smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@H](C)[NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095580753	185381090	/nfs/dbraw/zinc/38/10/90/185381090.db2.gz	SYGGSEFCGGPAOU-QMMMGPOBSA-N	-1	2	303.232	1.226	1	0		DDAFLM
CCCCC[C@H](C)[NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095580753	185381091	/nfs/dbraw/zinc/38/10/91/185381091.db2.gz	SYGGSEFCGGPAOU-QMMMGPOBSA-N	-1	2	303.232	1.226	1	0		DDAFLM
CCCCC[C@@H](C)[NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000095580752	185381048	/nfs/dbraw/zinc/38/10/48/185381048.db2.gz	SYGGSEFCGGPAOU-MRVPVSSYSA-N	-1	2	303.232	1.226	1	0		DDAFLM
CCCCC[C@@H](C)[NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000095580752	185381049	/nfs/dbraw/zinc/38/10/49/185381049.db2.gz	SYGGSEFCGGPAOU-MRVPVSSYSA-N	-1	2	303.232	1.226	1	0		DDAFLM
CC(C)Cc1sc(CO)nc1-c1ccc([P@@](=O)([O-])O)o1	ZINC000066103373	184389835	/nfs/dbraw/zinc/38/98/35/184389835.db2.gz	PUEYLSPZLFZQLY-UHFFFAOYSA-N	-1	2	317.303	1.897	1	0		DDAFLM
CC(C)Cc1sc(CO)nc1-c1ccc([P@](=O)([O-])O)o1	ZINC000066103373	184389837	/nfs/dbraw/zinc/38/98/37/184389837.db2.gz	PUEYLSPZLFZQLY-UHFFFAOYSA-N	-1	2	317.303	1.897	1	0		DDAFLM
Nc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(CC2CC2)s1	ZINC000066113405	184390547	/nfs/dbraw/zinc/39/05/47/184390547.db2.gz	POWXBKKGFQURRD-UHFFFAOYSA-N	-1	2	300.276	1.741	1	0		DDAFLM
Nc1nc(-c2ccc([P@](=O)([O-])O)o2)c(CC2CC2)s1	ZINC000066113405	184390548	/nfs/dbraw/zinc/39/05/48/184390548.db2.gz	POWXBKKGFQURRD-UHFFFAOYSA-N	-1	2	300.276	1.741	1	0		DDAFLM
C[C@H]1O[C@@H](CC(=O)[O-])Cc2cc3c(c(O)c21)C(=O)CC[C@@H]3O	ZINC000015217308	560229420	/nfs/dbraw/zinc/22/94/20/560229420.db2.gz	WGMNUJNCGZFZPD-ZOFUNIGCSA-N	-1	2	306.314	1.879	1	0	in-vitro	DDAFLM
O=C([O-])[C@](Cl)(Cc1c[nH+]c2ccccn12)[P@](=O)([O-])O	ZINC000072118243	191039329	/nfs/dbraw/zinc/03/93/29/191039329.db2.gz	PMNHLHHRLSBUCE-JTQLQIEISA-N	-1	2	304.626	1.074	1	0		DDAFLM
O=C([O-])[C@](Cl)(Cc1c[nH+]c2ccccn12)[P@@](=O)([O-])O	ZINC000072118243	191039330	/nfs/dbraw/zinc/03/93/30/191039330.db2.gz	PMNHLHHRLSBUCE-JTQLQIEISA-N	-1	2	304.626	1.074	1	0		DDAFLM
NS(=O)(=O)c1c(F)c(F)c(SCC(=O)[O-])c(F)c1F	ZINC000095590297	185382035	/nfs/dbraw/zinc/38/20/35/185382035.db2.gz	GIYUNGDCOATLAT-UHFFFAOYSA-N	-1	2	319.257	1.067	1	0		DDAFLM
O=C([O-])[C@@](Cl)(Cc1c[nH+]c2ccccn12)[P@](=O)([O-])O	ZINC000072118244	191038670	/nfs/dbraw/zinc/03/86/70/191038670.db2.gz	PMNHLHHRLSBUCE-SNVBAGLBSA-N	-1	2	304.626	1.074	1	0		DDAFLM
O=C([O-])[C@@](Cl)(Cc1c[nH+]c2ccccn12)[P@@](=O)([O-])O	ZINC000072118244	191038673	/nfs/dbraw/zinc/03/86/73/191038673.db2.gz	PMNHLHHRLSBUCE-SNVBAGLBSA-N	-1	2	304.626	1.074	1	0		DDAFLM
C[C@@H]1O[C@@H](CC(=O)[O-])Cc2cc3c(c(O)c21)C(=O)CC[C@@H]3O	ZINC000015217307	560229406	/nfs/dbraw/zinc/22/94/06/560229406.db2.gz	WGMNUJNCGZFZPD-NMLBEHRDSA-N	-1	2	306.314	1.879	1	0	in-vitro	DDAFLM