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)OC[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000001529544	383902289	/nfs/dbraw/zinc/90/22/89/383902289.db2.gz	VJDOAZKNBQCAGE-LMVFSUKVSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000001529544	383902281	/nfs/dbraw/zinc/90/22/81/383902281.db2.gz	VJDOAZKNBQCAGE-LMVFSUKVSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000001529548	560180890	/nfs/dbraw/zinc/18/08/90/560180890.db2.gz	VJDOAZKNBQCAGE-UOWFLXDJSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000001529548	560180888	/nfs/dbraw/zinc/18/08/88/560180888.db2.gz	VJDOAZKNBQCAGE-UOWFLXDJSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
[NH3+][C@@H](CCC(=O)O[P@](=O)([O-])O)C(=O)[O-]	ZINC000001529624	571680229	/nfs/dbraw/zinc/68/02/29/571680229.db2.gz	PJRXVIJAERNUIP-VKHMYHEASA-N	-1	2	227.109	-1.186	10	0	endogenous,in-man	BAAELM
[NH3+][C@@H](CCC(=O)O[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001529624	571680226	/nfs/dbraw/zinc/68/02/26/571680226.db2.gz	PJRXVIJAERNUIP-VKHMYHEASA-N	-1	2	227.109	-1.186	10	0	endogenous,in-man	BAAELM
[NH3+][C@H](CCC(=O)[O-])C(=O)O[P@](=O)([O-])O	ZINC000001529735	560181051	/nfs/dbraw/zinc/18/10/51/560181051.db2.gz	YHMNHCAJNORJNE-GSVOUGTGSA-N	-1	2	227.109	-1.186	10	0	in-vitro	BAAELM
[NH3+][C@H](CCC(=O)[O-])C(=O)O[P@@](=O)([O-])O	ZINC000001529735	560181050	/nfs/dbraw/zinc/18/10/50/560181050.db2.gz	YHMNHCAJNORJNE-GSVOUGTGSA-N	-1	2	227.109	-1.186	10	0	in-vitro	BAAELM
[NH3+][C@@H](CNC(=O)CO[P@](=O)([O-])O)C(=O)[O-]	ZINC000001529852	560181115	/nfs/dbraw/zinc/18/11/15/560181115.db2.gz	JSJJKZQTMZKNCS-VKHMYHEASA-N	-1	2	242.124	-2.376	10	0	in-vitro	BAAELM
[NH3+][C@@H](CNC(=O)CO[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001529852	560181114	/nfs/dbraw/zinc/18/11/14/560181114.db2.gz	JSJJKZQTMZKNCS-VKHMYHEASA-N	-1	2	242.124	-2.376	10	0	in-vitro	BAAELM
[NH3+][C@@H](CCC(=O)[O-])C(=O)O[P@](=O)([O-])O	ZINC000001530272	560181292	/nfs/dbraw/zinc/18/12/92/560181292.db2.gz	YHMNHCAJNORJNE-VKHMYHEASA-N	-1	2	227.109	-1.186	10	0	in-vitro	BAAELM
[NH3+][C@@H](CCC(=O)[O-])C(=O)O[P@@](=O)([O-])O	ZINC000001530272	560181291	/nfs/dbraw/zinc/18/12/91/560181291.db2.gz	YHMNHCAJNORJNE-VKHMYHEASA-N	-1	2	227.109	-1.186	10	0	in-vitro	BAAELM
C[C@](O)(CO)[C@H](O)CO[P@](=O)([O-])O	ZINC000001532264	383902267	/nfs/dbraw/zinc/90/22/67/383902267.db2.gz	XMWHRVNVKDKBRG-UHNVWZDZSA-N	-1	2	216.126	-1.800	10	0	in-vitro,metabolite	BAAELM
C[C@](O)(CO)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001532264	383902260	/nfs/dbraw/zinc/90/22/60/383902260.db2.gz	XMWHRVNVKDKBRG-UHNVWZDZSA-N	-1	2	216.126	-1.800	10	0	in-vitro,metabolite	BAAELM
CC(=O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000001532265	187301392	/nfs/dbraw/zinc/30/13/92/187301392.db2.gz	AJPADPZSRRUGHI-RFZPGFLSSA-N	-1	2	214.110	-1.594	10	0	endogenous,in-man	BAAELM
CC(=O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000001532265	187301390	/nfs/dbraw/zinc/30/13/90/187301390.db2.gz	AJPADPZSRRUGHI-RFZPGFLSSA-N	-1	2	214.110	-1.594	10	0	endogenous,in-man	BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O	ZINC000001532546	571679989	/nfs/dbraw/zinc/67/99/89/571679989.db2.gz	KTVPXOYAKDPRHY-FCAWWPLPSA-N	-1	2	230.109	-2.465	10	0	endogenous,in-man	BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O	ZINC000001532546	571679986	/nfs/dbraw/zinc/67/99/86/571679986.db2.gz	KTVPXOYAKDPRHY-FCAWWPLPSA-N	-1	2	230.109	-2.465	10	0	endogenous,in-man	BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O	ZINC000001532547	571680251	/nfs/dbraw/zinc/68/02/51/571680251.db2.gz	KTVPXOYAKDPRHY-NEEWWZBLSA-N	-1	2	230.109	-2.465	10	0	endogenous,in-man	BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O	ZINC000001532547	571680248	/nfs/dbraw/zinc/68/02/48/571680248.db2.gz	KTVPXOYAKDPRHY-NEEWWZBLSA-N	-1	2	230.109	-2.465	10	0	endogenous,in-man	BAAELM
O=C(CO)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000001532851	574411215	/nfs/dbraw/zinc/41/12/15/574411215.db2.gz	FNZLKVNUWIIPSJ-CRCLSJGQSA-N	-1	2	230.109	-2.621	10	0	endogenous,in-vitro	BAAELM
O=C(CO)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000001532851	574411214	/nfs/dbraw/zinc/41/12/14/574411214.db2.gz	FNZLKVNUWIIPSJ-CRCLSJGQSA-N	-1	2	230.109	-2.621	10	0	endogenous,in-vitro	BAAELM
CCn1nnc2c1nc(N)nc2[P@](=O)([O-])O	ZINC000001614527	172287939	/nfs/dbraw/zinc/28/79/39/172287939.db2.gz	CNJCJURCLVEMIC-UHFFFAOYSA-N	-1	2	244.151	-1.374	10	0		BAAELM
CCn1nnc2c1nc(N)nc2[P@@](=O)([O-])O	ZINC000001614527	172287936	/nfs/dbraw/zinc/28/79/36/172287936.db2.gz	CNJCJURCLVEMIC-UHFFFAOYSA-N	-1	2	244.151	-1.374	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H](O)[C@@H](O)CO	ZINC000003581111	560188889	/nfs/dbraw/zinc/18/88/89/560188889.db2.gz	QRDCEYBRRFPBMZ-IUYQGCFVSA-N	-1	2	202.099	-2.190	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@@H](O)[C@@H](O)CO	ZINC000003581111	560188888	/nfs/dbraw/zinc/18/88/88/560188888.db2.gz	QRDCEYBRRFPBMZ-IUYQGCFVSA-N	-1	2	202.099	-2.190	10	0	in-vitro	BAAELM
C[C@@](O)(CO)[C@H](O)CO[P@](=O)([O-])O	ZINC000003869214	372081565	/nfs/dbraw/zinc/08/15/65/372081565.db2.gz	XMWHRVNVKDKBRG-RFZPGFLSSA-N	-1	2	216.126	-1.800	10	0	in-vitro,metabolite	BAAELM
C[C@@](O)(CO)[C@H](O)CO[P@@](=O)([O-])O	ZINC000003869214	372081556	/nfs/dbraw/zinc/08/15/56/372081556.db2.gz	XMWHRVNVKDKBRG-RFZPGFLSSA-N	-1	2	216.126	-1.800	10	0	in-vitro,metabolite	BAAELM
C[C@](O)(CO)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869216	388388101	/nfs/dbraw/zinc/38/81/01/388388101.db2.gz	XMWHRVNVKDKBRG-WHFBIAKZSA-N	-1	2	216.126	-1.800	10	0	in-vitro,metabolite	BAAELM
C[C@](O)(CO)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869216	388388099	/nfs/dbraw/zinc/38/80/99/388388099.db2.gz	XMWHRVNVKDKBRG-WHFBIAKZSA-N	-1	2	216.126	-1.800	10	0	in-vitro,metabolite	BAAELM
CC(=O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O	ZINC000003869845	188160068	/nfs/dbraw/zinc/16/00/68/188160068.db2.gz	AJPADPZSRRUGHI-CRCLSJGQSA-N	-1	2	214.110	-1.594	10	0		BAAELM
CC(=O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003869845	188160067	/nfs/dbraw/zinc/16/00/67/188160067.db2.gz	AJPADPZSRRUGHI-CRCLSJGQSA-N	-1	2	214.110	-1.594	10	0		BAAELM
[NH3+][C@@H](CC(=O)O[P@](=O)([O-])O)C(=O)[O-]	ZINC000003870028	571684022	/nfs/dbraw/zinc/68/40/22/571684022.db2.gz	IXZNKTPIYKDIGG-REOHCLBHSA-N	-1	2	213.082	-1.576	10	0	endogenous,in-man	BAAELM
[NH3+][C@@H](CC(=O)O[P@@](=O)([O-])O)C(=O)[O-]	ZINC000003870028	571684020	/nfs/dbraw/zinc/68/40/20/571684020.db2.gz	IXZNKTPIYKDIGG-REOHCLBHSA-N	-1	2	213.082	-1.576	10	0	endogenous,in-man	BAAELM
[NH3+][C@H](CC(=O)O[P@](=O)([O-])O)C(=O)[O-]	ZINC000003870029	571683973	/nfs/dbraw/zinc/68/39/73/571683973.db2.gz	IXZNKTPIYKDIGG-UWTATZPHSA-N	-1	2	213.082	-1.576	10	0	endogenous,in-man	BAAELM
[NH3+][C@H](CC(=O)O[P@@](=O)([O-])O)C(=O)[O-]	ZINC000003870029	571683972	/nfs/dbraw/zinc/68/39/72/571683972.db2.gz	IXZNKTPIYKDIGG-UWTATZPHSA-N	-1	2	213.082	-1.576	10	0	endogenous,in-man	BAAELM
[NH3+][C@H](C(=O)[O-])[C@H](O)CO[P@](=O)([O-])O	ZINC000003870147	571684346	/nfs/dbraw/zinc/68/43/46/571684346.db2.gz	FKHAKIJOKDGEII-GBXIJSLDSA-N	-1	2	215.098	-2.132	10	0	endogenous,in-man	BAAELM
[NH3+][C@H](C(=O)[O-])[C@H](O)CO[P@@](=O)([O-])O	ZINC000003870147	571684343	/nfs/dbraw/zinc/68/43/43/571684343.db2.gz	FKHAKIJOKDGEII-GBXIJSLDSA-N	-1	2	215.098	-2.132	10	0	endogenous,in-man	BAAELM
[NH3+][C@@H](C(=O)[O-])[C@@H](O)CO[P@](=O)([O-])O	ZINC000003870148	560190747	/nfs/dbraw/zinc/19/07/47/560190747.db2.gz	FKHAKIJOKDGEII-STHAYSLISA-N	-1	2	215.098	-2.132	10	0	in-vitro	BAAELM
[NH3+][C@@H](C(=O)[O-])[C@@H](O)CO[P@@](=O)([O-])O	ZINC000003870148	560190746	/nfs/dbraw/zinc/19/07/46/560190746.db2.gz	FKHAKIJOKDGEII-STHAYSLISA-N	-1	2	215.098	-2.132	10	0	in-vitro	BAAELM
[NH3+][C@@H](C(=O)[O-])[C@H](O)CO[P@](=O)([O-])O	ZINC000003870149	560190758	/nfs/dbraw/zinc/19/07/58/560190758.db2.gz	FKHAKIJOKDGEII-PWNYCUMCSA-N	-1	2	215.098	-2.132	10	0	in-vitro	BAAELM
[NH3+][C@@H](C(=O)[O-])[C@H](O)CO[P@@](=O)([O-])O	ZINC000003870149	560190757	/nfs/dbraw/zinc/19/07/57/560190757.db2.gz	FKHAKIJOKDGEII-PWNYCUMCSA-N	-1	2	215.098	-2.132	10	0	in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000003871579	560190904	/nfs/dbraw/zinc/19/09/04/560190904.db2.gz	VJDOAZKNBQCAGE-VPENINKCSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000003871579	560190902	/nfs/dbraw/zinc/19/09/02/560190902.db2.gz	VJDOAZKNBQCAGE-VPENINKCSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000004228296	571686190	/nfs/dbraw/zinc/68/61/90/571686190.db2.gz	KKZFLSZAWCYPOC-VPENINKCSA-N	-1	2	214.110	-1.436	10	0	endogenous,in-man	BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000004228296	571686185	/nfs/dbraw/zinc/68/61/85/571686185.db2.gz	KKZFLSZAWCYPOC-VPENINKCSA-N	-1	2	214.110	-1.436	10	0	endogenous,in-man	BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004521830	384391160	/nfs/dbraw/zinc/39/11/60/384391160.db2.gz	KTVPXOYAKDPRHY-MGCNEYSASA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004521830	384391155	/nfs/dbraw/zinc/39/11/55/384391155.db2.gz	KTVPXOYAKDPRHY-MGCNEYSASA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004521832	384388960	/nfs/dbraw/zinc/38/89/60/384388960.db2.gz	KTVPXOYAKDPRHY-SKNVOMKLSA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004521832	384388950	/nfs/dbraw/zinc/38/89/50/384388950.db2.gz	KTVPXOYAKDPRHY-SKNVOMKLSA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000005131869	384100988	/nfs/dbraw/zinc/10/09/88/384100988.db2.gz	XYTKBMAMGDBXPU-KVTDHHQDSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000005131869	384100978	/nfs/dbraw/zinc/10/09/78/384100978.db2.gz	XYTKBMAMGDBXPU-KVTDHHQDSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005830456	351196547	/nfs/dbraw/zinc/19/65/47/351196547.db2.gz	KTVPXOYAKDPRHY-NRXMZTRTSA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005830456	351196542	/nfs/dbraw/zinc/19/65/42/351196542.db2.gz	KTVPXOYAKDPRHY-NRXMZTRTSA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000006753390	387882188	/nfs/dbraw/zinc/88/21/88/387882188.db2.gz	XYTKBMAMGDBXPU-OMMKOOBNSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000006753390	387882184	/nfs/dbraw/zinc/88/21/84/387882184.db2.gz	XYTKBMAMGDBXPU-OMMKOOBNSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000006753400	387881851	/nfs/dbraw/zinc/88/18/51/387881851.db2.gz	XYTKBMAMGDBXPU-UNTFVMJOSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000006753400	387881847	/nfs/dbraw/zinc/88/18/47/387881847.db2.gz	XYTKBMAMGDBXPU-UNTFVMJOSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1O	ZINC000006761046	384726181	/nfs/dbraw/zinc/72/61/81/384726181.db2.gz	UQJFZAAGZAYVKZ-BXKVDMCESA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1O	ZINC000006761046	384726173	/nfs/dbraw/zinc/72/61/73/384726173.db2.gz	UQJFZAAGZAYVKZ-BXKVDMCESA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H](O)[C@H](O)[C@H](O)CO	ZINC000008551296	560209231	/nfs/dbraw/zinc/20/92/31/560209231.db2.gz	VJDOAZKNBQCAGE-MROZADKFSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@H](O)[C@H](O)[C@H](O)CO	ZINC000008551296	560209229	/nfs/dbraw/zinc/20/92/29/560209229.db2.gz	VJDOAZKNBQCAGE-MROZADKFSA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000008551297	560209235	/nfs/dbraw/zinc/20/92/35/560209235.db2.gz	VJDOAZKNBQCAGE-VAYJURFESA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000008551297	560209234	/nfs/dbraw/zinc/20/92/34/560209234.db2.gz	VJDOAZKNBQCAGE-VAYJURFESA-N	-1	2	232.125	-2.829	10	0	in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012504153	386405628	/nfs/dbraw/zinc/40/56/28/386405628.db2.gz	KTVPXOYAKDPRHY-QTBDOELSSA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012504153	386405623	/nfs/dbraw/zinc/40/56/23/386405623.db2.gz	KTVPXOYAKDPRHY-QTBDOELSSA-N	-1	2	230.109	-2.465	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013544339	560219467	/nfs/dbraw/zinc/21/94/67/560219467.db2.gz	KAJAXXUCVJFKFM-SLPGGIOYSA-N	-1	2	244.136	-2.423	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013544339	560219466	/nfs/dbraw/zinc/21/94/66/560219466.db2.gz	KAJAXXUCVJFKFM-SLPGGIOYSA-N	-1	2	244.136	-2.423	10	0	in-vitro	BAAELM
NC(=O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000013580533	181278527	/nfs/dbraw/zinc/27/85/27/181278527.db2.gz	NMPLXCYYTOIGAX-PWNYCUMCSA-N	-1	2	215.098	-2.697	10	0		BAAELM
NC(=O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000013580533	181278523	/nfs/dbraw/zinc/27/85/23/181278523.db2.gz	NMPLXCYYTOIGAX-PWNYCUMCSA-N	-1	2	215.098	-2.697	10	0		BAAELM
Nc1nc(=O)c2c([nH]1)NCC(C(=O)[O-])=N2	ZINC000014419835	385221176	/nfs/dbraw/zinc/22/11/76/385221176.db2.gz	IEFMEURWCRZZJQ-UHFFFAOYSA-N	-1	2	209.165	-1.065	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000022049133	384726956	/nfs/dbraw/zinc/72/69/56/384726956.db2.gz	XYTKBMAMGDBXPU-SLPGGIOYSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000022049133	384726949	/nfs/dbraw/zinc/72/69/49/384726949.db2.gz	XYTKBMAMGDBXPU-SLPGGIOYSA-N	-1	2	244.136	-2.423	10	0		BAAELM
NC(=O)[C@@H](O)[C@H](O)CO[P@](=O)([O-])O	ZINC000028393036	181266389	/nfs/dbraw/zinc/26/63/89/181266389.db2.gz	NMPLXCYYTOIGAX-GBXIJSLDSA-N	-1	2	215.098	-2.697	10	0		BAAELM
NC(=O)[C@@H](O)[C@H](O)CO[P@@](=O)([O-])O	ZINC000028393036	181266388	/nfs/dbraw/zinc/26/63/88/181266388.db2.gz	NMPLXCYYTOIGAX-GBXIJSLDSA-N	-1	2	215.098	-2.697	10	0		BAAELM
O=C([O-])C[NH2+]CCC[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000034185315	345818809	/nfs/dbraw/zinc/81/88/09/345818809.db2.gz	RMUGHYFYHCCULM-UHFFFAOYSA-N	-1	2	248.235	-1.478	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000034434903	346282601	/nfs/dbraw/zinc/28/26/01/346282601.db2.gz	XYTKBMAMGDBXPU-ARQDHWQXSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000034434903	346282599	/nfs/dbraw/zinc/28/25/99/346282599.db2.gz	XYTKBMAMGDBXPU-ARQDHWQXSA-N	-1	2	244.136	-2.423	10	0		BAAELM
C[C@H](O)C(=O)NCCO[P@](=O)([O-])O	ZINC000035784755	571753230	/nfs/dbraw/zinc/75/32/30/571753230.db2.gz	CKXSSEHWXMVQRZ-BYPYZUCNSA-N	-1	2	213.126	-1.407	10	0	endogenous,in-man	BAAELM
C[C@H](O)C(=O)NCCO[P@@](=O)([O-])O	ZINC000035784755	571753227	/nfs/dbraw/zinc/75/32/27/571753227.db2.gz	CKXSSEHWXMVQRZ-BYPYZUCNSA-N	-1	2	213.126	-1.407	10	0	endogenous,in-man	BAAELM
C[C@@H](O)C(=O)NCCO[P@](=O)([O-])O	ZINC000035784759	571753147	/nfs/dbraw/zinc/75/31/47/571753147.db2.gz	CKXSSEHWXMVQRZ-SCSAIBSYSA-N	-1	2	213.126	-1.407	10	0	endogenous,in-man	BAAELM
C[C@@H](O)C(=O)NCCO[P@@](=O)([O-])O	ZINC000035784759	571753142	/nfs/dbraw/zinc/75/31/42/571753142.db2.gz	CKXSSEHWXMVQRZ-SCSAIBSYSA-N	-1	2	213.126	-1.407	10	0	endogenous,in-man	BAAELM
C[C@@H](NC(=O)Cn1[nH]c(=O)ccc1=O)C(=O)[O-]	ZINC000036973663	175834602	/nfs/dbraw/zinc/83/46/02/175834602.db2.gz	IDBMNGIFWCTCBC-RXMQYKEDSA-N	-1	2	241.203	-1.462	10	0		BAAELM
CN(CC(=O)[O-])C(=O)Cn1[nH]c(=O)ccc1=O	ZINC000037438141	172613043	/nfs/dbraw/zinc/61/30/43/172613043.db2.gz	KTPNHUNECFXQCL-UHFFFAOYSA-N	-1	2	241.203	-1.508	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000039042752	386144894	/nfs/dbraw/zinc/14/48/94/386144894.db2.gz	XYTKBMAMGDBXPU-BGPJRJDNSA-N	-1	2	244.136	-2.423	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000039042752	386144891	/nfs/dbraw/zinc/14/48/91/386144891.db2.gz	XYTKBMAMGDBXPU-BGPJRJDNSA-N	-1	2	244.136	-2.423	10	0	in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000044699073	385875451	/nfs/dbraw/zinc/87/54/51/385875451.db2.gz	XYTKBMAMGDBXPU-FSIIMWSLSA-N	-1	2	244.136	-2.423	10	0	in-vitro	BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000044699073	385875447	/nfs/dbraw/zinc/87/54/47/385875447.db2.gz	XYTKBMAMGDBXPU-FSIIMWSLSA-N	-1	2	244.136	-2.423	10	0	in-vitro	BAAELM
C[C@@](O)(Cn1[nH]c(=O)ccc1=O)C(=O)[O-]	ZINC000070713748	374181350	/nfs/dbraw/zinc/18/13/50/374181350.db2.gz	VEZUMURWDHTDDG-MRVPVSSYSA-N	-1	2	214.177	-1.628	10	0		BAAELM
C[C@](O)(Cn1[nH]c(=O)ccc1=O)C(=O)[O-]	ZINC000070713749	374182358	/nfs/dbraw/zinc/18/23/58/374182358.db2.gz	VEZUMURWDHTDDG-QMMMGPOBSA-N	-1	2	214.177	-1.628	10	0		BAAELM
Nc1[nH]c2nc(=O)[nH]c(=O)c-2cc1C(=O)[O-]	ZINC000072416807	384122488	/nfs/dbraw/zinc/12/24/88/384122488.db2.gz	BIPLLLBCNGHMTG-UHFFFAOYSA-N	-1	2	222.160	-1.108	10	0		BAAELM
O=C(CO)[C@@H](O)CO[P@](=O)([O-])O	ZINC000100897690	571842578	/nfs/dbraw/zinc/84/25/78/571842578.db2.gz	WUVPHPUDYOVMOE-BYPYZUCNSA-N	-1	2	200.083	-1.982	10	0	endogenous,in-vitro	BAAELM
O=C(CO)[C@@H](O)CO[P@@](=O)([O-])O	ZINC000100897690	571842577	/nfs/dbraw/zinc/84/25/77/571842577.db2.gz	WUVPHPUDYOVMOE-BYPYZUCNSA-N	-1	2	200.083	-1.982	10	0	endogenous,in-vitro	BAAELM
O=C(CO)[C@H](O)CO[P@](=O)([O-])O	ZINC000100897693	571842572	/nfs/dbraw/zinc/84/25/72/571842572.db2.gz	WUVPHPUDYOVMOE-SCSAIBSYSA-N	-1	2	200.083	-1.982	10	0	endogenous,in-vitro	BAAELM
O=C(CO)[C@H](O)CO[P@@](=O)([O-])O	ZINC000100897693	571842571	/nfs/dbraw/zinc/84/25/71/571842571.db2.gz	WUVPHPUDYOVMOE-SCSAIBSYSA-N	-1	2	200.083	-1.982	10	0	endogenous,in-vitro	BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000106381243	362925962	/nfs/dbraw/zinc/92/59/62/362925962.db2.gz	XYTKBMAMGDBXPU-ZXXMMSQZSA-N	-1	2	244.136	-2.423	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000106381243	362925958	/nfs/dbraw/zinc/92/59/58/362925958.db2.gz	XYTKBMAMGDBXPU-ZXXMMSQZSA-N	-1	2	244.136	-2.423	10	0		BAAELM
Cc1nnc(NS(=O)(=O)CC(=O)[O-])[nH]1	ZINC000127132669	343241455	/nfs/dbraw/zinc/24/14/55/343241455.db2.gz	FPAINAXQLXYTQZ-UHFFFAOYSA-N	-1	2	220.210	-1.061	10	0		BAAELM
Cc1n[nH]c(NS(=O)(=O)CC(=O)[O-])n1	ZINC000127132669	343241454	/nfs/dbraw/zinc/24/14/54/343241454.db2.gz	FPAINAXQLXYTQZ-UHFFFAOYSA-N	-1	2	220.210	-1.061	10	0		BAAELM
O=C([O-])C(=O)C(=O)[N-]C1=[NH+]CCS1	ZINC000306632013	361363445	/nfs/dbraw/zinc/36/34/45/361363445.db2.gz	OKUFIEYLXLCXCM-UHFFFAOYSA-N	-1	2	202.191	-1.141	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@@H]1O[C@@H](O)C[C@H](O)[C@@H]1O	ZINC000396025664	344585084	/nfs/dbraw/zinc/58/50/84/344585084.db2.gz	UQJFZAAGZAYVKZ-AZGQCCRYSA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@]([O-])(O)OC[C@@H]1O[C@@H](O)C[C@H](O)[C@@H]1O	ZINC000396025664	344585083	/nfs/dbraw/zinc/58/50/83/344585083.db2.gz	UQJFZAAGZAYVKZ-AZGQCCRYSA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@H](O)C[C@H](O)[C@@H]1O	ZINC000616583600	349317457	/nfs/dbraw/zinc/31/74/57/349317457.db2.gz	UQJFZAAGZAYVKZ-FSIIMWSLSA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@H](O)C[C@H](O)[C@@H]1O	ZINC000616583600	349317454	/nfs/dbraw/zinc/31/74/54/349317454.db2.gz	UQJFZAAGZAYVKZ-FSIIMWSLSA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@@]([O-])(O)OC[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1O	ZINC000616583607	349317210	/nfs/dbraw/zinc/31/72/10/349317210.db2.gz	UQJFZAAGZAYVKZ-KCDKBNATSA-N	-1	2	244.136	-2.075	10	0		BAAELM
O=[P@]([O-])(O)OC[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1O	ZINC000616583607	349317208	/nfs/dbraw/zinc/31/72/08/349317208.db2.gz	UQJFZAAGZAYVKZ-KCDKBNATSA-N	-1	2	244.136	-2.075	10	0		BAAELM