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](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H]1NC(C)=O	ZINC000077311720	553663022	/nfs/dbraw/zinc/66/30/22/553663022.db2.gz	HXQAUFSCNOLKJP-VHMNXSECSA-N	0	0	545.498	-3.115	40	5	in-vitro	KABBRN
O=[N+]([O-])C(OC(OC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(OC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000095100314	553698526	/nfs/dbraw/zinc/69/85/26/553698526.db2.gz	ZMEBFHXJNOAOIE-UHFFFAOYSA-N	0	0	676.111	-4.570	40	5		KABBRN
O=C1c2cc(S(=O)(=O)N(CCO)CCO)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)N(CCO)CCO)cc2[N+](=O)[O-]	ZINC000100499835	554405214	/nfs/dbraw/zinc/40/52/14/554405214.db2.gz	SRMXABWIHPOIMV-UHFFFAOYSA-N	0	0	604.572	-1.335	40	5		KABBRN
O=c1oc2cc(S(=O)(=O)N(CCO)CCO)ccc2c2ccc(S(=O)(=O)N(CCO)CCO)cc12	ZINC000102415383	1066231909	/nfs/dbraw/zinc/23/19/09/1066231909.db2.gz	WZOKWFYKLUCFBM-UHFFFAOYSA-N	0	0	530.577	-1.103	40	5		KABBRN
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	ZINC000263616273	572130775	/nfs/dbraw/zinc/13/07/75/572130775.db2.gz	HWBFEVWOQMUQIE-BFKOZBEUSA-N	0	0	545.498	-3.115	40	5	in-vitro	KABBRN