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[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004261903	555980102	/nfs/dbraw/zinc/98/01/02/555980102.db2.gz	JPXZQMKKFWMMGK-KQYNXXCUSA-N	-2	1	428.187	-2.035	50	0	endogenous,in-man	IAAAML
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004261903	555980101	/nfs/dbraw/zinc/98/01/01/555980101.db2.gz	JPXZQMKKFWMMGK-KQYNXXCUSA-N	-2	1	428.187	-2.035	50	0	endogenous,in-man	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000004806433	557545405	/nfs/dbraw/zinc/54/54/05/557545405.db2.gz	XTWYTFMLZFPYCI-GAWUUDPSSA-N	-2	1	427.203	-1.746	50	0	biogenic,in-vitro	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000004806433	557545402	/nfs/dbraw/zinc/54/54/02/557545402.db2.gz	XTWYTFMLZFPYCI-GAWUUDPSSA-N	-2	1	427.203	-1.746	50	0	biogenic,in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008215481	556152836	/nfs/dbraw/zinc/15/28/36/556152836.db2.gz	QGWNDRXFNXRZMB-UUOKFMHZSA-N	-2	1	443.202	-2.453	50	0	endogenous,in-man	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000008215481	556152833	/nfs/dbraw/zinc/15/28/33/556152833.db2.gz	QGWNDRXFNXRZMB-UUOKFMHZSA-N	-2	1	443.202	-2.453	50	0	endogenous,in-man	IAAAML
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000008215878	556152885	/nfs/dbraw/zinc/15/28/85/556152885.db2.gz	CIKGWCTVFSRMJU-KVQBGUIXSA-N	-2	1	427.203	-1.424	50	0	endogenous,in-man	IAAAML
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000008215878	556152882	/nfs/dbraw/zinc/15/28/82/556152882.db2.gz	CIKGWCTVFSRMJU-KVQBGUIXSA-N	-2	1	427.203	-1.424	50	0	endogenous,in-man	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000012360002	527575991	/nfs/dbraw/zinc/57/59/91/527575991.db2.gz	XTWYTFMLZFPYCI-XJCFNFQFSA-N	-2	1	427.203	-1.746	50	0	biogenic,in-vitro	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000012360002	527575988	/nfs/dbraw/zinc/57/59/88/527575988.db2.gz	XTWYTFMLZFPYCI-XJCFNFQFSA-N	-2	1	427.203	-1.746	50	0	biogenic,in-vitro	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000012360703	491163056	/nfs/dbraw/zinc/16/30/56/491163056.db2.gz	XTWYTFMLZFPYCI-KQYNXXCUSA-N	-2	1	427.203	-1.746	50	0	endogenous,in-man	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000012360703	491163055	/nfs/dbraw/zinc/16/30/55/491163055.db2.gz	XTWYTFMLZFPYCI-KQYNXXCUSA-N	-2	1	427.203	-1.746	50	0	endogenous,in-man	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000012503113	527576777	/nfs/dbraw/zinc/57/67/77/527576777.db2.gz	OLCWZBFDIYXLAA-ICQCTTRCSA-N	-2	1	425.231	-1.635	50	0		IAAAML
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000012503703	556404845	/nfs/dbraw/zinc/40/48/45/556404845.db2.gz	CIKGWCTVFSRMJU-JKUQZMGJSA-N	-2	1	427.203	-1.424	50	0		IAAAML
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000012503703	556404844	/nfs/dbraw/zinc/40/48/44/556404844.db2.gz	CIKGWCTVFSRMJU-JKUQZMGJSA-N	-2	1	427.203	-1.424	50	0		IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000012504289	527560140	/nfs/dbraw/zinc/56/01/40/527560140.db2.gz	QGWNDRXFNXRZMB-FJFJXFQQSA-N	-2	1	443.202	-2.453	50	0	in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000012504289	527560133	/nfs/dbraw/zinc/56/01/33/527560133.db2.gz	QGWNDRXFNXRZMB-FJFJXFQQSA-N	-2	1	443.202	-2.453	50	0	in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013436558	556506138	/nfs/dbraw/zinc/50/61/38/556506138.db2.gz	CIKGWCTVFSRMJU-ZLUOBGJFSA-N	-2	1	427.203	-1.424	50	0	in-vitro,metabolite	IAAAML
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013436558	556506135	/nfs/dbraw/zinc/50/61/35/556506135.db2.gz	CIKGWCTVFSRMJU-ZLUOBGJFSA-N	-2	1	427.203	-1.424	50	0	in-vitro,metabolite	IAAAML
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013436564	556506269	/nfs/dbraw/zinc/50/62/69/556506269.db2.gz	CIKGWCTVFSRMJU-SRQIZXRXSA-N	-2	1	427.203	-1.424	50	0	in-vitro,metabolite	IAAAML
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013436564	556506265	/nfs/dbraw/zinc/50/62/65/556506265.db2.gz	CIKGWCTVFSRMJU-SRQIZXRXSA-N	-2	1	427.203	-1.424	50	0	in-vitro,metabolite	IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000013527614	562991794	/nfs/dbraw/zinc/99/17/94/562991794.db2.gz	OLCWZBFDIYXLAA-IOSLPCCCSA-N	-2	1	425.231	-1.635	50	0	in-vivo	IAAAML
O=C([O-])CN1CCC[N@@H+](CC(=O)[O-])CCN(CC(=O)[O-])CCC[NH+](CC(=O)[O-])CC1	ZINC000022942356	557054009	/nfs/dbraw/zinc/05/40/09/557054009.db2.gz	JVHROZDXPAUZFK-UHFFFAOYSA-N	-2	1	432.474	-1.673	50	0	in-vitro	IAAAML
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000031977053	556698834	/nfs/dbraw/zinc/69/88/34/556698834.db2.gz	XTWYTFMLZFPYCI-DEGSGYPDSA-N	-2	1	427.203	-1.746	50	0	in-vitro	IAAAML
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000031977053	556698831	/nfs/dbraw/zinc/69/88/31/556698831.db2.gz	XTWYTFMLZFPYCI-DEGSGYPDSA-N	-2	1	427.203	-1.746	50	0	in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000034541308	568905716	/nfs/dbraw/zinc/90/57/16/568905716.db2.gz	QGWNDRXFNXRZMB-FTWQFJAYSA-N	-2	1	443.202	-2.453	50	0	in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1	ZINC000034541308	568905715	/nfs/dbraw/zinc/90/57/15/568905715.db2.gz	QGWNDRXFNXRZMB-FTWQFJAYSA-N	-2	1	443.202	-2.453	50	0	in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000080639694	569258613	/nfs/dbraw/zinc/25/86/13/569258613.db2.gz	QGWNDRXFNXRZMB-GFRUICAKSA-N	-2	1	443.202	-2.453	50	0	in-vitro	IAAAML
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000080639694	569258611	/nfs/dbraw/zinc/25/86/11/569258611.db2.gz	QGWNDRXFNXRZMB-GFRUICAKSA-N	-2	1	443.202	-2.453	50	0	in-vitro	IAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000095921560	568936695	/nfs/dbraw/zinc/93/66/95/568936695.db2.gz	JPXZQMKKFWMMGK-DEGSGYPDSA-N	-2	1	428.187	-2.035	50	0		IAAAML
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000095921560	568936693	/nfs/dbraw/zinc/93/66/93/568936693.db2.gz	JPXZQMKKFWMMGK-DEGSGYPDSA-N	-2	1	428.187	-2.035	50	0		IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])C[P@](=O)([O-])O)[C@H](O)[C@H]1O	ZINC000105469665	557331431	/nfs/dbraw/zinc/33/14/31/557331431.db2.gz	OLCWZBFDIYXLAA-GZCUOZMLSA-N	-2	1	425.231	-1.635	50	0		IAAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])C[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000219330894	569258988	/nfs/dbraw/zinc/25/89/88/569258988.db2.gz	OLCWZBFDIYXLAA-LEIICMHDSA-N	-2	1	425.231	-1.635	50	0		IAAAML