smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)OC[C@H]1O[C@]2(CO[P@@](=O)([O-])O2)[C@@H](O)[C@@H]1O	ZINC000238791249	373128924	/nfs/dbraw/zinc/12/89/24/373128924.db2.gz	OYLOOUQOYVXAHA-ZXXMMSQZSA-N	-2	2	322.099	-1.940	10	0		DAAELL
O=P([O-])(O)OC[C@H]1O[C@]2(CO[P@](=O)([O-])O2)[C@@H](O)[C@@H]1O	ZINC000238791249	373128928	/nfs/dbraw/zinc/12/89/28/373128928.db2.gz	OYLOOUQOYVXAHA-ZXXMMSQZSA-N	-2	2	322.099	-1.940	10	0		DAAELL
O=[P@]([O-])(O)OC[C@H]1O[C@]2(COP(=O)([O-])O2)[C@@H](O)[C@@H]1O	ZINC000238791249	373128931	/nfs/dbraw/zinc/12/89/31/373128931.db2.gz	OYLOOUQOYVXAHA-ZXXMMSQZSA-N	-2	2	322.099	-1.940	10	0		DAAELL
O=[P@@]([O-])(O)OC[C@H]1O[C@]2(COP(=O)([O-])O2)[C@@H](O)[C@@H]1O	ZINC000238791249	373128935	/nfs/dbraw/zinc/12/89/35/373128935.db2.gz	OYLOOUQOYVXAHA-ZXXMMSQZSA-N	-2	2	322.099	-1.940	10	0		DAAELL
O=C([O-])C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003870009	560190589	/nfs/dbraw/zinc/19/05/89/560190589.db2.gz	RTNBXJBOAIDPME-SHUUEZRQSA-N	-2	2	318.171	-3.417	10	0	in-vitro	DAAELL
O=C([O-])C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000003870009	560190591	/nfs/dbraw/zinc/19/05/91/560190591.db2.gz	RTNBXJBOAIDPME-SHUUEZRQSA-N	-2	2	318.171	-3.417	10	0	in-vitro	DAAELL
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000022062818	373052829	/nfs/dbraw/zinc/05/28/29/373052829.db2.gz	CCWGGDIDQPGNLT-VUBPFVNUSA-N	-2	2	302.172	-1.966	10	0		DAAELL
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000022062818	373052839	/nfs/dbraw/zinc/05/28/39/373052839.db2.gz	CCWGGDIDQPGNLT-VUBPFVNUSA-N	-2	2	302.172	-1.966	10	0		DAAELL
O=C1CN(C[P@](=O)([O-])O)C(=O)CN1CP(=O)([O-])O	ZINC000039414747	373315257	/nfs/dbraw/zinc/31/52/57/373315257.db2.gz	ROKAXOISGALEAP-UHFFFAOYSA-N	-2	2	302.116	-2.072	10	0		DAAELL
O=C1CN(C[P@@](=O)([O-])O)C(=O)CN1CP(=O)([O-])O	ZINC000039414747	373315283	/nfs/dbraw/zinc/31/52/83/373315283.db2.gz	ROKAXOISGALEAP-UHFFFAOYSA-N	-2	2	302.116	-2.072	10	0		DAAELL
CC(N(CC(=O)[O-])CC(=O)[O-])(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000031361561	372788886	/nfs/dbraw/zinc/78/88/86/372788886.db2.gz	PJXKZTFOBRSZOY-UHFFFAOYSA-N	-4	2	321.115	-1.513	10	0		DAAELL
CC(N(CC(=O)[O-])CC(=O)[O-])(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000031361561	372788894	/nfs/dbraw/zinc/78/88/94/372788894.db2.gz	PJXKZTFOBRSZOY-UHFFFAOYSA-N	-4	2	321.115	-1.513	10	0		DAAELL
CO[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000022062815	373671718	/nfs/dbraw/zinc/67/17/18/373671718.db2.gz	CCWGGDIDQPGNLT-FZGKIIIMSA-N	-2	2	302.172	-1.966	10	0		DAAELL
CO[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000022062815	373671723	/nfs/dbraw/zinc/67/17/23/373671723.db2.gz	CCWGGDIDQPGNLT-FZGKIIIMSA-N	-2	2	302.172	-1.966	10	0		DAAELL
O=C([O-])C[C@@H]([NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-]	ZINC000020157018	182193261	/nfs/dbraw/zinc/19/32/61/182193261.db2.gz	RYLQNRBSOQNELL-GSVOUGTGSA-N	-3	2	321.115	-1.815	10	0		DAAELL
O=C([O-])C[C@@H]([NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-]	ZINC000020157018	182193262	/nfs/dbraw/zinc/19/32/62/182193262.db2.gz	RYLQNRBSOQNELL-GSVOUGTGSA-N	-3	2	321.115	-1.815	10	0		DAAELL
CO[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000022062810	373669929	/nfs/dbraw/zinc/66/99/29/373669929.db2.gz	CCWGGDIDQPGNLT-MNCSTQPFSA-N	-2	2	302.172	-1.966	10	0	in-vitro	DAAELL
CO[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000022062810	373669938	/nfs/dbraw/zinc/66/99/38/373669938.db2.gz	CCWGGDIDQPGNLT-MNCSTQPFSA-N	-2	2	302.172	-1.966	10	0	in-vitro	DAAELL
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000022062812	373671647	/nfs/dbraw/zinc/67/16/47/373671647.db2.gz	CCWGGDIDQPGNLT-SKHQTKALSA-N	-2	2	302.172	-1.966	10	0		DAAELL
CO[C@]1(C(=O)[O-])C[C@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000022062812	373671657	/nfs/dbraw/zinc/67/16/57/373671657.db2.gz	CCWGGDIDQPGNLT-SKHQTKALSA-N	-2	2	302.172	-1.966	10	0		DAAELL
[NH3+][C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nn[nH]n3)CS[C@@H]12	ZINC000059599917	373695100	/nfs/dbraw/zinc/69/51/00/373695100.db2.gz	LRGZZONZUPMKGF-FBCQKBJTSA-N	-2	2	314.352	-1.127	10	0		DAAELL
O=C([O-])C[C@H]([NH2+]CC(P(=O)([O-])O)[P@](=O)([O-])O)C(=O)[O-]	ZINC000020157021	182192930	/nfs/dbraw/zinc/19/29/30/182192930.db2.gz	RYLQNRBSOQNELL-VKHMYHEASA-N	-3	2	321.115	-1.815	10	0		DAAELL
O=C([O-])C[C@H]([NH2+]CC(P(=O)([O-])O)[P@@](=O)([O-])O)C(=O)[O-]	ZINC000020157021	182192934	/nfs/dbraw/zinc/19/29/34/182192934.db2.gz	RYLQNRBSOQNELL-VKHMYHEASA-N	-3	2	321.115	-1.815	10	0		DAAELL