smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c([O-])ccc([N+](=O)[O-])c1[O-]	687727092	571890009	/nfs/dbraw/zinc/89/00/09/571890009.db2.gz	AAYMZHRTEDUGRW-UHFFFAOYSA-N	-2	3	170.124	0.588	10	5		ACBEHL
O=C([O-])c1cc(O)cc([N+](=O)[O-])c1[O-]	687727311	571897438	/nfs/dbraw/zinc/89/74/38/571897438.db2.gz	OATMCJQWWLCEOC-UHFFFAOYSA-N	-2	3	199.118	0.704	10	5		ACBEHL
O=C([O-])c1cc([O-])cc([N+](=O)[O-])c1O	687727311	571897440	/nfs/dbraw/zinc/89/74/40/571897440.db2.gz	OATMCJQWWLCEOC-UHFFFAOYSA-N	-2	3	199.118	0.704	10	5		ACBEHL
O=[N+]([O-])c1cc2occ([O-])c2cc1[O-]	714118949	572652909	/nfs/dbraw/zinc/65/29/09/572652909.db2.gz	FNMGKYJCHBHEFM-UHFFFAOYSA-N	-2	3	195.130	0.876	10	5		ACBEHL
O=C([O-])c1cc(=O)[n-]cc1[N+](=O)[O-]	82393492	169356291	/nfs/dbraw/zinc/35/62/91/169356291.db2.gz	HMMTXEZCFNJNQO-UHFFFAOYSA-N	-2	3	184.107	0.394	10	5		ACBEHL
O=C([O-])c1cc([N+](=O)[O-])cc(=O)[n-]1	95766008	169356408	/nfs/dbraw/zinc/35/64/08/169356408.db2.gz	VRVANRQXVCGROH-UHFFFAOYSA-N	-2	3	184.107	0.394	10	5		ACBEHL
O=C([O-])Cc1c[n-]c(=O)c([N+](=O)[O-])c1	238607002	344815312	/nfs/dbraw/zinc/81/53/12/344815312.db2.gz	FRMGQZPGLRPPNW-UHFFFAOYSA-N	-2	3	198.134	0.323	10	5		ACBEHL
Nc1c([O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	238585194	344814728	/nfs/dbraw/zinc/81/47/28/344814728.db2.gz	XXEDYFIXFBEBRN-UHFFFAOYSA-N	-2	3	198.134	0.581	10	5		ACBEHL
O=C([O-])c1ccc([N+](=O)[O-])c(=O)[n-]1	165893441	344271958	/nfs/dbraw/zinc/27/19/58/344271958.db2.gz	ANFXHMHIBRVKOF-UHFFFAOYSA-N	-2	3	184.107	0.394	10	5		ACBEHL
O=C([O-])Cc1cncc([N+](=O)[O-])c1[O-]	238607933	344815359	/nfs/dbraw/zinc/81/53/59/344815359.db2.gz	ZXVOIUHSLVSWPP-UHFFFAOYSA-N	-2	3	198.134	0.323	10	5		ACBEHL
O=c1[n-]ccc([S-])c1[N+](=O)[O-]	575471271	352286178	/nfs/dbraw/zinc/28/61/78/352286178.db2.gz	NYOOSZILXPSRLS-UHFFFAOYSA-N	-2	3	172.165	0.984	10	5		ACBEHL
N#C[N-]C(=O)c1ccc([N+](=O)[O-])[n-]1	575533586	352571773	/nfs/dbraw/zinc/57/17/73/352571773.db2.gz	UORCAEZSJSOWSG-UHFFFAOYSA-N	-2	3	180.123	0.134	10	5		ACBEHL
Nc1c([O-])cc([N+](=O)[O-])cc1C(=O)[O-]	575718629	352898935	/nfs/dbraw/zinc/89/89/35/352898935.db2.gz	HAZXJUVWXCCLTM-UHFFFAOYSA-N	-2	3	198.134	0.581	10	5		ACBEHL
Nc1c(C(=O)[O-])cc([O-])cc1[N+](=O)[O-]	575719207	352899911	/nfs/dbraw/zinc/89/99/11/352899911.db2.gz	PQTVAFORQRZXMA-UHFFFAOYSA-N	-2	3	198.134	0.581	10	5		ACBEHL
Nc1cc([O-])cc([N+](=O)[O-])c1C(=O)[O-]	575719574	352900847	/nfs/dbraw/zinc/90/08/47/352900847.db2.gz	XDIDVTBSWIVMEQ-UHFFFAOYSA-N	-2	3	198.134	0.581	10	5		ACBEHL
O=C([O-])c1cc[n-]c(=O)c1[N+](=O)[O-]	307136392	371773304	/nfs/dbraw/zinc/77/33/04/371773304.db2.gz	UMJIRQIVBMZOAC-UHFFFAOYSA-N	-2	3	184.107	0.394	10	5		ACBEHL