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[C@H](OP(=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000113498094	685590843	/nfs/dbraw/zinc/59/08/43/685590843.db2.gz	SHBRLLSDZZCYOK-MOJAZDJTSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000113498094	685590840	/nfs/dbraw/zinc/59/08/40/685590840.db2.gz	SHBRLLSDZZCYOK-MOJAZDJTSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000113498094	685590838	/nfs/dbraw/zinc/59/08/38/685590838.db2.gz	SHBRLLSDZZCYOK-MOJAZDJTSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@H](O)[C@H](O)CO	ZINC000113498094	685590837	/nfs/dbraw/zinc/59/08/37/685590837.db2.gz	SHBRLLSDZZCYOK-MOJAZDJTSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@H](O)CO	ZINC000113498094	685590833	/nfs/dbraw/zinc/59/08/33/685590833.db2.gz	SHBRLLSDZZCYOK-MOJAZDJTSA-N	-3	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000113498096	685590808	/nfs/dbraw/zinc/59/08/08/685590808.db2.gz	SHBRLLSDZZCYOK-AZGQCCRYSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000113498096	685590806	/nfs/dbraw/zinc/59/08/06/685590806.db2.gz	SHBRLLSDZZCYOK-AZGQCCRYSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000113498096	685590805	/nfs/dbraw/zinc/59/08/05/685590805.db2.gz	SHBRLLSDZZCYOK-AZGQCCRYSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000113498096	685590802	/nfs/dbraw/zinc/59/08/02/685590802.db2.gz	SHBRLLSDZZCYOK-AZGQCCRYSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000113498096	685590798	/nfs/dbraw/zinc/59/07/98/685590798.db2.gz	SHBRLLSDZZCYOK-AZGQCCRYSA-N	-3	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000113498099	685591131	/nfs/dbraw/zinc/59/11/31/685591131.db2.gz	SHBRLLSDZZCYOK-VANKVMQKSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000113498099	685591128	/nfs/dbraw/zinc/59/11/28/685591128.db2.gz	SHBRLLSDZZCYOK-VANKVMQKSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000113498099	685591125	/nfs/dbraw/zinc/59/11/25/685591125.db2.gz	SHBRLLSDZZCYOK-VANKVMQKSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000113498099	685591121	/nfs/dbraw/zinc/59/11/21/685591121.db2.gz	SHBRLLSDZZCYOK-VANKVMQKSA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000113498099	685591118	/nfs/dbraw/zinc/59/11/18/685591118.db2.gz	SHBRLLSDZZCYOK-VANKVMQKSA-N	-3	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000113498101	685591020	/nfs/dbraw/zinc/59/10/20/685591020.db2.gz	SHBRLLSDZZCYOK-BXKVDMCESA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000113498101	685591015	/nfs/dbraw/zinc/59/10/15/685591015.db2.gz	SHBRLLSDZZCYOK-BXKVDMCESA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000113498101	685591012	/nfs/dbraw/zinc/59/10/12/685591012.db2.gz	SHBRLLSDZZCYOK-BXKVDMCESA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000113498101	685591008	/nfs/dbraw/zinc/59/10/08/685591008.db2.gz	SHBRLLSDZZCYOK-BXKVDMCESA-N	-2	1	340.114	-3.145	10	30		EAEEML
O=C[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000113498101	685591004	/nfs/dbraw/zinc/59/10/04/685591004.db2.gz	SHBRLLSDZZCYOK-BXKVDMCESA-N	-3	1	340.114	-3.145	10	30		EAEEML