smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003871273	555949824	/nfs/dbraw/zinc/94/98/24/555949824.db2.gz	SJLDUTNIPDQOCZ-VCAJRUBLSA-N	-1	2	442.119	-1.807	50	0		IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003871273	555949822	/nfs/dbraw/zinc/94/98/22/555949822.db2.gz	SJLDUTNIPDQOCZ-VCAJRUBLSA-N	-1	2	442.119	-1.807	50	0		IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003871275	555949887	/nfs/dbraw/zinc/94/98/87/555949887.db2.gz	SJLDUTNIPDQOCZ-AJFJRRQVSA-N	-1	2	442.119	-1.807	50	0		IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003871275	555949883	/nfs/dbraw/zinc/94/98/83/555949883.db2.gz	SJLDUTNIPDQOCZ-AJFJRRQVSA-N	-1	2	442.119	-1.807	50	0		IAAALM
Cn1c([O-])c(C(c2nc3ccccc3[nH]2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	ZINC000009354965	569525172	/nfs/dbraw/zinc/52/51/72/569525172.db2.gz	PACPFIUHSUMMIX-UHFFFAOYSA-N	-1	2	440.416	-1.051	50	0		IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000012503482	527575057	/nfs/dbraw/zinc/57/50/57/527575057.db2.gz	DNPIJKNXFSPNNY-FJFJXFQQSA-N	-1	2	426.120	-1.101	50	0		IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000012503482	527575053	/nfs/dbraw/zinc/57/50/53/527575053.db2.gz	DNPIJKNXFSPNNY-FJFJXFQQSA-N	-1	2	426.120	-1.101	50	0		IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013527361	562991814	/nfs/dbraw/zinc/99/18/14/562991814.db2.gz	DNPIJKNXFSPNNY-UUOKFMHZSA-N	-1	2	426.120	-1.101	50	0	in-vivo	IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013527361	562991813	/nfs/dbraw/zinc/99/18/13/562991813.db2.gz	DNPIJKNXFSPNNY-UUOKFMHZSA-N	-1	2	426.120	-1.101	50	0	in-vivo	IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000013543247	560219421	/nfs/dbraw/zinc/21/94/21/560219421.db2.gz	SJLDUTNIPDQOCZ-UMMCILCDSA-N	-1	2	442.119	-1.807	50	0	in-vitro	IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000013543247	560219420	/nfs/dbraw/zinc/21/94/20/560219420.db2.gz	SJLDUTNIPDQOCZ-UMMCILCDSA-N	-1	2	442.119	-1.807	50	0	in-vitro	IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000144842174	569258961	/nfs/dbraw/zinc/25/89/61/569258961.db2.gz	DNPIJKNXFSPNNY-GFRUICAKSA-N	-1	2	426.120	-1.101	50	0		IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000144842174	569258959	/nfs/dbraw/zinc/25/89/59/569258959.db2.gz	DNPIJKNXFSPNNY-GFRUICAKSA-N	-1	2	426.120	-1.101	50	0		IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000144842403	569258942	/nfs/dbraw/zinc/25/89/42/569258942.db2.gz	DNPIJKNXFSPNNY-FTWQFJAYSA-N	-1	2	426.120	-1.101	50	0		IAAALM
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000144842403	569258940	/nfs/dbraw/zinc/25/89/40/569258940.db2.gz	DNPIJKNXFSPNNY-FTWQFJAYSA-N	-1	2	426.120	-1.101	50	0		IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000224576646	557626363	/nfs/dbraw/zinc/62/63/63/557626363.db2.gz	SJLDUTNIPDQOCZ-SAFLGMAISA-N	-1	2	442.119	-1.807	50	0		IAAALM
Nc1nc2c(nc(Br)n2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000224576646	557626360	/nfs/dbraw/zinc/62/63/60/557626360.db2.gz	SJLDUTNIPDQOCZ-SAFLGMAISA-N	-1	2	442.119	-1.807	50	0		IAAALM