smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H]1[C@@H](O[P@@](=O)([O-])O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000003870079	181051048	/nfs/dbraw/zinc/05/10/48/181051048.db2.gz	FZLJPEPAYPUMMR-YOWKYNACSA-N	-1	2	301.188	-2.961	10	0	in-vitro,metabolite	DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@](=O)([O-])O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000003870079	181051049	/nfs/dbraw/zinc/05/10/49/181051049.db2.gz	FZLJPEPAYPUMMR-YOWKYNACSA-N	-1	2	301.188	-2.961	10	0	in-vitro,metabolite	DAAELM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@@](=O)([O-])O	ZINC000006186566	181318631	/nfs/dbraw/zinc/31/86/31/181318631.db2.gz	FZLJPEPAYPUMMR-JAJWTYFOSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](=O)([O-])O	ZINC000006186566	181318632	/nfs/dbraw/zinc/31/86/32/181318632.db2.gz	FZLJPEPAYPUMMR-JAJWTYFOSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CC(=O)N[C@H]1[C@@H](O[P@@](=O)([O-])O)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000013512517	372804195	/nfs/dbraw/zinc/80/41/95/372804195.db2.gz	FZLJPEPAYPUMMR-QQGCVABSSA-N	-1	2	301.188	-2.961	10	0	in-vitro	DAAELM
CC(=O)N[C@H]1[C@@H](O[P@](=O)([O-])O)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000013512517	372804200	/nfs/dbraw/zinc/80/42/00/372804200.db2.gz	FZLJPEPAYPUMMR-QQGCVABSSA-N	-1	2	301.188	-2.961	10	0	in-vitro	DAAELM
CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000003870072	181050500	/nfs/dbraw/zinc/05/05/00/181050500.db2.gz	BRGMHAYQAZFZDJ-RLMOJYMMSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000003870072	181050503	/nfs/dbraw/zinc/05/05/03/181050503.db2.gz	BRGMHAYQAZFZDJ-RLMOJYMMSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H](C(=O)O[P@@](=O)([O-])O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000031439538	372885296	/nfs/dbraw/zinc/88/52/96/372885296.db2.gz	DXNSDORZXAMUDP-DBRKOABJSA-N	-1	2	317.187	-3.798	10	0		DAAELM
CC(=O)N[C@@H](C(=O)O[P@](=O)([O-])O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000031439538	372885301	/nfs/dbraw/zinc/88/53/01/372885301.db2.gz	DXNSDORZXAMUDP-DBRKOABJSA-N	-1	2	317.187	-3.798	10	0		DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000044136028	373213935	/nfs/dbraw/zinc/21/39/35/373213935.db2.gz	WODABQYEPQRZOS-DPYQTVNSSA-N	-1	2	324.186	-3.051	10	0	in-vitro	DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)n1	ZINC000044136028	373213944	/nfs/dbraw/zinc/21/39/44/373213944.db2.gz	WODABQYEPQRZOS-DPYQTVNSSA-N	-1	2	324.186	-3.051	10	0	in-vitro	DAAELM
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000031413948	373283427	/nfs/dbraw/zinc/28/34/27/373283427.db2.gz	JQHZISUSXMJEPR-KVQBGUIXSA-N	-1	2	308.187	-2.022	10	0	in-vitro	DAAELM
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000031413948	373283435	/nfs/dbraw/zinc/28/34/35/373283435.db2.gz	JQHZISUSXMJEPR-KVQBGUIXSA-N	-1	2	308.187	-2.022	10	0	in-vitro	DAAELM
O=C([O-])CCC[NH2+][C@H](C(=O)[O-])[C@H](O)C[N@@H+]1CC[C@H]1C(=O)[O-]	ZINC000105430653	373617073	/nfs/dbraw/zinc/61/70/73/373617073.db2.gz	WLLINEYHMTWOHL-XKSSXDPKSA-N	-1	2	304.299	-1.586	10	0		DAAELM
O=C([O-])CCC[NH2+][C@H](C(=O)[O-])[C@H](O)C[N@H+]1CC[C@H]1C(=O)[O-]	ZINC000105430653	373617078	/nfs/dbraw/zinc/61/70/78/373617078.db2.gz	WLLINEYHMTWOHL-XKSSXDPKSA-N	-1	2	304.299	-1.586	10	0		DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)n1	ZINC000044136025	183395757	/nfs/dbraw/zinc/39/57/57/183395757.db2.gz	WODABQYEPQRZOS-JGWLITMVSA-N	-1	2	324.186	-3.051	10	0	in-vitro	DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)n1	ZINC000044136025	183395759	/nfs/dbraw/zinc/39/57/59/183395759.db2.gz	WODABQYEPQRZOS-JGWLITMVSA-N	-1	2	324.186	-3.051	10	0	in-vitro	DAAELM
COC(=O)[C@]1(OC)C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000095921578	409337163	/nfs/dbraw/zinc/33/71/63/409337163.db2.gz	KJQADXROFHHYNJ-JAKMQLQISA-N	-1	2	316.199	-1.878	10	0		DAAELM
COC(=O)[C@]1(OC)C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000095921578	409337169	/nfs/dbraw/zinc/33/71/69/409337169.db2.gz	KJQADXROFHHYNJ-JAKMQLQISA-N	-1	2	316.199	-1.878	10	0		DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003594178	409809409	/nfs/dbraw/zinc/80/94/09/409809409.db2.gz	WODABQYEPQRZOS-KVTDHHQDSA-N	-1	2	324.186	-3.051	10	0		DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000003594178	409809418	/nfs/dbraw/zinc/80/94/18/409809418.db2.gz	WODABQYEPQRZOS-KVTDHHQDSA-N	-1	2	324.186	-3.051	10	0		DAAELM
O=c1[nH]cc([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004095566	571684875	/nfs/dbraw/zinc/68/48/75/571684875.db2.gz	MOBMOJGXNHLLIR-GBNDHIKLSA-N	-1	2	324.182	-2.666	10	0	endogenous,in-man	DAAELM
O=c1[nH]cc([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004095566	571684882	/nfs/dbraw/zinc/68/48/82/571684882.db2.gz	MOBMOJGXNHLLIR-GBNDHIKLSA-N	-1	2	324.182	-2.666	10	0	endogenous,in-man	DAAELM
O=C1CCN([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)C(=O)N1	ZINC000005847330	181289007	/nfs/dbraw/zinc/28/90/07/181289007.db2.gz	WQQZADPPRABIFU-SHYZEUOFSA-N	-1	2	310.199	-1.487	10	0	in-vitro	DAAELM
O=C1CCN([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)C(=O)N1	ZINC000005847330	181289009	/nfs/dbraw/zinc/28/90/09/181289009.db2.gz	WQQZADPPRABIFU-SHYZEUOFSA-N	-1	2	310.199	-1.487	10	0	in-vitro	DAAELM
CC(=O)N[C@H]1[C@@H](O[P@@](=O)([O-])O)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000616582680	373056955	/nfs/dbraw/zinc/05/69/55/373056955.db2.gz	FZLJPEPAYPUMMR-GWVFRZDISA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@H]1[C@@H](O[P@](=O)([O-])O)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000616582680	373056967	/nfs/dbraw/zinc/05/69/67/373056967.db2.gz	FZLJPEPAYPUMMR-GWVFRZDISA-N	-1	2	301.188	-2.961	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@@H](O)[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000022063314	373671579	/nfs/dbraw/zinc/67/15/79/373671579.db2.gz	KJQADXROFHHYNJ-UTSKPXGSSA-N	-1	2	316.199	-1.878	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@@H](O)[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000022063314	373671583	/nfs/dbraw/zinc/67/15/83/373671583.db2.gz	KJQADXROFHHYNJ-UTSKPXGSSA-N	-1	2	316.199	-1.878	10	0		DAAELM
CS(=O)(=O)CCS(=O)(=O)Nc1nccnc1C(=O)[O-]	ZINC000063216528	184278978	/nfs/dbraw/zinc/27/89/78/184278978.db2.gz	DCHYWYIOUVZUEO-UHFFFAOYSA-N	-1	2	309.325	-1.039	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[P@@](=O)([O-])O	ZINC000004096362	278151129	/nfs/dbraw/zinc/15/11/29/278151129.db2.gz	FZLJPEPAYPUMMR-PVFLNQBWSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[P@](=O)([O-])O	ZINC000004096362	278151130	/nfs/dbraw/zinc/15/11/30/278151130.db2.gz	FZLJPEPAYPUMMR-PVFLNQBWSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
C[NH+](C)CC1(O)CC[NH+](CCS(=O)(=O)CC(=O)[O-])CC1	ZINC000710611546	969049750	/nfs/dbraw/zinc/04/97/50/969049750.db2.gz	QLUPWSVVCNPPIG-UHFFFAOYSA-N	-1	2	308.400	-1.126	10	0		DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000012501004	373183814	/nfs/dbraw/zinc/18/38/14/373183814.db2.gz	SDWIOXKHTFOULX-XWJKOJJASA-N	-1	2	324.186	-2.895	10	0		DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)n1	ZINC000012501004	373183821	/nfs/dbraw/zinc/18/38/21/373183821.db2.gz	SDWIOXKHTFOULX-XWJKOJJASA-N	-1	2	324.186	-2.895	10	0		DAAELM
N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]12	ZINC000031439096	373616110	/nfs/dbraw/zinc/61/61/10/373616110.db2.gz	RFDMQLYQQYSJMZ-CCXZUQQUSA-N	-1	2	305.183	-1.509	10	0		DAAELM
N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@H]12	ZINC000031439096	373616118	/nfs/dbraw/zinc/61/61/18/373616118.db2.gz	RFDMQLYQQYSJMZ-CCXZUQQUSA-N	-1	2	305.183	-1.509	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000022063311	373670966	/nfs/dbraw/zinc/67/09/66/373670966.db2.gz	KJQADXROFHHYNJ-VOQBNFLRSA-N	-1	2	316.199	-1.878	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000022063311	373670976	/nfs/dbraw/zinc/67/09/76/373670976.db2.gz	KJQADXROFHHYNJ-VOQBNFLRSA-N	-1	2	316.199	-1.878	10	0		DAAELM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@@H]1O	ZINC000004096363	373694876	/nfs/dbraw/zinc/69/48/76/373694876.db2.gz	BRGMHAYQAZFZDJ-UOLFYFMNSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@@H]1O	ZINC000004096363	373694881	/nfs/dbraw/zinc/69/48/81/373694881.db2.gz	BRGMHAYQAZFZDJ-UOLFYFMNSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CS(=O)(=O)CC[C@H](NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)[O-]	ZINC000020007706	182176708	/nfs/dbraw/zinc/17/67/08/182176708.db2.gz	TYAZLVMMVNOOCK-ZETCQYMHSA-N	-1	2	318.307	-1.302	10	0		DAAELM
O=C(Cn1[n-]c(=O)ccc1=O)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000173766832	263288519	/nfs/dbraw/zinc/28/85/19/263288519.db2.gz	HKLUNIRPXDDUPT-NSHDSACASA-N	-1	2	308.338	-1.530	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@@](=O)([O-])O	ZINC000004096361	278151092	/nfs/dbraw/zinc/15/10/92/278151092.db2.gz	FZLJPEPAYPUMMR-FMDGEEDCSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@](=O)([O-])O	ZINC000004096361	278151093	/nfs/dbraw/zinc/15/10/93/278151093.db2.gz	FZLJPEPAYPUMMR-FMDGEEDCSA-N	-1	2	301.188	-2.961	10	0	endogenous,in-man	DAAELM
CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000616582540	373057929	/nfs/dbraw/zinc/05/79/29/373057929.db2.gz	BRGMHAYQAZFZDJ-OMKQZNDVSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000616582540	373057943	/nfs/dbraw/zinc/05/79/43/373057943.db2.gz	BRGMHAYQAZFZDJ-OMKQZNDVSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@@](=O)([O-])O)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000013512521	373426187	/nfs/dbraw/zinc/42/61/87/373426187.db2.gz	FZLJPEPAYPUMMR-IMFYSGRJSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@](=O)([O-])O)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000013512521	373426202	/nfs/dbraw/zinc/42/62/02/373426202.db2.gz	FZLJPEPAYPUMMR-IMFYSGRJSA-N	-1	2	301.188	-2.961	10	0		DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000031817748	373692987	/nfs/dbraw/zinc/69/29/87/373692987.db2.gz	WODABQYEPQRZOS-ARQDHWQXSA-N	-1	2	324.186	-3.051	10	0		DAAELM
Nc1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000031817748	373692995	/nfs/dbraw/zinc/69/29/95/373692995.db2.gz	WODABQYEPQRZOS-ARQDHWQXSA-N	-1	2	324.186	-3.051	10	0		DAAELM
C[C@H]1CN([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000059103413	373694781	/nfs/dbraw/zinc/69/47/81/373694781.db2.gz	PGRQANKWVMVANW-RULNZFCNSA-N	-1	2	324.226	-1.241	10	0	in-vitro	DAAELM
C[C@H]1CN([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000059103413	373694787	/nfs/dbraw/zinc/69/47/87/373694787.db2.gz	PGRQANKWVMVANW-RULNZFCNSA-N	-1	2	324.226	-1.241	10	0	in-vitro	DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)n1	ZINC000022066425	257130209	/nfs/dbraw/zinc/13/02/09/257130209.db2.gz	SDWIOXKHTFOULX-GUMKFJOWSA-N	-1	2	324.186	-2.895	10	0		DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)n1	ZINC000022066425	257130211	/nfs/dbraw/zinc/13/02/11/257130211.db2.gz	SDWIOXKHTFOULX-GUMKFJOWSA-N	-1	2	324.186	-2.895	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000022063308	372783871	/nfs/dbraw/zinc/78/38/71/372783871.db2.gz	KJQADXROFHHYNJ-JAGXHNFQSA-N	-1	2	316.199	-1.878	10	0	in-vitro	DAAELM
COC(=O)[C@@]1(OC)C[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000022063308	372783877	/nfs/dbraw/zinc/78/38/77/372783877.db2.gz	KJQADXROFHHYNJ-JAGXHNFQSA-N	-1	2	316.199	-1.878	10	0	in-vitro	DAAELM
Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)nc1N	ZINC000013515420	373426587	/nfs/dbraw/zinc/42/65/87/373426587.db2.gz	RGDVNLHBCKWZDA-BWZBUEFSSA-N	-1	2	321.226	-1.108	10	0		DAAELM
Cc1cn([C@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)nc1N	ZINC000013515420	373426598	/nfs/dbraw/zinc/42/65/98/373426598.db2.gz	RGDVNLHBCKWZDA-BWZBUEFSSA-N	-1	2	321.226	-1.108	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@H](O)[C@H](O)[C@H](CO[P@@](=O)([O-])O)O1	ZINC000022063317	373669816	/nfs/dbraw/zinc/66/98/16/373669816.db2.gz	KJQADXROFHHYNJ-BMLSCUAFSA-N	-1	2	316.199	-1.878	10	0		DAAELM
COC(=O)[C@@]1(OC)C[C@H](O)[C@H](O)[C@H](CO[P@](=O)([O-])O)O1	ZINC000022063317	373669821	/nfs/dbraw/zinc/66/98/21/373669821.db2.gz	KJQADXROFHHYNJ-BMLSCUAFSA-N	-1	2	316.199	-1.878	10	0		DAAELM
CS(=O)(=O)CC[C@@H](NC(=O)c1cc(O)[nH]c(=O)c1)C(=O)[O-]	ZINC000020007703	182176675	/nfs/dbraw/zinc/17/66/75/182176675.db2.gz	TYAZLVMMVNOOCK-SSDOTTSWSA-N	-1	2	318.307	-1.302	10	0		DAAELM
O=C(CO)N[C@@H]1[C@H](O)O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000004096385	560194069	/nfs/dbraw/zinc/19/40/69/560194069.db2.gz	VKPOEZPMXKUZBS-BOSCHMPASA-N	-1	2	317.187	-3.988	10	0	in-vitro	DAAELM
O=C(CO)N[C@@H]1[C@H](O)O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000004096385	560194070	/nfs/dbraw/zinc/19/40/70/560194070.db2.gz	VKPOEZPMXKUZBS-BOSCHMPASA-N	-1	2	317.187	-3.988	10	0	in-vitro	DAAELM
O=CNCC(=O)N[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004096399	181072743	/nfs/dbraw/zinc/07/27/43/181072743.db2.gz	VDXLUNDMVKSKHO-XVFCMESISA-N	-1	2	314.187	-3.595	10	0	endogenous,in-man	DAAELM
O=CNCC(=O)N[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004096399	181072745	/nfs/dbraw/zinc/07/27/45/181072745.db2.gz	VDXLUNDMVKSKHO-XVFCMESISA-N	-1	2	314.187	-3.595	10	0	endogenous,in-man	DAAELM
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)nc1N	ZINC000004096130	181072940	/nfs/dbraw/zinc/07/29/40/181072940.db2.gz	RGDVNLHBCKWZDA-XLPZGREQSA-N	-1	2	321.226	-1.108	10	0	in-vitro	DAAELM
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)nc1N	ZINC000004096130	181072942	/nfs/dbraw/zinc/07/29/42/181072942.db2.gz	RGDVNLHBCKWZDA-XLPZGREQSA-N	-1	2	321.226	-1.108	10	0	in-vitro	DAAELM
Nc1ccn([C@@H]2O[C@H](NO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000031439350	372789218	/nfs/dbraw/zinc/78/92/18/372789218.db2.gz	BQAIGNPMSFSACN-BNHYGAARSA-N	-1	2	324.186	-2.984	10	0		DAAELM
Nc1ccn([C@@H]2O[C@H](NO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)n1	ZINC000031439350	372789229	/nfs/dbraw/zinc/78/92/29/372789229.db2.gz	BQAIGNPMSFSACN-BNHYGAARSA-N	-1	2	324.186	-2.984	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@@](=O)([O-])O)O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000616582681	373056737	/nfs/dbraw/zinc/05/67/37/373056737.db2.gz	FZLJPEPAYPUMMR-RZUNNTJFSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@](=O)([O-])O)O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000616582681	373056750	/nfs/dbraw/zinc/05/67/50/373056750.db2.gz	FZLJPEPAYPUMMR-RZUNNTJFSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@@](=O)([O-])O)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000001529901	373237980	/nfs/dbraw/zinc/23/79/80/373237980.db2.gz	FZLJPEPAYPUMMR-DMHSOCPYSA-N	-1	2	301.188	-2.961	10	0		DAAELM
CC(=O)N[C@@H]1[C@@H](O[P@](=O)([O-])O)O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000001529901	373237992	/nfs/dbraw/zinc/23/79/92/373237992.db2.gz	FZLJPEPAYPUMMR-DMHSOCPYSA-N	-1	2	301.188	-2.961	10	0		DAAELM
Nc1ncn([C@H]2C[C@@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)n1	ZINC000077271889	373649159	/nfs/dbraw/zinc/64/91/59/373649159.db2.gz	JQHZISUSXMJEPR-HSUXUTPPSA-N	-1	2	308.187	-2.022	10	0	in-vitro	DAAELM
Nc1ncn([C@H]2C[C@@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)n1	ZINC000077271889	373649166	/nfs/dbraw/zinc/64/91/66/373649166.db2.gz	JQHZISUSXMJEPR-HSUXUTPPSA-N	-1	2	308.187	-2.022	10	0	in-vitro	DAAELM
C[C@@H]1CN([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000058638375	184125677	/nfs/dbraw/zinc/12/56/77/184125677.db2.gz	PGRQANKWVMVANW-ULAWRXDQSA-N	-1	2	324.226	-1.241	10	0	in-vitro	DAAELM
C[C@@H]1CN([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)C(=O)NC1=O	ZINC000058638375	184125678	/nfs/dbraw/zinc/12/56/78/184125678.db2.gz	PGRQANKWVMVANW-ULAWRXDQSA-N	-1	2	324.226	-1.241	10	0	in-vitro	DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000012402859	303352764	/nfs/dbraw/zinc/35/27/64/303352764.db2.gz	SDWIOXKHTFOULX-AFCXAGJDSA-N	-1	2	324.186	-2.895	10	0	in-vitro	DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)n1	ZINC000012402859	303352766	/nfs/dbraw/zinc/35/27/66/303352766.db2.gz	SDWIOXKHTFOULX-AFCXAGJDSA-N	-1	2	324.186	-2.895	10	0	in-vitro	DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)n1	ZINC000022066422	303353019	/nfs/dbraw/zinc/35/30/19/303353019.db2.gz	SDWIOXKHTFOULX-ORKRIWSOSA-N	-1	2	324.186	-2.895	10	0		DAAELM
NC(=O)c1ncn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)n1	ZINC000022066422	303353021	/nfs/dbraw/zinc/35/30/21/303353021.db2.gz	SDWIOXKHTFOULX-ORKRIWSOSA-N	-1	2	324.186	-2.895	10	0		DAAELM