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	383902276	/nfs/dbraw/zinc/90/22/76/383902276.db2.gz	VJDOAZKNBQCAGE-LMVFSUKVSA-N	-2	0	232.125	-2.829	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000001529548	560180887	/nfs/dbraw/zinc/18/08/87/560180887.db2.gz	VJDOAZKNBQCAGE-UOWFLXDJSA-N	-2	0	232.125	-2.829	10	0	in-vitro	BAAERL
O=C(COP(=O)([O-])[O-])[C@@H](O)CO	ZINC000001529644	574411189	/nfs/dbraw/zinc/41/11/89/574411189.db2.gz	TZCZUVPSFJZERP-VKHMYHEASA-N	-2	0	200.083	-1.982	10	0	endogenous,in-vitro	BAAERL
O=C(COP(=O)([O-])[O-])[C@H](O)CO	ZINC000001529645	574411196	/nfs/dbraw/zinc/41/11/96/574411196.db2.gz	TZCZUVPSFJZERP-GSVOUGTGSA-N	-2	0	200.083	-1.982	10	0	endogenous,in-vitro	BAAERL
[NH3+][C@H](CCC(=O)[O-])C(=O)OP(=O)([O-])[O-]	ZINC000001529735	560181045	/nfs/dbraw/zinc/18/10/45/560181045.db2.gz	YHMNHCAJNORJNE-GSVOUGTGSA-N	-2	0	227.109	-1.186	10	0	in-vitro	BAAERL
O=P([O-])([O-])O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000001529780	356471069	/nfs/dbraw/zinc/47/10/69/356471069.db2.gz	ILXHFXFPPZGENN-MBMOQRBOSA-N	-2	0	230.109	-2.465	10	0		BAAERL
[NH3+][C@@H](CNC(=O)COP(=O)([O-])[O-])C(=O)[O-]	ZINC000001529852	560181113	/nfs/dbraw/zinc/18/11/13/560181113.db2.gz	JSJJKZQTMZKNCS-VKHMYHEASA-N	-2	0	242.124	-2.376	10	0	in-vitro	BAAERL
O=C([O-])C[C@](O)(CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000001529858	560181099	/nfs/dbraw/zinc/18/10/99/560181099.db2.gz	RQMCNDRMPZBEOD-SSDOTTSWSA-N	-3	0	220.133	-1.679	10	0	in-vitro,metabolite	BAAERL
O=C([O-])C[C@@](O)(CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000001529859	560181090	/nfs/dbraw/zinc/18/10/90/560181090.db2.gz	RQMCNDRMPZBEOD-ZETCQYMHSA-N	-3	0	220.133	-1.679	10	0	in-vitro,metabolite	BAAERL
CC(=O)N/C=C(\C(=O)[O-])[C@@H](CO)C(=O)[O-]	ZINC000001530027	560181310	/nfs/dbraw/zinc/18/13/10/560181310.db2.gz	BHXUWJPOOLFBAP-HYIMLASBSA-N	-2	0	217.177	-1.216	10	0	in-vitro	BAAERL
CC(=O)N/C=C(\C(=O)[O-])[C@H](CO)C(=O)[O-]	ZINC000001530029	560181306	/nfs/dbraw/zinc/18/13/06/560181306.db2.gz	BHXUWJPOOLFBAP-YTGOSFIHSA-N	-2	0	217.177	-1.216	10	0	in-vitro	BAAERL
O=C([O-])CC[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000001530258	560181300	/nfs/dbraw/zinc/18/13/00/560181300.db2.gz	OEJZZCGRGVFWHK-WVZVXSGGSA-N	-3	0	206.150	-1.003	10	0	in-vitro,metabolite	BAAERL
[NH3+][C@@H](CCC(=O)[O-])C(=O)OP(=O)([O-])[O-]	ZINC000001530272	560181289	/nfs/dbraw/zinc/18/12/89/560181289.db2.gz	YHMNHCAJNORJNE-VKHMYHEASA-N	-2	0	227.109	-1.186	10	0	in-vitro	BAAERL
O=P([O-])([O-])O[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000001530381	356616212	/nfs/dbraw/zinc/61/62/12/356616212.db2.gz	ILXHFXFPPZGENN-SQOUGZDYSA-N	-2	0	230.109	-2.465	10	0		BAAERL
C[C@](O)(CO)[C@H](O)COP(=O)([O-])[O-]	ZINC000001532264	383902256	/nfs/dbraw/zinc/90/22/56/383902256.db2.gz	XMWHRVNVKDKBRG-UHNVWZDZSA-N	-2	0	216.126	-1.800	10	0	in-vitro,metabolite	BAAERL
CC(=O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000001532265	187301388	/nfs/dbraw/zinc/30/13/88/187301388.db2.gz	AJPADPZSRRUGHI-RFZPGFLSSA-N	-2	0	214.110	-1.594	10	0	endogenous,in-man	BAAERL
O=C(CO)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000001532851	574411213	/nfs/dbraw/zinc/41/12/13/574411213.db2.gz	FNZLKVNUWIIPSJ-CRCLSJGQSA-N	-2	0	230.109	-2.621	10	0	endogenous,in-vitro	BAAERL
C[C@H](O)[C@@H](O)[C@H](O)C(=O)COP(=O)([O-])[O-]	ZINC000001532866	574411217	/nfs/dbraw/zinc/41/12/17/574411217.db2.gz	KNYGWWDTPGSEPD-OTWZMJIISA-N	-2	0	244.136	-2.233	10	0	endogenous,in-vitro	BAAERL
CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000001576041	187241724	/nfs/dbraw/zinc/24/17/24/187241724.db2.gz	VKDFHPOXOFZCEN-NJGYIYPDSA-N	-2	0	246.219	-1.445	10	0		BAAERL
CC(=O)N[C@H](C)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000001576044	188268784	/nfs/dbraw/zinc/26/87/84/188268784.db2.gz	VKDFHPOXOFZCEN-INEUFUBQSA-N	-2	0	246.219	-1.445	10	0		BAAERL
O=C([O-])C[C@@H]1NC(=O)[C@H](CC(=O)[O-])NC1=O	ZINC000001605297	386454807	/nfs/dbraw/zinc/45/48/07/386454807.db2.gz	NMAZZUSURHBTKP-IMJSIDKUSA-N	-2	0	230.176	-2.081	10	0		BAAERL
CCn1nnc2c1nc(N)nc2P(=O)([O-])[O-]	ZINC000001614527	172287932	/nfs/dbraw/zinc/28/79/32/172287932.db2.gz	CNJCJURCLVEMIC-UHFFFAOYSA-N	-2	0	244.151	-1.374	10	0		BAAERL
CC(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002099779	190973449	/nfs/dbraw/zinc/97/34/49/190973449.db2.gz	CQTYJLQESPLSOP-LURJTMIESA-N	-2	0	246.219	-1.443	10	0		BAAERL
O=C([O-])CC[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000002516279	560187305	/nfs/dbraw/zinc/18/73/05/560187305.db2.gz	OEJZZCGRGVFWHK-WUJLRWPWSA-N	-3	0	206.150	-1.003	10	0	in-vitro	BAAERL
C[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002560662	571683433	/nfs/dbraw/zinc/68/34/33/571683433.db2.gz	VYZAGTDAHUIRQA-RFZPGFLSSA-N	-2	0	218.209	-1.232	10	0	endogenous,in-man	BAAERL
[NH3+][C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000002564465	571683211	/nfs/dbraw/zinc/68/32/11/571683211.db2.gz	UKGGPJNBONZZCM-NTSWFWBYSA-N	-2	0	230.220	-1.136	10	0	endogenous,in-man	BAAERL
[NH3+][C@H](C(=O)[O-])C1[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000002568246	346512155	/nfs/dbraw/zinc/51/21/55/346512155.db2.gz	MATPZHBYOVDBLI-HZLVTQRSSA-N	-2	0	203.150	-1.570	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@@H](O)CO	ZINC000003581111	560188885	/nfs/dbraw/zinc/18/88/85/560188885.db2.gz	QRDCEYBRRFPBMZ-IUYQGCFVSA-N	-2	0	202.099	-2.190	10	0	in-vitro	BAAERL
O=C([O-])[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000003581449	574411976	/nfs/dbraw/zinc/41/19/76/574411976.db2.gz	HNECGPFIYSOYHF-JJYYJPOSSA-N	-3	0	246.108	-2.737	10	0	endogenous,in-vivo	BAAERL
O=C([O-])C(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC000003869290	571683931	/nfs/dbraw/zinc/68/39/31/571683931.db2.gz	MZJFVXDTNBHTKZ-UWTATZPHSA-N	-3	0	214.066	-1.890	10	0	endogenous,in-man	BAAERL
C[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003869673	342738684	/nfs/dbraw/zinc/73/86/84/342738684.db2.gz	PTVXQARCLQPGIR-PQMKYFCFSA-N	-2	0	244.136	-2.077	10	0		BAAERL
C[C@@H]1O[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000003869674	372082435	/nfs/dbraw/zinc/08/24/35/372082435.db2.gz	PTVXQARCLQPGIR-GNFDWLABSA-N	-2	0	244.136	-2.077	10	0		BAAERL
C[C@@](O)(C(=O)[O-])[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000003869728	176515295	/nfs/dbraw/zinc/51/52/95/176515295.db2.gz	HHKPKXCSHMJWCF-NFNCENRGSA-N	-3	0	206.150	-1.003	10	0	metabolite,world	BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@@H](O)c1c[nH]cn1	ZINC000003869788	571684274	/nfs/dbraw/zinc/68/42/74/571684274.db2.gz	HFYBTHCYPKEDQQ-RITPCOANSA-N	-2	0	238.136	-1.087	10	0	endogenous,in-man	BAAERL
O=P([O-])([O-])OC[C@H](O)[C@@H](O)c1c[nH]cn1	ZINC000003869790	560190486	/nfs/dbraw/zinc/19/04/86/560190486.db2.gz	HFYBTHCYPKEDQQ-WDSKDSINSA-N	-2	0	238.136	-1.087	10	0	in-vitro	BAAERL
O=C(COP(=O)([O-])[O-])[C@H](O)[C@@H](O)CO	ZINC000003869804	182000018	/nfs/dbraw/zinc/00/00/18/182000018.db2.gz	NBOCCPQHBPGYCX-WVZVXSGGSA-N	-2	0	230.109	-2.621	10	0	in-vitro,metabolite	BAAERL
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO	ZINC000003869805	182000340	/nfs/dbraw/zinc/00/03/40/182000340.db2.gz	NBOCCPQHBPGYCX-NQXXGFSBSA-N	-2	0	230.109	-2.621	10	0	endogenous,in-man	BAAERL
CC(=O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000003869845	188160066	/nfs/dbraw/zinc/16/00/66/188160066.db2.gz	AJPADPZSRRUGHI-CRCLSJGQSA-N	-2	0	214.110	-1.594	10	0		BAAERL
O=C([O-])[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000003869894	372081693	/nfs/dbraw/zinc/08/16/93/372081693.db2.gz	ZCZXOHUILRHRQJ-HRFVKAFMSA-N	-2	0	216.082	-2.098	10	0	in-vitro,metabolite	BAAERL
O=C([O-])[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000003869895	560190517	/nfs/dbraw/zinc/19/05/17/560190517.db2.gz	ZCZXOHUILRHRQJ-GBXIJSLDSA-N	-3	0	216.082	-2.098	10	0	in-vitro,metabolite	BAAERL
O=C([O-])[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000003869896	372082347	/nfs/dbraw/zinc/08/23/47/372082347.db2.gz	ZCZXOHUILRHRQJ-STHAYSLISA-N	-2	0	216.082	-2.098	10	0	in-vivo,metabolite	BAAERL
O=C([O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000003869897	342738576	/nfs/dbraw/zinc/73/85/76/342738576.db2.gz	ZCZXOHUILRHRQJ-PWNYCUMCSA-N	-3	0	216.082	-2.098	10	0	in-vivo,metabolite	BAAERL
[NH3+][C@@H](CC(=O)OP(=O)([O-])[O-])C(=O)[O-]	ZINC000003870028	571684016	/nfs/dbraw/zinc/68/40/16/571684016.db2.gz	IXZNKTPIYKDIGG-REOHCLBHSA-N	-2	0	213.082	-1.576	10	0	endogenous,in-man	BAAERL
[NH3+][C@H](CC(=O)OP(=O)([O-])[O-])C(=O)[O-]	ZINC000003870029	571683967	/nfs/dbraw/zinc/68/39/67/571683967.db2.gz	IXZNKTPIYKDIGG-UWTATZPHSA-N	-2	0	213.082	-1.576	10	0	endogenous,in-man	BAAERL
[NH3+][C@H](C(=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC000003870147	571684341	/nfs/dbraw/zinc/68/43/41/571684341.db2.gz	FKHAKIJOKDGEII-GBXIJSLDSA-N	-2	0	215.098	-2.132	10	0	endogenous,in-man	BAAERL
[NH3+][C@@H](C(=O)[O-])[C@@H](O)COP(=O)([O-])[O-]	ZINC000003870148	560190745	/nfs/dbraw/zinc/19/07/45/560190745.db2.gz	FKHAKIJOKDGEII-STHAYSLISA-N	-2	0	215.098	-2.132	10	0	in-vitro	BAAERL
[NH3+][C@@H](C(=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC000003870149	560190756	/nfs/dbraw/zinc/19/07/56/560190756.db2.gz	FKHAKIJOKDGEII-PWNYCUMCSA-N	-2	0	215.098	-2.132	10	0	in-vitro	BAAERL
O=P([O-])([O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000003870207	388388143	/nfs/dbraw/zinc/38/81/43/388388143.db2.gz	YXJDFQJKERBOBM-STGXQOJASA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=P([O-])([O-])O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000003870208	388388587	/nfs/dbraw/zinc/38/85/87/388388587.db2.gz	YXJDFQJKERBOBM-MBMOQRBOSA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000003871579	560190900	/nfs/dbraw/zinc/19/09/00/560190900.db2.gz	VJDOAZKNBQCAGE-VPENINKCSA-N	-2	0	232.125	-2.829	10	0	in-vitro	BAAERL
NC(NCCS(=O)(=O)[O-])=[NH+]P(=O)([O-])[O-]	ZINC000004096035	560193729	/nfs/dbraw/zinc/19/37/29/560193729.db2.gz	JOYGYOHHMWVUFM-UHFFFAOYSA-N	-2	0	247.169	-1.919	10	0	in-vitro	BAAERL
O=C([O-])[C@H](O)[C@@H](CO)OP(=O)([O-])[O-]	ZINC000004096089	560193818	/nfs/dbraw/zinc/19/38/18/560193818.db2.gz	CMVHVKHUWLAUNF-PWNYCUMCSA-N	-3	0	216.082	-2.098	10	0	in-vitro	BAAERL
O=P([O-])([O-])O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000004096191	560193828	/nfs/dbraw/zinc/19/38/28/560193828.db2.gz	ILXHFXFPPZGENN-KKQCNMDGSA-N	-2	0	230.109	-2.465	10	0	in-vitro	BAAERL
O=P([O-])([O-])O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O	ZINC000004096247	571685055	/nfs/dbraw/zinc/68/50/55/571685055.db2.gz	ILXHFXFPPZGENN-QMKXCQHVSA-N	-2	0	230.109	-2.465	10	0	endogenous,in-man	BAAERL
O=C([O-])C1=C[C@@H](O)[C@@H](O)C=C1C(=O)[O-]	ZINC000004096540	384039742	/nfs/dbraw/zinc/03/97/42/384039742.db2.gz	MFSRJRFDIILHFC-OLQVQODUSA-N	-2	0	200.146	-1.256	10	0	in-vitro	BAAERL
O=P([O-])([O-])O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	ZINC000004097063	560194368	/nfs/dbraw/zinc/19/43/68/560194368.db2.gz	ILXHFXFPPZGENN-KLVWXMOXSA-N	-2	0	230.109	-2.465	10	0	in-vitro	BAAERL
O=C([O-])C1=C[C@H](O)[C@@](O)(C(=O)[O-])C=C1	ZINC000004097077	560194357	/nfs/dbraw/zinc/19/43/57/560194357.db2.gz	UKFMEOHAOCKDOL-YLWLKBPMSA-N	-2	0	200.146	-1.256	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@]1(O)OC[C@H](O)[C@H]1O	ZINC000004097124	560194370	/nfs/dbraw/zinc/19/43/70/560194370.db2.gz	XALHHFQIICWKJR-LMVFSUKVSA-N	-2	0	230.109	-2.464	10	0	in-vitro,metabolite	BAAERL
O=P([O-])([O-])OC[C@@]1(O)OC[C@H](O)[C@H]1O	ZINC000004097125	560194418	/nfs/dbraw/zinc/19/44/18/560194418.db2.gz	XALHHFQIICWKJR-VPENINKCSA-N	-2	0	230.109	-2.464	10	0	in-vitro,metabolite	BAAERL
N[C@H](C(=O)[O-])C(=O)COP(=O)([O-])[O-]	ZINC000004097378	560194610	/nfs/dbraw/zinc/19/46/10/560194610.db2.gz	LMKSRFWSQAKTOE-VKHMYHEASA-N	-3	0	213.082	-1.923	10	0	in-vitro,metabolite	BAAERL
O=P([O-])([O-])OC[C@H]1O[C@@H](O)C[C@@H]1O	ZINC000004228296	571686184	/nfs/dbraw/zinc/68/61/84/571686184.db2.gz	KKZFLSZAWCYPOC-VPENINKCSA-N	-2	0	214.110	-1.436	10	0	endogenous,in-man	BAAERL
O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@@H](O)[C@H]1O	ZINC000004521830	384391151	/nfs/dbraw/zinc/39/11/51/384391151.db2.gz	KTVPXOYAKDPRHY-MGCNEYSASA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=P([O-])([O-])OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000004521832	384388940	/nfs/dbraw/zinc/38/89/40/384388940.db2.gz	KTVPXOYAKDPRHY-SKNVOMKLSA-N	-2	0	230.109	-2.465	10	0		BAAERL
NC(=O)CC[C@@H](NC[P@@](=O)([O-])O)C(=O)[O-]	ZINC000005112887	181227994	/nfs/dbraw/zinc/22/79/94/181227994.db2.gz	OMVGONALVUVEAG-SCSAIBSYSA-N	-2	0	240.152	-1.570	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000005131869	384100971	/nfs/dbraw/zinc/10/09/71/384100971.db2.gz	XYTKBMAMGDBXPU-KVTDHHQDSA-N	-2	0	244.136	-2.423	10	0		BAAERL
O=C([O-])[C@@H]1OCO[C@@H]2[C@@H](C(=O)[O-])OCO[C@H]12	ZINC000005600558	188519991	/nfs/dbraw/zinc/51/99/91/188519991.db2.gz	BMIGKNLZZFLFER-OMMKOOBNSA-N	-2	0	234.160	-1.361	10	0		BAAERL
O=C([O-])[C@@H]1OCO[C@H]2[C@H]1OCO[C@@H]2C(=O)[O-]	ZINC000005600559	346628973	/nfs/dbraw/zinc/62/89/73/346628973.db2.gz	BMIGKNLZZFLFER-GUCUJZIJSA-N	-2	0	234.160	-1.361	10	0		BAAERL
O=C([O-])CC[C@@H](C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000005828408	560203297	/nfs/dbraw/zinc/20/32/97/560203297.db2.gz	OEJZZCGRGVFWHK-NQXXGFSBSA-N	-3	0	206.150	-1.003	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H]1O	ZINC000005830456	351196532	/nfs/dbraw/zinc/19/65/32/351196532.db2.gz	KTVPXOYAKDPRHY-NRXMZTRTSA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=C([O-])[C@H]1OCCC(=O)C[C@@]1(O)C(=O)[O-]	ZINC000006361442	182744957	/nfs/dbraw/zinc/74/49/57/182744957.db2.gz	LXMDJKTXZMNUNW-XRGYYRRGSA-N	-2	0	218.161	-1.365	10	0		BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@@H](O)c1c[nH]cn1	ZINC000006691780	385133443	/nfs/dbraw/zinc/13/34/43/385133443.db2.gz	SIVIZMCKQNFBMT-JKUQZMGJSA-N	-2	0	238.136	-1.701	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@H](O)c1c[nH]cn1	ZINC000006691781	384162971	/nfs/dbraw/zinc/16/29/71/384162971.db2.gz	SIVIZMCKQNFBMT-KVQBGUIXSA-N	-2	0	238.136	-1.701	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@@H](O)c1c[nH]cn1	ZINC000006691782	385134876	/nfs/dbraw/zinc/13/48/76/385134876.db2.gz	SIVIZMCKQNFBMT-PBXRRBTRSA-N	-2	0	238.136	-1.701	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H](O)[C@H](O)c1c[nH]cn1	ZINC000006691783	384162882	/nfs/dbraw/zinc/16/28/82/384162882.db2.gz	SIVIZMCKQNFBMT-HSUXUTPPSA-N	-2	0	238.136	-1.701	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000006753390	387882180	/nfs/dbraw/zinc/88/21/80/387882180.db2.gz	XYTKBMAMGDBXPU-OMMKOOBNSA-N	-2	0	244.136	-2.423	10	0		BAAERL
O=P([O-])([O-])OC[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000006753400	387881836	/nfs/dbraw/zinc/88/18/36/387881836.db2.gz	XYTKBMAMGDBXPU-UNTFVMJOSA-N	-2	0	244.136	-2.423	10	0		BAAERL
O=P([O-])([O-])OC[C@@H]1O[C@H](O)C[C@H](O)[C@@H]1O	ZINC000006761046	384726151	/nfs/dbraw/zinc/72/61/51/384726151.db2.gz	UQJFZAAGZAYVKZ-BXKVDMCESA-N	-2	0	244.136	-2.075	10	0		BAAERL
C[C@H](O)[C@H](O)[C@H](O)C(=O)COP(=O)([O-])[O-]	ZINC000008239867	574412866	/nfs/dbraw/zinc/41/28/66/574412866.db2.gz	KNYGWWDTPGSEPD-ZXEDONINSA-N	-2	0	244.136	-2.233	10	0	endogenous,in-vitro	BAAERL
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]	ZINC000008551223	182527738	/nfs/dbraw/zinc/52/77/38/182527738.db2.gz	DSLZVSRJTYRBFB-ORZLYADOSA-N	-2	0	210.138	-3.401	10	0	endogenous,in-man	BAAERL
O=P([O-])([O-])OC[C@H](O)[C@H](O)[C@H](O)CO	ZINC000008551296	560209228	/nfs/dbraw/zinc/20/92/28/560209228.db2.gz	VJDOAZKNBQCAGE-MROZADKFSA-N	-2	0	232.125	-2.829	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000008551297	560209232	/nfs/dbraw/zinc/20/92/32/560209232.db2.gz	VJDOAZKNBQCAGE-VAYJURFESA-N	-2	0	232.125	-2.829	10	0	in-vitro	BAAERL
O=C([O-])[C@H](O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000012502991	574413029	/nfs/dbraw/zinc/41/30/29/574413029.db2.gz	HNECGPFIYSOYHF-PZGQECOJSA-N	-3	0	246.108	-2.737	10	0	endogenous,in-vitro	BAAERL
O=C([O-])[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000012502993	574413026	/nfs/dbraw/zinc/41/30/26/574413026.db2.gz	HNECGPFIYSOYHF-BXXZVTAOSA-N	-3	0	246.108	-2.737	10	0	endogenous,in-vitro	BAAERL
O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)COP(=O)([O-])[O-]	ZINC000012502995	574413046	/nfs/dbraw/zinc/41/30/46/574413046.db2.gz	HNECGPFIYSOYHF-YVZJFKFKSA-N	-3	0	246.108	-2.737	10	0	endogenous,in-vitro	BAAERL
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000012502997	574413036	/nfs/dbraw/zinc/41/30/36/574413036.db2.gz	HNECGPFIYSOYHF-FLRLBIABSA-N	-3	0	246.108	-2.737	10	0	endogenous,in-vitro	BAAERL
O=P([O-])([O-])OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O	ZINC000012504153	386405614	/nfs/dbraw/zinc/40/56/14/386405614.db2.gz	KTVPXOYAKDPRHY-QTBDOELSSA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@@H](C(=O)[O-])O1	ZINC000013432662	571701280	/nfs/dbraw/zinc/70/12/80/571701280.db2.gz	KUKCUROTFRBUNU-GMSGWIQWSA-N	-2	0	204.134	-1.840	10	0	endogenous,in-man	BAAERL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013440679	384842601	/nfs/dbraw/zinc/84/26/01/384842601.db2.gz	QANVOLPERNMINB-NJGYIYPDSA-N	-2	0	246.219	-1.445	10	0		BAAERL
O=P([O-])([O-])O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O	ZINC000013491812	384361453	/nfs/dbraw/zinc/36/14/53/384361453.db2.gz	ILXHFXFPPZGENN-LECHCGJUSA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=P([O-])([O-])O[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O	ZINC000013491813	387476492	/nfs/dbraw/zinc/47/64/92/387476492.db2.gz	VRFAWQKWVNQYPE-YCAKELIYSA-N	-2	0	216.082	-2.508	10	0		BAAERL
O=C([O-])CC[C@H](C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000013507226	560217640	/nfs/dbraw/zinc/21/76/40/560217640.db2.gz	OEJZZCGRGVFWHK-UCORVYFPSA-N	-3	0	206.150	-1.003	10	0	in-vitro	BAAERL
C[C@@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013508240	362491291	/nfs/dbraw/zinc/49/12/91/362491291.db2.gz	PTVXQARCLQPGIR-BYIBVSMXSA-N	-2	0	244.136	-2.077	10	0		BAAERL
C[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013508242	362491090	/nfs/dbraw/zinc/49/10/90/362491090.db2.gz	PTVXQARCLQPGIR-RWOPYEJCSA-N	-2	0	244.136	-2.077	10	0		BAAERL
C[C@H](O)[C@H](O)[C@@H](O)C(=O)COP(=O)([O-])[O-]	ZINC000013508310	574413301	/nfs/dbraw/zinc/41/33/01/574413301.db2.gz	KNYGWWDTPGSEPD-FUTKDDECSA-N	-2	0	244.136	-2.233	10	0	endogenous,in-vitro	BAAERL
NC(NCCC(=O)[O-])=[NH+]P(=O)([O-])[O-]	ZINC000013515638	181198358	/nfs/dbraw/zinc/19/83/58/181198358.db2.gz	IBHKHIXWUNCDFV-UHFFFAOYSA-N	-2	0	211.114	-1.332	10	0		BAAERL
O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000013518859	343518987	/nfs/dbraw/zinc/51/89/87/343518987.db2.gz	YXJDFQJKERBOBM-MGCNEYSASA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	ZINC000013544339	560219465	/nfs/dbraw/zinc/21/94/65/560219465.db2.gz	KAJAXXUCVJFKFM-SLPGGIOYSA-N	-2	0	244.136	-2.423	10	0	in-vitro	BAAERL
NC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000013580533	181278519	/nfs/dbraw/zinc/27/85/19/181278519.db2.gz	NMPLXCYYTOIGAX-PWNYCUMCSA-N	-2	0	215.098	-2.697	10	0		BAAERL
O=C([O-])C[C@H](C[C@]1(O)CNC1=O)C(=O)[O-]	ZINC000013731365	182482298	/nfs/dbraw/zinc/48/22/98/182482298.db2.gz	CKMFSDRJXOLMOV-VHWMUFPASA-N	-2	0	217.177	-1.587	10	0		BAAERL
[NH3+][C@@H](C(=O)[O-])C1[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000014951095	181534718	/nfs/dbraw/zinc/53/47/18/181534718.db2.gz	MATPZHBYOVDBLI-BXXZVTAOSA-N	-2	0	203.150	-1.570	10	0		BAAERL
O=C([O-])C1=C[C@H](O)[C@@H](O)[C@H](C(=O)[O-])O1	ZINC000014957323	571729122	/nfs/dbraw/zinc/72/91/22/571729122.db2.gz	KUKCUROTFRBUNU-PGIPBFRLSA-N	-2	0	204.134	-1.840	10	0	endogenous,in-man	BAAERL
O=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](C(=O)[O-])O1	ZINC000014957330	571729154	/nfs/dbraw/zinc/72/91/54/571729154.db2.gz	KUKCUROTFRBUNU-RMXLIXJLSA-N	-2	0	204.134	-1.840	10	0	endogenous,in-man	BAAERL
NC(NCC[S@@](=O)[O-])=[NH+]P(=O)([O-])[O-]	ZINC000015265482	560229947	/nfs/dbraw/zinc/22/99/47/560229947.db2.gz	ZGZSALVJNJADDS-UHFFFAOYSA-N	-2	0	231.170	-1.585	10	0	in-vitro	BAAERL
O=C([O-])C[NH2+]CCN(CC(=O)[O-])CC(=O)[O-]	ZINC000022028872	387363766	/nfs/dbraw/zinc/36/37/66/387363766.db2.gz	OUDSFQBUEBFSPS-UHFFFAOYSA-N	-2	0	234.208	-1.868	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000022049133	384726932	/nfs/dbraw/zinc/72/69/32/384726932.db2.gz	XYTKBMAMGDBXPU-SLPGGIOYSA-N	-2	0	244.136	-2.423	10	0		BAAERL
NC(=O)N[C@@H](C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000026393660	181261028	/nfs/dbraw/zinc/26/10/28/181261028.db2.gz	IGSUMCCRHYRNTH-REOHCLBHSA-N	-2	0	212.098	-1.714	10	0		BAAERL
NC(=O)N[C@H](C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000026393664	181261982	/nfs/dbraw/zinc/26/19/82/181261982.db2.gz	IGSUMCCRHYRNTH-UWTATZPHSA-N	-2	0	212.098	-1.714	10	0		BAAERL
O=C([O-])C1(C(=O)[O-])CC2(C1)NC(=O)NC2=O	ZINC000026441795	527554070	/nfs/dbraw/zinc/55/40/70/527554070.db2.gz	PZPSJSUZQPHURY-UHFFFAOYSA-N	-2	0	228.160	-1.486	10	0		BAAERL
[NH3+][C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]	ZINC000027110232	181605816	/nfs/dbraw/zinc/60/58/16/181605816.db2.gz	WRMHNMFAKPXIAY-CVYQJGLWSA-N	-2	0	207.138	-2.311	10	0		BAAERL
O=C([O-])C[C@H]1[C@H](C(=O)[O-])[NH2+]C[C@H]1C(=O)[O-]	ZINC000028225587	182480645	/nfs/dbraw/zinc/48/06/45/182480645.db2.gz	CKMJNFYVYFGMRP-ZMIZWQJLSA-N	-2	0	217.177	-1.166	10	0		BAAERL
NC(=O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000028393036	181266385	/nfs/dbraw/zinc/26/63/85/181266385.db2.gz	NMPLXCYYTOIGAX-GBXIJSLDSA-N	-2	0	215.098	-2.697	10	0		BAAERL
CC(=O)[C@@H](O)[C@H](O)C(=O)COP(=O)([O-])[O-]	ZINC000030731571	574414002	/nfs/dbraw/zinc/41/40/02/574414002.db2.gz	XBUYIELOLLPBOC-PHDIDXHHSA-N	-2	0	242.120	-2.024	10	0	endogenous,in-vitro	BAAERL
O=C(COP(=O)([O-])[O-])[C@@H](O)[C@H](O)CO	ZINC000031259596	182000373	/nfs/dbraw/zinc/00/03/73/182000373.db2.gz	NBOCCPQHBPGYCX-WUJLRWPWSA-N	-2	0	230.109	-2.621	10	0	in-vitro,metabolite	BAAERL
O=C(COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)CO	ZINC000031259600	182000351	/nfs/dbraw/zinc/00/03/51/182000351.db2.gz	NBOCCPQHBPGYCX-UCORVYFPSA-N	-2	0	230.109	-2.621	10	0	in-vitro,metabolite	BAAERL
O=C([O-])C[NH2+]CCCN(CC(=O)[O-])CC(=O)[O-]	ZINC000034185315	345818806	/nfs/dbraw/zinc/81/88/06/345818806.db2.gz	RMUGHYFYHCCULM-UHFFFAOYSA-N	-2	0	248.235	-1.478	10	0		BAAERL
[NH3+][C@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000034191109	571749804	/nfs/dbraw/zinc/74/98/04/571749804.db2.gz	DWBZEJHQQIURML-DMTCNVIQSA-N	-2	0	220.181	-2.650	10	0	endogenous,in-man	BAAERL
[NH3+][C@@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000034191111	571749760	/nfs/dbraw/zinc/74/97/60/571749760.db2.gz	DWBZEJHQQIURML-IUYQGCFVSA-N	-2	0	220.181	-2.650	10	0	endogenous,in-man	BAAERL
[NH3+][C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-]	ZINC000034191113	571749896	/nfs/dbraw/zinc/74/98/96/571749896.db2.gz	DWBZEJHQQIURML-QWWZWVQMSA-N	-2	0	220.181	-2.650	10	0	endogenous,in-man	BAAERL
O=P([O-])([O-])OC[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000034434903	346282592	/nfs/dbraw/zinc/28/25/92/346282592.db2.gz	XYTKBMAMGDBXPU-ARQDHWQXSA-N	-2	0	244.136	-2.423	10	0		BAAERL
O=C([O-])CC[C@H]([NH2+]CC(=O)[O-])C(=O)[O-]	ZINC000034498296	182452284	/nfs/dbraw/zinc/45/22/84/182452284.db2.gz	YITYVXUAFSMRJI-BYPYZUCNSA-N	-2	0	205.166	-1.021	10	0		BAAERL
O=C([O-])CC[C@@H]([NH2+]CC(=O)[O-])C(=O)[O-]	ZINC000034498297	182450613	/nfs/dbraw/zinc/45/06/13/182450613.db2.gz	YITYVXUAFSMRJI-SCSAIBSYSA-N	-2	0	205.166	-1.021	10	0		BAAERL
C[C@H]1O[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000034605163	347230789	/nfs/dbraw/zinc/23/07/89/347230789.db2.gz	PTVXQARCLQPGIR-DVKNGEFBSA-N	-2	0	244.136	-2.077	10	0		BAAERL
C[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000034605164	347230905	/nfs/dbraw/zinc/23/09/05/347230905.db2.gz	PTVXQARCLQPGIR-VFUOTHLCSA-N	-2	0	244.136	-2.077	10	0		BAAERL
O=C([O-])CNC(=O)CC(=O)NCC(=O)[O-]	ZINC000034764814	398343486	/nfs/dbraw/zinc/34/34/86/398343486.db2.gz	UIDDUAFEZLMYMF-UHFFFAOYSA-N	-2	0	218.165	-2.222	10	0		BAAERL
O=C([O-])[C@H]1CCCN(c2n[nH]c(=O)[n-]c2=O)C1	ZINC000035250832	132337995	/nfs/dbraw/zinc/33/79/95/132337995.db2.gz	XSGOQAHMAGIKAR-YFKPBYRVSA-N	-2	0	240.219	-1.241	10	0		BAAERL
O=C([O-])[C@@H]1CCCN(c2n[nH]c(=O)[n-]c2=O)C1	ZINC000035250834	132337903	/nfs/dbraw/zinc/33/79/03/132337903.db2.gz	XSGOQAHMAGIKAR-RXMQYKEDSA-N	-2	0	240.219	-1.241	10	0		BAAERL
C[C@H](O)C(=O)NCCOP(=O)([O-])[O-]	ZINC000035784755	571753224	/nfs/dbraw/zinc/75/32/24/571753224.db2.gz	CKXSSEHWXMVQRZ-BYPYZUCNSA-N	-2	0	213.126	-1.407	10	0	endogenous,in-man	BAAERL
C[C@@H](O)C(=O)NCCOP(=O)([O-])[O-]	ZINC000035784759	571753130	/nfs/dbraw/zinc/75/31/30/571753130.db2.gz	CKXSSEHWXMVQRZ-SCSAIBSYSA-N	-2	0	213.126	-1.407	10	0	endogenous,in-man	BAAERL
CC(=O)N[C@@H](CC(=O)[O-])C(=O)NCC(=O)[O-]	ZINC000036489146	187931750	/nfs/dbraw/zinc/93/17/50/187931750.db2.gz	FFAUHQNBUNRBPC-YFKPBYRVSA-N	-2	0	232.192	-1.833	10	0		BAAERL
C[C@@H](CC(=O)[O-])Nc1n[nH]c(=O)[n-]c1=O	ZINC000036867597	175645185	/nfs/dbraw/zinc/64/51/85/175645185.db2.gz	CERNRKNOKJJWCW-VKHMYHEASA-N	-2	0	214.181	-1.267	10	0		BAAERL
C[C@H](CC(=O)[O-])Nc1n[nH]c(=O)[n-]c1=O	ZINC000036867598	176603185	/nfs/dbraw/zinc/60/31/85/176603185.db2.gz	CERNRKNOKJJWCW-GSVOUGTGSA-N	-2	0	214.181	-1.267	10	0		BAAERL
C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)C(=O)[O-]	ZINC000036973663	175834601	/nfs/dbraw/zinc/83/46/01/175834601.db2.gz	IDBMNGIFWCTCBC-RXMQYKEDSA-N	-2	0	241.203	-1.462	10	0		BAAERL
CN(CC(=O)[O-])C(=O)Cn1[n-]c(=O)ccc1=O	ZINC000037438141	172613040	/nfs/dbraw/zinc/61/30/40/172613040.db2.gz	KTPNHUNECFXQCL-UHFFFAOYSA-N	-2	0	241.203	-1.508	10	0		BAAERL
CC(C)N(CC(=O)[O-])c1n[nH]c(=O)[n-]c1=O	ZINC000037994654	188109404	/nfs/dbraw/zinc/10/94/04/188109404.db2.gz	XYOOZCWJGLTIAO-UHFFFAOYSA-N	-2	0	228.208	-1.242	10	0		BAAERL
CCCN(CC(=O)[O-])c1n[nH]c(=O)[n-]c1=O	ZINC000038021124	169098629	/nfs/dbraw/zinc/09/86/29/169098629.db2.gz	ZPZCAQMITRHBKG-UHFFFAOYSA-N	-2	0	228.208	-1.241	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000039042752	386144881	/nfs/dbraw/zinc/14/48/81/386144881.db2.gz	XYTKBMAMGDBXPU-BGPJRJDNSA-N	-2	0	244.136	-2.423	10	0	in-vitro	BAAERL
[NH3+]C1(C(=O)[O-])CC(C(=O)[O-])(C(=O)[O-])C1	ZINC000039085259	181329177	/nfs/dbraw/zinc/32/91/77/181329177.db2.gz	WINNSZGETYTYAM-UHFFFAOYSA-N	-2	0	203.150	-1.282	10	0		BAAERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)C=CC1=O	ZINC000039097359	384102738	/nfs/dbraw/zinc/10/27/38/384102738.db2.gz	XQAAZZNKYRVHBH-BYPYZUCNSA-N	-2	0	213.145	-1.161	10	0		BAAERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)C=CC1=O	ZINC000039097360	182482175	/nfs/dbraw/zinc/48/21/75/182482175.db2.gz	XQAAZZNKYRVHBH-SCSAIBSYSA-N	-2	0	213.145	-1.161	10	0		BAAERL
[N-](c1nn[nH]n1)c1nnc([N-]c2nn[nH]n2)nn1	ZINC000039368901	188478821	/nfs/dbraw/zinc/47/88/21/188478821.db2.gz	UDJIUFKEBRBYGX-UHFFFAOYSA-N	-2	0	248.174	-2.220	10	0		BAAERL
NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000040439643	181245012	/nfs/dbraw/zinc/24/50/12/181245012.db2.gz	HZYFHQOWCFUSOV-IMJSIDKUSA-N	-2	0	247.207	-2.767	10	0	endogenous,in-man	BAAERL
[NH3+][C@@H](C[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000040919183	187290455	/nfs/dbraw/zinc/29/04/55/187290455.db2.gz	QUHCPZVRCOASQB-IMJSIDKUSA-N	-2	0	205.166	-1.036	10	0		BAAERL
NC(=O)CC[C@@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000040977085	181226854	/nfs/dbraw/zinc/22/68/54/181226854.db2.gz	QSNLSTXLXNRAGB-BYPYZUCNSA-N	-2	0	217.177	-1.004	10	0		BAAERL
NC(=O)CC[C@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000040977087	181228095	/nfs/dbraw/zinc/22/80/95/181228095.db2.gz	QSNLSTXLXNRAGB-SCSAIBSYSA-N	-2	0	217.177	-1.004	10	0		BAAERL
O=C([O-])c1nc([O-])c(=O)[nH]c1C(=O)[O-]	ZINC000044224681	187433843	/nfs/dbraw/zinc/43/38/43/187433843.db2.gz	DMLFHVBDXPESMX-UHFFFAOYSA-N	-3	0	200.106	-1.128	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O	ZINC000044699073	385875434	/nfs/dbraw/zinc/87/54/34/385875434.db2.gz	XYTKBMAMGDBXPU-FSIIMWSLSA-N	-2	0	244.136	-2.423	10	0	in-vitro	BAAERL
O=C([O-])CCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000045352293	574414844	/nfs/dbraw/zinc/41/48/44/574414844.db2.gz	YTMGDVQAVPGKLG-BYPYZUCNSA-N	-3	0	233.176	-1.105	10	0	endogenous,in-vitro	BAAERL
NC(=O)CC[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000045929508	574414849	/nfs/dbraw/zinc/41/48/49/574414849.db2.gz	RLYZAJHMBJUMAP-YFKPBYRVSA-N	-2	0	246.219	-1.314	10	0	endogenous,in-vitro	BAAERL
NC(=O)CC[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000045929510	574414851	/nfs/dbraw/zinc/41/48/51/574414851.db2.gz	RLYZAJHMBJUMAP-RXMQYKEDSA-N	-2	0	246.219	-1.314	10	0	endogenous,in-vitro	BAAERL
COCCN(CC(=O)[O-])c1n[nH]c(=O)[n-]c1=O	ZINC000049607027	174286586	/nfs/dbraw/zinc/28/65/86/174286586.db2.gz	CJNKEYCCFKGPHK-UHFFFAOYSA-N	-2	0	244.207	-2.004	10	0		BAAERL
NC(=O)C[C@H](N)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027130	181244665	/nfs/dbraw/zinc/24/46/65/181244665.db2.gz	HZYFHQOWCFUSOV-IUYQGCFVSA-N	-2	0	247.207	-2.767	10	0	endogenous,in-man	BAAERL
NC(=O)C[C@@H](N)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027744	181242032	/nfs/dbraw/zinc/24/20/32/181242032.db2.gz	HZYFHQOWCFUSOV-DMTCNVIQSA-N	-2	0	247.207	-2.767	10	0	endogenous,in-man	BAAERL
NC(=O)C[C@@H](N)C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027753	181241168	/nfs/dbraw/zinc/24/11/68/181241168.db2.gz	HZYFHQOWCFUSOV-QWWZWVQMSA-N	-2	0	247.207	-2.767	10	0	endogenous,in-man	BAAERL
C[C@@H](C(=O)[O-])N(C)c1n[nH]c(=O)[n-]c1=O	ZINC000054054473	388010627	/nfs/dbraw/zinc/01/06/27/388010627.db2.gz	GYRHXBBTBNOBLX-VKHMYHEASA-N	-2	0	214.181	-1.633	10	0		BAAERL
C[C@H](C(=O)[O-])N(C)c1n[nH]c(=O)[n-]c1=O	ZINC000054054474	388011142	/nfs/dbraw/zinc/01/11/42/388011142.db2.gz	GYRHXBBTBNOBLX-GSVOUGTGSA-N	-2	0	214.181	-1.633	10	0		BAAERL
C[C@@H](CNc1n[nH]c(=O)[n-]c1=O)C(=O)[O-]	ZINC000054334331	384913117	/nfs/dbraw/zinc/91/31/17/384913117.db2.gz	HBWKARDIGMYWCJ-VKHMYHEASA-N	-2	0	214.181	-1.409	10	0		BAAERL
C[C@H](CNc1n[nH]c(=O)[n-]c1=O)C(=O)[O-]	ZINC000054334332	384912691	/nfs/dbraw/zinc/91/26/91/384912691.db2.gz	HBWKARDIGMYWCJ-GSVOUGTGSA-N	-2	0	214.181	-1.409	10	0		BAAERL
O=C([O-])[C@H](Nc1n[nH]c(=O)[n-]c1=O)C1CC1	ZINC000054505769	182527925	/nfs/dbraw/zinc/52/79/25/182527925.db2.gz	PALSUAFWOQRDID-SCSAIBSYSA-N	-2	0	226.192	-1.267	10	0		BAAERL
O=C([O-])[C@@H](NC(=O)NCc1nnn[n-]1)C1CC1	ZINC000054525627	182275558	/nfs/dbraw/zinc/27/55/58/182275558.db2.gz	OZNCCLPIFUOBSX-LURJTMIESA-N	-2	0	240.223	-1.138	10	0		BAAERL
O=C([O-])[C@H](NC(=O)NCc1nnn[n-]1)C1CC1	ZINC000054525628	182276011	/nfs/dbraw/zinc/27/60/11/182276011.db2.gz	OZNCCLPIFUOBSX-ZCFIWIBFSA-N	-2	0	240.223	-1.138	10	0		BAAERL
CS(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000057905422	175432062	/nfs/dbraw/zinc/43/20/62/175432062.db2.gz	WITPWJNAVYJIOP-GSVOUGTGSA-N	-2	0	211.195	-1.537	10	0		BAAERL
O=P([O-])([O-])O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000059582462	372199973	/nfs/dbraw/zinc/19/99/73/372199973.db2.gz	ILXHFXFPPZGENN-AIHAYLRMSA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=P([O-])([O-])O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000059582466	372199695	/nfs/dbraw/zinc/19/96/95/372199695.db2.gz	ILXHFXFPPZGENN-TXICZTDVSA-N	-2	0	230.109	-2.465	10	0		BAAERL
O=C([O-])CN(CC(=O)[O-])[C@@H](CO)C(=O)[O-]	ZINC000059726618	182460396	/nfs/dbraw/zinc/46/03/96/182460396.db2.gz	HYYXZCHMGNWJQL-BYPYZUCNSA-N	-3	0	221.165	-2.097	10	0		BAAERL
O=C([O-])[C@H]1CCN(c2n[nH]c(=O)[n-]c2=O)C1	ZINC000062132886	182538600	/nfs/dbraw/zinc/53/86/00/182538600.db2.gz	IBTMFJYXADQUIQ-BYPYZUCNSA-N	-2	0	226.192	-1.631	10	0		BAAERL
O=C([O-])C[C@@]1(O)C(=O)OC[C@H]1C(=O)[O-]	ZINC000062720856	182482167	/nfs/dbraw/zinc/48/21/67/182482167.db2.gz	AZEDQAOANKKCRZ-NOWQDGDBSA-N	-2	0	204.134	-1.550	10	0		BAAERL
NC(=O)C[C@@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069488557	574416415	/nfs/dbraw/zinc/41/64/15/574416415.db2.gz	RKFUKWHHLDJOOL-SCSAIBSYSA-N	-2	0	232.192	-1.704	10	0	endogenous,in-vitro	BAAERL
NC(=O)C[C@H](NC(=O)CCC(=O)[O-])C(=O)[O-]	ZINC000069488560	574416420	/nfs/dbraw/zinc/41/64/20/574416420.db2.gz	RKFUKWHHLDJOOL-BYPYZUCNSA-N	-2	0	232.192	-1.704	10	0	endogenous,in-vitro	BAAERL
O=C([O-])CCC(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000069488562	574416426	/nfs/dbraw/zinc/41/64/26/574416426.db2.gz	YTMGDVQAVPGKLG-SCSAIBSYSA-N	-3	0	233.176	-1.105	10	0	endogenous,in-vitro	BAAERL
O=C([O-])CCC(=O)N[C@H](CO)C(=O)[O-]	ZINC000069488569	574416414	/nfs/dbraw/zinc/41/64/14/574416414.db2.gz	APLLXBUUNCLPCL-SCSAIBSYSA-N	-2	0	205.166	-1.587	10	0	endogenous,in-vitro	BAAERL
O=C([O-])CCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000069488572	574416416	/nfs/dbraw/zinc/41/64/16/574416416.db2.gz	APLLXBUUNCLPCL-BYPYZUCNSA-N	-2	0	205.166	-1.587	10	0	endogenous,in-vitro	BAAERL
O=C([O-])C1CN(c2n[nH]c(=O)[n-]c2=O)C1	ZINC000070569461	361564482	/nfs/dbraw/zinc/56/44/82/361564482.db2.gz	NHNMSSUFQLDTBX-UHFFFAOYSA-N	-2	0	212.165	-2.021	10	0		BAAERL
C[C@@](O)(Cn1[n-]c(=O)ccc1=O)C(=O)[O-]	ZINC000070713748	374181340	/nfs/dbraw/zinc/18/13/40/374181340.db2.gz	VEZUMURWDHTDDG-MRVPVSSYSA-N	-2	0	214.177	-1.628	10	0		BAAERL
C[C@](O)(Cn1[n-]c(=O)ccc1=O)C(=O)[O-]	ZINC000070713749	374182353	/nfs/dbraw/zinc/18/23/53/374182353.db2.gz	VEZUMURWDHTDDG-QMMMGPOBSA-N	-2	0	214.177	-1.628	10	0		BAAERL
O=C([O-])CC[C@@H](C(=O)[O-])N1C(=O)CNC1=O	ZINC000071754176	574416579	/nfs/dbraw/zinc/41/65/79/574416579.db2.gz	WZZAOCJOMVYNIL-BYPYZUCNSA-N	-2	0	230.176	-1.144	10	0	endogenous,in-vitro	BAAERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)CNC1=O	ZINC000071754178	574416568	/nfs/dbraw/zinc/41/65/68/574416568.db2.gz	KCBRFZUDESHFBY-VKHMYHEASA-N	-2	0	216.149	-1.534	10	0	endogenous,in-vitro	BAAERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)CNC1=O	ZINC000071754191	574416587	/nfs/dbraw/zinc/41/65/87/574416587.db2.gz	WZZAOCJOMVYNIL-SCSAIBSYSA-N	-2	0	230.176	-1.144	10	0	endogenous,in-vitro	BAAERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)CNC1=O	ZINC000071754192	574416591	/nfs/dbraw/zinc/41/65/91/574416591.db2.gz	KCBRFZUDESHFBY-GSVOUGTGSA-N	-2	0	216.149	-1.534	10	0	endogenous,in-vitro	BAAERL
CC(=O)O[C@@](C(C)=O)(C(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC000071791661	187276890	/nfs/dbraw/zinc/27/68/90/187276890.db2.gz	BAMUAAIPBLVVHU-YLWLKBPMSA-N	-2	0	234.160	-1.593	10	0		BAAERL
CC(=O)O[C@](C(C)=O)(C(=O)[O-])[C@H](O)C(=O)[O-]	ZINC000071791662	187277013	/nfs/dbraw/zinc/27/70/13/187277013.db2.gz	BAMUAAIPBLVVHU-XRGYYRRGSA-N	-2	0	234.160	-1.593	10	0		BAAERL
Nc1[nH]c2nc(=O)[n-]c(=O)c-2cc1C(=O)[O-]	ZINC000072416807	384122486	/nfs/dbraw/zinc/12/24/86/384122486.db2.gz	BIPLLLBCNGHMTG-UHFFFAOYSA-N	-2	0	222.160	-1.108	10	0		BAAERL
O=C([O-])[C@@H]1CS(=O)(=O)C[C@@H]1C(=O)[O-]	ZINC000075615425	537928021	/nfs/dbraw/zinc/92/80/21/537928021.db2.gz	KSMXQLNWIKPAFA-ZXZARUISSA-N	-2	0	208.191	-1.184	10	0		BAAERL
COC(=O)c1[n-]c(=O)c(=O)[nH]c1C(=O)[O-]	ZINC000091301685	384114107	/nfs/dbraw/zinc/11/41/07/384114107.db2.gz	LFVPZBZDMCGSQX-UHFFFAOYSA-N	-2	0	214.133	-1.452	10	0		BAAERL
[NH3+][C@@]1(C(=O)[O-])C[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])C1	ZINC000100053590	384283313	/nfs/dbraw/zinc/28/33/13/384283313.db2.gz	FERIKTBTNCSGJS-OCDMWJSJSA-N	-2	0	217.177	-1.036	10	0	in-vitro	BAAERL
O=C([O-])[C@H]1[C@@H](C(=O)[O-])O[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000100413876	188158141	/nfs/dbraw/zinc/15/81/41/188158141.db2.gz	UFOIOXZLTXNHQH-YCAKELIYSA-N	-4	0	248.143	-1.675	10	0		BAAERL
O=C([O-])[C@@H]1O[C@@H](C(=O)[O-])[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000100413878	384323116	/nfs/dbraw/zinc/32/31/16/384323116.db2.gz	UFOIOXZLTXNHQH-GJPGBQJBSA-N	-4	0	248.143	-1.675	10	0		BAAERL
O=C(CO)[C@@H](O)COP(=O)([O-])[O-]	ZINC000100897690	571842574	/nfs/dbraw/zinc/84/25/74/571842574.db2.gz	WUVPHPUDYOVMOE-BYPYZUCNSA-N	-2	0	200.083	-1.982	10	0	endogenous,in-vitro	BAAERL
O=C(CO)[C@H](O)COP(=O)([O-])[O-]	ZINC000100897693	571842567	/nfs/dbraw/zinc/84/25/67/571842567.db2.gz	WUVPHPUDYOVMOE-SCSAIBSYSA-N	-2	0	200.083	-1.982	10	0	endogenous,in-vitro	BAAERL
[NH3+][C@H](C(=O)[O-])[C@@H]1[C@@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000101133752	181607828	/nfs/dbraw/zinc/60/78/28/181607828.db2.gz	MATPZHBYOVDBLI-QDQPNEQZSA-N	-2	0	203.150	-1.570	10	0	in-vitro	BAAERL
O=P([O-])([O-])OC[C@H](O)[C@H](O)c1c[nH]cn1	ZINC000101253053	368338898	/nfs/dbraw/zinc/33/88/98/368338898.db2.gz	SIVIZMCKQNFBMT-NGJCXOISSA-N	-2	0	238.136	-1.701	10	0		BAAERL
O=P([O-])([O-])OC[C@H](O)[C@@H](O)c1c[nH]cn1	ZINC000101253057	368338500	/nfs/dbraw/zinc/33/85/00/368338500.db2.gz	SIVIZMCKQNFBMT-SRQIZXRXSA-N	-2	0	238.136	-1.701	10	0		BAAERL
C[C@@H]1CN(c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C(=O)[O-]	ZINC000104202827	176321068	/nfs/dbraw/zinc/32/10/68/176321068.db2.gz	VLQITAZSGUSKBY-UHNVWZDZSA-N	-2	0	240.219	-1.385	10	0		BAAERL
C[C@H]1CN(c2n[nH]c(=O)[n-]c2=O)C[C@@H]1C(=O)[O-]	ZINC000104202830	177277901	/nfs/dbraw/zinc/27/79/01/177277901.db2.gz	VLQITAZSGUSKBY-WHFBIAKZSA-N	-2	0	240.219	-1.385	10	0		BAAERL
O=C([O-])CN(CC(=O)[O-])C(=O)Cn1cncn1	ZINC000104328921	182458750	/nfs/dbraw/zinc/45/87/50/182458750.db2.gz	KSJSYMDBAXAMJH-UHFFFAOYSA-N	-2	0	242.191	-1.724	10	0		BAAERL
CC(=O)N[C@@H](C)C(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104330060	187292100	/nfs/dbraw/zinc/29/21/00/187292100.db2.gz	KZVUCIDEWOWMEQ-YFKPBYRVSA-N	-2	0	246.219	-1.491	10	0		BAAERL
O=C([O-])CN(CC(=O)[O-])C(=O)N1CCOCC1	ZINC000104335397	388582591	/nfs/dbraw/zinc/58/25/91/388582591.db2.gz	JNHJKFZDQQQBJM-UHFFFAOYSA-N	-2	0	246.219	-1.090	10	0		BAAERL
COC(=O)CNC(=O)N(CC(=O)[O-])CC(=O)[O-]	ZINC000104338958	173600016	/nfs/dbraw/zinc/60/00/16/173600016.db2.gz	AMBWFTQDERBOKX-UHFFFAOYSA-N	-2	0	248.191	-1.660	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000106381243	362925955	/nfs/dbraw/zinc/92/59/55/362925955.db2.gz	XYTKBMAMGDBXPU-ZXXMMSQZSA-N	-2	0	244.136	-2.423	10	0		BAAERL
C[C@@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000106383003	369110049	/nfs/dbraw/zinc/11/00/49/369110049.db2.gz	PTVXQARCLQPGIR-DSOBHZJASA-N	-2	0	244.136	-2.077	10	0		BAAERL
[NH3+][C@@H](C[C@@H](O)[P@@](=O)([O-])O)P(=O)([O-])[O-]	ZINC000116278088	368343076	/nfs/dbraw/zinc/34/30/76/368343076.db2.gz	BMTXDXRSICZIMK-GBXIJSLDSA-N	-2	0	235.069	-1.665	10	0		BAAERL
[NH3+][C@H](C[C@@H](O)[P@@](=O)([O-])O)P(=O)([O-])[O-]	ZINC000116278091	368343688	/nfs/dbraw/zinc/34/36/88/368343688.db2.gz	BMTXDXRSICZIMK-HRFVKAFMSA-N	-2	0	235.069	-1.665	10	0		BAAERL
[NH3+][C@@H](C[C@H](O)[P@@](=O)([O-])O)P(=O)([O-])[O-]	ZINC000116278093	368343652	/nfs/dbraw/zinc/34/36/52/368343652.db2.gz	BMTXDXRSICZIMK-PWNYCUMCSA-N	-2	0	235.069	-1.665	10	0		BAAERL
[NH3+][C@H](C[C@H](O)[P@@](=O)([O-])O)P(=O)([O-])[O-]	ZINC000116278094	368342640	/nfs/dbraw/zinc/34/26/40/368342640.db2.gz	BMTXDXRSICZIMK-STHAYSLISA-N	-2	0	235.069	-1.665	10	0		BAAERL
[NH3+][C@@H](CC(=O)[O-])C(=O)OC(C(=O)[O-])C(=O)[O-]	ZINC000117717219	368345176	/nfs/dbraw/zinc/34/51/76/368345176.db2.gz	HDSUYALFVMWVSR-REOHCLBHSA-N	-2	0	235.148	-2.131	10	0		BAAERL
Cn1nnc([N-]S(=O)(=O)CC(=O)[O-])n1	ZINC000127095724	342845313	/nfs/dbraw/zinc/84/53/13/342845313.db2.gz	FOKIHXAHJLPHSY-UHFFFAOYSA-N	-2	0	221.198	-1.964	10	0		BAAERL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]c1nnn(C)n1	ZINC000127096473	342844593	/nfs/dbraw/zinc/84/45/93/342844593.db2.gz	LKCWMZHRKNZTRU-VKHMYHEASA-N	-2	0	235.225	-1.575	10	0		BAAERL
C[C@H](C(=O)[O-])S(=O)(=O)[N-]c1nnn(C)n1	ZINC000127096682	342844666	/nfs/dbraw/zinc/84/46/66/342844666.db2.gz	LKCWMZHRKNZTRU-GSVOUGTGSA-N	-2	0	235.225	-1.575	10	0		BAAERL
Cn1ncnc1[N-]S(=O)(=O)CC(=O)[O-]	ZINC000127114782	342914795	/nfs/dbraw/zinc/91/47/95/342914795.db2.gz	SNBOXRKABGUSDS-UHFFFAOYSA-N	-2	0	220.210	-1.359	10	0		BAAERL
Cc1n[nH]c([N-]S(=O)(=O)CC(=O)[O-])n1	ZINC000127132669	343241447	/nfs/dbraw/zinc/24/14/47/343241447.db2.gz	FPAINAXQLXYTQZ-UHFFFAOYSA-N	-2	0	220.210	-1.061	10	0		BAAERL
O=C([O-])CS(=O)(=O)[N-]c1nccnn1	ZINC000160015886	346438737	/nfs/dbraw/zinc/43/87/37/346438737.db2.gz	BFWHHEDRPRGUAU-UHFFFAOYSA-N	-2	0	218.194	-1.302	10	0		BAAERL
O=C([O-])C[C@H](NC(=O)N1CCOCC1)C(=O)[O-]	ZINC000164253683	326411341	/nfs/dbraw/zinc/41/13/41/326411341.db2.gz	CDXJRYLHMGMQHE-LURJTMIESA-N	-2	0	246.219	-1.044	10	0		BAAERL
O=C([O-])C[C@@H](NC(=O)N1CCOCC1)C(=O)[O-]	ZINC000164253800	326411428	/nfs/dbraw/zinc/41/14/28/326411428.db2.gz	CDXJRYLHMGMQHE-ZCFIWIBFSA-N	-2	0	246.219	-1.044	10	0		BAAERL
CC(=O)N[C@@H](C[S@@](=O)CC(=O)[O-])C(=O)[O-]	ZINC000196247884	343629766	/nfs/dbraw/zinc/62/97/66/343629766.db2.gz	OKQHJRZSANGBRM-AANKLQPISA-N	-2	0	237.233	-1.591	10	0		BAAERL
CC(=O)N[C@@H](C[S@](=O)CC(=O)[O-])C(=O)[O-]	ZINC000196247898	347843892	/nfs/dbraw/zinc/84/38/92/347843892.db2.gz	OKQHJRZSANGBRM-SPHRHWQCSA-N	-2	0	237.233	-1.591	10	0		BAAERL
O=C([O-])CC[C@H](NC(=O)CCO)C(=O)[O-]	ZINC000196298831	182452179	/nfs/dbraw/zinc/45/21/79/182452179.db2.gz	YAGDKAUDDVUJJZ-YFKPBYRVSA-N	-2	0	219.193	-1.197	10	0		BAAERL
O=C([O-])C1=C[C@H](O)[C@H](O)[C@@H](C(=O)[O-])O1	ZINC000230071136	574420324	/nfs/dbraw/zinc/42/03/24/574420324.db2.gz	KUKCUROTFRBUNU-SMYKQSBYSA-N	-2	0	204.134	-1.840	10	0	endogenous,in-man	BAAERL
O=C([O-])[C@@]1(n2c(=O)[n-][nH]c2=O)CCOC1	ZINC000230387465	344567756	/nfs/dbraw/zinc/56/77/56/344567756.db2.gz	MBRSHQIHIVZOCA-SSDOTTSWSA-N	-2	0	215.165	-1.935	10	0		BAAERL
O=C([O-])[C@]1(n2c(=O)[n-][nH]c2=O)CCOC1	ZINC000230387467	344567832	/nfs/dbraw/zinc/56/78/32/344567832.db2.gz	MBRSHQIHIVZOCA-ZETCQYMHSA-N	-2	0	215.165	-1.935	10	0		BAAERL
C[C@@](O)(Cn1c(=O)[n-][nH]c1=O)C(=O)[O-]	ZINC000230387551	344568043	/nfs/dbraw/zinc/56/80/43/344568043.db2.gz	LFHWXSDKAAFLOD-ZCFIWIBFSA-N	-2	0	203.154	-2.300	10	0		BAAERL
C[C@](O)(Cn1c(=O)[n-][nH]c1=O)C(=O)[O-]	ZINC000230387553	344567912	/nfs/dbraw/zinc/56/79/12/344567912.db2.gz	LFHWXSDKAAFLOD-LURJTMIESA-N	-2	0	203.154	-2.300	10	0		BAAERL
C[C@]([NH3+])(C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000238457087	177443814	/nfs/dbraw/zinc/44/38/14/177443814.db2.gz	XJJVWPCBYSSJDP-CLTAVNFZSA-N	-2	0	205.166	-1.036	10	0		BAAERL
O=C([O-])C[C@@H]1[C@@H](C(=O)[O-])C[NH2+][C@@H]1C(=O)[O-]	ZINC000238635674	182486226	/nfs/dbraw/zinc/48/62/26/182486226.db2.gz	CKMJNFYVYFGMRP-IWGUZYHVSA-N	-2	0	217.177	-1.166	10	0		BAAERL
O=P([O-])([O-])OC[C@H](O)[C@@H](O)c1c[nH]cn1	ZINC000238689550	386522332	/nfs/dbraw/zinc/52/23/32/386522332.db2.gz	SIVIZMCKQNFBMT-ZLUOBGJFSA-N	-2	0	238.136	-1.701	10	0		BAAERL
O=P([O-])([O-])OC[C@H](O)[C@H](O)c1c[nH]cn1	ZINC000238689576	386523927	/nfs/dbraw/zinc/52/39/27/386523927.db2.gz	SIVIZMCKQNFBMT-HCWXCVPCSA-N	-2	0	238.136	-1.701	10	0		BAAERL
O=C([O-])[C@@H]1OCO[C@@H]2[C@H](C(=O)[O-])OCO[C@@H]12	ZINC000247347105	384395573	/nfs/dbraw/zinc/39/55/73/384395573.db2.gz	BMIGKNLZZFLFER-JGWLITMVSA-N	-2	0	234.160	-1.361	10	0		BAAERL
O=C([O-])[C@@H]1OCO[C@@H]2[C@H](C(=O)[O-])OCO[C@H]12	ZINC000247347120	259545299	/nfs/dbraw/zinc/54/52/99/259545299.db2.gz	BMIGKNLZZFLFER-UNTFVMJOSA-N	-2	0	234.160	-1.361	10	0		BAAERL
O=C([O-])Cn1nnc2c1nc(C(=O)[O-])[nH]c2=O	ZINC000253567848	385684197	/nfs/dbraw/zinc/68/41/97/385684197.db2.gz	KNZQKQICLOWFMZ-UHFFFAOYSA-N	-2	0	239.147	-1.290	10	0		BAAERL
O=C([O-])C1=C[C@H](O)[C@H](O)[C@H](C(=O)[O-])O1	ZINC000257467984	571859723	/nfs/dbraw/zinc/85/97/23/571859723.db2.gz	KUKCUROTFRBUNU-MDZRLIFHSA-N	-2	0	204.134	-1.840	10	0	endogenous,in-man	BAAERL
O=C([O-])C(C(=O)[O-])N1C(=O)CSCC1=O	ZINC000306523116	360359649	/nfs/dbraw/zinc/35/96/49/360359649.db2.gz	RPQURLGNGFNHQA-UHFFFAOYSA-N	-2	0	233.201	-1.374	10	0		BAAERL
O=C([O-])C(=O)C(=O)[N-]C1=NCCS1	ZINC000306632013	361363440	/nfs/dbraw/zinc/36/34/40/361363440.db2.gz	OKUFIEYLXLCXCM-UHFFFAOYSA-N	-2	0	202.191	-1.141	10	0		BAAERL
O=C([O-])C(C(=O)[O-])N1CCCNC1=O	ZINC000307111662	351484404	/nfs/dbraw/zinc/48/44/04/351484404.db2.gz	NVXDOHYFQMHLSI-UHFFFAOYSA-N	-2	0	202.166	-1.061	10	0		BAAERL
O=C1[N-]OC[C@@H]1n1c(=O)[n-][nH]c1=S	ZINC000307140998	351500693	/nfs/dbraw/zinc/50/06/93/351500693.db2.gz	IJEYWJFLGIXWKU-REOHCLBHSA-N	-2	0	202.195	-1.537	10	0		BAAERL
O=C1[N-]OC[C@H]1n1c(=O)[n-][nH]c1=S	ZINC000307140999	351500309	/nfs/dbraw/zinc/50/03/09/351500309.db2.gz	IJEYWJFLGIXWKU-UWTATZPHSA-N	-2	0	202.195	-1.537	10	0		BAAERL
O=C([O-])/C=C/C(=O)N[C@H]1CO[N-]C1=O	ZINC000307167737	351541855	/nfs/dbraw/zinc/54/18/55/351541855.db2.gz	SHWMDYNMIKRADI-QPHDTYRISA-N	-2	0	200.150	-1.827	10	0		BAAERL
O=C([O-])C(C(=O)[O-])N1C(=O)COCC1=O	ZINC000307375443	352474686	/nfs/dbraw/zinc/47/46/86/352474686.db2.gz	ZKEVQNUZOXVYOD-UHFFFAOYSA-N	-2	0	217.133	-2.090	10	0		BAAERL
O=P([O-])([O-])O[C@@H]1O[C@H](CO)[C@H](O)[C@H]1F	ZINC000307430626	398164197	/nfs/dbraw/zinc/16/41/97/398164197.db2.gz	KHZHQHJALVQUPK-MBMOQRBOSA-N	-2	0	232.100	-1.488	10	0		BAAERL
CS(=O)(=O)[C@@H]1CC1(C(=O)[O-])C(=O)[O-]	ZINC000536952237	323958130	/nfs/dbraw/zinc/95/81/30/323958130.db2.gz	PGBGBZSNXSBKQU-GSVOUGTGSA-N	-2	0	208.191	-1.041	10	0		BAAERL
CS(=O)(=O)[C@H]1CC1(C(=O)[O-])C(=O)[O-]	ZINC000536952246	323958133	/nfs/dbraw/zinc/95/81/33/323958133.db2.gz	PGBGBZSNXSBKQU-VKHMYHEASA-N	-2	0	208.191	-1.041	10	0		BAAERL
Cn1c(N)nc2[n-]c(=O)c(C(=O)[O-])nc2c1=O	ZINC000584658961	411943637	/nfs/dbraw/zinc/94/36/37/411943637.db2.gz	PYCKOAVDZPHUMH-UHFFFAOYSA-N	-2	0	237.175	-1.703	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1O[C@H](O)C[C@H](O)[C@@H]1O	ZINC000616583600	349317450	/nfs/dbraw/zinc/31/74/50/349317450.db2.gz	UQJFZAAGZAYVKZ-FSIIMWSLSA-N	-2	0	244.136	-2.075	10	0		BAAERL
O=P([O-])([O-])OC[C@H]1O[C@@H](O)C[C@H](O)[C@@H]1O	ZINC000616583607	349317201	/nfs/dbraw/zinc/31/72/01/349317201.db2.gz	UQJFZAAGZAYVKZ-KCDKBNATSA-N	-2	0	244.136	-2.075	10	0		BAAERL
O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@@H]1F	ZINC000616588087	369096623	/nfs/dbraw/zinc/09/66/23/369096623.db2.gz	KHZHQHJALVQUPK-MGCNEYSASA-N	-2	0	232.100	-1.488	10	0		BAAERL
O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H]1F	ZINC000616588092	349488200	/nfs/dbraw/zinc/48/82/00/349488200.db2.gz	KHZHQHJALVQUPK-SQOUGZDYSA-N	-2	0	232.100	-1.488	10	0		BAAERL