED	1.611	2	Anodyne	low	EDAALN	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[NH+](C)CC3)cc21	world
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	ZINC000000001894	34/99/21/523349921	FHFYDNQZQSQIAI-UHFFFAOYSA-N	-1	333.363	ED	1.611	0	Anodyne	ref	EDAARM	CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	world
CCOC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC	ZINC000000003986	79/46/21/440794621	WSYVIAQNTFPTBI-HNNXBMFYSA-N	0	339.413	ED	1.929	0	Anodyne	ref	EDAARN	CCOC(=O)CC(=O)N1CCS[C@H]1COc1ccccc1OC	world
CN1C(=O)COc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21	ZINC000000004132	01/04/01/277010401	WUKZPHOXUVCQOR-ZDUSSCGKSA-N	0	349.818	ED	1.519	1	Anodyne	mid	EDAAMN	CN1C(=O)COc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21	investigational
CN1C(=O)COc2c(C(=O)N[C@H]3CN4CCC3CC4)cc(Cl)cc21	ZINC000000004132	01/04/00/277010400	WUKZPHOXUVCQOR-ZDUSSCGKSA-N	1	349.818	ED	1.519	0	Anodyne	ref	EDAARO	CN1C(=O)COc2c(C(=O)N[C@H]3C[NH+]4CCC3CC4)cc(Cl)cc21	investigational
Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12	ZINC000000005258	79/45/29/440794529	PWTBZOIUWZOPFT-UHFFFAOYSA-N	0	337.343	ED	1.722	0	Anodyne	ref	EDAARN	Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12	in-vivo
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000020220	79/36/86/440793686	MYSWGUAQZAJSOK-UHFFFAOYSA-N	-1	331.347	ED	1.583	3	Anodyne	high	EDAAHM	O=C([O-])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	fda
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	ZINC000000020220	79/36/74/440793674	MYSWGUAQZAJSOK-UHFFFAOYSA-N	0	331.347	ED	1.583	0	Anodyne	ref	EDAARN	O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	fda
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl	ZINC000000035804	79/39/57/440793957	ZZUFCTLCJUWOSV-UHFFFAOYSA-N	-1	330.749	ED	1.891	0	Anodyne	ref	EDAARM	NS(=O)(=O)c1cc(C(=O)[O-])c(NCc2ccco2)cc1Cl	fda
C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000000057235	39/16/91/287391691	LBXHRAWDUMTPSE-NXEZZACHSA-N	0	345.852	ED	1.895	0	Anodyne	ref	EDAARN	C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	world
C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000000057236	89/54/77/299895477	LBXHRAWDUMTPSE-UWVGGRQHSA-N	0	345.852	ED	1.895	0	Anodyne	ref	EDAARN	C[C@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	world
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	ZINC000000389747	81/89/22/440818922	UZHSEJADLWPNLE-GRGSLBFTSA-N	0	327.38	ED	1.301	1	Mild	mid	EDEAMN	C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	fda biogenic
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	ZINC000000389747	81/89/18/440818918	UZHSEJADLWPNLE-GRGSLBFTSA-N	1	327.38	ED	1.301	1	Mild	mid	EDEAMO	C=CC[N@@H+]1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	fda biogenic
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	ZINC000000389747	81/89/10/440818910	UZHSEJADLWPNLE-GRGSLBFTSA-N	1	327.38	ED	1.301	0	Mild	ref	EDEARO	C=CC[N@H+]1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	fda biogenic
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)O	ZINC000001194784	84/02/65/440840265	DVBJNSKWHSGTDK-YHYXMXQVSA-N	-2	325.367	ED	1.647	1	Clean	mid	EDCAML	COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)[O-]	 
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)O	ZINC000001194784	84/02/47/440840247	DVBJNSKWHSGTDK-YHYXMXQVSA-N	-1	325.367	ED	1.647	0	Clean	ref	EDCARM	COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(=O)[O-]	 
CN/C(=C\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1	ZINC000001530736	84/61/00/440846100	SGXXNSQHWDMGGP-IZZDOVSWSA-N	1	331.467	ED	1.322	2	Anodyne	low	EDAALO	CNC(=C[N+](=O)[O-])NCCSCc1csc(C[NH+](C)C)n1	fda
CN/C(=C\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1	ZINC000001530736	84/60/94/440846094	SGXXNSQHWDMGGP-IZZDOVSWSA-N	0	331.467	ED	1.322	0	Anodyne	ref	EDAARN	CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1	fda
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000001532334	34/89/86/299348986	LZFZMUMEGBBDTC-AEGPPILISA-N	-2	348.399	ED	1.126	1	Anodyne	mid	EDABML	C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	in-vitro
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000001532334	34/89/71/299348971	LZFZMUMEGBBDTC-AEGPPILISA-N	-1	348.399	ED	1.126	0	Anodyne	ref	EDABRM	C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	in-vitro
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	ZINC000001542927	75/83/31/209758331	JTVPZMFULRWINT-UHFFFAOYSA-N	0	328.434	ED	1.17	1	Anodyne	mid	EDAAMN	CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	world
CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	ZINC000001542927	75/83/25/209758325	JTVPZMFULRWINT-UHFFFAOYSA-N	1	328.434	ED	1.17	0	Anodyne	ref	EDAARO	CC[NH+](CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC	world
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	ZINC000001854211	85/40/71/440854071	LZFZMUMEGBBDTC-CFVMTHIKSA-N	-2	348.399	ED	1.126	1	Anodyne	mid	EDABML	C[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	 
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	ZINC000001854211	85/40/61/440854061	LZFZMUMEGBBDTC-CFVMTHIKSA-N	-1	348.399	ED	1.126	0	Anodyne	ref	EDABRM	C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	 
CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	ZINC000002008866	85/58/89/440855889	TYZROVQLWOKYKF-ZDUSSCGKSA-N	0	337.351	ED	1.124	0	Anodyne	ref	EDAARN	CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	fda
CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC	ZINC000002015997	85/56/09/440855609	WSYVIAQNTFPTBI-OAHLLOKOSA-N	0	339.413	ED	1.929	0	Anodyne	ref	EDAARN	CCOC(=O)CC(=O)N1CCS[C@@H]1COc1ccccc1OC	world
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000002244016	85/90/54/440859054	LZFZMUMEGBBDTC-NWANDNLSSA-N	-2	348.399	ED	1.126	1	Anodyne	mid	EDABML	C[C@H](N[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	 
C[C@H](N[C@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O	ZINC000002244016	85/90/45/440859045	LZFZMUMEGBBDTC-NWANDNLSSA-N	-1	348.399	ED	1.126	0	Anodyne	ref	EDABRM	C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	 
CN1C(=O)COc2c(C(=O)N[C@@H]3CN4CCC3CC4)cc(Cl)cc21	ZINC000002528474	86/46/43/440864643	WUKZPHOXUVCQOR-CYBMUJFWSA-N	0	349.818	ED	1.519	1	Anodyne	mid	EDAAMN	CN1C(=O)COc2c(C(=O)N[C@@H]3CN4CCC3CC4)cc(Cl)cc21	investigational
CN1C(=O)COc2c(C(=O)N[C@@H]3CN4CCC3CC4)cc(Cl)cc21	ZINC000002528474	86/46/27/440864627	WUKZPHOXUVCQOR-CYBMUJFWSA-N	1	349.818	ED	1.519	0	Anodyne	ref	EDAARO	CN1C(=O)COc2c(C(=O)N[C@@H]3C[NH+]4CCC3CC4)cc(Cl)cc21	investigational
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	ZINC000003812851	34/91/05/299349105	LZFZMUMEGBBDTC-QEJZJMRPSA-N	-2	348.399	ED	1.126	1	Anodyne	mid	EDAAML	C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	fda endogenous
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O	ZINC000003812851	34/90/91/299349091	LZFZMUMEGBBDTC-QEJZJMRPSA-N	-1	348.399	ED	1.126	0	Anodyne	ref	EDAARM	C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	fda endogenous
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O	ZINC000003860467	81/50/05/277815005	IXORZMNAPKEEDV-OBDJNFEBSA-N	-1	346.379	ED	1.027	0	Mild	ref	EDEARM	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)[O-]	in-man biogenic
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	ZINC000003913912	09/37/84/210093784	SRVFFFJZQVENJC-IHRRRGAJSA-N	0	342.436	ED	1.01	0	Anodyne	ref	EDAARN	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	in-man
CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C	ZINC000003924682	90/91/25/440909125	SRVFFFJZQVENJC-MGPQQGTHSA-N	0	342.436	ED	1.01	0	Mild	ref	EDEBRN	CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@H](CC(C)C)C(=O)NCCC(C)C	 
CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1	ZINC000003935481	10/63/72/520106372	DYZJXZOQQRXDLE-CQSZACIVSA-O	1	328.454	ED	1.669	0	Mild	ref	EDEARO	CCOC[C@@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1	world
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	ZINC000004217270	14/58/13/210145813	ODAIHABQVKJNIY-PEDHHIEDSA-N	-2	340.42	ED	1.462	3	Anodyne	high	EDAAHL	CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	world
CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	ZINC000004217270	14/58/06/210145806	ODAIHABQVKJNIY-PEDHHIEDSA-N	-1	340.42	ED	1.462	0	Anodyne	ref	EDAARM	CCC[C@H]([NH2+][C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	world
Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2	ZINC000004512033	79/58/17/282795817	XRVMPTWWKLKLPB-UHFFFAOYSA-N	0	337.261	ED	1.06	0	Anodyne	ref	EDAARN	Cn1nc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2	in-vitro
CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	ZINC000005650673	96/31/95/440963195	SRVFFFJZQVENJC-BFHYXJOUSA-N	0	342.436	ED	1.01	0	Mild	ref	EDEBRN	CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	 
CCOC(=O)[C@@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	ZINC000005650675	96/27/22/440962722	SRVFFFJZQVENJC-MELADBBJSA-N	0	342.436	ED	1.01	0	Mild	ref	EDEBRN	CCOC(=O)[C@@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	 
CCOC[C@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1	ZINC000005650754	16/42/04/520164204	DYZJXZOQQRXDLE-AWEZNQCLSA-O	1	328.454	ED	1.669	0	Mild	ref	EDEARO	CCOC[C@H](O)COc1ccc(NC(=O)CC[S+](C)C)cc1	world
CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	ZINC000012503102	13/41/65/441134165	WZWYJBNHTWCXIM-RAXLEYEMSA-N	-1	337.382	ED	1.799	1	Mild	mid	EDEAMM	CN1C(=C([O-])Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	world
CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	ZINC000012503102	13/41/60/441134160	WZWYJBNHTWCXIM-RAXLEYEMSA-N	0	337.382	ED	1.799	1	Mild	mid	EDEAMN	CN1C(=C(O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	world
CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	ZINC000012503102	13/41/54/441134154	WZWYJBNHTWCXIM-RAXLEYEMSA-N	-1	337.382	ED	1.799	0	Mild	ref	EDEARM	CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O	world
Cc1cc(N/C(O)=C2\C(=O)c3ccccc3S(=O)(=O)N2C)no1	ZINC000013130154	33/09/12/301330912	LXLDMERTXJKSMN-OWBHPGMISA-N	0	335.341	ED	1.639	2	Mild	low	EDEALN	Cc1cc(NC(O)=C2C(=O)c3ccccc3S(=O)(=O)N2C)no1	in-vitro
Cc1cc(N/C(O)=C2\C(=O)c3ccccc3S(=O)(=O)N2C)no1	ZINC000013130154	33/09/01/301330901	LXLDMERTXJKSMN-OWBHPGMISA-N	-1	335.341	ED	1.639	0	Mild	ref	EDEARM	Cc1cc(N=C([O-])C2C(=O)c3ccccc3S(=O)(=O)N2C)no1	in-vitro
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	ZINC000013820151	16/70/52/441167052	ODAIHABQVKJNIY-QMVSFRDZSA-N	-2	340.42	ED	1.462	3	Anodyne	high	EDAAHL	CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	 
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O	ZINC000013820151	16/70/43/441167043	ODAIHABQVKJNIY-QMVSFRDZSA-N	-1	340.42	ED	1.462	0	Anodyne	ref	EDAARM	CCC[C@H]([NH2+][C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21)C(=O)[O-]	 
CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1	ZINC000013983495	16/87/66/441168766	FECGNJPYVFEKOD-VMPITWQZSA-N	0	349.412	ED	1.305	3	Mild	high	EDEAHN	CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1	investigational
CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1	ZINC000013983495	16/87/58/441168758	FECGNJPYVFEKOD-VMPITWQZSA-N	1	349.412	ED	1.305	0	Mild	ref	EDEARO	C[NH+](C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1	investigational
C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000018847050	25/35/71/441253571	LBXHRAWDUMTPSE-AOOOYVTPSA-N	0	345.852	ED	1.895	0	Anodyne	ref	EDAARN	C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	world
CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O	ZINC000034894706	60/17/44/441601744	WCKZRLOUKYFJDY-UHFFFAOYSA-N	0	326.356	ED	1.488	3	Anodyne	high	EDAAHN	CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O	in-vitro
CN(C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O	ZINC000034894706	60/17/33/441601733	WCKZRLOUKYFJDY-UHFFFAOYSA-N	1	326.356	ED	1.488	0	Anodyne	ref	EDAARO	C[NH+](C)CCN1C(=O)c2cccc3cc(NC(N)=O)cc(c23)C1=O	in-vitro
COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O	ZINC000038595403	44/76/80/277447680	MXTLAHSTUOXGQF-UHFFFAOYSA-N	0	337.375	ED	1.235	0	Mild	ref	EDEARN	COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O	in-vitro biogenic
Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1	ZINC000049538599	34/60/32/301346032	YYUAYBYLJSNDCX-UHFFFAOYSA-N	-1	335.341	ED	1.482	0	Anodyne	ref	EDAARM	Cc1cc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)no1	in-man
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O	ZINC000051133897	39/97/72/441399772	QYSPLQLAKJAUJT-UHFFFAOYSA-N	-1	331.353	ED	1.581	0	Anodyne	ref	EDAARM	CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O	fda biogenic
CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1	ZINC000064696513	38/91/91/441389191	ZBSSIYGXZQZYDM-UHFFFAOYSA-N	1	333.432	ED	1.935	0	Anodyne	ref	EDAARO	CCOC(=O)N1CCC([NH2+]CCNC(=O)c2ccccc2C)CC1	in-vitro
COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	ZINC000070466460	07/83/93/203078393	ILBRKJBKDGCSCB-UHFFFAOYSA-N	0	349.354	ED	1.872	0	Anodyne	ref	EDAARN	COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC	in-vitro
CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1	ZINC000084757327	42/01/31/441420131	HJWLJNBZVZDLAQ-UHFFFAOYSA-N	1	337.449	ED	1.502	1	Anodyne	mid	EDABMO	CNS(=O)(=O)CC1CCC(N(C)c2[nH+]cnc3[nH]ccc23)CC1	in-man
CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1	ZINC000084757327	42/01/26/441420126	HJWLJNBZVZDLAQ-UHFFFAOYSA-N	0	337.449	ED	1.502	0	Anodyne	ref	EDABRN	CNS(=O)(=O)CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1	in-man
CN1/C(=C(/O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O	ZINC000087724780	00/51/77/277005177	LDJVNWFKNMYYNT-FYWRMAATSA-N	-1	331.353	ED	1.738	1	Mild	mid	EDEAMM	CN1C(C([O-])=Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O	in-vitro
CN1/C(=C(/O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O	ZINC000087724780	00/51/73/277005173	LDJVNWFKNMYYNT-FYWRMAATSA-N	0	331.353	ED	1.738	0	Mild	ref	EDEARN	CN1C(=C(O)Nc2ccccn2)C(=O)c2ccccc2S1(=O)=O	in-vitro
CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	ZINC000098023185	07/13/32/219071332	NGDDJJKHNGAOCH-UHFFFAOYSA-N	0	340.391	ED	1.283	0	Anodyne	ref	EDABRN	CC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21	 
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O	ZINC000100006429	86/04/33/289860433	LZNWYQJJBLGYLT-UHFFFAOYSA-N	-1	337.382	ED	1.643	0	Anodyne	ref	EDAARM	CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O	world
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016123	08/84/60/219088460	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])[C@@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c([O-])c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016123	08/84/58/219088458	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c([O-])c3[C@@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016123	08/84/55/219088455	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)c1c(O)c(C)c([O-])c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016123	08/84/52/219088452	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016123	08/84/49/219088449	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016123	08/84/46/219088446	CUCUKLJLRRAKFN-VOJFVSQTSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])[C@@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@]12C	ZINC000100016127	08/79/67/219087967	CUCUKLJLRRAKFN-BBATYDOGSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c([O-])c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@]12C	ZINC000100016127	08/79/65/219087965	CUCUKLJLRRAKFN-BBATYDOGSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c([O-])c3[C@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@]12C	ZINC000100016127	08/79/64/219087964	CUCUKLJLRRAKFN-BBATYDOGSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)c1c(O)c(C)c([O-])c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@]12C	ZINC000100016127	08/79/62/219087962	CUCUKLJLRRAKFN-BBATYDOGSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@]12C	ZINC000100016127	08/79/61/219087961	CUCUKLJLRRAKFN-BBATYDOGSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](C(C)=O)C(=O)[C@]12C	ZINC000100016127	08/79/58/219087958	CUCUKLJLRRAKFN-BBATYDOGSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016128	15/06/81/441150681	CUCUKLJLRRAKFN-ZMZPIMSZSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])[C@@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c([O-])c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016128	15/06/77/441150677	CUCUKLJLRRAKFN-ZMZPIMSZSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c([O-])c3[C@@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016128	15/06/73/441150673	CUCUKLJLRRAKFN-ZMZPIMSZSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)c1c(O)c(C)c([O-])c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016128	15/06/69/441150669	CUCUKLJLRRAKFN-ZMZPIMSZSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016128	15/06/64/441150664	CUCUKLJLRRAKFN-ZMZPIMSZSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]12C	ZINC000100016128	15/06/56/441150656	CUCUKLJLRRAKFN-ZMZPIMSZSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])[C@@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@]12C	ZINC000100016131	08/80/02/219088002	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c([O-])c12	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@]12C	ZINC000100016131	08/80/00/219088000	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c([O-])c3[C@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@]12C	ZINC000100016131	08/79/99/219087999	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-2	344.319	ED	1.5	3	Mild	high	EDEAHL	CC(=O)c1c(O)c(C)c([O-])c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@]12C	ZINC000100016131	08/79/98/219087998	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@]2(C)C1=O	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@]12C	ZINC000100016131	08/79/96/219087996	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)[O-])C(=O)[C@]12C	biogenic in-vivo
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](C(C)=O)C(=O)[C@]12C	ZINC000100016131	08/79/95/219087995	CUCUKLJLRRAKFN-ADLMAVQZSA-N	-1	344.319	ED	1.5	2	Mild	low	EDEALM	CC(=O)C1=C([O-])[C@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12	biogenic in-vivo
CCN1C(=O)CNc2ncc(-c3ccc(-c4nnc[nH]4)nc3C)nc21	ZINC000113191351	58/67/89/441586789	GMYLVKUGJMYTFB-UHFFFAOYSA-N	0	336.359	ED	1.411	0	Anodyne	ref	EDAARN	CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21	investigational
N#Cc1ccc2c(c1)/C(=C1\C=CC(CN3CCOCC3)=CN1)C(=O)N2	ZINC000141742530	85/51/31/441855131	JULOXTBHCHEFBE-ZCXUNETKSA-N	1	334.379	ED	1.597	1	Mild	mid	EDEBMO	N#Cc1ccc2c(c1)/C(=C1\C=CC(C[NH+]3CCOCC3)=CN1)C(=O)N2	in-vitro
N#Cc1ccc2c(c1)/C(=C1\C=CC(CN3CCOCC3)=CN1)C(=O)N2	ZINC000141742530	85/51/27/441855127	JULOXTBHCHEFBE-ZCXUNETKSA-N	0	334.379	ED	1.597	0	Mild	ref	EDEBRN	N#Cc1ccc2c(c1)/C(=C1\C=CC(CN3CCOCC3)=CN1)C(=O)N2	in-vitro
NS(=O)(=O)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1	ZINC000169341426	22/65/26/442226526	CSYFFQVEQXEIAB-UHFFFAOYSA-N	0	328.349	ED	1.709	0	Mild	ref	EDEARN	NS(=O)(=O)c1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1	 
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O	ZINC000205775084	70/51/21/486705121	ICYNYWFGIDGBRD-UHFFFAOYSA-N	-1	325.777	ED	1.72	3	Anodyne	high	EDAAHM	COc1ccc(Cl)cc1-c1cc(=O)[n-]c(=S)n1CC(N)=O	investigational
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O	ZINC000205775084	70/51/18/486705118	ICYNYWFGIDGBRD-UHFFFAOYSA-N	-1	325.777	ED	1.72	0	Anodyne	ref	EDAARM	COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O	investigational
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)C(=O)O	ZINC000230037570	13/29/48/443132948	ODAIHABQVKJNIY-HTOAHKCRSA-N	-2	340.42	ED	1.462	3	Anodyne	high	EDAAHL	CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@H]21)C(=O)[O-]	 
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)C(=O)O	ZINC000230037570	13/29/41/443132941	ODAIHABQVKJNIY-HTOAHKCRSA-N	-1	340.42	ED	1.462	0	Anodyne	ref	EDAARM	CCC[C@H]([NH2+][C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@H]21)C(=O)[O-]	 
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)O	ZINC000248255651	55/37/83/243553783	ODAIHABQVKJNIY-DGTMBMJNSA-N	-2	340.42	ED	1.462	3	Anodyne	high	EDAAHL	CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C(=O)[O-]	 
CCC[C@H](N[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21)C(=O)O	ZINC000248255651	55/37/75/243553775	ODAIHABQVKJNIY-DGTMBMJNSA-N	-1	340.42	ED	1.462	0	Anodyne	ref	EDAARM	CCC[C@H]([NH2+][C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C(=O)[O-]