smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc([N-][C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+](=O)[O-]	ZINC000003814318	374143222	/nfs/dbraw/zinc/14/32/22/374143222.db2.gz	OHEMBWZZEKCBAS-UUOKFMHZSA-N	-1	0	287.232	-2.182	10	5	endogenous,in-man	CABERM
O=C([O-])CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000035384258	172166769	/nfs/dbraw/zinc/16/67/69/172166769.db2.gz	JJVJIMSKAWFKCV-UHFFFAOYSA-N	-1	0	270.201	-1.147	10	5		CABERM
NC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-]	ZINC000020215083	171077163	/nfs/dbraw/zinc/07/71/63/171077163.db2.gz	ADQQFSXNKWJZLS-LURJTMIESA-N	-1	0	270.201	-1.019	10	5		CABERM
Cn1c(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000020215097	171077202	/nfs/dbraw/zinc/07/72/02/171077202.db2.gz	FFGBVDGLYSENKS-YFKPBYRVSA-N	-1	0	284.228	-1.008	10	5		CABERM
NC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)[O-]	ZINC000020215117	171077301	/nfs/dbraw/zinc/07/73/01/171077301.db2.gz	FGVMLKYTUNHKAZ-YFKPBYRVSA-N	-1	0	270.201	-1.019	10	5		CABERM
O=C([O-])[C@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000037451662	173218068	/nfs/dbraw/zinc/21/80/68/173218068.db2.gz	NHORYDDOTOHNJX-LURJTMIESA-N	-1	0	271.185	-1.542	10	5		CABERM
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000020215092	171077157	/nfs/dbraw/zinc/07/71/57/171077157.db2.gz	UASNZMGOCDLTPH-LURJTMIESA-N	-1	0	284.228	-1.008	10	5		CABERM
NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)[O-]	ZINC000020215114	171077610	/nfs/dbraw/zinc/07/76/10/171077610.db2.gz	FGVMLKYTUNHKAZ-RXMQYKEDSA-N	-1	0	270.201	-1.019	10	5		CABERM
NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(=O)[O-]	ZINC000020215080	171077241	/nfs/dbraw/zinc/07/72/41/171077241.db2.gz	ADQQFSXNKWJZLS-ZCFIWIBFSA-N	-1	0	270.201	-1.019	10	5		CABERM
O=C([O-])CNC(=O)CNC(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000035384273	172166452	/nfs/dbraw/zinc/16/64/52/172166452.db2.gz	XDQPILWAVHPSNT-UHFFFAOYSA-N	-1	0	270.201	-1.147	10	5		CABERM
O=C([O-])[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	ZINC000037451663	173218034	/nfs/dbraw/zinc/21/80/34/173218034.db2.gz	NHORYDDOTOHNJX-ZCFIWIBFSA-N	-1	0	271.185	-1.542	10	5		CABERM