smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+](C)(C)Cc4c([N+](=O)[O-])ncn4C)c3nc12	ZINC000005543442	562934179	/nfs/dbraw/zinc/93/41/79/562934179.db2.gz	IVJHUNMZFWXMGG-UHFFFAOYSA-O	1	3	462.534	2.927	1	10		JFCFHO
CC(C)CNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)C[NH2+]CC(C)C)ccc1C2=O	ZINC000040429839	563143437	/nfs/dbraw/zinc/14/34/37/563143437.db2.gz	BTABHVPIAAKKHL-UHFFFAOYSA-N	1	3	464.566	2.830	1	10	in-vivo	JFCFHO
CC[N@H+](CCNC(=O)[C@@H](N)[C@@H](C)O)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045284774	563183703	/nfs/dbraw/zinc/18/37/03/563183703.db2.gz	OXJCULJANWWDNP-CMJOXMDJSA-N	1	3	471.989	2.984	1	10		JFCFHO
CC[N@@H+](CCNC(=O)[C@@H](N)[C@@H](C)O)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O	ZINC000045284774	563183704	/nfs/dbraw/zinc/18/37/04/563183704.db2.gz	OXJCULJANWWDNP-CMJOXMDJSA-N	1	3	471.989	2.984	1	10		JFCFHO