smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCC(=O)NCCN(CCNC(=O)Cc1cnc[nH]1)CCNC(=O)c1c2ccccc2nc2ccccc21	ZINC000026153823	561767990	/nfs/dbraw/zinc/76/79/90/561767990.db2.gz	VYAFJRTZRROSPZ-UHFFFAOYSA-N	1	3	530.633	0.967	1	5		KCBFHO
CC(=O)NCCNCCNCn1c(=O)c2ccc3c4ccc5c(=O)n(CNCC[NH2+]CCNC(C)=O)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56	ZINC000029132892	562003477	/nfs/dbraw/zinc/00/34/77/562003477.db2.gz	YABMJACHFJHRJF-UHFFFAOYSA-N	1	3	704.788	0.509	1	5		KCBFHO
CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)NCCCC[C@H]([NH3+])C(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000082186126	562742384	/nfs/dbraw/zinc/74/23/84/562742384.db2.gz	HZOFYHIJJYTFES-XAXKJMDRSA-N	1	3	667.768	0.855	1	5		KCBFHO
CC(C)[C@H](N)C(=O)N[C@H](CCC(=O)NCCCC[C@H]([NH3+])C(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000082186132	562742420	/nfs/dbraw/zinc/74/24/20/562742420.db2.gz	HZOFYHIJJYTFES-OSADXMDESA-N	1	3	667.768	0.855	1	5		KCBFHO
CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)NCCCC[C@@H]([NH3+])C(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000195459602	562871973	/nfs/dbraw/zinc/87/19/73/562871973.db2.gz	HZOFYHIJJYTFES-CGHRXAFASA-N	1	3	667.768	0.855	1	5		KCBFHO
CC(C)[C@H](N)C(=O)N[C@H](CCC(=O)NCCCC[C@@H]([NH3+])C(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000195459613	562871968	/nfs/dbraw/zinc/87/19/68/562871968.db2.gz	HZOFYHIJJYTFES-LXHIVTORSA-N	1	3	667.768	0.855	1	5		KCBFHO