smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100671523	436547630	/nfs/dbraw/zinc/54/76/30/436547630.db2.gz	QOJWPAGWJUVIRS-QWRGUYRKSA-N	-2	3	346.299	0.364	50	5		ECBAHL
NS(=O)(=O)c1ccc([O-])c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000012620605	436055160	/nfs/dbraw/zinc/05/51/60/436055160.db2.gz	MBTQOIIKKSIKEJ-UHFFFAOYSA-N	-2	3	327.274	0.793	50	5		ECBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000004873375	210310608	/nfs/dbraw/zinc/31/06/08/210310608.db2.gz	OWQOAHQMXWIAFZ-MNOVXSKESA-N	-2	3	346.299	0.284	50	5		ECBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100949820	219112877	/nfs/dbraw/zinc/11/28/77/219112877.db2.gz	OWQOAHQMXWIAFZ-WDEREUQCSA-N	-2	3	346.299	0.284	50	5		ECBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100949821	204000413	/nfs/dbraw/zinc/00/04/13/204000413.db2.gz	OWQOAHQMXWIAFZ-QWRGUYRKSA-N	-2	3	346.299	0.284	50	5		ECBAHL
CC(C)OC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101363267	204004611	/nfs/dbraw/zinc/00/46/11/204004611.db2.gz	QOJWPAGWJUVIRS-WDEREUQCSA-N	-2	3	346.299	0.364	50	5		ECBAHL
Cc1[nH]c(=O)[n-]c(=O)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000003152691	435969934	/nfs/dbraw/zinc/96/99/34/435969934.db2.gz	CKBXSKNUGJBECF-UHFFFAOYSA-N	-2	3	326.290	0.081	50	5		ECBAHL
CC(C)OC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000101363270	219123758	/nfs/dbraw/zinc/12/37/58/219123758.db2.gz	QOJWPAGWJUVIRS-GHMZBOCLSA-N	-2	3	346.299	0.364	50	5		ECBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100753478	219106139	/nfs/dbraw/zinc/10/61/39/219106139.db2.gz	OWQOAHQMXWIAFZ-GHMZBOCLSA-N	-2	3	346.299	0.284	50	5		ECBAHL
CC(C)OC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000006256377	435996587	/nfs/dbraw/zinc/99/65/87/435996587.db2.gz	QOJWPAGWJUVIRS-MNOVXSKESA-N	-2	3	346.299	0.364	50	5		ECBAHL