smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])[O-])C[C@@H]2O)c(=O)[nH]1	ZINC000003842743	210077921	/nfs/dbraw/zinc/07/79/21/210077921.db2.gz	HJZVJSUNSQOECX-JKUQZMGJSA-N	-2	1	331.225	-1.645	1	0		EAAFML
Nc1c(C(=O)[O-])[nH+]cn1[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003870154	560190770	/nfs/dbraw/zinc/19/07/70/560190770.db2.gz	XFVULMDJZXYMSG-FHTXDIHVSA-N	-2	1	339.197	-2.108	1	0	in-vitro,metabolite	EAAFML
Nc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003870155	560190722	/nfs/dbraw/zinc/19/07/22/560190722.db2.gz	XFVULMDJZXYMSG-CMFQWLGBSA-N	-2	1	339.197	-2.108	1	0	in-vitro,metabolite	EAAFML
Nc1c(C(=O)[O-])[nH+]cn1[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003870156	560190727	/nfs/dbraw/zinc/19/07/27/560190727.db2.gz	XFVULMDJZXYMSG-LCAOHGEVSA-N	-2	1	339.197	-2.108	1	0	in-vitro,metabolite	EAAFML
Nc1c(C(=O)[O-])[nH+]cn1[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003870157	560190755	/nfs/dbraw/zinc/19/07/55/560190755.db2.gz	XFVULMDJZXYMSG-IPFTVGSRSA-N	-2	1	339.197	-2.108	1	0	in-vitro,metabolite	EAAFML
CC(=O)N[C@@H]1[C@H](O)C[C@H](P(=O)([O-])[O-])O[C@@H]1[C@H](O)[C@H](O)CO	ZINC000003870394	210081615	/nfs/dbraw/zinc/08/16/15/210081615.db2.gz	QITAGYVZDNZULE-PXSBVEPCSA-N	-2	1	329.242	-3.141	1	0		EAAFML
Nc1nc2c(ncn2C[C@H]2O[C@@H](P(=O)([O-])[O-])C[C@@H]2O)c(N)n1	ZINC000003943274	210094667	/nfs/dbraw/zinc/09/46/67/210094667.db2.gz	WMKIVTALDPVUFZ-JKUQZMGJSA-N	-2	1	330.241	-1.356	1	0		EAAFML
C[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])OC[C@H](O)CN1CCOCC1	ZINC000004742309	210265542	/nfs/dbraw/zinc/26/55/42/210265542.db2.gz	PBTUUOMHVRSRTO-BDAKNGLRSA-N	-3	1	349.213	-1.275	1	0		EAAFML
C[C@](O)(P(=O)([O-])O)[P@](=O)([O-])OC[C@H](O)CN1CCOCC1	ZINC000004742309	210265535	/nfs/dbraw/zinc/26/55/35/210265535.db2.gz	PBTUUOMHVRSRTO-BDAKNGLRSA-N	-2	1	349.213	-1.275	1	0		EAAFML
C[C@](O)(P(=O)([O-])O)[P@@](=O)([O-])OC[C@H](O)CN1CCOCC1	ZINC000004742309	210265530	/nfs/dbraw/zinc/26/55/30/210265530.db2.gz	PBTUUOMHVRSRTO-BDAKNGLRSA-N	-2	1	349.213	-1.275	1	0		EAAFML
C[C@@](O)(P(=O)([O-])OC[C@H](O)CN1CCOCC1)[P@](=O)([O-])O	ZINC000004742309	210265525	/nfs/dbraw/zinc/26/55/25/210265525.db2.gz	PBTUUOMHVRSRTO-BDAKNGLRSA-N	-2	1	349.213	-1.275	1	0		EAAFML
C[C@](O)(P(=O)([O-])[O-])[P@](=O)([O-])OC[C@H](O)CN1CCOCC1	ZINC000004742309	210265547	/nfs/dbraw/zinc/26/55/47/210265547.db2.gz	PBTUUOMHVRSRTO-BDAKNGLRSA-N	-3	1	349.213	-1.275	1	0		EAAFML
CC(=O)N[C@@H]1[C@@H](O)C[C@@H](P(=O)([O-])[O-])O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000012504417	211394358	/nfs/dbraw/zinc/39/43/58/211394358.db2.gz	QITAGYVZDNZULE-HMELBQQSSA-N	-2	1	329.242	-3.141	1	0		EAAFML
CC(=O)N[C@@H]1[C@H](O)C[C@@H](P(=O)([O-])[O-])O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000012504419	211395446	/nfs/dbraw/zinc/39/54/46/211395446.db2.gz	QITAGYVZDNZULE-BWTWBLBVSA-N	-2	1	329.242	-3.141	1	0		EAAFML
Nc1ncnc2c1n[nH]c2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000013507321	560217636	/nfs/dbraw/zinc/21/76/36/560217636.db2.gz	PBAHXXBYQACZMA-ZQLUKILPSA-N	-2	1	347.224	-1.794	1	0	in-vitro	EAAFML
Nc1ncnc2c1n[nH]c2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000013507323	560217565	/nfs/dbraw/zinc/21/75/65/560217565.db2.gz	PBAHXXBYQACZMA-PQZFFIDOSA-N	-2	1	347.224	-1.794	1	0	in-vitro	EAAFML
CC(=O)N[C@H]1[C@H](O)C[C@@H](P(=O)([O-])[O-])O[C@@H]1[C@@H](O)[C@@H](O)CO	ZINC000021289769	212219769	/nfs/dbraw/zinc/21/97/69/212219769.db2.gz	QITAGYVZDNZULE-WJYNVNEKSA-N	-2	1	329.242	-3.141	1	0		EAAFML
Nc1ncnc2c1ncn2[C@H]1O[C@@H]([C@@H](O)P(=O)([O-])[O-])[C@@H]1CO	ZINC000026143820	202139195	/nfs/dbraw/zinc/13/91/95/202139195.db2.gz	RFGNCYZHZSYMIC-HQHIISTBSA-N	-2	1	331.225	-1.590	1	0		EAAFML
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](OCP(=O)([O-])[O-])C2)c(=O)[nH]1	ZINC000027767912	202160070	/nfs/dbraw/zinc/16/00/70/202160070.db2.gz	BCLMGFJGYYTZMW-QYNIQEEDSA-N	-2	1	345.252	-1.082	1	0		EAAFML
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](OCP(=O)([O-])[O-])C2)c(=O)[nH]1	ZINC000027767918	202160040	/nfs/dbraw/zinc/16/00/40/202160040.db2.gz	BCLMGFJGYYTZMW-XVMARJQXSA-N	-2	1	345.252	-1.082	1	0		EAAFML
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](P(=O)([O-])[O-])O[C@@H]2CO)c(=O)[nH]1	ZINC000028762788	202177191	/nfs/dbraw/zinc/17/71/91/202177191.db2.gz	UIBLKTYKIBXPIF-FSDSQADBSA-N	-2	1	343.236	-1.306	1	0		EAAFML
Nc1nc2c(ncn2[C@H]2C=C[C@@H](P(=O)([O-])[O-])O[C@@H]2CO)c(=O)[nH]1	ZINC000028762789	202176357	/nfs/dbraw/zinc/17/63/57/202176357.db2.gz	UIBLKTYKIBXPIF-RRKCRQDMSA-N	-2	1	343.236	-1.306	1	0		EAAFML
C[C@@](O)(P(=O)([O-])[O-])[P@](=O)([O-])OC[C@@H](O)CN1CCOCC1	ZINC000031898475	202212014	/nfs/dbraw/zinc/21/20/14/202212014.db2.gz	PBTUUOMHVRSRTO-DTWKUNHWSA-N	-3	1	349.213	-1.275	1	0		EAAFML
C[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])OC[C@@H](O)CN1CCOCC1	ZINC000031898475	202212012	/nfs/dbraw/zinc/21/20/12/202212012.db2.gz	PBTUUOMHVRSRTO-DTWKUNHWSA-N	-3	1	349.213	-1.275	1	0		EAAFML
C[C@@](O)(P(=O)([O-])O)[P@](=O)([O-])OC[C@@H](O)CN1CCOCC1	ZINC000031898475	202212009	/nfs/dbraw/zinc/21/20/09/202212009.db2.gz	PBTUUOMHVRSRTO-DTWKUNHWSA-N	-2	1	349.213	-1.275	1	0		EAAFML
C[C@@](O)(P(=O)([O-])O)[P@@](=O)([O-])OC[C@@H](O)CN1CCOCC1	ZINC000031898475	202212008	/nfs/dbraw/zinc/21/20/08/202212008.db2.gz	PBTUUOMHVRSRTO-DTWKUNHWSA-N	-2	1	349.213	-1.275	1	0		EAAFML
C[C@](O)(P(=O)([O-])OC[C@@H](O)CN1CCOCC1)[P@](=O)([O-])O	ZINC000031898475	202212005	/nfs/dbraw/zinc/21/20/05/202212005.db2.gz	PBTUUOMHVRSRTO-DTWKUNHWSA-N	-2	1	349.213	-1.275	1	0		EAAFML
C[P@](=O)([O-])N[C@H]1[C@H](O)O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000035816966	213050545	/nfs/dbraw/zinc/05/05/45/213050545.db2.gz	YCTZDNRMKSWCHF-NYMZXIIRSA-N	-3	1	337.158	-2.692	1	0		EAAFML