smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000003995334	552425426	/nfs/dbraw/zinc/42/54/26/552425426.db2.gz	XNOBOKJVOTYSJV-KQYNXXCUSA-N	-3	1	553.276	-0.907	50	0	in-vitro	KBAAML
CSc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(N)n1	ZINC000003995334	552425423	/nfs/dbraw/zinc/42/54/23/552425423.db2.gz	XNOBOKJVOTYSJV-KQYNXXCUSA-N	-3	1	553.276	-0.907	50	0	in-vitro	KBAAML
CCOc1ccc(C[C@@H](C[N@@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000022448097	553742426	/nfs/dbraw/zinc/74/24/26/553742426.db2.gz	AQOXEJNYXXLRQQ-KRWDZBQOSA-N	-4	1	527.527	-0.675	50	0	fda	KBAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1F	ZINC000031414557	553861492	/nfs/dbraw/zinc/86/14/92/553861492.db2.gz	CCXCDDWASROAJA-QYYRPYCUSA-N	-3	1	509.173	-0.652	50	0		KBAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1F	ZINC000031414557	553861488	/nfs/dbraw/zinc/86/14/88/553861488.db2.gz	CCXCDDWASROAJA-QYYRPYCUSA-N	-3	1	509.173	-0.652	50	0		KBAAML
Nc1nc2c(ccn2[C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000037253609	554231296	/nfs/dbraw/zinc/23/12/96/554231296.db2.gz	DLLXAZJTLIUPAI-FXQIFTODSA-N	-3	1	506.194	-0.702	50	0		KBAAML
Nc1nc2c(ccn2[C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000037253609	554231294	/nfs/dbraw/zinc/23/12/94/554231294.db2.gz	DLLXAZJTLIUPAI-FXQIFTODSA-N	-3	1	506.194	-0.702	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049792552	554326217	/nfs/dbraw/zinc/32/62/17/554326217.db2.gz	VPAHIVDZXBLTTM-UUOKFMHZSA-N	-3	1	586.078	-0.867	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000049792552	554326215	/nfs/dbraw/zinc/32/62/15/554326215.db2.gz	VPAHIVDZXBLTTM-UUOKFMHZSA-N	-3	1	586.078	-0.867	50	0		KBAAML
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)cc1Br	ZINC000060291582	554505191	/nfs/dbraw/zinc/50/51/91/554505191.db2.gz	BLQCQNFLEGAHPA-ACZMJKKPSA-N	-3	1	547.037	-0.709	50	0		KBAAML
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)cc1Br	ZINC000060291582	554505187	/nfs/dbraw/zinc/50/51/87/554505187.db2.gz	BLQCQNFLEGAHPA-ACZMJKKPSA-N	-3	1	547.037	-0.709	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000078819310	553665706	/nfs/dbraw/zinc/66/57/06/553665706.db2.gz	VPAHIVDZXBLTTM-FJFJXFQQSA-N	-3	1	586.078	-0.867	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000078819310	553665703	/nfs/dbraw/zinc/66/57/03/553665703.db2.gz	VPAHIVDZXBLTTM-FJFJXFQQSA-N	-3	1	586.078	-0.867	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000078819317	553665829	/nfs/dbraw/zinc/66/58/29/553665829.db2.gz	VPAHIVDZXBLTTM-FTWQFJAYSA-N	-3	1	586.078	-0.867	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000078819317	553665827	/nfs/dbraw/zinc/66/58/27/553665827.db2.gz	VPAHIVDZXBLTTM-FTWQFJAYSA-N	-3	1	586.078	-0.867	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000078819326	553665736	/nfs/dbraw/zinc/66/57/36/553665736.db2.gz	VPAHIVDZXBLTTM-GFRUICAKSA-N	-3	1	586.078	-0.867	50	0		KBAAML
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000078819326	553665733	/nfs/dbraw/zinc/66/57/33/553665733.db2.gz	VPAHIVDZXBLTTM-GFRUICAKSA-N	-3	1	586.078	-0.867	50	0		KBAAML
CO[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O[C@H]1n1cnc2c1ncnc2N	ZINC000085544397	553683463	/nfs/dbraw/zinc/68/34/63/553683463.db2.gz	OARVGPYQJRLYFE-IOSLPCCCSA-N	-3	1	521.209	-0.975	50	0		KBAAML
CO[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O[C@H]1n1cnc2c1ncnc2N	ZINC000085544397	553683460	/nfs/dbraw/zinc/68/34/60/553683460.db2.gz	OARVGPYQJRLYFE-IOSLPCCCSA-N	-3	1	521.209	-0.975	50	0		KBAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000104847450	571386916	/nfs/dbraw/zinc/38/69/16/571386916.db2.gz	IOQIJUVWFDSKFZ-GIMIYPNGSA-N	-2	1	507.083	-0.860	50	0		KBAAML
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000104847450	571386914	/nfs/dbraw/zinc/38/69/14/571386914.db2.gz	IOQIJUVWFDSKFZ-GIMIYPNGSA-N	-2	1	507.083	-0.860	50	0		KBAAML
C[NH2+]CC=Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000328579125	572145929	/nfs/dbraw/zinc/14/59/29/572145929.db2.gz	SOIUXHILVVWPMD-VYEHJAMSSA-N	-2	1	537.248	-0.827	50	0		KBAAML
C[NH2+]CC=Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000328579125	572145926	/nfs/dbraw/zinc/14/59/26/572145926.db2.gz	SOIUXHILVVWPMD-VYEHJAMSSA-N	-2	1	537.248	-0.827	50	0		KBAAML