smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C(=O)N1	ZINC000059490009	568708216	/nfs/dbraw/zinc/70/82/16/568708216.db2.gz	QKIYBGIGFSMLAC-UHFFFAOYSA-N	-1	0	424.395	-0.454	40	10		HBCBRM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNC34CN5CN(CN(C5)C3)C4)C2=O)cc1	ZINC000408533097	557316226	/nfs/dbraw/zinc/31/62/26/557316226.db2.gz	OCLKAIKRPKOAQW-FRKPEAEDSA-N	-1	0	412.450	-0.300	40	10		HBCBRM
O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2	ZINC000408533829	557318184	/nfs/dbraw/zinc/31/81/84/557318184.db2.gz	PGLINYWAUXURGB-LFYBBSHMSA-N	-1	0	402.842	-0.046	40	10		HBCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)NC3=O)c(N3CCOCC3)cc2n(C)c1=O	ZINC000408534291	557320616	/nfs/dbraw/zinc/32/06/16/557320616.db2.gz	QDRZTWHSMDTNKV-UHFFFAOYSA-N	-1	0	400.395	-0.625	40	10		HBCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(C)C3=O)c(N3CCOCC3)cc2n(C)c1=O	ZINC000408534965	557313436	/nfs/dbraw/zinc/31/34/36/557313436.db2.gz	RYPDPURHLVEVJI-ZHACJKMWSA-N	-1	0	414.422	-0.282	40	10		HBCBRM