smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]1[NH3+]	ZINC000004095654	545761587	/nfs/dbraw/zinc/76/15/87/545761587.db2.gz	SYJXFKPQNSDJLI-HKEUSBCWSA-N	3	1	322.362	-5.116	50	0	in-vivo	DAAAMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@H](O)[C@@H](O)[C@H]1[NH3+]	ZINC000245224243	373131677	/nfs/dbraw/zinc/13/16/77/373131677.db2.gz	SYJXFKPQNSDJLI-KSXKHGLLSA-N	3	1	322.362	-5.116	50	0		DAAAMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@H](O)[C@H](O)[C@H]1[NH3+]	ZINC000245224242	295260634	/nfs/dbraw/zinc/26/06/34/295260634.db2.gz	SYJXFKPQNSDJLI-KFRVGZDBSA-N	3	1	322.362	-5.116	50	0		DAAAMP
O=C1C[NH2+]CCN1[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1	ZINC000864094143	663928512	/nfs/dbraw/zinc/92/85/12/663928512.db2.gz	HRQOKUKJWDXFIJ-JTQLQIEISA-N	2	1	302.400	-1.816	50	0		DAAAMP
COCC[NH+]1CCC(C[N@H+]2CCN3C(=O)CNC(=O)[C@H]3C2)CC1	ZINC000065533608	285008889	/nfs/dbraw/zinc/00/88/89/285008889.db2.gz	LMBFLDTZTWPMTM-CQSZACIVSA-N	2	1	324.425	-1.013	50	0		DAAAMP
O=C1C[NH2+]CCN1[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1	ZINC000864094144	663928371	/nfs/dbraw/zinc/92/83/71/663928371.db2.gz	HRQOKUKJWDXFIJ-SNVBAGLBSA-N	2	1	302.400	-1.816	50	0		DAAAMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]1[NH3+]	ZINC000245224241	373131498	/nfs/dbraw/zinc/13/14/98/373131498.db2.gz	SYJXFKPQNSDJLI-HHCLWYRDSA-N	3	1	322.362	-5.116	50	0		DAAAMP
OCCN1CC[NH+](CCO)CCOCC[N@H+](CCO)CC1	ZINC000019361065	372805505	/nfs/dbraw/zinc/80/55/05/372805505.db2.gz	TUENNYSZDXTGLN-UHFFFAOYSA-N	2	1	305.419	-2.101	50	0		DAAAMP
N[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](C[NH3+])[C@@H](O)[C@@H](O)[C@H]1[NH3+]	ZINC000059846619	295260641	/nfs/dbraw/zinc/26/06/41/295260641.db2.gz	SYJXFKPQNSDJLI-QJDHDDNUSA-N	3	1	322.362	-5.116	50	0	in-vitro	DAAAMP
COCC[NH+]1CCC(C[N@H+]2CCN3C(=O)CNC(=O)[C@@H]3C2)CC1	ZINC000065533605	277219168	/nfs/dbraw/zinc/21/91/68/277219168.db2.gz	LMBFLDTZTWPMTM-AWEZNQCLSA-N	2	1	324.425	-1.013	50	0		DAAAMP