smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1ccc2cc3c(=O)[nH]c(=O)[nH]c3n(C[C@H](O)[C@H](O)[C@H](O)CO)c-2c1	ZINC000014967250	560228085	/nfs/dbraw/zinc/22/80/85/560228085.db2.gz	HJMIIBXYFPJZBP-XQQFMLRXSA-N	0	0	363.326	-2.030	10	5	in-vitro	FABERN
O=[N+]([O-])C(COCOCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000111346981	482843572	/nfs/dbraw/zinc/84/35/72/482843572.db2.gz	KAQKSOOCNAKEDV-UHFFFAOYSA-N	0	0	374.131	-2.055	10	5		FABERN
CC(CN1CC(O)CN(CC(C)([N+](=O)[O-])[N+](=O)[O-])C1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000584656917	483284114	/nfs/dbraw/zinc/28/41/14/483284114.db2.gz	TULDHGJIFPRWEJ-UHFFFAOYSA-N	0	0	366.287	-1.538	10	5		FABERN