smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc2cc3c(cc2c1)nccc3NCC[NH+]1CCCC1	ZINC000033632750	567887147	/nfs/dbraw/zinc/88/71/47/567887147.db2.gz	AJWPBWQAQQJXGQ-UHFFFAOYSA-N	1	1	291.398	3.896	40	5		CHBBMO
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2)c(Cl)c1	ZINC000049963070	567946965	/nfs/dbraw/zinc/94/69/65/567946965.db2.gz	FNMFPBCZXDYCQD-UHFFFAOYSA-N	1	1	276.723	3.538	40	5		CHBBMO
O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2Cl)c1	ZINC000016449769	566960230	/nfs/dbraw/zinc/96/02/30/566960230.db2.gz	UJWIRUMFFBDHII-UHFFFAOYSA-N	1	1	276.723	3.538	40	5		CHBBMO
O=[N+]([O-])c1ccccc1Nc1cc[nH+]c2ccccc12	ZINC000072242841	176349154	/nfs/dbraw/zinc/34/91/54/176349154.db2.gz	DKJMESUBSFNURK-UHFFFAOYSA-N	1	1	265.272	3.887	40	5		CHBBMO
O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cl)cc1	ZINC000016449748	566959875	/nfs/dbraw/zinc/95/98/75/566959875.db2.gz	WGFOUFZLQOBJBU-UHFFFAOYSA-N	1	1	276.723	3.538	40	5		CHBBMO