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[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn3cc(Cl)ccc3n2)[nH]1	ZINC000352022543	162033218	/nfs/dbraw/zinc/03/32/18/162033218.db2.gz	ZDXVOLHLQUVIBD-IHWYPQMZSA-N	-2	2	333.691	2.268	20	5		EEBDLL
C[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1	ZINC001234118803	1304750133	/nfs/dbraw/zinc/75/01/33/1304750133.db2.gz	JRNNLFSPFVGKHO-JTQLQIEISA-N	-2	2	343.335	2.146	20	5		EEBDLL
COc1ccc(O)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000342615042	161078039	/nfs/dbraw/zinc/07/80/39/161078039.db2.gz	KILSIRMYJYNICY-UHFFFAOYSA-N	-2	2	338.341	2.418	20	5		EEBDLL
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn3cc(Cl)ccc3n2)[nH]1	ZINC000352022544	162032923	/nfs/dbraw/zinc/03/29/23/162032923.db2.gz	ZDXVOLHLQUVIBD-NSCUHMNNSA-N	-2	2	333.691	2.268	20	5		EEBDLL
C[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(O)ccc(O)c4c(=O)c23)C1	ZINC001234118806	1304751140	/nfs/dbraw/zinc/75/11/40/1304751140.db2.gz	JRNNLFSPFVGKHO-SNVBAGLBSA-N	-2	2	343.335	2.146	20	5		EEBDLL
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc2ccccc2c1O	ZINC000611294785	469222319	/nfs/dbraw/zinc/22/23/19/469222319.db2.gz	KFWYAFSXUWGXGB-UHFFFAOYSA-N	-2	2	325.280	2.394	20	5		EEBDLL