smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])n[n-]1	ZINC000014116677	361449027	/nfs/dbraw/zinc/44/90/27/361449027.db2.gz	MVEYDAUYDXRQKP-UHFFFAOYSA-N	-2	3	294.292	2.125	40	5		CEBBHL
COc1c([O-])ccc2c([O-])c3c(=O)cccc-3oc21	ZINC000014822012	394464780	/nfs/dbraw/zinc/46/47/80/394464780.db2.gz	VTZRTHPAURPVRE-UHFFFAOYSA-N	-2	3	258.229	2.366	40	5	biogenic,in-vitro	CEBBHL
O=c1nc(C=Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000003997930	361295462	/nfs/dbraw/zinc/29/54/62/361295462.db2.gz	NNYBAUSTLGTEJW-AATRIKPKSA-N	-2	3	298.258	2.448	40	5		CEBBHL
COc1cc([O-])cc2oc3cc([O-])ccc3c(=O)c12	ZINC000072319922	176368519	/nfs/dbraw/zinc/36/85/19/176368519.db2.gz	VLJAMZIVBOJAKI-UHFFFAOYSA-N	-2	3	258.229	2.366	40	5	biogenic,in-vitro	CEBBHL
COc1cc(=O)c2c([O-])c3c([O-])c(OC)ccc3oc-2c1	ZINC000006018929	277386006	/nfs/dbraw/zinc/38/60/06/277386006.db2.gz	PUECEVJMPDNNHT-UHFFFAOYSA-N	-2	3	288.255	2.375	40	5	biogenic,in-vitro	CEBBHL
COc1cc([O-])c2c([O-])c3c(=O)c(OC)ccc-3oc2c1	ZINC000006018929	277386008	/nfs/dbraw/zinc/38/60/08/277386008.db2.gz	PUECEVJMPDNNHT-UHFFFAOYSA-N	-2	3	288.255	2.375	40	5	biogenic,in-vitro	CEBBHL