smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=P([O-])(O)CN1CC[NH2+]CCN(C[P@](=O)([O-])O)CC1	ZINC000019365654	182118636	/nfs/dbraw/zinc/11/86/36/182118636.db2.gz	IDAAYIXNILONEM-UHFFFAOYSA-N	-1	2	317.219	-1.536	1	0		DAAFLM
O=P([O-])(O)CN1CC[NH2+]CCN(C[P@@](=O)([O-])O)CC1	ZINC000019365654	182118638	/nfs/dbraw/zinc/11/86/38/182118638.db2.gz	IDAAYIXNILONEM-UHFFFAOYSA-N	-1	2	317.219	-1.536	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)N[C@@H](O)N2CCOC[P@@](=O)([O-])O	ZINC000043066905	183333653	/nfs/dbraw/zinc/33/36/53/183333653.db2.gz	MOLZRVKUJFFFAQ-MRVPVSSYSA-N	-1	2	307.203	-1.988	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)N[C@@H](O)N2CCOC[P@](=O)([O-])O	ZINC000043066905	183333654	/nfs/dbraw/zinc/33/36/54/183333654.db2.gz	MOLZRVKUJFFFAQ-MRVPVSSYSA-N	-1	2	307.203	-1.988	1	0		DAAFLM
O=CNCC(=O)N[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869330	560190394	/nfs/dbraw/zinc/19/03/94/560190394.db2.gz	VDXLUNDMVKSKHO-VXUIKNBNSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869330	560190393	/nfs/dbraw/zinc/19/03/93/560190393.db2.gz	VDXLUNDMVKSKHO-VXUIKNBNSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=c1ccn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000012503832	372776088	/nfs/dbraw/zinc/77/60/88/372776088.db2.gz	DJJCXFVJDGTHFX-JBBNEOJLSA-N	-1	2	324.182	-2.735	1	0		DAAFLM
O=c1ccn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000012503832	372776097	/nfs/dbraw/zinc/77/60/97/372776097.db2.gz	DJJCXFVJDGTHFX-JBBNEOJLSA-N	-1	2	324.182	-2.735	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@@H](CO)OC[P@@](=O)([O-])O	ZINC000042921631	183318017	/nfs/dbraw/zinc/31/80/17/183318017.db2.gz	SPLAHEWQICOEBR-YFKPBYRVSA-N	-1	2	321.230	-1.946	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@@H](CO)OC[P@](=O)([O-])O	ZINC000042921631	183318019	/nfs/dbraw/zinc/31/80/19/183318019.db2.gz	SPLAHEWQICOEBR-YFKPBYRVSA-N	-1	2	321.230	-1.946	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@H](CO)OC[P@@](=O)([O-])O	ZINC000042921633	183318380	/nfs/dbraw/zinc/31/83/80/183318380.db2.gz	SPLAHEWQICOEBR-RXMQYKEDSA-N	-1	2	321.230	-1.946	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)NCN2C[C@H](CO)OC[P@](=O)([O-])O	ZINC000042921633	183318384	/nfs/dbraw/zinc/31/83/84/183318384.db2.gz	SPLAHEWQICOEBR-RXMQYKEDSA-N	-1	2	321.230	-1.946	1	0		DAAFLM
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1	ZINC000013516551	560218311	/nfs/dbraw/zinc/21/83/11/560218311.db2.gz	SMHHXNJIRLTYFN-ZYUZMQFOSA-N	-1	2	307.195	-1.423	1	0	in-vitro	DAAFLM
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1	ZINC000013516551	560218312	/nfs/dbraw/zinc/21/83/12/560218312.db2.gz	SMHHXNJIRLTYFN-ZYUZMQFOSA-N	-1	2	307.195	-1.423	1	0	in-vitro	DAAFLM
Cc1cn([C@@H]2O[C@H](CO[P@@](=O)([O-])O)C[C@H]2O)c(=O)[nH]c1=O	ZINC000013540762	560219111	/nfs/dbraw/zinc/21/91/11/560219111.db2.gz	NZONAJJJGMXZKE-LKEWCRSYSA-N	-1	2	322.210	-1.397	1	0	in-vitro	DAAFLM
Cc1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O)C[C@H]2O)c(=O)[nH]c1=O	ZINC000013540762	560219112	/nfs/dbraw/zinc/21/91/12/560219112.db2.gz	NZONAJJJGMXZKE-LKEWCRSYSA-N	-1	2	322.210	-1.397	1	0	in-vitro	DAAFLM
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@@](=O)([O-])O	ZINC000013512514	560217966	/nfs/dbraw/zinc/21/79/66/560217966.db2.gz	FZLJPEPAYPUMMR-DWOUCZDBSA-N	-1	2	301.188	-2.961	1	0	in-vitro	DAAFLM
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](=O)([O-])O	ZINC000013512514	560217967	/nfs/dbraw/zinc/21/79/67/560217967.db2.gz	FZLJPEPAYPUMMR-DWOUCZDBSA-N	-1	2	301.188	-2.961	1	0	in-vitro	DAAFLM
O=C(CO)N[C@H]1[C@H](O)O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000013515189	560218174	/nfs/dbraw/zinc/21/81/74/560218174.db2.gz	VKPOEZPMXKUZBS-PNAXYBNRSA-N	-1	2	317.187	-3.988	1	0	in-vitro	DAAFLM
O=C(CO)N[C@H]1[C@H](O)O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000013515189	560218175	/nfs/dbraw/zinc/21/81/75/560218175.db2.gz	VKPOEZPMXKUZBS-PNAXYBNRSA-N	-1	2	317.187	-3.988	1	0	in-vitro	DAAFLM
O=c1[nH]cc([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003870177	181050651	/nfs/dbraw/zinc/05/06/51/181050651.db2.gz	MOBMOJGXNHLLIR-BDVNFPICSA-N	-1	2	324.182	-2.666	1	0		DAAFLM
O=c1[nH]cc([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000003870177	181050653	/nfs/dbraw/zinc/05/06/53/181050653.db2.gz	MOBMOJGXNHLLIR-BDVNFPICSA-N	-1	2	324.182	-2.666	1	0		DAAFLM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[P@@](=O)([O-])O	ZINC000003870081	181050732	/nfs/dbraw/zinc/05/07/32/181050732.db2.gz	FZLJPEPAYPUMMR-TVNFTVLESA-N	-1	2	301.188	-2.961	1	0	in-vitro,metabolite	DAAFLM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[P@](=O)([O-])O	ZINC000003870081	181050735	/nfs/dbraw/zinc/05/07/35/181050735.db2.gz	FZLJPEPAYPUMMR-TVNFTVLESA-N	-1	2	301.188	-2.961	1	0	in-vitro,metabolite	DAAFLM
CC(=O)N[C@H]1[C@@H](O[P@@](=O)([O-])O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000003870078	181051086	/nfs/dbraw/zinc/05/10/86/181051086.db2.gz	FZLJPEPAYPUMMR-FMGWEMOISA-N	-1	2	301.188	-2.961	1	0	in-vitro,metabolite	DAAFLM
CC(=O)N[C@H]1[C@@H](O[P@](=O)([O-])O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000003870078	181051088	/nfs/dbraw/zinc/05/10/88/181051088.db2.gz	FZLJPEPAYPUMMR-FMGWEMOISA-N	-1	2	301.188	-2.961	1	0	in-vitro,metabolite	DAAFLM
Nc1ncn([C@@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000005809528	181285690	/nfs/dbraw/zinc/28/56/90/181285690.db2.gz	WODABQYEPQRZOS-BGPJRJDNSA-N	-1	2	324.186	-3.051	1	0		DAAFLM
Nc1ncn([C@@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000005809528	181285693	/nfs/dbraw/zinc/28/56/93/181285693.db2.gz	WODABQYEPQRZOS-BGPJRJDNSA-N	-1	2	324.186	-3.051	1	0		DAAFLM
Nc1ncn([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000005809526	181286038	/nfs/dbraw/zinc/28/60/38/181286038.db2.gz	WODABQYEPQRZOS-FSIIMWSLSA-N	-1	2	324.186	-3.051	1	0		DAAFLM
Nc1ncn([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000005809526	181286040	/nfs/dbraw/zinc/28/60/40/181286040.db2.gz	WODABQYEPQRZOS-FSIIMWSLSA-N	-1	2	324.186	-3.051	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)NCN2CCOCC[P@@](=O)([O-])O	ZINC000043066641	183333290	/nfs/dbraw/zinc/33/32/90/183333290.db2.gz	FZOXQSGSMTWUDL-UHFFFAOYSA-N	-1	2	305.231	-1.264	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)NCN2CCOCC[P@](=O)([O-])O	ZINC000043066641	183333292	/nfs/dbraw/zinc/33/32/92/183333292.db2.gz	FZOXQSGSMTWUDL-UHFFFAOYSA-N	-1	2	305.231	-1.264	1	0		DAAFLM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1O	ZINC000013514788	560218156	/nfs/dbraw/zinc/21/81/56/560218156.db2.gz	ZQYXKIGZDRIQRE-UBKIQSJTSA-N	-1	2	324.182	-2.000	1	0	in-vitro	DAAFLM
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1O	ZINC000013514788	560218158	/nfs/dbraw/zinc/21/81/58/560218158.db2.gz	ZQYXKIGZDRIQRE-UBKIQSJTSA-N	-1	2	324.182	-2.000	1	0	in-vitro	DAAFLM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[P@@](=O)([O-])O	ZINC000012496902	571696057	/nfs/dbraw/zinc/69/60/57/571696057.db2.gz	FZLJPEPAYPUMMR-CBQIKETKSA-N	-1	2	301.188	-2.961	1	0	endogenous,in-man	DAAFLM
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[P@](=O)([O-])O	ZINC000012496902	571696060	/nfs/dbraw/zinc/69/60/60/571696060.db2.gz	FZLJPEPAYPUMMR-CBQIKETKSA-N	-1	2	301.188	-2.961	1	0	endogenous,in-man	DAAFLM
O=C(NCCO[P@@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000095618209	571797551	/nfs/dbraw/zinc/79/75/51/571797551.db2.gz	JNXDTQSHHDGYGF-JRTVQGFMSA-N	-1	2	319.203	-4.352	1	0	endogenous,in-man	DAAFLM
O=C(NCCO[P@](=O)([O-])O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000095618209	571797553	/nfs/dbraw/zinc/79/75/53/571797553.db2.gz	JNXDTQSHHDGYGF-JRTVQGFMSA-N	-1	2	319.203	-4.352	1	0	endogenous,in-man	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@@H](O)C[N@@H+]1CC[C@@H]1C(=O)[O-]	ZINC000071758298	304173795	/nfs/dbraw/zinc/17/37/95/304173795.db2.gz	GJRGEVKCJPPZIT-HXFLIBJXSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@@H](O)C[N@H+]1CC[C@@H]1C(=O)[O-]	ZINC000071758298	304173796	/nfs/dbraw/zinc/17/37/96/304173796.db2.gz	GJRGEVKCJPPZIT-HXFLIBJXSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
CCn1cc[n+](CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1	ZINC000095586545	185381824	/nfs/dbraw/zinc/38/18/24/185381824.db2.gz	DCXYDRCGDUSKLP-UHFFFAOYSA-O	-1	2	301.152	-1.203	1	0		DAAFLM
CCn1cc[n+](CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1	ZINC000095586545	185381825	/nfs/dbraw/zinc/38/18/25/185381825.db2.gz	DCXYDRCGDUSKLP-UHFFFAOYSA-O	-1	2	301.152	-1.203	1	0		DAAFLM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[P@@](=O)([O-])O	ZINC000003870080	181050903	/nfs/dbraw/zinc/05/09/03/181050903.db2.gz	FZLJPEPAYPUMMR-SLBCVNJHSA-N	-1	2	301.188	-2.961	1	0	in-vitro,metabolite	DAAFLM
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[P@](=O)([O-])O	ZINC000003870080	181050906	/nfs/dbraw/zinc/05/09/06/181050906.db2.gz	FZLJPEPAYPUMMR-SLBCVNJHSA-N	-1	2	301.188	-2.961	1	0	in-vitro,metabolite	DAAFLM
Nc1ncn([C@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000016952860	182065546	/nfs/dbraw/zinc/06/55/46/182065546.db2.gz	WODABQYEPQRZOS-ZXXMMSQZSA-N	-1	2	324.186	-3.051	1	0		DAAFLM
Nc1ncn([C@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)n1	ZINC000016952860	182065547	/nfs/dbraw/zinc/06/55/47/182065547.db2.gz	WODABQYEPQRZOS-ZXXMMSQZSA-N	-1	2	324.186	-3.051	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)N[C@H](O)N2CCOC[P@@](=O)([O-])O	ZINC000043066901	183333449	/nfs/dbraw/zinc/33/34/49/183333449.db2.gz	MOLZRVKUJFFFAQ-QMMMGPOBSA-N	-1	2	307.203	-1.988	1	0		DAAFLM
Nc1nc2c(c(=O)[nH]1)N[C@H](O)N2CCOC[P@](=O)([O-])O	ZINC000043066901	183333452	/nfs/dbraw/zinc/33/34/52/183333452.db2.gz	MOLZRVKUJFFFAQ-QMMMGPOBSA-N	-1	2	307.203	-1.988	1	0		DAAFLM
Nc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000058638426	184125613	/nfs/dbraw/zinc/12/56/13/184125613.db2.gz	ONSQLDCEJIIUJS-XVFCMESISA-N	-1	2	323.198	-2.446	1	0	in-vitro	DAAFLM
Nc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000058638426	184125615	/nfs/dbraw/zinc/12/56/15/184125615.db2.gz	ONSQLDCEJIIUJS-XVFCMESISA-N	-1	2	323.198	-2.446	1	0	in-vitro	DAAFLM
O=c1[nH]cc([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013552201	560219910	/nfs/dbraw/zinc/21/99/10/560219910.db2.gz	QJNQHNJPOXCQQR-RRKCRQDMSA-N	-1	2	308.183	-1.637	1	0	in-vitro	DAAFLM
O=c1[nH]cc([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]1	ZINC000013552201	560219911	/nfs/dbraw/zinc/21/99/11/560219911.db2.gz	QJNQHNJPOXCQQR-RRKCRQDMSA-N	-1	2	308.183	-1.637	1	0	in-vitro	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@H](O)C[N@@H+]1CC[C@@H]1C(=O)[O-]	ZINC000071758297	304173783	/nfs/dbraw/zinc/17/37/83/304173783.db2.gz	GJRGEVKCJPPZIT-BGZDPUMWSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@H](O)C[N@H+]1CC[C@@H]1C(=O)[O-]	ZINC000071758297	304173784	/nfs/dbraw/zinc/17/37/84/304173784.db2.gz	GJRGEVKCJPPZIT-BGZDPUMWSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869327	257137858	/nfs/dbraw/zinc/13/78/58/257137858.db2.gz	VDXLUNDMVKSKHO-YDKYIBAVSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869327	257137859	/nfs/dbraw/zinc/13/78/59/257137859.db2.gz	VDXLUNDMVKSKHO-YDKYIBAVSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=C(CO)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@@H]1O	ZINC000013515194	560218125	/nfs/dbraw/zinc/21/81/25/560218125.db2.gz	VKPOEZPMXKUZBS-BIAPBZAGSA-N	-1	2	317.187	-3.988	1	0	in-vitro	DAAFLM
O=C(CO)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@@H]1O	ZINC000013515194	560218126	/nfs/dbraw/zinc/21/81/26/560218126.db2.gz	VKPOEZPMXKUZBS-BIAPBZAGSA-N	-1	2	317.187	-3.988	1	0	in-vitro	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869328	560190347	/nfs/dbraw/zinc/19/03/47/560190347.db2.gz	VDXLUNDMVKSKHO-YDLFOAGRSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]1O	ZINC000003869328	560190348	/nfs/dbraw/zinc/19/03/48/560190348.db2.gz	VDXLUNDMVKSKHO-YDLFOAGRSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=c1[nH]cc([C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003870179	181050999	/nfs/dbraw/zinc/05/09/99/181050999.db2.gz	MOBMOJGXNHLLIR-BNHYGAARSA-N	-1	2	324.182	-2.666	1	0		DAAFLM
O=c1[nH]cc([C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000003870179	181051000	/nfs/dbraw/zinc/05/10/00/181051000.db2.gz	MOBMOJGXNHLLIR-BNHYGAARSA-N	-1	2	324.182	-2.666	1	0		DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@H](O)C[N@@H+]1CC[C@H]1C(=O)[O-]	ZINC000071758304	304173733	/nfs/dbraw/zinc/17/37/33/304173733.db2.gz	GJRGEVKCJPPZIT-KDXUFGMBSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@H](O)C[N@H+]1CC[C@H]1C(=O)[O-]	ZINC000071758304	304173736	/nfs/dbraw/zinc/17/37/36/304173736.db2.gz	GJRGEVKCJPPZIT-KDXUFGMBSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@@H](O)C[N@@H+]1CC[C@H]1C(=O)[O-]	ZINC000071758305	257128130	/nfs/dbraw/zinc/12/81/30/257128130.db2.gz	GJRGEVKCJPPZIT-KZVJFYERSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=C([O-])[C@H](O)CC[NH2+][C@H](C(=O)[O-])[C@@H](O)C[N@H+]1CC[C@H]1C(=O)[O-]	ZINC000071758305	257128131	/nfs/dbraw/zinc/12/81/31/257128131.db2.gz	GJRGEVKCJPPZIT-KZVJFYERSA-N	-1	2	320.298	-2.615	1	0	endogenous,in-man	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869329	560190322	/nfs/dbraw/zinc/19/03/22/560190322.db2.gz	VDXLUNDMVKSKHO-CCXZUQQUSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
O=CNCC(=O)N[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O	ZINC000003869329	560190323	/nfs/dbraw/zinc/19/03/23/560190323.db2.gz	VDXLUNDMVKSKHO-CCXZUQQUSA-N	-1	2	314.187	-3.595	1	0	in-vitro,metabolite	DAAFLM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@@](=O)([O-])O	ZINC000013512025	560217948	/nfs/dbraw/zinc/21/79/48/560217948.db2.gz	FZLJPEPAYPUMMR-OZRXBMAMSA-N	-1	2	301.188	-2.961	1	0	in-vitro	DAAFLM
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P@](=O)([O-])O	ZINC000013512025	560217950	/nfs/dbraw/zinc/21/79/50/560217950.db2.gz	FZLJPEPAYPUMMR-OZRXBMAMSA-N	-1	2	301.188	-2.961	1	0	in-vitro	DAAFLM
O=c1nc(NO)ccn1[C@H]1C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O1	ZINC000013835495	560220735	/nfs/dbraw/zinc/22/07/35/560220735.db2.gz	YKOWBJJOJNGCAD-SHYZEUOFSA-N	-1	2	323.198	-1.198	1	0	in-vitro	DAAFLM
O=c1nc(NO)ccn1[C@H]1C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O1	ZINC000013835495	560220736	/nfs/dbraw/zinc/22/07/36/560220736.db2.gz	YKOWBJJOJNGCAD-SHYZEUOFSA-N	-1	2	323.198	-1.198	1	0	in-vitro	DAAFLM