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-])CN(CCOCCOCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000003861663	204020650	/nfs/dbraw/zinc/02/06/50/204020650.db2.gz	DEFVIWRASFVYLL-UHFFFAOYSA-N	-3	1	380.350	-2.038	50	0	in-man	GAAAML
O=C([O-])C[NH+](CCN(CC[NH+](CC(=O)[O-])CC(=O)[O-])C(=O)[O-])CC(=O)[O-]	ZINC000005908834	570310502	/nfs/dbraw/zinc/31/05/02/570310502.db2.gz	XNQSZVXFWBSAIZ-UHFFFAOYSA-N	-3	1	379.322	-2.091	50	0		GAAAML
O=C([O-])CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])CC(=O)[O-]	ZINC000005908834	570310499	/nfs/dbraw/zinc/31/04/99/570310499.db2.gz	XNQSZVXFWBSAIZ-UHFFFAOYSA-N	-5	1	379.322	-2.091	50	0		GAAAML
O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000008215630	530072291	/nfs/dbraw/zinc/07/22/91/530072291.db2.gz	PQGCEDQWHSBAJP-TXICZTDVSA-N	-4	1	390.067	-2.231	50	0	endogenous,world	GAAAML
O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000008215630	530072290	/nfs/dbraw/zinc/07/22/90/530072290.db2.gz	PQGCEDQWHSBAJP-TXICZTDVSA-N	-4	1	390.067	-2.231	50	0	endogenous,world	GAAAML
O=P([O-])([O-])OC[C@H]1O[C@H](O[P@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000008215630	530072289	/nfs/dbraw/zinc/07/22/89/530072289.db2.gz	PQGCEDQWHSBAJP-TXICZTDVSA-N	-4	1	390.067	-2.231	50	0	endogenous,world	GAAAML
O=P([O-])([O-])OC[C@H]1O[C@H](O[P@@](=O)([O-])OP(=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000008215630	530072288	/nfs/dbraw/zinc/07/22/88/530072288.db2.gz	PQGCEDQWHSBAJP-TXICZTDVSA-N	-4	1	390.067	-2.231	50	0	endogenous,world	GAAAML
O=P([O-])([O-])OC[C@H]1O[C@H](O[P@](=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000008215630	530072287	/nfs/dbraw/zinc/07/22/87/530072287.db2.gz	PQGCEDQWHSBAJP-TXICZTDVSA-N	-5	1	390.067	-2.231	50	0	endogenous,world	GAAAML
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1	ZINC000008216241	204266342	/nfs/dbraw/zinc/26/63/42/204266342.db2.gz	FTDHDKPUHBLBTL-SHYZEUOFSA-N	-2	1	387.178	-1.057	50	0	endogenous,in-man	GAAAML
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000008216241	204266341	/nfs/dbraw/zinc/26/63/41/204266341.db2.gz	FTDHDKPUHBLBTL-SHYZEUOFSA-N	-2	1	387.178	-1.057	50	0	endogenous,in-man	GAAAML
Nc1ccn([C@@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1	ZINC000013435042	530072996	/nfs/dbraw/zinc/07/29/96/530072996.db2.gz	FTDHDKPUHBLBTL-HAFWLYHUSA-N	-2	1	387.178	-1.300	50	0		GAAAML
Nc1ccn([C@@H]2C[C@H](O)[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000013435042	530072994	/nfs/dbraw/zinc/07/29/94/530072994.db2.gz	FTDHDKPUHBLBTL-HAFWLYHUSA-N	-2	1	387.178	-1.300	50	0		GAAAML
Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1	ZINC000013435046	560216821	/nfs/dbraw/zinc/21/68/21/560216821.db2.gz	FTDHDKPUHBLBTL-CHKWXVPMSA-N	-2	1	387.178	-1.300	50	0	in-vitro	GAAAML
Nc1ccn([C@@H]2C[C@@H](O)[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000013435046	560216820	/nfs/dbraw/zinc/21/68/20/560216820.db2.gz	FTDHDKPUHBLBTL-CHKWXVPMSA-N	-2	1	387.178	-1.300	50	0	in-vitro	GAAAML
Nc1ccn([C@@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)n1	ZINC000014960508	207035872	/nfs/dbraw/zinc/03/58/72/207035872.db2.gz	FTDHDKPUHBLBTL-BBVRLYRLSA-N	-2	1	387.178	-1.300	50	0		GAAAML
Nc1ccn([C@@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000014960508	207035868	/nfs/dbraw/zinc/03/58/68/207035868.db2.gz	FTDHDKPUHBLBTL-BBVRLYRLSA-N	-2	1	387.178	-1.300	50	0		GAAAML