smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC[NH+](CCO)CCO)c2cc1CC	ZINC000001589442	569012617	/nfs/dbraw/zinc/01/26/17/569012617.db2.gz	WGTYXAXOQRKOSK-UHFFFAOYSA-N	1	2	401.467	-0.004	50	5		HBBALO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000019830899	569430861	/nfs/dbraw/zinc/43/08/61/569430861.db2.gz	KRCDJKZQWBGVBO-UHFFFAOYSA-N	1	2	400.457	-0.270	50	5		HBBALO
NS(=O)(=O)c1ccc(NNC(=S)NCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000023230732	559063576	/nfs/dbraw/zinc/06/35/76/559063576.db2.gz	KJBHMCLKSQDUIJ-UHFFFAOYSA-N	1	2	404.474	-0.635	50	5		HBBALO
CCNC(=O)C[NH+]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1	ZINC000029672710	568828555	/nfs/dbraw/zinc/82/85/55/568828555.db2.gz	SVIKPJWLEANGGI-UHFFFAOYSA-N	1	2	420.426	-0.382	50	5		HBBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(Nc3cnn(CC(N)=O)c3)c([N+](=O)[O-])c2)CC1	ZINC000040152835	571200514	/nfs/dbraw/zinc/20/05/14/571200514.db2.gz	FECGYUSOXQRNMO-UHFFFAOYSA-N	1	2	423.455	-0.044	50	5		HBBALO
C[NH+]1CCN(S(=O)(=O)N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CC1	ZINC000048314877	568438060	/nfs/dbraw/zinc/43/80/60/568438060.db2.gz	JEHUPMVFCRMYSA-UHFFFAOYSA-N	1	2	415.501	-0.082	50	5		HBBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3C[C@H](O)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1	ZINC000089382731	569058796	/nfs/dbraw/zinc/05/87/96/569058796.db2.gz	AJBKUCIPRYHNBX-CHWSQXEVSA-N	1	2	400.457	-0.537	50	5		HBBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3C[C@@H](O)C[C@@H]3CO)c([N+](=O)[O-])c2)CC1	ZINC000089382732	569058763	/nfs/dbraw/zinc/05/87/63/569058763.db2.gz	AJBKUCIPRYHNBX-OLZOCXBDSA-N	1	2	400.457	-0.537	50	5		HBBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3C[C@@H](O)C[C@H]3CO)c([N+](=O)[O-])c2)CC1	ZINC000107542602	560896586	/nfs/dbraw/zinc/89/65/86/560896586.db2.gz	AJBKUCIPRYHNBX-STQMWFEESA-N	1	2	400.457	-0.537	50	5		HBBALO
C[NH+]1CCN(S(=O)(=O)c2ccc(N3C[C@H](O)C[C@H]3CO)c([N+](=O)[O-])c2)CC1	ZINC000107542607	560896639	/nfs/dbraw/zinc/89/66/39/560896639.db2.gz	AJBKUCIPRYHNBX-QWHCGFSZSA-N	1	2	400.457	-0.537	50	5		HBBALO