smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])c1ccc2cc(Oc3ccc4cc(S(=O)(=O)[O-])ccc4c3)ccc2c1	ZINC000003650019	555943965	/nfs/dbraw/zinc/94/39/65/555943965.db2.gz	RCLDHCIEAUJSBD-UHFFFAOYSA-N	-2	0	430.459	4.279	10	0	in-vitro	IIAERL
O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)C[P@](=O)([O-])CCCCc1ccccc1	ZINC000011679188	562979082	/nfs/dbraw/zinc/97/90/82/562979082.db2.gz	WOIWWYDXDVSWAZ-SFTDATJTSA-N	-2	0	435.501	4.162	10	0		IIAERL
O=S(=O)([O-])c1ccc2c(cccc2Cc2cccc3cc(S(=O)(=O)[O-])ccc32)c1	ZINC000034333458	527260736	/nfs/dbraw/zinc/26/07/36/527260736.db2.gz	XQFKOAKYKWUBKQ-UHFFFAOYSA-N	-2	0	428.487	4.077	10	0		IIAERL
O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)C[P@](=O)([O-])CCCCc1ccccc1	ZINC000011679174	560211416	/nfs/dbraw/zinc/21/14/16/560211416.db2.gz	WOIWWYDXDVSWAZ-NHCUHLMSSA-N	-2	0	435.501	4.162	10	0	in-vitro	IIAERL
CC[C@@H](c1ccc(OP(=O)([O-])[O-])cc1)[C@H](CC)c1ccc(OP(=O)([O-])[O-])cc1	ZINC000003650624	562937375	/nfs/dbraw/zinc/93/73/75/562937375.db2.gz	JBDIWCWZUDNWTL-HDICACEKSA-N	-4	0	430.330	4.317	10	0		IIAERL