CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576004	33/31/72/209333172	LYALYFZHXCPBAR-HOTGVXAUSA-N	0	388.424	GD	1.473	2	Anodyne	low	GDABLN	CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576004	33/31/69/209333169	LYALYFZHXCPBAR-HOTGVXAUSA-N	0	388.424	GD	1.473	2	Anodyne	low	GDABLN	CC(C)[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576004	33/31/65/209333165	LYALYFZHXCPBAR-HOTGVXAUSA-N	-1	388.424	GD	1.473	1	Anodyne	mid	GDABMM	CC(C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576004	33/31/61/209333161	LYALYFZHXCPBAR-HOTGVXAUSA-N	-1	388.424	GD	1.473	0	Anodyne	ref	GDABRM	CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576005	25/09/72/212250972	LYALYFZHXCPBAR-JKSUJKDBSA-N	0	388.424	GD	1.473	2	Anodyne	low	GDABLN	CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576005	25/09/71/212250971	LYALYFZHXCPBAR-JKSUJKDBSA-N	0	388.424	GD	1.473	2	Anodyne	low	GDABLN	CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576005	25/09/67/212250967	LYALYFZHXCPBAR-JKSUJKDBSA-N	-1	388.424	GD	1.473	1	Anodyne	mid	GDABMM	CC(C)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)O	ZINC000001576005	25/09/64/212250964	LYALYFZHXCPBAR-JKSUJKDBSA-N	-1	388.424	GD	1.473	0	Anodyne	ref	GDABRM	CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-]	 
C[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O	ZINC000002597041	53/25/02/530532502	ZMYJTGDNFZJYFN-MFWXUWBHSA-N	0	392.633	GD	1.79	0	Anodyne	ref	GDAARN	C[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@H](O)[C@@H](O)[C@H]1O	in-vitro
N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000003861791	19/03/37/560190337	RKDYKIHMFYAPMZ-INIZCTEOSA-N	1	398.423	GD	1.595	0	Bother	ref	GDBARO	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	in-vitro
N=C(N)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000003861792	19/03/39/560190339	RKDYKIHMFYAPMZ-MRXNPFEDSA-N	1	398.423	GD	1.595	0	Bother	ref	GDBARO	NC(=[NH2+])NCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	in-vitro
C[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004534169	05/12/29/204051229	ZMYJTGDNFZJYFN-XPOPOGJMSA-N	0	392.633	GD	1.79	0	Anodyne	ref	GDABRN	C[C@H]1O[C@@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H](O)[C@H]1O	 
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899461	56/88/70/206568870	XYOTUDBGVBTGAX-QWRGUYRKSA-N	0	380.401	GD	1.951	0	Bother	ref	GDBARN	C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	 
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@@H]1CC(O)=NC1=O	ZINC000043919276	63/10/24/570631024	XOTCDWIBWFJRPL-QWHCGFSZSA-N	0	378.381	GD	1.627	0	Anodyne	ref	GDABRN	CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O[C@@H]1CC(=O)NC1=O	 
CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(O)=NC1=O	ZINC000064219372	18/94/36/205189436	KPKWYAUCEFACGX-QWHCGFSZSA-N	0	380.422	GD	1.833	0	Anodyne	ref	GDABRN	CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H]1CC(=O)NC1=O	 
CC(C)(C)OC(=O)N([C@@H](CC(=O)O)C(=O)O[C@@H]1CC(O)=NC1=O)C(C)(C)C	ZINC000064219606	07/06/97/222070697	RJWYZHDRZJNCSZ-VHSXEESVSA-N	-1	386.401	GD	1.664	0	Anodyne	ref	GDABRM	CC(C)(C)OC(=O)N([C@@H](CC(=O)[O-])C(=O)O[C@@H]1CC(=O)NC1=O)C(C)(C)C	 
CC(C)(C)OC(=O)N([C@H](CC(=O)O)C(=O)O[C@@H]1CC(O)=NC1=O)C(C)(C)C	ZINC000064219609	18/82/53/205188253	RJWYZHDRZJNCSZ-NXEZZACHSA-N	-1	386.401	GD	1.664	0	Anodyne	ref	GDABRM	CC(C)(C)OC(=O)N([C@H](CC(=O)[O-])C(=O)O[C@@H]1CC(=O)NC1=O)C(C)(C)C	 
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O[C@@H]1CC(O)=NC1=O	ZINC000064219619	18/82/68/205188268	ZYBRHYZYBOSHOC-UONOGXRCSA-N	0	392.408	GD	1.895	0	Anodyne	ref	GDABRN	CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O[C@@H]1CC(=O)NC1=O	 
O=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O	ZINC000076945254	42/24/68/526422468	XPKIVYVYXKPGBP-UHFFFAOYSA-N	0	396.396	GD	1.322	0	Mild	ref	GDEARN	O=C(CCCCCCCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O	in-vitro
O=C1C[C@H](OC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1	ZINC000100497611	37/69/35/208376935	ZSJDCFPEYKMERQ-KRWDZBQOSA-N	0	394.383	GD	1.483	0	Anodyne	ref	GDABRN	O=C1C[C@H](OC(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1	 
O=C1C[C@@H](OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1	ZINC000100498332	27/27/27/570272727	ZLBHNDFIHZRKHF-DLBZAZTESA-N	0	396.399	GD	1.482	0	Anodyne	ref	GDABRN	O=C1C[C@@H](OC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N1	 
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O[C@H]1CC(=O)NC1=O	ZINC000100499030	37/56/70/208375670	ZYBRHYZYBOSHOC-KBPBESRZSA-N	0	392.408	GD	1.055	0	Anodyne	ref	GDABRN	CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)O[C@H]1CC(=O)NC1=O