smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(c(=S)[nH]1)NCN2CCOCP(=O)([O-])[O-]	ZINC000042923185	183319179	/nfs/dbraw/zinc/31/91/79/183319179.db2.gz	FMFSJYMYNWKBLN-UHFFFAOYSA-N	-2	1	307.272	0.063	1	0		DCAFML
O=C([O-])/C(=C\CCCCOP(=O)([O-])[O-])C[P@@](=O)([O-])O	ZINC000072988191	191265685	/nfs/dbraw/zinc/26/56/85/191265685.db2.gz	JEBDXCNCPQTINO-DAXSKMNVSA-N	-4	1	318.155	0.455	1	0		DCAFML
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000100388467	574418314	/nfs/dbraw/zinc/41/83/14/574418314.db2.gz	VCSFIWQVMPSYEW-JTQLQIEISA-N	-2	1	319.317	0.914	1	0	endogenous,in-vitro	DCAFML
O=C([O-])/C(=C\[P@@](=O)([O-])O)CCCCCOP(=O)([O-])[O-]	ZINC000072988211	191265375	/nfs/dbraw/zinc/26/53/75/191265375.db2.gz	BIOCKRFTMXBNRS-SREVYHEPSA-N	-4	1	318.155	0.802	1	0		DCAFML
CC(C)CC[C@H](N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000013599906	181867066	/nfs/dbraw/zinc/86/70/66/181867066.db2.gz	AXVDQOXRBHQTCS-SRVKXCTJSA-N	-2	1	314.382	0.930	1	0		DCAFML
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)[O-])C(=O)[O-]	ZINC000100388463	574418312	/nfs/dbraw/zinc/41/83/12/574418312.db2.gz	VCSFIWQVMPSYEW-SNVBAGLBSA-N	-2	1	319.317	0.914	1	0	endogenous,in-vitro	DCAFML
C[C@H](Cn1cnc2c1nc(F)nc2N)OCP(=O)([O-])[O-]	ZINC000072178449	191070280	/nfs/dbraw/zinc/07/02/80/191070280.db2.gz	UPNIDJCZEOITGV-RXMQYKEDSA-N	-2	1	305.206	0.088	1	0		DCAFML
O=C([O-])/C(=C/CCCCOP(=O)([O-])[O-])C[P@@](=O)([O-])O	ZINC000072114719	191037787	/nfs/dbraw/zinc/03/77/87/191037787.db2.gz	JEBDXCNCPQTINO-QPJJXVBHSA-N	-4	1	318.155	0.455	1	0		DCAFML
Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](OCP(=O)([O-])[O-])C1	ZINC000003776212	181045421	/nfs/dbraw/zinc/04/54/21/181045421.db2.gz	XZODRISOVMXWBO-JGVFFNPUSA-N	-2	1	311.238	0.430	1	0		DCAFML
O=C([O-])[C@H]1CCCN1C[P@](=O)([O-])C[NH+]1CCC[C@@H]1C(=O)[O-]	ZINC000005848742	181289339	/nfs/dbraw/zinc/28/93/39/181289339.db2.gz	HLXLOCHSEWPILP-NXEZZACHSA-N	-2	1	320.282	0.270	1	0		DCAFML
O=C([O-])[C@H]1CCCN1CP(=O)([O-])C[N@@H+]1CCC[C@@H]1C(=O)[O-]	ZINC000005848742	181289341	/nfs/dbraw/zinc/28/93/41/181289341.db2.gz	HLXLOCHSEWPILP-NXEZZACHSA-N	-2	1	320.282	0.270	1	0		DCAFML
O=C([O-])[C@H]1CCCN1CP(=O)([O-])C[N@H+]1CCC[C@@H]1C(=O)[O-]	ZINC000005848742	181289342	/nfs/dbraw/zinc/28/93/42/181289342.db2.gz	HLXLOCHSEWPILP-NXEZZACHSA-N	-2	1	320.282	0.270	1	0		DCAFML
O=C([O-])[C@H]1CCCN1CP(=O)([O-])CN1CCC[C@@H]1C(=O)[O-]	ZINC000005848742	181289344	/nfs/dbraw/zinc/28/93/44/181289344.db2.gz	HLXLOCHSEWPILP-NXEZZACHSA-N	-3	1	320.282	0.270	1	0		DCAFML
O=C([O-])/C(=C/[P@@](=O)([O-])O)CCCCCOP(=O)([O-])[O-]	ZINC000072116874	191038788	/nfs/dbraw/zinc/03/87/88/191038788.db2.gz	BIOCKRFTMXBNRS-VOTSOKGWSA-N	-4	1	318.155	0.802	1	0		DCAFML