smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O	ZINC000077311722	553663048	/nfs/dbraw/zinc/66/30/48/553663048.db2.gz	HXQAUFSCNOLKJP-NMEFWLLUSA-N	0	0	545.498	-3.115	10	5	in-vitro	KABERN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000077311729	553663058	/nfs/dbraw/zinc/66/30/58/553663058.db2.gz	HWBFEVWOQMUQIE-POPYIZTESA-N	0	0	545.498	-3.115	10	5	in-vitro	KABERN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000077311731	553663015	/nfs/dbraw/zinc/66/30/15/553663015.db2.gz	VQYVGLNPBRTHNR-NMEFWLLUSA-N	0	0	545.498	-3.115	10	5	in-vitro	KABERN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000077311733	553663062	/nfs/dbraw/zinc/66/30/62/553663062.db2.gz	VQYVGLNPBRTHNR-VHMNXSECSA-N	0	0	545.498	-3.115	10	5	in-vitro	KABERN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H]1CO	ZINC000077311808	553663039	/nfs/dbraw/zinc/66/30/39/553663039.db2.gz	HWBFEVWOQMUQIE-MVEDJEFUSA-N	0	0	545.498	-3.115	10	5	in-vitro	KABERN
CC(=O)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000077311816	553663019	/nfs/dbraw/zinc/66/30/19/553663019.db2.gz	FLQHJPDCSMJRET-DPQONFQJSA-N	0	0	589.503	-1.690	10	5	in-vitro	KABERN
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311833	553663339	/nfs/dbraw/zinc/66/33/39/553663339.db2.gz	PZFOIXKCWZUCOH-VAMOREDXSA-N	0	0	631.540	-1.119	10	5	in-vitro	KABERN
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311835	553663322	/nfs/dbraw/zinc/66/33/22/553663322.db2.gz	LYPFIEVGQZYJCZ-WVQZJGGASA-N	0	0	631.540	-1.119	10	5	in-vitro	KABERN
CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](Oc3ccc([N+](=O)[O-])cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077311844	553663357	/nfs/dbraw/zinc/66/33/57/553663357.db2.gz	PZFOIXKCWZUCOH-VDWIOFMPSA-N	0	0	631.540	-1.119	10	5	in-vitro	KABERN
CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O	ZINC000299872212	572140657	/nfs/dbraw/zinc/14/06/57/572140657.db2.gz	FUPWLJZWXWMTDI-RQDIJNAHSA-N	0	0	828.841	-1.798	10	5		KABERN