O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	ZINC000000538483	49/52/47/527495247	PHLBKPHSAVXXEF-UHFFFAOYSA-N	1	371.872	FE	2.362	1	Anodyne	mid	FEAAMO	O=c1n(CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	fda
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	ZINC000000538483	49/52/31/527495231	PHLBKPHSAVXXEF-UHFFFAOYSA-N	0	371.872	FE	2.362	0	Anodyne	ref	FEAARN	O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12	fda
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(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F	ZINC000001081128	36/63/01/219366301	DIOHEXPTUTVCNX-UHFFFAOYSA-N	0	357.253	FE	2.192	0	Anodyne	ref	FEAARN	O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F	 
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
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)O	ZINC000002391692	34/79/73/539347973	SREPAMKILVVDSP-CQSZACIVSA-N	-1	364.398	FE	2.329	0	Anodyne	ref	FEAARM	CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-]	 
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
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000004216862	12/69/11/204126911	PIDANAQULIKBQS-RNUIGHNZSA-N	0	372.461	FE	2.012	0	Mild	ref	FEEARN	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	in-man
NC(=O)c1ccc(OC[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	ZINC000004475340	17/64/09/206176409	HFHFPCVDUCBNLG-IBGZPJMESA-N	0	370.424	FE	2.454	1	Anodyne	mid	FEAAMN	NC(=O)c1ccc(OC[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	in-vitro
NC(=O)c1ccc(OC[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	ZINC000004475340	17/64/05/206176405	HFHFPCVDUCBNLG-IBGZPJMESA-N	1	370.424	FE	2.454	1	Anodyne	mid	FEAAMO	NC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1	in-vitro
NC(=O)c1ccc(OC[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	ZINC000004475340	17/63/98/206176398	HFHFPCVDUCBNLG-IBGZPJMESA-N	1	370.424	FE	2.454	0	Anodyne	ref	FEAARO	NC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1	in-vitro
NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	ZINC000004475341	17/67/51/206176751	HFHFPCVDUCBNLG-LJQANCHMSA-N	0	370.424	FE	2.454	1	Anodyne	mid	FEAAMN	NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	in-vitro
NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	ZINC000004475341	17/67/46/206176746	HFHFPCVDUCBNLG-LJQANCHMSA-N	1	370.424	FE	2.454	1	Anodyne	mid	FEAAMO	NC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1	in-vitro
NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1	ZINC000004475341	17/67/41/206176741	HFHFPCVDUCBNLG-LJQANCHMSA-N	1	370.424	FE	2.454	0	Anodyne	ref	FEAARO	NC(=O)c1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1	in-vitro
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000021983617	69/06/90/539690690	PIDANAQULIKBQS-YHOQKLRXSA-N	0	372.461	FE	2.012	0	Anodyne	ref	FEABRN	C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	 
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000021983619	69/06/31/539690631	PIDANAQULIKBQS-OZCCCYNHSA-N	0	372.461	FE	2.012	0	Anodyne	ref	FEABRN	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	 
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	ZINC000021983620	69/07/66/539690766	PIDANAQULIKBQS-LXMVBGCASA-N	0	372.461	FE	2.012	0	Anodyne	ref	FEABRN	C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO	 
C[C@@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000021986082	69/05/58/539690558	OOZLYRJGBGUXJY-GHMZBOCLSA-N	0	360.385	FE	2.307	2	Anodyne	low	FEABLN	C[C@@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	 
C[C@@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000021986082	69/05/50/539690550	OOZLYRJGBGUXJY-GHMZBOCLSA-N	-1	360.385	FE	2.307	0	Anodyne	ref	FEABRM	C[C@@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	 
C[C@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000021986084	69/07/81/539690781	OOZLYRJGBGUXJY-WDEREUQCSA-N	0	360.385	FE	2.307	2	Anodyne	low	FEABLN	C[C@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	 
C[C@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000021986084	69/07/77/539690777	OOZLYRJGBGUXJY-WDEREUQCSA-N	-1	360.385	FE	2.307	0	Anodyne	ref	FEABRM	C[C@H]1CCc2c(N3CCC[C@@H](O)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	 
CO/N=C(\C(=O)Sc1nc2ccccc2s1)c1nsc(N)n1	ZINC000021992460	37/21/26/220372126	XJESSAAEFWMELV-PXNMLYILSA-N	0	351.438	FE	2.399	0	Mild	ref	FEEARN	CO/N=C(\C(=O)Sc1nc2ccccc2s1)c1nsc(N)n1	 
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1	ZINC000034853956	97/77/13/539977713	IHOXNOQMRZISPV-YJYMSZOUSA-N	0	368.433	FE	2.497	3	Anodyne	high	FEAAHN	COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([O-])c3[nH]c(=O)ccc23)cc1	investigational
COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1	ZINC000034853956	97/77/05/539977705	IHOXNOQMRZISPV-YJYMSZOUSA-N	1	368.433	FE	2.497	0	Anodyne	ref	FEAARO	COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1	investigational
C[C@@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000035565249	11/81/42/136118142	OOZLYRJGBGUXJY-MNOVXSKESA-N	0	360.385	FE	2.307	2	Anodyne	low	FEABLN	C[C@@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	 
C[C@@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000035565249	11/81/41/136118141	OOZLYRJGBGUXJY-MNOVXSKESA-N	-1	360.385	FE	2.307	0	Anodyne	ref	FEABRM	C[C@@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	 
C[C@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000035565250	11/80/73/136118073	OOZLYRJGBGUXJY-QWRGUYRKSA-N	0	360.385	FE	2.307	2	Anodyne	low	FEABLN	C[C@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	 
C[C@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23	ZINC000035565250	11/80/72/136118072	OOZLYRJGBGUXJY-QWRGUYRKSA-N	-1	360.385	FE	2.307	0	Anodyne	ref	FEABRM	C[C@H]1CCc2c(N3CCC[C@H](O)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c23	 
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
O=C1C=CC=C/C1=C1/N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1	ZINC000100022643	22/20/48/206222048	FMSOAWSKCWYLBB-MXWIWYRXSA-N	-1	373.368	FE	2.112	3	Mild	high	FEEAHM	O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)[O-])cc2)N1	 
O=C1C=CC=C/C1=C1/N/C(=C2/C=CC=CC2=O)N(c2ccc(C(=O)O)cc2)N1	ZINC000100022643	22/20/43/206222043	FMSOAWSKCWYLBB-MXWIWYRXSA-N	0	373.368	FE	2.112	0	Mild	ref	FEEARN	O=C1C=CC=CC1=C1NC(=C2C=CC=CC2=O)N(c2ccc(C(=O)[O-])cc2)[NH2+]1