smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OCC[C@H]1c2c(cc3c(c2[O-])C(=O)c2c(O)cc([O-])cc2C3=O)O[C@@H]1O	ZINC000005161409	560201091	/nfs/dbraw/zinc/20/10/91/560201091.db2.gz	DYJNRRXQVSJBAA-LXGOIASLSA-N	-2	3	400.339	1.326	10	10	in-vitro	HDCEHL
CC(=O)OCC[C@@H](CO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005437922	560202030	/nfs/dbraw/zinc/20/20/30/560202030.db2.gz	BWYUKBCRHDFWFF-VIFPVBQESA-N	-2	3	402.355	1.314	10	10	in-vitro	HDCEHL
O=C1c2ccccc2C(=O)c2cc(NCC(P(=O)([O-])[O-])P(=O)([O-])[O-])ccc21	ZINC000020530826	558384372	/nfs/dbraw/zinc/38/43/72/558384372.db2.gz	IZCQLARLEXDDLA-UHFFFAOYSA-N	-4	3	411.243	1.555	10	10		HDCEHL
CC[C@@]1(O)CC(=O)c2c([O-])c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000004654749	560199029	/nfs/dbraw/zinc/19/90/29/560199029.db2.gz	MHAXMIHGEZOCTQ-HTAPYJJXSA-N	-2	3	410.378	1.857	10	10	in-vitro	HDCEHL
CC(=O)OCC[C@H](CO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000005437930	560202008	/nfs/dbraw/zinc/20/20/08/560202008.db2.gz	BWYUKBCRHDFWFF-SECBINFHSA-N	-2	3	402.355	1.314	10	10	in-vitro	HDCEHL