smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@](CC(=O)[O-])(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1	ZINC000066349336	569298696	/nfs/dbraw/zinc/29/86/96/569298696.db2.gz	BRQNRBLHGWITIA-XMMPIXPASA-N	-1	0	432.432	3.579	10	5		IHBERM
CCO[C@@H]1C[C@](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439713777	939197843	/nfs/dbraw/zinc/19/78/43/939197843.db2.gz	JZEVNMDJZPNUJO-GCJKJVERSA-N	-1	0	427.457	3.727	10	5		IHBERM
CCO[C@H]1C[C@@](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439713778	939197825	/nfs/dbraw/zinc/19/78/25/939197825.db2.gz	JZEVNMDJZPNUJO-PGRDOPGGSA-N	-1	0	427.457	3.727	10	5		IHBERM
CCO[C@@H]1C[C@@](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439713779	939197819	/nfs/dbraw/zinc/19/78/19/939197819.db2.gz	JZEVNMDJZPNUJO-XMSQKQJNSA-N	-1	0	427.457	3.727	10	5		IHBERM
CCO[C@H]1C[C@](NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439713776	939197731	/nfs/dbraw/zinc/19/77/31/939197731.db2.gz	JZEVNMDJZPNUJO-AVRDEDQJSA-N	-1	0	427.457	3.727	10	5		IHBERM
O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000001776493	562924629	/nfs/dbraw/zinc/92/46/29/562924629.db2.gz	HZLXCGJJQAOSHK-VIZOYTHASA-N	-1	0	433.829	3.629	10	5		IHBERM
CCO[C@H]1C[C@@](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439716489	939200070	/nfs/dbraw/zinc/20/00/70/939200070.db2.gz	HWOWHRNGPUJTMU-WMZHIEFXSA-N	-1	0	441.484	3.595	10	5		IHBERM
CCO[C@H]1C[C@](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439716488	939199989	/nfs/dbraw/zinc/19/99/89/939199989.db2.gz	HWOWHRNGPUJTMU-CVDCTZTESA-N	-1	0	441.484	3.595	10	5		IHBERM
CCO[C@@H]1C[C@@](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439716487	939200033	/nfs/dbraw/zinc/20/00/33/939200033.db2.gz	HWOWHRNGPUJTMU-AUSIDOKSSA-N	-1	0	441.484	3.595	10	5		IHBERM
CCO[C@@H]1C[C@](NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C	ZINC000439716490	939199915	/nfs/dbraw/zinc/19/99/15/939199915.db2.gz	HWOWHRNGPUJTMU-XXBNENTESA-N	-1	0	441.484	3.595	10	5		IHBERM