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-])c1ccccc1N[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004096377	201360583	/nfs/dbraw/zinc/36/05/83/201360583.db2.gz	PMFMJXPRNJUYMB-GWOFURMSSA-N	-2	2	349.232	-0.647	10	0	in-vitro,metabolite	EBAELL
O=C([O-])c1ccccc1N[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004096377	201360585	/nfs/dbraw/zinc/36/05/85/201360585.db2.gz	PMFMJXPRNJUYMB-GWOFURMSSA-N	-2	2	349.232	-0.647	10	0	in-vitro,metabolite	EBAELL
O=P([O-])(O)C(NS(=O)(=O)c1ccccc1)[P@](=O)([O-])O	ZINC000135707218	377043986	/nfs/dbraw/zinc/04/39/86/377043986.db2.gz	HVGLTRLVWUDEJR-UHFFFAOYSA-N	-2	2	331.179	-0.396	10	0		EBAELL
O=P([O-])(O)C(NS(=O)(=O)c1ccccc1)[P@@](=O)([O-])O	ZINC000135707218	377044007	/nfs/dbraw/zinc/04/40/07/377044007.db2.gz	HVGLTRLVWUDEJR-UHFFFAOYSA-N	-2	2	331.179	-0.396	10	0		EBAELL
Cc1ccc(S(=O)(=O)NC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1	ZINC000149987190	377150854	/nfs/dbraw/zinc/15/08/54/377150854.db2.gz	ZHULBIHONRXGPO-UHFFFAOYSA-N	-4	2	345.206	-0.088	10	0		EBAELL
Cc1ccc(S(=O)(=O)NC(P(=O)([O-])O)[P@](=O)([O-])O)cc1	ZINC000149987190	377150868	/nfs/dbraw/zinc/15/08/68/377150868.db2.gz	ZHULBIHONRXGPO-UHFFFAOYSA-N	-2	2	345.206	-0.088	10	0		EBAELL
O=C(NCCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O)C(F)(F)F	ZINC000022067272	212275116	/nfs/dbraw/zinc/27/51/16/212275116.db2.gz	GDRCTQDHXBOUOA-UHFFFAOYSA-N	-2	2	345.103	-0.553	10	0	in-vitro	EBAELL
O=C(NCCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)C(F)(F)F	ZINC000022067272	212275112	/nfs/dbraw/zinc/27/51/12/212275112.db2.gz	GDRCTQDHXBOUOA-UHFFFAOYSA-N	-2	2	345.103	-0.553	10	0	in-vitro	EBAELL
O=P([O-])(O)OP(=O)([O-])OP(=O)([O-])O[P@](=O)([O-])O	ZINC000256012799	244064888	/nfs/dbraw/zinc/06/48/88/244064888.db2.gz	YDHWWBZFRZWVHO-UHFFFAOYSA-N	-4	2	337.931	-0.578	10	0		EBAELL
O=P([O-])(O)OP(=O)([O-])OP(=O)([O-])O[P@@](=O)([O-])O	ZINC000256012799	244064891	/nfs/dbraw/zinc/06/48/91/244064891.db2.gz	YDHWWBZFRZWVHO-UHFFFAOYSA-N	-4	2	337.931	-0.578	10	0		EBAELL
O=P([O-])(O)OP(=O)([O-])O[P@](=O)([O-])OP(=O)([O-])O	ZINC000256012799	244064899	/nfs/dbraw/zinc/06/48/99/244064899.db2.gz	YDHWWBZFRZWVHO-UHFFFAOYSA-N	-4	2	337.931	-0.578	10	0		EBAELL
O=P([O-])(O)OP(=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])O	ZINC000256012799	244064900	/nfs/dbraw/zinc/06/49/00/244064900.db2.gz	YDHWWBZFRZWVHO-UHFFFAOYSA-N	-4	2	337.931	-0.578	10	0		EBAELL