smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(=O)n([C@@H]2C[C@@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1CO	ZINC000001529824	560181100	/nfs/dbraw/zinc/18/11/00/560181100.db2.gz	BTIWPBKNTZFNRI-CSMHCCOUSA-N	-2	0	337.225	-1.925	1	0	in-vitro	EAAFRL
O=C([O-])[C@@H]1[C@H]2[C@H]3C(=O)NC(=O)[C@H]3[C@H]2[C@H](C(=O)[O-])[C@H]2C(=O)NC(=O)[C@H]21	ZINC000001585597	209762791	/nfs/dbraw/zinc/76/27/91/209762791.db2.gz	IYCWTTIACPTBRO-QTPKHLGQSA-N	-2	0	336.256	-2.575	1	0		EAAFRL
O=C([O-])[C@@H](CO)NC(=O)c1nccnc1C(=O)N[C@H](CO)C(=O)[O-]	ZINC000001891615	209803521	/nfs/dbraw/zinc/80/35/21/209803521.db2.gz	VJKJHFNAMRJSFR-PHDIDXHHSA-N	-2	0	342.264	-3.173	1	0		EAAFRL
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003201889	374688781	/nfs/dbraw/zinc/68/87/81/374688781.db2.gz	UDMBCSSLTHHNCD-KMPDEGCQSA-N	-2	0	347.224	-1.863	1	0		EAAFRL
Nc1nc2c(ncn2C[C@H]2O[C@@H]([P@@](=O)([O-])O)C[C@@H]2O)c(=O)[nH]1	ZINC000003842743	210077911	/nfs/dbraw/zinc/07/79/11/210077911.db2.gz	HJZVJSUNSQOECX-JKUQZMGJSA-N	-2	0	331.225	-1.645	1	0		EAAFRL
O=P([O-])([O-])OC1[C@H](O)[C@@H](O)C(OP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003869993	210082520	/nfs/dbraw/zinc/08/25/20/210082520.db2.gz	PELZSPZCXGTUMR-MBEOBJKWSA-N	-4	0	340.114	-3.601	1	0	in-vitro	EAAFRL
O=C([O-])c1ccc[n+]([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1	ZINC000003870114	210082543	/nfs/dbraw/zinc/08/25/43/210082543.db2.gz	JOUIQRNQJGXQDC-JLIMGVALSA-O	-2	0	336.213	-1.599	1	0	in-vitro	EAAFRL
O=C([O-])c1ccc[n+]([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1	ZINC000003870115	210081788	/nfs/dbraw/zinc/08/17/88/210081788.db2.gz	JOUIQRNQJGXQDC-SGIHWFKDSA-O	-2	0	336.213	-1.599	1	0	in-vitro	EAAFRL
O=C([O-])c1ccc[n+]([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c1	ZINC000003870116	210081944	/nfs/dbraw/zinc/08/19/44/210081944.db2.gz	JOUIQRNQJGXQDC-JXUBOQSCSA-O	-2	0	336.213	-1.599	1	0	in-vitro	EAAFRL
O=C([O-])c1ccc[n+]([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2O)c1	ZINC000003870117	210081743	/nfs/dbraw/zinc/08/17/43/210081743.db2.gz	JOUIQRNQJGXQDC-QCLAVDOMSA-O	-2	0	336.213	-1.599	1	0	in-vitro	EAAFRL
Nc1c(C(=O)[O-])ncn1[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003870154	560190769	/nfs/dbraw/zinc/19/07/69/560190769.db2.gz	XFVULMDJZXYMSG-FHTXDIHVSA-N	-3	0	339.197	-2.108	1	0	in-vitro,metabolite	EAAFRL
Nc1c(C(=O)[O-])ncn1[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000003870155	560190721	/nfs/dbraw/zinc/19/07/21/560190721.db2.gz	XFVULMDJZXYMSG-CMFQWLGBSA-N	-3	0	339.197	-2.108	1	0	in-vitro,metabolite	EAAFRL
Nc1c(C(=O)[O-])ncn1[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003870156	560190726	/nfs/dbraw/zinc/19/07/26/560190726.db2.gz	XFVULMDJZXYMSG-LCAOHGEVSA-N	-3	0	339.197	-2.108	1	0	in-vitro,metabolite	EAAFRL
Nc1c(C(=O)[O-])ncn1[C@@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000003870157	560190754	/nfs/dbraw/zinc/19/07/54/560190754.db2.gz	XFVULMDJZXYMSG-IPFTVGSRSA-N	-3	0	339.197	-2.108	1	0	in-vitro,metabolite	EAAFRL
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)([O-])[O-])O2)cc1F	ZINC000003871119	210082612	/nfs/dbraw/zinc/08/26/12/210082612.db2.gz	HFEKDTCAMMOLQP-LYFYHCNISA-N	-2	0	326.173	-1.567	1	0		EAAFRL
O=P([O-])([O-])O[C@H]1C(O)[C@@H](OP(=O)([O-])[O-])[C@H](O)C(O)[C@@H]1O	ZINC000004096299	210119157	/nfs/dbraw/zinc/11/91/57/210119157.db2.gz	PUVHMWJJTITUGO-WJPCITMWSA-N	-4	0	340.114	-3.601	1	0	in-vitro	EAAFRL
O=P([O-])([O-])OC[C@@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004096516	560194164	/nfs/dbraw/zinc/19/41/64/560194164.db2.gz	VFHNNRXYOUPLDR-ZKMHSNTISA-N	-2	0	334.214	-3.727	1	0	in-vitro	EAAFRL
O=P([O-])([O-])OC[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004098743	560196132	/nfs/dbraw/zinc/19/61/32/560196132.db2.gz	PLJAVYDLNJODGD-LHCONQACSA-N	-2	0	334.214	-3.727	1	0	in-vitro	EAAFRL
O=P([O-])([O-])OC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004098744	560196120	/nfs/dbraw/zinc/19/61/20/560196120.db2.gz	PLJAVYDLNJODGD-VMQOHUEUSA-N	-2	0	334.214	-3.727	1	0	in-vitro	EAAFRL
C[C@@](O)(P(=O)([O-])OC[C@H](O)CN1CCOCC1)[P@@](=O)([O-])O	ZINC000004742309	210265518	/nfs/dbraw/zinc/26/55/18/210265518.db2.gz	PBTUUOMHVRSRTO-BDAKNGLRSA-N	-2	0	349.213	-1.275	1	0		EAAFRL
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000008614744	581100710	/nfs/dbraw/zinc/10/07/10/581100710.db2.gz	UDMBCSSLTHHNCD-SQQSDITASA-N	-2	0	347.224	-1.863	1	0		EAAFRL
O=c1[nH]c2c(ncn2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]1	ZINC000013507076	560217596	/nfs/dbraw/zinc/21/75/96/560217596.db2.gz	RTWWRSBEQVIVBY-KVQBGUIXSA-N	-2	0	348.208	-1.829	1	0	in-vitro	EAAFRL
Nc1ncnc2c([C@@H]3O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]3O)n[nH]c21	ZINC000013507321	560217635	/nfs/dbraw/zinc/21/76/35/560217635.db2.gz	PBAHXXBYQACZMA-ZQLUKILPSA-N	-2	0	347.224	-1.794	1	0	in-vitro	EAAFRL
Nc1ncnc2c([C@H]3O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]3O)n[nH]c21	ZINC000013507323	560217561	/nfs/dbraw/zinc/21/75/61/560217561.db2.gz	PBAHXXBYQACZMA-PQZFFIDOSA-N	-2	0	347.224	-1.794	1	0	in-vitro	EAAFRL
COc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000013514791	560218146	/nfs/dbraw/zinc/21/81/46/560218146.db2.gz	GEADDYZDICTQHP-UIISKDMLSA-N	-2	0	338.209	-1.697	1	0	in-vitro	EAAFRL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2F)c(=O)n1	ZINC000013516862	560218325	/nfs/dbraw/zinc/21/83/25/560218325.db2.gz	KTAATIGPZHTGOP-PXBUCIJWSA-N	-2	0	325.189	-1.469	1	0	in-vitro	EAAFRL
Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=S)n1	ZINC000013517205	560218307	/nfs/dbraw/zinc/21/83/07/560218307.db2.gz	BPWVHBCPZTVLLY-XVFCMESISA-N	-2	0	339.266	-1.077	1	0	in-vitro	EAAFRL
Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)([O-])[O-])C[C@H]2O)c(=O)[nH]1	ZINC000013517233	560218273	/nfs/dbraw/zinc/21/82/73/560218273.db2.gz	FDFODSATEZEUMJ-OBXARNEKSA-N	-2	0	347.224	-1.541	1	0	in-vitro	EAAFRL
Cn1c(=O)ccn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1=O	ZINC000013517711	560218295	/nfs/dbraw/zinc/21/82/95/560218295.db2.gz	KZSHODFDDQCIMT-ZOQUXTDFSA-N	-2	0	338.209	-2.725	1	0	in-vitro	EAAFRL
[NH3+][C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1OP(=O)([O-])[O-]	ZINC000013548846	560219686	/nfs/dbraw/zinc/21/96/86/560219686.db2.gz	SHDYQZNYDQDWFM-UKFBFLRUSA-N	-3	0	339.130	-3.021	1	0	in-vitro	EAAFRL
O=C([O-])CC[C@H](NC(=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-]	ZINC000013861538	201919590	/nfs/dbraw/zinc/91/95/90/201919590.db2.gz	LFPXYNQLDHFGSM-WDSKDSINSA-N	-4	0	348.264	-2.145	1	0		EAAFRL
Nc1ccn([C@@H]2C[C@@H](O)[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)n1	ZINC000025999817	202138202	/nfs/dbraw/zinc/13/82/02/202138202.db2.gz	HCUDNKDMKTXMLJ-MTSNSDSCSA-N	-2	0	337.225	-2.056	1	0		EAAFRL
C[C@]1(COC=O)[C@H](C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])[C@H]2S1(=O)=O	ZINC000026148522	212507680	/nfs/dbraw/zinc/50/76/80/212507680.db2.gz	IZCVSQGCGANHMW-XEXDWMMCSA-N	-2	0	333.274	-2.021	1	0		EAAFRL
O=C([O-])[C@@H]1[C@H]2[C@H]3C(=O)NC(=O)[C@@H]3[C@H]2[C@H](C(=O)[O-])[C@H]2C(=O)NC(=O)[C@@H]21	ZINC000026266733	202141907	/nfs/dbraw/zinc/14/19/07/202141907.db2.gz	IYCWTTIACPTBRO-UZXANQNQSA-N	-2	0	336.256	-1.735	1	0		EAAFRL
Nc1ncnc2c1ncn2[C@@H]1CO[C@@H](COP(=O)([O-])[O-])[C@@H]1O	ZINC000026502933	202144329	/nfs/dbraw/zinc/14/43/29/202144329.db2.gz	LICWMIRZVKPDJN-GKROBHDKSA-N	-2	0	331.225	-1.181	1	0		EAAFRL
CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCOP(=O)([O-])[O-]	ZINC000026646130	202146237	/nfs/dbraw/zinc/14/62/37/202146237.db2.gz	VQVDZNOGXSOERF-UHFFFAOYSA-N	-2	0	348.252	-1.058	1	0		EAAFRL
O=C([O-])C(=O)N[C@@H]1CC(C(=O)[O-])=C[C@@H](OC(C(=O)[O-])C(=O)[O-])[C@H]1O	ZINC000026725438	202148001	/nfs/dbraw/zinc/14/80/01/202148001.db2.gz	ARVCTFCOWBUTPX-PBXRRBTRSA-N	-4	0	347.232	-2.746	1	0		EAAFRL
CC(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)[C@@H](C)OP(=O)([O-])[O-]	ZINC000028469730	202171113	/nfs/dbraw/zinc/17/11/13/202171113.db2.gz	IGLQOKTVUBAILB-VDAHYXPESA-N	-2	0	337.269	-1.535	1	0		EAAFRL
C[C@]1(Cn2cc(C(=O)[O-])nn2)[C@H](C(=O)[O-])[C@H]2C(=O)C[C@@H]2S1(=O)=O	ZINC000029241249	202182569	/nfs/dbraw/zinc/18/25/69/202182569.db2.gz	GIFHLGGIPIAVNV-PEFMBERDSA-N	-2	0	343.317	-1.178	1	0		EAAFRL
C[C@]1(Cn2nncc2C(=O)[O-])[C@H](C(=O)[O-])[C@@H]2C(=O)C[C@@H]2S1(=O)=O	ZINC000029249170	212658604	/nfs/dbraw/zinc/65/86/04/212658604.db2.gz	DZCHPZBOQLTTII-NHRVJRKFSA-N	-2	0	343.317	-1.178	1	0		EAAFRL
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=C/C(=O)[O-])[C@H]2S(=O)(=O)C1	ZINC000029318833	202184001	/nfs/dbraw/zinc/18/40/01/202184001.db2.gz	OWSYJEORPQIBAC-IGVIJBNESA-N	-2	0	345.285	-1.504	1	0		EAAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](c2[nH]nc3cncnc32)[C@H](O)[C@@H]1O	ZINC000029570920	202189431	/nfs/dbraw/zinc/18/94/31/202189431.db2.gz	NDEAHYLKDSBDCS-KBHCAIDQSA-N	-2	0	332.209	-1.376	1	0		EAAFRL
C[C@](O)(P(=O)([O-])OC[C@@H](O)CN1CCOCC1)[P@@](=O)([O-])O	ZINC000031898475	202212002	/nfs/dbraw/zinc/21/20/02/202212002.db2.gz	PBTUUOMHVRSRTO-DTWKUNHWSA-N	-2	0	349.213	-1.275	1	0		EAAFRL
C[P@@](=O)([O-])N[C@H]1[C@H](O)O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000035816966	213050541	/nfs/dbraw/zinc/05/05/41/213050541.db2.gz	YCTZDNRMKSWCHF-NYMZXIIRSA-N	-3	0	337.158	-2.692	1	0		EAAFRL
O=C([O-])C[C@@H](NC(=O)C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[O-]	ZINC000038601607	213216264	/nfs/dbraw/zinc/21/62/64/213216264.db2.gz	NNBJCUSTTMQVDV-GYUMVUGNSA-N	-2	0	337.281	-3.737	1	0		EAAFRL
O=C([O-])C[C@@H](NC(=O)C[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[O-]	ZINC000038601609	213216269	/nfs/dbraw/zinc/21/62/69/213216269.db2.gz	NNBJCUSTTMQVDV-AWZPKZQJSA-N	-2	0	337.281	-3.737	1	0		EAAFRL
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000040165389	571760841	/nfs/dbraw/zinc/76/08/41/571760841.db2.gz	QDFHPFSBQFLLSW-CRKDRTNXSA-N	-2	0	347.224	-1.863	1	0	endogenous,in-man	EAAFRL
O=C([O-])Nc1cncn1[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000040165549	571761314	/nfs/dbraw/zinc/76/13/14/571761314.db2.gz	JHLXDWGVSYMXPL-IHBLQFBFSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-man	EAAFRL
Nc1c(C(=O)[O-])cnn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000040406410	213300475	/nfs/dbraw/zinc/30/04/75/213300475.db2.gz	YYTUFDZEDTZIRC-UAKXSSHOSA-N	-3	0	339.197	-2.108	1	0		EAAFRL
Nc1c(C(=O)[O-])nnn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000040835354	213390914	/nfs/dbraw/zinc/39/09/14/213390914.db2.gz	CWTPFFUDSCCDHG-VAXBZUEQSA-N	-3	0	340.185	-2.713	1	0		EAAFRL
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)O[C@](O)(P(=O)([O-])[O-])C[C@@H]1O	ZINC000040860927	213394330	/nfs/dbraw/zinc/39/43/30/213394330.db2.gz	DSSKJOUOHJGWTO-NHETZVSYSA-N	-2	0	345.241	-3.821	1	0		EAAFRL
Cc1cn([C@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000049089263	581092249	/nfs/dbraw/zinc/09/22/49/581092249.db2.gz	IGWHDMPTQKSDTL-PULFBKJNSA-N	-2	0	338.209	-2.426	1	0		EAAFRL
NC(=O)C1NN=C([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C1=O	ZINC000049803241	214033138	/nfs/dbraw/zinc/03/31/38/214033138.db2.gz	CUHDHRMGDRLFLH-FLLFQEBCSA-N	-2	0	339.197	-2.515	1	0	in-vitro	EAAFRL
Cc1cn([C@@H]2O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]2O)c(=O)[nH]c1=O	ZINC000053684381	581092140	/nfs/dbraw/zinc/09/21/40/581092140.db2.gz	IGWHDMPTQKSDTL-XZMZPDFPSA-N	-2	0	338.209	-2.426	1	0	in-vivo	EAAFRL
O=P([O-])([O-])OC[C@H]1O[C@@H](n2cc(CCO)nn2)[C@H](O)[C@@H]1O	ZINC000066078639	215007484	/nfs/dbraw/zinc/00/74/84/215007484.db2.gz	QSBIGPYSTPVRGS-FNCVBFRFSA-N	-2	0	325.214	-2.459	1	0		EAAFRL
O=C([O-])[C@@H]1C=CC=[N+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C1	ZINC000085552062	571781918	/nfs/dbraw/zinc/78/19/18/571781918.db2.gz	OGCWVIVNTBZPBW-VVULQXIFSA-O	-2	0	338.229	-2.104	1	0	endogenous,in-man	EAAFRL
O=C([O-])[C@H]1C=CC=[N+]([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C1	ZINC000085552064	571781694	/nfs/dbraw/zinc/78/16/94/571781694.db2.gz	OGCWVIVNTBZPBW-VAPHQMJDSA-O	-2	0	338.229	-2.104	1	0	endogenous,in-man	EAAFRL
O=C([O-])Nc1cncn1[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000100770418	571813072	/nfs/dbraw/zinc/81/30/72/571813072.db2.gz	JHLXDWGVSYMXPL-JBBNEOJLSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-vitro	EAAFRL
O=C([O-])Nc1cncn1[C@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000100770419	571813065	/nfs/dbraw/zinc/81/30/65/571813065.db2.gz	JHLXDWGVSYMXPL-APTPUMFKSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-vitro	EAAFRL
O=C([O-])Nc1cncn1[C@H]1O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000100770421	571813053	/nfs/dbraw/zinc/81/30/53/571813053.db2.gz	JHLXDWGVSYMXPL-JPCMASIJSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-vitro	EAAFRL
O=C([O-])Nc1cncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]1O	ZINC000104874380	571843099	/nfs/dbraw/zinc/84/30/99/571843099.db2.gz	JHLXDWGVSYMXPL-YDKYIBAVSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-vitro	EAAFRL
CO[C@@H]1[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]1n1cnc(C(N)=O)n1	ZINC000166110004	532983910	/nfs/dbraw/zinc/98/39/10/532983910.db2.gz	POKDXVPNKNMPQU-MWKIOEHESA-N	-2	0	338.213	-2.240	1	0		EAAFRL
Nc1ncnc2c1ncn2[C@H]1O[C@@](O)(OP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000169293705	226238172	/nfs/dbraw/zinc/23/81/72/226238172.db2.gz	PSYQCDOVMYLKIL-YSPBZLIWSA-N	-2	0	349.196	-2.586	1	0		EAAFRL
O=c1ccn([C@@H]2O[C@H]([C@H](O)C[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000169308916	226238748	/nfs/dbraw/zinc/23/87/48/226238748.db2.gz	DXQASGAWSKQGQC-DFPOFIQKSA-N	-2	0	338.209	-3.306	1	0		EAAFRL
O=C([O-])C[C@@H](NC(=O)C[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[O-]	ZINC000169365257	534502275	/nfs/dbraw/zinc/50/22/75/534502275.db2.gz	NNBJCUSTTMQVDV-ISUMPMQLSA-N	-2	0	337.281	-3.737	1	0		EAAFRL
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1Cl	ZINC000169713630	685216070	/nfs/dbraw/zinc/21/60/70/685216070.db2.gz	RBQXEHDSKLSKLJ-XVMARJQXSA-N	-2	0	342.628	-1.052	1	0		EAAFRL
O=C([O-])Nc1cncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O	ZINC000230059880	574420265	/nfs/dbraw/zinc/42/02/65/574420265.db2.gz	JHLXDWGVSYMXPL-CCXZUQQUSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-vitro	EAAFRL
O=C([O-])Nc1cncn1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H]1O	ZINC000261496573	571862391	/nfs/dbraw/zinc/86/23/91/571862391.db2.gz	JHLXDWGVSYMXPL-PXBUCIJWSA-N	-3	0	339.197	-1.299	1	0	endogenous,in-vitro	EAAFRL
O=c1[nH]cnc2[nH]c([C@@H]3O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]3O)nc21	ZINC000021983269	374262916	/nfs/dbraw/zinc/26/29/16/374262916.db2.gz	SPNZKHUWDMVMQN-SHUUEZRQSA-N	-2	0	348.208	-2.083	2	0		EAAFRL
N[C@H]1N=CNc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC000086860020	374333990	/nfs/dbraw/zinc/33/39/90/374333990.db2.gz	HMKBOZAAFGABMQ-SZACMFPPSA-N	-2	0	333.241	-1.139	2	0		EAAFRL
N[C@@H]1N=CNc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1	ZINC000086860021	374334123	/nfs/dbraw/zinc/33/41/23/374334123.db2.gz	HMKBOZAAFGABMQ-YYWONIAYSA-N	-2	0	333.241	-1.139	2	0		EAAFRL