smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccnc2ccc3ccccc3c21	ZINC000001628234	182586362	/nfs/dbraw/zinc/58/63/62/182586362.db2.gz	CYCSFILBMUSSRK-UHFFFAOYSA-N	-1	0	223.231	3.086	40	5		BGBBRM
O=[P@@H]([O-])c1cc2ccccc2c2ccccc21	ZINC000006576388	342779586	/nfs/dbraw/zinc/77/95/86/342779586.db2.gz	QYXLEOICNCANHI-UHFFFAOYSA-N	-1	0	242.214	3.085	40	5		BGBBRM
CC(C)(C)c1ccc([S-])c([N+](=O)[O-])c1	ZINC000026893580	188464240	/nfs/dbraw/zinc/46/42/40/188464240.db2.gz	RWVZPROTBDMZLY-UHFFFAOYSA-N	-1	0	211.286	3.181	40	5		BGBBRM
O=C([O-])c1cccc2cc3ccccc3nc21	ZINC000038293725	343373791	/nfs/dbraw/zinc/37/37/91/343373791.db2.gz	NBIUCDPMOWCGIG-UHFFFAOYSA-N	-1	0	223.231	3.086	40	5		BGBBRM
O=[N+]([O-])c1cc(Cl)c([O-])c2ccccc21	ZINC000098175195	384501074	/nfs/dbraw/zinc/50/10/74/384501074.db2.gz	HSXOURGKOMRHEQ-UHFFFAOYSA-N	-1	0	223.615	3.107	40	5		BGBBRM
CCc1c([O-])c2ccc3ccccc3c2oc1=O	ZINC000104037830	384793107	/nfs/dbraw/zinc/79/31/07/384793107.db2.gz	AFKBVBNVXUJJCN-UHFFFAOYSA-N	-1	0	240.258	3.214	40	5		BGBBRM
O=[N+]([O-])c1ccc([O-])c2c(Cl)csc21	ZINC000228936664	527371033	/nfs/dbraw/zinc/37/10/33/527371033.db2.gz	XMUVJTVEQLFSEO-UHFFFAOYSA-N	-1	0	229.644	3.169	40	5		BGBBRM
O=[N+]([O-])c1ccc2scc(Cl)c2c1[O-]	ZINC000228938131	527381289	/nfs/dbraw/zinc/38/12/89/527381289.db2.gz	AJCDRBGGWIZJLL-UHFFFAOYSA-N	-1	0	229.644	3.169	40	5		BGBBRM