smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	ZINC000004290862	181093432	/nfs/dbraw/zinc/09/34/32/181093432.db2.gz	MBZHDXGNLIUEPZ-OAHLLOKOSA-N	0	0	323.732	3.347	30	5		DGBCRN
O=[N+]([O-])c1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2	ZINC000004290852	280361403	/nfs/dbraw/zinc/36/14/03/280361403.db2.gz	APVNVQKFSASESK-HNNXBMFYSA-N	0	0	321.716	3.101	30	5		DGBCRN
O=[N+]([O-])c1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2	ZINC000004290853	285098463	/nfs/dbraw/zinc/09/84/63/285098463.db2.gz	APVNVQKFSASESK-OAHLLOKOSA-N	0	0	321.716	3.101	30	5		DGBCRN
COc1cc([C@@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC	ZINC000004290856	181093437	/nfs/dbraw/zinc/09/34/37/181093437.db2.gz	INLCGVOQXMWQDM-INIZCTEOSA-N	0	0	303.314	3.002	30	5		DGBCRN
COc1cc([C@H](O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC	ZINC000004290857	181093678	/nfs/dbraw/zinc/09/36/78/181093678.db2.gz	INLCGVOQXMWQDM-MRXNPFEDSA-N	0	0	303.314	3.002	30	5		DGBCRN
COc1cc([C@@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	ZINC000004290863	181093595	/nfs/dbraw/zinc/09/35/95/181093595.db2.gz	MBZHDXGNLIUEPZ-HNNXBMFYSA-N	0	0	323.732	3.347	30	5		DGBCRN