smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000002558195	374750966	/nfs/dbraw/zinc/75/09/66/374750966.db2.gz	XALREVCCJXUVAL-DEGSGYPDSA-N	-3	3	348.208	-2.152	40	0		EAABHL
O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000003875881	210082164	/nfs/dbraw/zinc/08/21/64/210082164.db2.gz	HFEKDTCAMMOLQP-RRKCRQDMSA-N	-3	3	326.173	-1.567	40	0	world	EAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC000004095503	374239124	/nfs/dbraw/zinc/23/91/24/374239124.db2.gz	DMJWGQPYNRPLGA-KQYNXXCUSA-N	-2	3	330.193	-1.106	40	0	in-vitro,metabolite	EAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000004353761	374241242	/nfs/dbraw/zinc/24/12/42/374241242.db2.gz	GRSZFWQUAKGDAV-PERBPWGJSA-N	-3	3	348.208	-2.152	40	0		EAABHL
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2ncccn2)[n-]c1=O	ZINC000006073698	374393687	/nfs/dbraw/zinc/39/36/87/374393687.db2.gz	WRCIEXWYTKBPSE-UHFFFAOYSA-N	-2	3	336.333	-1.335	40	0		EAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000008613164	375184161	/nfs/dbraw/zinc/18/41/61/375184161.db2.gz	GRSZFWQUAKGDAV-GAWUUDPSSA-N	-3	3	348.208	-1.740	40	0		EAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000008614392	374420015	/nfs/dbraw/zinc/42/00/15/374420015.db2.gz	GRSZFWQUAKGDAV-HGOUYRHRSA-N	-3	3	348.208	-2.152	40	0		EAABHL
O=S(=O)([O-])[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)[O-]	ZINC000013537156	374256407	/nfs/dbraw/zinc/25/64/07/374256407.db2.gz	AJBMJMMLWNUEAC-QZABAPFNSA-N	-3	3	339.300	-3.994	40	0		EAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000013549616	374256184	/nfs/dbraw/zinc/25/61/84/374256184.db2.gz	XALREVCCJXUVAL-KQYNXXCUSA-N	-3	3	348.208	-1.740	40	0	in-vitro	EAABHL
O=c1[n-]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000014951284	374541742	/nfs/dbraw/zinc/54/17/42/374541742.db2.gz	GRSZFWQUAKGDAV-FCIPNVEPSA-N	-3	3	348.208	-2.152	40	0	in-vivo	EAABHL
O=C([O-])CN(CCOCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000022052182	212274316	/nfs/dbraw/zinc/27/43/16/212274316.db2.gz	SLVOVFVZZFUEAS-UHFFFAOYSA-N	-4	3	336.297	-2.055	40	0	in-vitro	EAABHL
NS(=O)(=O)c1ccc(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)cc1	ZINC000104040879	219341354	/nfs/dbraw/zinc/34/13/54/219341354.db2.gz	BHICWQFHRMFGGB-OPRDCNLKSA-N	-2	3	348.333	-3.083	40	0		EAABHL
NS(=O)(=O)c1ccc(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)cc1	ZINC000104040884	219341038	/nfs/dbraw/zinc/34/10/38/219341038.db2.gz	BHICWQFHRMFGGB-BBBLOLIVSA-N	-2	3	348.333	-3.083	40	0		EAABHL
NS(=O)(=O)c1ccc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)cc1	ZINC000104040886	219341801	/nfs/dbraw/zinc/34/18/01/219341801.db2.gz	BHICWQFHRMFGGB-KXUCPTDWSA-N	-2	3	348.333	-3.083	40	0		EAABHL
NS(=O)(=O)c1ccc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)cc1	ZINC000104040889	219340810	/nfs/dbraw/zinc/34/08/10/219340810.db2.gz	BHICWQFHRMFGGB-UTLUCORTSA-N	-2	3	348.333	-3.083	40	0		EAABHL
O=C([O-])COCC(=O)N1C[C@@H](O)[C@H](n2cc(F)c(=O)[n-]c2=O)C1	ZINC000257258944	244290452	/nfs/dbraw/zinc/29/04/52/244290452.db2.gz	KWERZWZPJVXLMO-HTQZYQBOSA-N	-2	3	331.256	-2.067	40	0		EAABHL
O=c1[n-]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000584578831	374823406	/nfs/dbraw/zinc/82/34/06/374823406.db2.gz	XALREVCCJXUVAL-HUEBKHCJSA-N	-3	3	348.208	-1.740	40	0		EAABHL