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]c(=O)n([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000001529898	374237985	/nfs/dbraw/zinc/23/79/85/374237985.db2.gz	HFEKDTCAMMOLQP-VQVTYTSYSA-N	-2	0	326.173	-1.567	50	0		EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000001532627	374238125	/nfs/dbraw/zinc/23/81/25/374238125.db2.gz	LTFMZDNNPPEQNG-SRQIZXRXSA-N	-2	0	347.224	-1.541	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000001571045	374862771	/nfs/dbraw/zinc/86/27/71/374862771.db2.gz	UDMBCSSLTHHNCD-HGOUYRHRSA-N	-2	0	347.224	-1.863	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000001631259	574411339	/nfs/dbraw/zinc/41/13/39/574411339.db2.gz	LNQVTSROQXJCDD-KQYNXXCUSA-N	-2	0	347.224	-1.863	50	0	endogenous,in-man	EAAARL
O=C([O-])CCn1c(=O)n(CCC(=O)[O-])c(=O)n(CCC(=O)[O-])c1=O	ZINC000001718509	304064818	/nfs/dbraw/zinc/06/48/18/304064818.db2.gz	HENCHDCLZDQGIQ-UHFFFAOYSA-N	-3	0	345.264	-2.404	50	0		EAAARL
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000001730395	374236987	/nfs/dbraw/zinc/23/69/87/374236987.db2.gz	LTFMZDNNPPEQNG-KVQBGUIXSA-N	-2	0	347.224	-1.541	50	0	endogenous,in-man	EAAARL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000001842158	374833140	/nfs/dbraw/zinc/83/31/40/374833140.db2.gz	UDMBCSSLTHHNCD-CMEPRQAFSA-N	-2	0	347.224	-1.863	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000002036187	374412475	/nfs/dbraw/zinc/41/24/75/374412475.db2.gz	QDFHPFSBQFLLSW-GAWUUDPSSA-N	-2	0	347.224	-1.863	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000002126310	374237356	/nfs/dbraw/zinc/23/73/56/374237356.db2.gz	UDMBCSSLTHHNCD-UHTZMRCNSA-N	-2	0	347.224	-1.863	50	0	in-man	EAAARL
O=C([O-])Cn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CC(=O)[O-])c3=O	ZINC000002464617	374238825	/nfs/dbraw/zinc/23/88/25/374238825.db2.gz	LSPZLZHCMOLECK-UHFFFAOYSA-N	-2	0	332.224	-1.918	50	0		EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@H](CO)O2)c(=O)[nH]1	ZINC000002522482	374239658	/nfs/dbraw/zinc/23/96/58/374239658.db2.gz	QQMSZHORHNORLP-SRQIZXRXSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003201891	374863195	/nfs/dbraw/zinc/86/31/95/374863195.db2.gz	UDMBCSSLTHHNCD-PERBPWGJSA-N	-2	0	347.224	-1.863	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003201893	201359968	/nfs/dbraw/zinc/35/99/68/201359968.db2.gz	UDMBCSSLTHHNCD-HUEBKHCJSA-N	-2	0	347.224	-1.863	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003830180	201360382	/nfs/dbraw/zinc/36/03/82/201360382.db2.gz	UDMBCSSLTHHNCD-WDHZHIADSA-N	-2	0	347.224	-1.863	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003860156	210079950	/nfs/dbraw/zinc/07/99/50/210079950.db2.gz	UDMBCSSLTHHNCD-KQYNXXCUSA-N	-2	0	347.224	-1.863	50	0	endogenous,world	EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000003861741	210080352	/nfs/dbraw/zinc/08/03/52/210080352.db2.gz	QDFHPFSBQFLLSW-KQYNXXCUSA-N	-2	0	347.224	-1.863	50	0	endogenous,in-man	EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000003869846	210081560	/nfs/dbraw/zinc/08/15/60/210081560.db2.gz	LTFMZDNNPPEQNG-ZLUOBGJFSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000003869847	210081975	/nfs/dbraw/zinc/08/19/75/210081975.db2.gz	LTFMZDNNPPEQNG-HCWXCVPCSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000003869848	210082109	/nfs/dbraw/zinc/08/21/09/210082109.db2.gz	LTFMZDNNPPEQNG-NGJCXOISSA-N	-2	0	347.224	-1.541	50	0		EAAARL
O=P([O-])([O-])OC[C@H]1O[C@@](O)(COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003869916	374239278	/nfs/dbraw/zinc/23/92/78/374239278.db2.gz	RNBGYGVWRKECFJ-ZXXMMSQZSA-N	-4	0	340.114	-2.986	50	0	endogenous,in-man	EAAARL
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000003871118	210082742	/nfs/dbraw/zinc/08/27/42/210082742.db2.gz	HFEKDTCAMMOLQP-ACZMJKKPSA-N	-2	0	326.173	-1.567	50	0		EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003882070	374239938	/nfs/dbraw/zinc/23/99/38/374239938.db2.gz	VIZPZFFVVXGXQO-MBMOQRBOSA-N	-4	0	326.087	-3.028	50	0		EAAARL
O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000004095589	374239028	/nfs/dbraw/zinc/23/90/28/374239028.db2.gz	RWHOZGRAXYWRNX-VFUOTHLCSA-N	-4	0	340.114	-2.987	50	0	endogenous,in-man	EAAARL
O=P([O-])([O-])O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004096301	374240780	/nfs/dbraw/zinc/24/07/80/374240780.db2.gz	MCKAJXMRULSUKI-UZAAGFTCSA-N	-4	0	340.114	-3.601	50	0	in-vitro,metabolite	EAAARL
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1N	ZINC000004096500	210119024	/nfs/dbraw/zinc/11/90/24/210119024.db2.gz	NOTGFIUVDGNKRI-UUOKFMHZSA-N	-2	0	338.213	-2.707	50	0	endogenous,investigational	EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000004096694	210119721	/nfs/dbraw/zinc/11/97/21/210119721.db2.gz	RNBGYGVWRKECFJ-ARQDHWQXSA-N	-4	0	340.114	-2.986	50	0	in-man,metabolite	EAAARL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000004228242	210148817	/nfs/dbraw/zinc/14/88/17/210148817.db2.gz	GRSZFWQUAKGDAV-KQYNXXCUSA-N	-2	0	348.208	-2.152	50	0	endogenous,in-man	EAAARL
O=C(COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000004523259	374241611	/nfs/dbraw/zinc/24/16/11/374241611.db2.gz	XPYBSIWDXQFNMH-UYFOZJQFSA-N	-4	0	340.114	-3.143	50	0	in-vitro,metabolite	EAAARL
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000004533552	374240976	/nfs/dbraw/zinc/24/09/76/374240976.db2.gz	XALREVCCJXUVAL-WDHZHIADSA-N	-2	0	348.208	-2.152	50	0		EAAARL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000004533554	210214607	/nfs/dbraw/zinc/21/46/07/210214607.db2.gz	XALREVCCJXUVAL-HGOUYRHRSA-N	-2	0	348.208	-2.152	50	0		EAAARL
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000004533555	374241158	/nfs/dbraw/zinc/24/11/58/374241158.db2.gz	XALREVCCJXUVAL-CMEPRQAFSA-N	-2	0	348.208	-2.152	50	0		EAAARL
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000004533556	210214472	/nfs/dbraw/zinc/21/44/72/210214472.db2.gz	XALREVCCJXUVAL-FCIPNVEPSA-N	-2	0	348.208	-2.152	50	0		EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@H](OP(=O)([O-])[O-])[C@H](CO)O2)c(=O)[nH]1	ZINC000004543679	210219244	/nfs/dbraw/zinc/21/92/44/210219244.db2.gz	QQMSZHORHNORLP-ZLUOBGJFSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000004806442	210282405	/nfs/dbraw/zinc/28/24/05/210282405.db2.gz	UDMBCSSLTHHNCD-GAWUUDPSSA-N	-2	0	347.224	-1.863	50	0	biogenic,in-vitro	EAAARL
O=C([O-])C1C(C(=O)[O-])C(C(=O)[O-])C(C(=O)[O-])C(C(=O)[O-])C1C(=O)[O-]	ZINC000006130094	304036545	/nfs/dbraw/zinc/03/65/45/304036545.db2.gz	DTGRIEIJTWNZQF-UHFFFAOYSA-N	-6	0	348.216	-1.795	50	0		EAAARL
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000006524115	374245970	/nfs/dbraw/zinc/24/59/70/374245970.db2.gz	HFEKDTCAMMOLQP-XVMARJQXSA-N	-2	0	326.173	-1.567	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000008613167	374384596	/nfs/dbraw/zinc/38/45/96/374384596.db2.gz	UDMBCSSLTHHNCD-XJCFNFQFSA-N	-2	0	347.224	-1.863	50	0	biogenic,in-vitro	EAAARL
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000008614391	374248198	/nfs/dbraw/zinc/24/81/98/374248198.db2.gz	GRSZFWQUAKGDAV-WDHZHIADSA-N	-2	0	348.208	-2.152	50	0	in-vitro	EAAARL
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000008614393	374248002	/nfs/dbraw/zinc/24/80/02/374248002.db2.gz	GRSZFWQUAKGDAV-HUEBKHCJSA-N	-2	0	348.208	-2.152	50	0	in-vitro	EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000011680412	374727861	/nfs/dbraw/zinc/72/78/61/374727861.db2.gz	RNBGYGVWRKECFJ-JGWLITMVSA-N	-4	0	340.114	-2.986	50	0	in-vivo	EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000011680415	374726511	/nfs/dbraw/zinc/72/65/11/374726511.db2.gz	RNBGYGVWRKECFJ-KVTDHHQDSA-N	-4	0	340.114	-2.986	50	0		EAAARL
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000012296728	201364714	/nfs/dbraw/zinc/36/47/14/201364714.db2.gz	LTFMZDNNPPEQNG-HSUXUTPPSA-N	-2	0	347.224	-1.541	50	0		EAAARL
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000012502210	374252833	/nfs/dbraw/zinc/25/28/33/374252833.db2.gz	XPYBSIWDXQFNMH-LFRDXLMFSA-N	-4	0	340.114	-3.143	50	0		EAAARL
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000012502212	374253729	/nfs/dbraw/zinc/25/37/29/374253729.db2.gz	XPYBSIWDXQFNMH-PUFIMZNGSA-N	-4	0	340.114	-3.143	50	0		EAAARL
O=C(COP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000012502214	374253299	/nfs/dbraw/zinc/25/32/99/374253299.db2.gz	XPYBSIWDXQFNMH-FUTKDDECSA-N	-4	0	340.114	-3.143	50	0		EAAARL
O=C(COP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000012502216	374253957	/nfs/dbraw/zinc/25/39/57/374253957.db2.gz	XPYBSIWDXQFNMH-PYWDMBMJSA-N	-4	0	340.114	-3.143	50	0	in-vitro	EAAARL
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000012503902	211394975	/nfs/dbraw/zinc/39/49/75/211394975.db2.gz	HFEKDTCAMMOLQP-QYNIQEEDSA-N	-2	0	326.173	-1.567	50	0		EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000012890045	374254691	/nfs/dbraw/zinc/25/46/91/374254691.db2.gz	VIZPZFFVVXGXQO-LECHCGJUSA-N	-4	0	326.087	-3.028	50	0		EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000012890051	374254958	/nfs/dbraw/zinc/25/49/58/374254958.db2.gz	VIZPZFFVVXGXQO-AIHAYLRMSA-N	-4	0	326.087	-3.028	50	0		EAAARL
O=P([O-])([O-])OC[C@H]1O[C@](O)(OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000012890057	374255232	/nfs/dbraw/zinc/25/52/32/374255232.db2.gz	VIZPZFFVVXGXQO-STGXQOJASA-N	-4	0	326.087	-3.028	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000012958381	374254586	/nfs/dbraw/zinc/25/45/86/374254586.db2.gz	LNQVTSROQXJCDD-GAWUUDPSSA-N	-2	0	347.224	-1.863	50	0	in-vitro	EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000013424932	374256223	/nfs/dbraw/zinc/25/62/23/374256223.db2.gz	QDFHPFSBQFLLSW-UHTZMRCNSA-N	-2	0	347.224	-1.863	50	0		EAAARL
O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)[nH]1	ZINC000013517211	374726525	/nfs/dbraw/zinc/72/65/25/374726525.db2.gz	OEUXFECIJDETRF-XVFCMESISA-N	-2	0	340.250	-1.366	50	0	in-vitro	EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000013527599	374255051	/nfs/dbraw/zinc/25/50/51/374255051.db2.gz	LTFMZDNNPPEQNG-PBXRRBTRSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000013527603	374256353	/nfs/dbraw/zinc/25/63/53/374256353.db2.gz	LTFMZDNNPPEQNG-JKUQZMGJSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000013546985	374254661	/nfs/dbraw/zinc/25/46/61/374254661.db2.gz	LNQVTSROQXJCDD-UHTZMRCNSA-N	-2	0	347.224	-1.863	50	0		EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]1	ZINC000014963236	374258316	/nfs/dbraw/zinc/25/83/16/374258316.db2.gz	QQMSZHORHNORLP-PBXRRBTRSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1nc2c(ncn2[C@@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]1	ZINC000014963244	374257664	/nfs/dbraw/zinc/25/76/64/374257664.db2.gz	QQMSZHORHNORLP-JKUQZMGJSA-N	-2	0	347.224	-1.541	50	0		EAAARL
Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O2)c(=O)[nH]1	ZINC000014963248	374827929	/nfs/dbraw/zinc/82/79/29/374827929.db2.gz	QQMSZHORHNORLP-KVQBGUIXSA-N	-2	0	347.224	-1.541	50	0	in-vitro	EAAARL
Nc1nc2c(ncn2[C@@H]2O[C@H](C[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000017610737	374260107	/nfs/dbraw/zinc/26/01/07/374260107.db2.gz	WXQSIZSBZUXYQW-FJFJXFQQSA-N	-2	0	347.224	-2.501	50	0		EAAARL
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1	ZINC000033327121	374260722	/nfs/dbraw/zinc/26/07/22/374260722.db2.gz	HDZRDUGRSYLGEZ-UHFFFAOYSA-N	-2	0	346.346	-1.489	50	0		EAAARL
O=C([O-])C[NH2+]CCN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000034033067	304069683	/nfs/dbraw/zinc/06/96/83/304069683.db2.gz	SLIOGOFAZDOJQA-UHFFFAOYSA-N	-2	0	335.313	-2.482	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000044960119	374495267	/nfs/dbraw/zinc/49/52/67/374495267.db2.gz	QDFHPFSBQFLLSW-XJCFNFQFSA-N	-2	0	347.224	-1.863	50	0		EAAARL
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OP(=O)([O-])[O-]	ZINC000064033513	374297695	/nfs/dbraw/zinc/29/76/95/374297695.db2.gz	KCQFVMIHWCYRMC-UAKXSSHOSA-N	-2	0	339.197	-3.092	50	0		EAAARL
O=C([O-])CCNC(=O)N1CCN(CC(=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000077457154	304055037	/nfs/dbraw/zinc/05/50/37/304055037.db2.gz	YDNRAWIGHMZDFR-BDAKNGLRSA-N	-2	0	349.365	-1.962	50	0		EAAARL
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](OP(=O)([O-])[O-])[C@@H]1O	ZINC000079090744	374328248	/nfs/dbraw/zinc/32/82/48/374328248.db2.gz	LNQVTSROQXJCDD-XJCFNFQFSA-N	-2	0	347.224	-1.863	50	0	in-vitro	EAAARL
NC(=O)c1c(N)ncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000088466335	374879920	/nfs/dbraw/zinc/87/99/20/374879920.db2.gz	UDYDDOATBNVEES-UUOKFMHZSA-N	-2	0	338.213	-2.707	50	0		EAAARL
O=C([O-])CCN1CCN(C(=O)NCC(=O)[O-])[C@H]2CS(=O)(=O)C[C@H]21	ZINC000091587429	304053071	/nfs/dbraw/zinc/05/30/71/304053071.db2.gz	WCZFIVQBQLEIJY-BDAKNGLRSA-N	-2	0	349.365	-1.962	50	0		EAAARL
O=C([O-])[C@H]1CN(C(=O)Cc2nnn[n-]2)CCN(c2cnccn2)C1	ZINC000097636556	671909739	/nfs/dbraw/zinc/90/97/39/671909739.db2.gz	VNCHAUNVCXWYRU-SECBINFHSA-N	-2	0	332.324	-1.418	50	0		EAAARL
O=C([O-])[C@@H]1CN(C(=O)Cc2nnn[n-]2)CCN(c2cnccn2)C1	ZINC000097636557	671909884	/nfs/dbraw/zinc/90/98/84/671909884.db2.gz	VNCHAUNVCXWYRU-VIFPVBQESA-N	-2	0	332.324	-1.418	50	0		EAAARL
O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000100016166	374346327	/nfs/dbraw/zinc/34/63/27/374346327.db2.gz	PELZSPZCXGTUMR-RTPHHQFDSA-N	-4	0	340.114	-3.601	50	0	endogenous,in-man	EAAARL
O=C(CCc1c([O-])[nH]c(=O)[nH]c1=O)CCc1c([O-])[nH]c(=O)[nH]c1=O	ZINC000198715209	375159763	/nfs/dbraw/zinc/15/97/63/375159763.db2.gz	MJVRTJAFGIJXJY-UHFFFAOYSA-N	-2	0	338.276	-1.920	50	0		EAAARL
Nc1nnc(CCC(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])c(=O)[n-]1	ZINC000223652489	414911439	/nfs/dbraw/zinc/91/14/39/414911439.db2.gz	RAOCXBXOQAWODU-BDAKNGLRSA-N	-2	0	341.324	-1.945	50	0		EAAARL