smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)C[NH3+])C(=O)[O-]	ZINC000012496591	555990596	/nfs/dbraw/zinc/99/05/96/555990596.db2.gz	UEJYSALTSUZXFV-SRVKXCTJSA-N	1	0	456.504	-3.481	10	0	endogenous,in-man	JAAERO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1)C(N)=O	ZINC000012504132	525138692	/nfs/dbraw/zinc/13/86/92/525138692.db2.gz	YVUUZAPYLPWFHE-GBBGEASQSA-N	1	0	459.547	-1.111	10	0		JAAERO
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(N)=O	ZINC000013798353	555620474	/nfs/dbraw/zinc/62/04/74/555620474.db2.gz	YVUUZAPYLPWFHE-HXFGRODQSA-N	1	0	459.547	-1.111	10	0	in-vivo	JAAERO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000015721431	555955946	/nfs/dbraw/zinc/95/59/46/555955946.db2.gz	YVHCULPWZYVJEK-IHRRRGAJSA-N	1	0	465.515	-2.781	10	0		JAAERO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)C[NH3+])C(=O)[O-]	ZINC000032790236	556495169	/nfs/dbraw/zinc/49/51/69/556495169.db2.gz	UEJYSALTSUZXFV-SDDRHHMPSA-N	1	0	456.504	-3.691	10	0		JAAERO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)C[NH3+])C(=O)[O-]	ZINC000032790239	556495021	/nfs/dbraw/zinc/49/50/21/556495021.db2.gz	UEJYSALTSUZXFV-GRYCIOLGSA-N	1	0	456.504	-3.691	10	0		JAAERO
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)C[NH3+])C(=O)[O-]	ZINC000039308926	569809404	/nfs/dbraw/zinc/80/94/04/569809404.db2.gz	UEJYSALTSUZXFV-WOPDTQHZSA-N	1	0	456.504	-3.691	10	0		JAAERO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3C(=O)C3CC3)C(=O)[C@@H]3C[C@@H](C[NH2+]3)N1)[C@@H](O)[C@H]2O	ZINC000096129468	569736224	/nfs/dbraw/zinc/73/62/24/569736224.db2.gz	JCRGDMHDRXXPBA-VFBJOFAASA-N	1	0	465.507	-3.708	10	0		JAAERO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)N(C(C)C)C3)[C@H](O)[C@@H]2O	ZINC000096129470	569736252	/nfs/dbraw/zinc/73/62/52/569736252.db2.gz	LWUITXACLGJRFQ-QMFSJDNRSA-N	1	0	468.551	-2.077	10	0		JAAERO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](CC1CC1)C3)[C@H](O)[C@@H]2O	ZINC000097976482	569748370	/nfs/dbraw/zinc/74/83/70/569748370.db2.gz	HTTZOBUHCOJKCI-WREBCAICSA-N	1	0	480.562	-2.076	10	0		JAAERO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C(C)C)C3)[C@H](O)[C@@H]1O	ZINC000108316751	569859458	/nfs/dbraw/zinc/85/94/58/569859458.db2.gz	KPXUFYIZEQLXGY-SHUFMVBLSA-N	1	0	481.550	-2.978	10	0		JAAERO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](C1CCCC1)C3)[C@H](O)[C@@H]2O	ZINC000108317614	569859495	/nfs/dbraw/zinc/85/94/95/569859495.db2.gz	IKUUSBKYEUFZOX-NYWUXBNHSA-N	1	0	494.589	-1.543	10	0		JAAERO