smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000013438585	204490413	/nfs/dbraw/zinc/49/04/13/204490413.db2.gz	IDWKVOPTSDZQJC-LBPRGKRZSA-N	-1	0	395.264	1.737	1	0		GDAFRM
CCOC(=O)c1cccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)[O-])C2=O)c1	ZINC000036380143	205015147	/nfs/dbraw/zinc/01/51/47/205015147.db2.gz	ZGQDHCDIITWIRB-GDNBJRDFSA-N	-1	0	383.360	1.631	3	0		GDAFRM
CC(=O)N[C@@H]1CCN(c2c(N)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2C)C1	ZINC000049799822	205129738	/nfs/dbraw/zinc/12/97/38/205129738.db2.gz	GKORDGXFZIFUPW-GFCCVEGCSA-N	-1	0	384.436	1.640	1	0		GDAFRM
CCC(CC)O[C@@H]1CC(C(=O)[O-])=C[C@H](n2cc([C@H](O)CC)nn2)[C@H]1NC(C)=O	ZINC000064528509	222072961	/nfs/dbraw/zinc/07/29/61/222072961.db2.gz	GDVDNLLDXBKKJO-BSDSXHPESA-N	-1	0	394.472	1.756	1	0	in-vitro	GDAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C[C@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000005820800	571690398	/nfs/dbraw/zinc/69/03/98/571690398.db2.gz	SAAOVBGAFHJPIF-HMFGAWAUSA-N	-1	0	388.501	1.209	1	0	endogenous,in-man	GDAFRM
CC1(C)N[C@H](c2ccccc2)C(=O)N1[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000011615972	204347671	/nfs/dbraw/zinc/34/76/71/204347671.db2.gz	DXVUYOAEDJXBPY-IATRGZMQSA-N	-1	0	389.477	1.411	1	0		GDAFRM
Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2cccnc2)C(=O)[O-])c(C)c1	ZINC000043120465	205081914	/nfs/dbraw/zinc/08/19/14/205081914.db2.gz	MDQKXNZNLFVCRA-OAHLLOKOSA-N	-1	0	391.449	1.168	1	0		GDAFRM
N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C(F)(F)F)CC[C@H]12)c1ccccc1	ZINC000003791518	204019675	/nfs/dbraw/zinc/01/96/75/204019675.db2.gz	NIGKRYJRGJZMGC-UTUOFQBUSA-N	-1	0	383.326	1.077	1	0		GDAFRM
O=C([O-])c1c2cccc1COCCOCCOCCOCCOCCOC2	ZINC000004566153	204054642	/nfs/dbraw/zinc/05/46/42/204054642.db2.gz	OKZWIDAJTFIUIC-UHFFFAOYSA-N	-1	0	384.425	1.498	1	0		GDAFRM
O=C([O-])[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1cnccn1	ZINC000040940180	205075297	/nfs/dbraw/zinc/07/52/97/205075297.db2.gz	PFKRXUAGNJCQHE-HNNXBMFYSA-N	-1	0	386.408	1.756	1	0		GDAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(C)C)cc1OC	ZINC000040952345	205076140	/nfs/dbraw/zinc/07/61/40/205076140.db2.gz	RWVOFTDDGHBAIO-PPYMECGQSA-N	-1	0	392.452	1.839	1	0		GDAFRM
C[C@H]1O[C@H](n2cc(I)c3c2nc[n-]c3=S)[C@H](O)[C@@H]1O	ZINC000049089225	205125790	/nfs/dbraw/zinc/12/57/90/205125790.db2.gz	HEWXNIBCOMJVAR-QIDLLAIKSA-N	-1	0	393.206	1.338	1	0		GDAFRM
CS(=O)(=O)c1ccc(S(=O)(=O)n2cc(CC(=O)[O-])c3sccc32)cc1	ZINC000066078956	205240338	/nfs/dbraw/zinc/24/03/38/205240338.db2.gz	PCRONBMWHXNCCR-UHFFFAOYSA-N	-1	0	399.471	1.970	1	0		GDAFRM
Nc1ncnc2c1ncn2CCO[C@@H](Cc1ccccc1)C[P@@](=O)([O-])O	ZINC000072175842	205317501	/nfs/dbraw/zinc/31/75/01/205317501.db2.gz	AJPRHYCVFJQRCC-ZDUSSCGKSA-N	-1	0	377.341	1.214	1	0		GDAFRM
COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1OS(=O)(=O)[O-]	ZINC000095617851	571796592	/nfs/dbraw/zinc/79/65/92/571796592.db2.gz	AXWNOFHBYPBYNO-CYBMUJFWSA-N	-1	0	382.346	1.995	1	0	endogenous,in-man	GDAFRM
Cc1ccc([C@@H](c2c([O-])n(C)c(=O)n(C)c2=O)C(F)(F)C(=O)N(C)C)cc1	ZINC000006522676	204183117	/nfs/dbraw/zinc/18/31/17/204183117.db2.gz	ABPVWQZXEGYKQC-ZDUSSCGKSA-N	-1	0	381.379	1.469	1	0		GDAFRM
O=C([O-])c1cn(-c2nccs2)c2nc(N3CC[C@@H](O)C3)c(F)cc2c1=O	ZINC000027643847	204859528	/nfs/dbraw/zinc/85/95/28/204859528.db2.gz	KWWSUMVZONTHBH-MRVPVSSYSA-N	-1	0	376.369	1.251	1	0		GDAFRM
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccccc2c(C(=O)[O-])c1C3	ZINC000028004966	204865499	/nfs/dbraw/zinc/86/54/99/204865499.db2.gz	ULOYTCQWJLCDKJ-OAQYLSRUSA-N	-1	0	392.367	1.778	1	0		GDAFRM
CCC(CC)O[C@@H]1CC(C(=O)[O-])=C[C@H](n2cc(CCCO)nn2)[C@H]1NC(C)=O	ZINC000064526876	205190046	/nfs/dbraw/zinc/19/00/46/205190046.db2.gz	SRPAWFOAIVGZIY-RCCFBDPRSA-N	-1	0	394.472	1.237	1	0	in-vitro	GDAFRM
CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000071757957	205292532	/nfs/dbraw/zinc/29/25/32/205292532.db2.gz	HOCWPKXKMNXINF-LMOYCYGVSA-N	-1	0	378.450	1.476	1	0		GDAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000001629948	203916223	/nfs/dbraw/zinc/91/62/23/203916223.db2.gz	NSIPXPQHZLNRJQ-LSDHHAIUSA-N	-1	0	378.425	1.904	1	0		GDAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COc3cccc4c3CCCC4=O)[C@H](C)[C@H]12	ZINC000003824383	204019626	/nfs/dbraw/zinc/01/96/26/204019626.db2.gz	PNDZMEGXKJBCAP-ZKINDDDQSA-N	-1	0	385.416	1.781	1	0		GDAFRM
Cc1ccc(/C=C/NC(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1	ZINC000028254498	204870921	/nfs/dbraw/zinc/87/09/21/204870921.db2.gz	GDWHDDUYVYIPTN-LATWXGIRSA-N	-1	0	375.450	1.780	1	0		GDAFRM
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)[NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1	ZINC000040467013	205066279	/nfs/dbraw/zinc/06/62/79/205066279.db2.gz	ONXGVQXINOBGEK-UKMLZYKCSA-N	-1	0	394.493	1.468	1	0		GDAFRM
Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000061904216	205183139	/nfs/dbraw/zinc/18/31/39/205183139.db2.gz	WAWDCWAMVKPAIF-GOSISDBHSA-N	-1	0	391.449	1.710	3	0		GDAFRM
O=C1OC[C@H]([C@H](O)c2ccc3c(c2)OCO3)C1=C([O-])c1ccc2c(c1)OCO2	ZINC000066259035	205241664	/nfs/dbraw/zinc/24/16/64/205241664.db2.gz	VFLHIZSORMIUMV-UYHISHBKSA-N	-1	0	384.340	1.850	1	0	in-vitro	GDAFRM
CCOC(=O)CCNC(=O)C1=NO[C@H](C([O-])(C(F)(F)F)C(F)(F)F)C1	ZINC000035996721	205001485	/nfs/dbraw/zinc/00/14/85/205001485.db2.gz	QYNJQWNRAKGUSA-ZETCQYMHSA-N	-1	0	380.241	1.056	1	0		GDAFRM
CSCC[C@H](NC(=O)CN(c1nc(Cl)nc2nc[nH]c21)C1CC1)C(=O)[O-]	ZINC000045386950	205096112	/nfs/dbraw/zinc/09/61/12/205096112.db2.gz	HPDYTWXQRGMIOK-VIFPVBQESA-N	-1	0	398.876	1.298	1	0		GDAFRM
COc1ccc(CN2CN(CC(=O)[O-])c3ncc(C)cc3S2(=O)=O)cc1	ZINC000071330150	205281715	/nfs/dbraw/zinc/28/17/15/205281715.db2.gz	FVKDYSNOMDZPCL-UHFFFAOYSA-N	-1	0	377.422	1.452	1	0		GDAFRM
O=C([O-])CCC(=O)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O	ZINC000064564811	222073329	/nfs/dbraw/zinc/07/33/29/222073329.db2.gz	WVHVLIBKMODJOR-GOSISDBHSA-N	-1	0	381.432	1.796	1	0		GDAFRM
COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc(O)c(C(=O)[O-])c3O[C@H]1CO2	ZINC000003197509	560188687	/nfs/dbraw/zinc/18/86/87/560188687.db2.gz	OCHPVPSALUKLOM-LIRRHRJNSA-N	-1	0	388.328	1.332	3	0	in-vitro	GDAFRM
COc1ccc2c(c1)C([O-])=C(C(=O)Nc1ncc(C)s1)N(C)S2(=O)=O	ZINC000028013827	204865576	/nfs/dbraw/zinc/86/55/76/204865576.db2.gz	AZYWDLVJGVNPBY-UHFFFAOYSA-N	-1	0	381.435	1.960	1	0		GDAFRM
COc1ccncc1Oc1ccc(N2C(=O)CC[C@]23C(=O)[N-]C(=O)NC3=O)cc1	ZINC000028132849	581097707	/nfs/dbraw/zinc/09/77/07/581097707.db2.gz	ABVSHXSHGCSUFR-UHFFFAOYSA-N	-1	0	396.359	1.954	1	0		GDAFRM
C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])C1	ZINC000006736723	204197687	/nfs/dbraw/zinc/19/76/87/204197687.db2.gz	HLIWOYCEBYADNX-ZDUSSCGKSA-N	-1	0	380.466	1.861	1	0		GDAFRM
O=C([O-])[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H]2SC[C@@H](C(=O)[O-])N2C1=O	ZINC000026939991	204851387	/nfs/dbraw/zinc/85/13/87/204851387.db2.gz	ZWHXNABGNKHSNF-FZKCQIBNSA-N	-1	0	392.477	1.569	1	0		GDAFRM
O=C([O-])[C@H]1CCC(=O)NC[C@H]([C@@H](Nc2ccccc2)c2ccccc2)C(=O)N1	ZINC000064539856	222072672	/nfs/dbraw/zinc/07/26/72/222072672.db2.gz	ALTRYMZTSVMWKM-LMMKCTJWSA-N	-1	0	381.432	1.935	1	0		GDAFRM
CC1(C)S[C@@H]2[C@@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028244166	204871209	/nfs/dbraw/zinc/87/12/09/204871209.db2.gz	SJMCOEQIDCPYBB-DGMCESFYSA-N	-1	0	375.450	1.357	1	0		GDAFRM
CN(Cc1ccco1)c1cc(Cl)c(S(N)(=O)=O)cc1S(=O)(=O)[O-]	ZINC000040640924	205066678	/nfs/dbraw/zinc/06/66/78/205066678.db2.gz	XQRHOFQJBQMRKU-UHFFFAOYSA-N	-1	0	380.831	1.464	1	0		GDAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000028109895	581096037	/nfs/dbraw/zinc/09/60/37/581096037.db2.gz	KRNSPQJSDVYTBC-FVQBIDKESA-N	-1	0	390.436	1.131	1	0		GDAFRM
O=C([O-])CC[C@@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O	ZINC000005835345	204152821	/nfs/dbraw/zinc/15/28/21/204152821.db2.gz	SZUSGTAVUCUOSO-LNVFWXGPSA-N	-1	0	396.399	1.869	1	0		GDAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(COc3ccc4occc(=O)c4c3)[C@H](C)[C@H]12	ZINC000026494138	221641791	/nfs/dbraw/zinc/64/17/91/221641791.db2.gz	XEHRTACTMMTIFI-VLNGCQGFSA-N	-1	0	385.372	1.368	1	0		GDAFRM
Cc1[nH]c(/C=C2/c3cc(S(N)(=O)=O)ccc3NC2=O)c(C)c1CCC(=O)[O-]	ZINC000003815541	204019884	/nfs/dbraw/zinc/01/98/84/204019884.db2.gz	NCORNUPANAVMRQ-ZSOIEALJSA-N	-1	0	389.433	1.789	1	0		GDAFRM
Nc1ncnc2c1nc(-c1ccc(P(=O)([O-])[O-])o1)n2CCc1ccccc1	ZINC000040937310	205075249	/nfs/dbraw/zinc/07/52/49/205075249.db2.gz	DVUPMKJBTAEKFB-UHFFFAOYSA-N	-1	0	385.320	1.714	1	0		GDAFRM
O=C([O-])c1cc(-n2cc3c(n2)CCC3)cc(S(=O)(=O)N2CCOCC2)c1	ZINC000071751860	205291067	/nfs/dbraw/zinc/29/10/67/205291067.db2.gz	ZXZLBSFSRKPLNT-UHFFFAOYSA-N	-1	0	377.422	1.080	1	0		GDAFRM
O=C([O-])c1cn(C[C@@H](O)Cn2cncn2)c2c(Cl)cc(Cl)cc2c1=O	ZINC000096909058	205575417	/nfs/dbraw/zinc/57/54/17/205575417.db2.gz	KPRWXSHMYJDMJW-SECBINFHSA-N	-1	0	383.191	1.659	1	0		GDAFRM
O=C([O-])CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC(O)(O)O	ZINC000085589093	571784280	/nfs/dbraw/zinc/78/42/80/571784280.db2.gz	UZWWTCBNUQJEPB-WLMOLUCVSA-N	-1	0	384.469	1.769	1	0	endogenous,in-man	GDAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2SC[C@@H](C(=O)[O-])N2C1=O	ZINC000003814187	204019142	/nfs/dbraw/zinc/01/91/42/204019142.db2.gz	ZWHXNABGNKHSNF-UGUYLWEFSA-N	-1	0	392.477	1.569	1	0		GDAFRM
COc1cc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)[O-])ccc1O	ZINC000005742207	204149849	/nfs/dbraw/zinc/14/98/49/204149849.db2.gz	CZTRBMMRFGMOKC-XXJKJQDVSA-N	-1	0	392.433	1.046	1	0		GDAFRM
CC[C@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc(C(=O)[O-])cc2cc1C3	ZINC000013832881	204516423	/nfs/dbraw/zinc/51/64/23/204516423.db2.gz	SJEVFPQEARWJCK-NRFANRHFSA-N	-1	0	392.367	1.778	1	0		GDAFRM
CCN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)CC1	ZINC000038424428	205035704	/nfs/dbraw/zinc/03/57/04/205035704.db2.gz	JFUHXTFZSVKCSK-NSHDSACASA-N	-1	0	375.400	1.934	1	0		GDAFRM
CCSCC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cc3ccccc3)CS[C@H]12	ZINC000169344245	205829671	/nfs/dbraw/zinc/82/96/71/205829671.db2.gz	NTXVQDVSDWCSHN-RHSMWYFYSA-N	-1	0	392.502	1.721	1	0		GDAFRM
C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000003797357	204020026	/nfs/dbraw/zinc/02/00/26/204020026.db2.gz	OFCXTUWNBCBZFB-IUCAKERBSA-N	-1	0	388.492	1.112	1	0		GDAFRM
COc1cccc(Oc2ccc(N3C(=O)CCC34C(=O)[N-]C(=O)NC4=O)cc2)c1	ZINC000003819195	204020282	/nfs/dbraw/zinc/02/02/82/204020282.db2.gz	VLYKOMJYRYYWFW-UHFFFAOYSA-N	-1	0	395.371	1.719	1	0		GDAFRM
O=C([O-])c1cn(-c2nccs2)c2nc(N3CC[C@H](O)C3)c(F)cc2c1=O	ZINC000027642498	204859809	/nfs/dbraw/zinc/85/98/09/204859809.db2.gz	KWWSUMVZONTHBH-QMMMGPOBSA-N	-1	0	376.369	1.251	1	0		GDAFRM
CO[C@H]1[C@@H](COC(C)C)O[C@@H](OCC(=O)[O-])[C@@H](OCc2ccccc2)[C@H]1OC	ZINC000053243773	205134364	/nfs/dbraw/zinc/13/43/64/205134364.db2.gz	UWADVMJXQOLABA-QDGKJQRMSA-N	-1	0	398.452	1.853	1	0		GDAFRM
O=C([O-])c1cn(C[C@H](O)Cn2cncn2)c2c(Cl)cc(Cl)cc2c1=O	ZINC000096909057	205575942	/nfs/dbraw/zinc/57/59/42/205575942.db2.gz	KPRWXSHMYJDMJW-VIFPVBQESA-N	-1	0	383.191	1.659	1	0		GDAFRM
O=C([O-])Cn1cnc2c1nc(NC(=O)C1CCCCC1)nc2N1CCOCC1	ZINC000066102770	222137640	/nfs/dbraw/zinc/13/76/40/222137640.db2.gz	YFCASXKFFIBHBP-UHFFFAOYSA-N	-1	0	388.428	1.266	1	0		GDAFRM
CN1CCN(c2c(N)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CC1	ZINC000003789647	204019157	/nfs/dbraw/zinc/01/91/57/204019157.db2.gz	CYHMBACPZPOTBO-UHFFFAOYSA-N	-1	0	375.404	1.090	1	0		GDAFRM
[NH3+][C@]1(C(=O)[O-])[C@H]2[C@@H](C[C@H]1OCc1c(F)c(F)c(F)c(F)c1F)[C@]2(F)C(=O)[O-]	ZINC000013582214	204497212	/nfs/dbraw/zinc/49/72/12/204497212.db2.gz	SOVWBFXVGUWPNT-MQQJTIOISA-N	-1	0	399.243	1.492	1	0		GDAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21	ZINC000014976494	204550164	/nfs/dbraw/zinc/55/01/64/204550164.db2.gz	ZCDQMYGMUJCSPB-HXUWFJFHSA-N	-1	0	398.802	1.968	1	0		GDAFRM
O=C([O-])c1cn(C2CC2)c2nc(N3CC[C@@H]4NC(=O)O[C@@H]4C3)c(F)cc2c1=O	ZINC000095591321	136182392	/nfs/dbraw/zinc/18/23/92/136182392.db2.gz	ULCUDPQJBSUITF-QWHCGFSZSA-N	-1	0	388.355	1.256	1	0		GDAFRM
Cc1c(C)c(=O)n(Cc2nc(-c3cccc(F)c3F)no2)nc1CC(=O)[O-]	ZINC000013650642	581091588	/nfs/dbraw/zinc/09/15/88/581091588.db2.gz	BSOVZUUQTXTSQA-UHFFFAOYSA-N	-1	0	376.319	1.864	1	0		GDAFRM
COc1c(O)c2c([O-])cc(C)c3c2c(c1O)C(=O)[C@](O)(C(C)(C)C(C)=O)C3=O	ZINC000005850560	204154116	/nfs/dbraw/zinc/15/41/16/204154116.db2.gz	GYDRFDXVHHUERI-FQEVSTJZSA-N	-1	0	388.372	1.999	1	0		GDAFRM
CC1(C)S[C@H]2[C@@H](N3C(=O)[C@H](c4ccccc4)NC3(C)C)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000011615970	204348137	/nfs/dbraw/zinc/34/81/37/204348137.db2.gz	DXVUYOAEDJXBPY-JFILPPLUSA-N	-1	0	389.477	1.411	1	0		GDAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(N)c(N3CCN(c4ccccn4)CC3)cc21	ZINC000001488509	206384671	/nfs/dbraw/zinc/38/46/71/206384671.db2.gz	JZAYPNOYPQPYNB-UHFFFAOYSA-N	-1	0	379.420	1.541	1	0		GDAFRM
[NH3+][C@]1(C(=O)[O-])[C@H]2[C@@H](C[C@H]1OCc1cccc(C(F)(F)F)c1)[C@]2(F)C(=O)[O-]	ZINC000013582153	206981802	/nfs/dbraw/zinc/98/18/02/206981802.db2.gz	RDVSARZWUJFDKS-ZNLHFFCSSA-N	-1	0	377.290	1.815	1	0		GDAFRM
COc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Cl)CS[C@H]12	ZINC000026157216	207310758	/nfs/dbraw/zinc/31/07/58/207310758.db2.gz	GMOPUMKBSNSGBR-IUODEOHRSA-N	-1	0	382.825	1.173	1	0		GDAFRM
O=C([O-])[C@@H]1CN(CCC[P@](=O)([O-])O)CC[NH+]1CCCCc1ccccc1	ZINC000026732958	207318192	/nfs/dbraw/zinc/31/81/92/207318192.db2.gz	NBHNHPDIMGRAMB-KRWDZBQOSA-N	-1	0	384.413	1.648	1	0		GDAFRM
CCCCN1CCS[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc2ccccc2)C1=O	ZINC000026387303	207312862	/nfs/dbraw/zinc/31/28/62/207312862.db2.gz	HXKJHDYNFWGCHF-HOTGVXAUSA-N	-1	0	378.494	1.933	1	0		GDAFRM
C/C(=C\NC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	ZINC000028253922	207337734	/nfs/dbraw/zinc/33/77/34/207337734.db2.gz	GETDZIUHRCVXRH-HLLGDPNASA-N	-1	0	375.450	1.862	1	0		GDAFRM
COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc(O)c(C(=O)[O-])c3O[C@@H]1CO2	ZINC000003197508	560188693	/nfs/dbraw/zinc/18/86/93/560188693.db2.gz	OCHPVPSALUKLOM-AUUYWEPGSA-N	-1	0	388.328	1.332	3	0	in-vitro	GDAFRM
N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])cc21	ZINC000002008984	206396011	/nfs/dbraw/zinc/39/60/11/206396011.db2.gz	MWEYSFQTTAFUFL-LBPRGKRZSA-N	-1	0	397.844	1.431	1	0		GDAFRM
CCOC(=O)N1CCN(CCn2c([O-])nc3c4ccccc4[nH]c3c2=O)CC1	ZINC000013822188	207001725	/nfs/dbraw/zinc/00/17/25/207001725.db2.gz	ZIHPQZZASJCSAD-UHFFFAOYSA-N	-1	0	385.424	1.358	1	0		GDAFRM
[NH3+][C@@H](/C=C(\CCCCCCNC(=O)c1ccccc1)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013834048	207003221	/nfs/dbraw/zinc/00/32/21/207003221.db2.gz	GPBNGQRQDSZURG-GRNBYLDVSA-N	-1	0	398.396	1.883	1	0		GDAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]2SC[C@@H](C(=O)[O-])N2C1=O	ZINC000026476250	207314539	/nfs/dbraw/zinc/31/45/39/207314539.db2.gz	ZWHXNABGNKHSNF-FXUDXRNXSA-N	-1	0	392.477	1.569	1	0		GDAFRM
NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1	ZINC000027639598	207329380	/nfs/dbraw/zinc/32/93/80/207329380.db2.gz	QEFQOKYISLSUBU-SFHVURJKSA-N	-1	0	398.440	1.913	1	0		GDAFRM
O=C([O-])CNC(=O)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@@H]2C1	ZINC000040891664	207613207	/nfs/dbraw/zinc/61/32/07/207613207.db2.gz	SNVLZTHDLTZNON-KRWDZBQOSA-N	-1	0	395.415	1.861	1	0		GDAFRM
O=C([O-])[C@H]1[C@@H](C(=O)[O-])[NH2+]CCN1C(=O)c1ccc(CCc2ccccc2)cc1	ZINC000082148885	208082073	/nfs/dbraw/zinc/08/20/73/208082073.db2.gz	INAKTDQXBPZAQJ-ZWKOTPCHSA-N	-1	0	382.416	1.424	1	0		GDAFRM
COc1ccc([C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C(CO)CO)cc1O	ZINC000095591701	208235923	/nfs/dbraw/zinc/23/59/23/208235923.db2.gz	MYACVXQAJCXMKH-RBUKOAKNSA-N	-1	0	390.388	1.563	1	0		GDAFRM
O=C([O-])c1cn(C2CC2)c2nc(N3CC[C@H]4NC(=O)O[C@@H]4C3)c(F)cc2c1=O	ZINC000095591320	136182415	/nfs/dbraw/zinc/18/24/15/136182415.db2.gz	ULCUDPQJBSUITF-CHWSQXEVSA-N	-1	0	388.355	1.256	1	0		GDAFRM
C[C@H](O)CNC(=O)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2n(C)c1=O	ZINC000103097720	518183671	/nfs/dbraw/zinc/18/36/71/518183671.db2.gz	JRJOAWBBGFRSKN-NSHDSACASA-N	-1	0	385.395	1.480	1	0		GDAFRM
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3c[nH]c4ccccc34)[n-]c2=O)cc1OC	ZINC000028011590	207333653	/nfs/dbraw/zinc/33/36/53/207333653.db2.gz	QRNGDVVTRCNUDO-YYIZJUOFSA-N	-1	0	389.411	1.219	1	0		GDAFRM
O=c1cnn(-c2ccc(S(=O)(=O)Cc3ccc(Cl)cc3)cc2)c(=O)[n-]1	ZINC000028764137	207348018	/nfs/dbraw/zinc/34/80/18/207348018.db2.gz	TXDWIDXKWBUVKS-UHFFFAOYSA-N	-1	0	377.809	1.548	1	0		GDAFRM
CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)c(F)c2)C(=O)O1	ZINC000101363681	208393200	/nfs/dbraw/zinc/39/32/00/208393200.db2.gz	JCZIXVZWIUPUNL-BCUIYNNISA-N	-1	0	377.372	1.054	1	0		GDAFRM
O=C([O-])[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H]2SC[C@@H](C(=O)[O-])N2C1=O	ZINC000026939995	207320507	/nfs/dbraw/zinc/32/05/07/207320507.db2.gz	ZWHXNABGNKHSNF-VGWMRTNUSA-N	-1	0	392.477	1.569	1	0		GDAFRM
Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1	ZINC000096284681	208302372	/nfs/dbraw/zinc/30/23/72/208302372.db2.gz	QSDUBKGACVQPAR-UHFFFAOYSA-N	-1	0	378.406	1.658	1	0		GDAFRM
CCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCC(C(N)=O)CC3)cc21	ZINC000084668657	136175012	/nfs/dbraw/zinc/17/50/12/136175012.db2.gz	VBTHYTLXDSJFMT-UHFFFAOYSA-N	-1	0	375.400	1.951	1	0		GDAFRM
Cn1cc(Br)c(C(=O)[N-]N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)n1	ZINC000000998582	206340997	/nfs/dbraw/zinc/34/09/97/206340997.db2.gz	FQHGSRAUQYSPAW-CBZSFBHOSA-N	-1	0	391.225	1.025	1	0		GDAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000004876289	206565795	/nfs/dbraw/zinc/56/57/95/206565795.db2.gz	VEMZETUVPOVKDJ-UHFFFAOYSA-N	-1	0	381.388	1.986	1	0		GDAFRM
O=C([O-])c1cn(-c2ccc(F)cc2)c2nc(N3CC[C@H](O)C3)c(F)cc2c1=O	ZINC000026474047	207314499	/nfs/dbraw/zinc/31/44/99/207314499.db2.gz	YPDHGUMPICIPQO-LBPRGKRZSA-N	-1	0	387.342	1.933	1	0		GDAFRM
C[C@]12CC(=O)[C@H]3[C@H](CCC(=O)[C@]3(C)C(=O)[O-])[C@@H]1CC[C@@]21OCO[C@@]12COCO2	ZINC000027519801	207325518	/nfs/dbraw/zinc/32/55/18/207325518.db2.gz	JHIUUDFRMGSNKB-UNAWXXOASA-N	-1	0	394.420	1.505	1	0		GDAFRM
NS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000027642566	207328922	/nfs/dbraw/zinc/32/89/22/207328922.db2.gz	QBCQPXMHHFJBQB-AWEZNQCLSA-N	-1	0	382.825	1.413	1	0		GDAFRM
NS(=O)(=O)c1ccc(C(=O)c2cccc(C(=O)[O-])n2)c(Br)c1	ZINC000027519679	207325908	/nfs/dbraw/zinc/32/59/08/207325908.db2.gz	YERPFZQOLXRYOQ-UHFFFAOYSA-N	-1	0	385.195	1.421	1	0		GDAFRM
CC(C)(CC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)Oc1ccccc1C(=O)[O-]	ZINC000029133235	207357947	/nfs/dbraw/zinc/35/79/47/207357947.db2.gz	NGWHIRFCNJHCAP-SNVBAGLBSA-N	-1	0	386.313	1.882	1	0		GDAFRM
CCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)n2nc(C)cc2C)cc1	ZINC000029407214	207363678	/nfs/dbraw/zinc/36/36/78/207363678.db2.gz	XRUFJJPJVXGJQV-UHFFFAOYSA-N	-1	0	379.442	1.978	1	0		GDAFRM
COc1ccc(C2(C(=O)[O-])CCCCC2)cc1[C@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O	ZINC000095556728	208233111	/nfs/dbraw/zinc/23/31/11/208233111.db2.gz	SANMMVNFDQCBRW-LHERFTEXSA-N	-1	0	380.437	1.524	1	0		GDAFRM
Cn1c(=O)c(C(=O)NCCCO)c([O-])c2ncc(Cc3ccc(F)cc3)cc21	ZINC000103103715	208415169	/nfs/dbraw/zinc/41/51/69/208415169.db2.gz	XGKQXPNWENYBRG-UHFFFAOYSA-N	-1	0	385.395	1.481	1	0		GDAFRM
CCN(Cc1cc(C(F)(F)F)cc2[nH]c(=O)c(=O)[nH]c12)[C@@H](C)[P@@](=O)([O-])O	ZINC000001546578	206385864	/nfs/dbraw/zinc/38/58/64/206385864.db2.gz	UMABTHKGGDBYKA-SSDOTTSWSA-N	-1	0	395.274	1.581	1	0		GDAFRM
C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])C1	ZINC000006736722	206668230	/nfs/dbraw/zinc/66/82/30/206668230.db2.gz	HLIWOYCEBYADNX-CYBMUJFWSA-N	-1	0	380.466	1.861	1	0		GDAFRM
CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(-n2ncc(=O)[n-]c2=O)cc1	ZINC000026021395	207309225	/nfs/dbraw/zinc/30/92/25/207309225.db2.gz	IDYYIQOBERWHHU-UHFFFAOYSA-N	-1	0	380.470	1.414	1	0		GDAFRM
O=C([O-])CN1c2ccccc2C[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])C1=O	ZINC000029313239	207359737	/nfs/dbraw/zinc/35/97/37/207359737.db2.gz	DZPYFCWSVRRDOF-IRXDYDNUSA-N	-1	0	382.416	1.705	1	0		GDAFRM
COc1cc(OC)nc([C@@H](O)c2c(F)cccc2[N-]S(=O)(=O)C(F)F)n1	ZINC000103182450	208417497	/nfs/dbraw/zinc/41/74/97/208417497.db2.gz	MLFUVUMWOHMBBA-LBPRGKRZSA-N	-1	0	393.343	1.679	1	0		GDAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C[C@@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000033954674	571747606	/nfs/dbraw/zinc/74/76/06/571747606.db2.gz	SAAOVBGAFHJPIF-CWAKKXHSSA-N	-1	0	388.501	1.209	1	0	endogenous,in-man	GDAFRM
C[C@H](N[C@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O)c1ccccc1	ZINC000001910664	206394310	/nfs/dbraw/zinc/39/43/10/206394310.db2.gz	FBOPVIWMYMFESR-BTDLBPIBSA-N	-1	0	375.321	1.744	1	0		GDAFRM
O=c1cnn(-c2ccc(S(=O)(=O)NC3CCCCC3)c(Cl)c2)c(=O)[n-]1	ZINC000026022396	207309446	/nfs/dbraw/zinc/30/94/46/207309446.db2.gz	CLWZUTKNMPMBDQ-UHFFFAOYSA-N	-1	0	384.845	1.185	1	0		GDAFRM
O=C([O-])CCC(=O)N1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12	ZINC000026739905	207317196	/nfs/dbraw/zinc/31/71/96/207317196.db2.gz	BOQFUYKZJQRGJD-HXUWFJFHSA-N	-1	0	378.388	1.734	1	0		GDAFRM
C[C@]1(CSc2nc3ccccc3o2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O	ZINC000026375999	207313253	/nfs/dbraw/zinc/31/32/53/207313253.db2.gz	QOMLCKUMUUKMOX-XUJVJEKNSA-N	-1	0	382.419	1.119	1	0		GDAFRM
O=C([O-])c1cn(-c2ccc(F)cc2)c2nc(N3CC[C@@H](O)C3)c(F)cc2c1=O	ZINC000026474040	207314066	/nfs/dbraw/zinc/31/40/66/207314066.db2.gz	YPDHGUMPICIPQO-GFCCVEGCSA-N	-1	0	387.342	1.933	1	0		GDAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2ccccc2)cc1Cl	ZINC000040640624	207602204	/nfs/dbraw/zinc/60/22/04/207602204.db2.gz	DNYMINNURZBBHO-UHFFFAOYSA-N	-1	0	376.843	1.846	1	0		GDAFRM
O=C([O-])c1cn(C2CC2)c2nc(N3C[C@H]4C[C@@H]3C[S@]4=O)c(F)cc2c1=O	ZINC000058598679	207782406	/nfs/dbraw/zinc/78/24/06/207782406.db2.gz	OLFHLKXEKINOMA-NFWWYOGNSA-N	-1	0	377.397	1.278	1	0		GDAFRM
Nc1ncc(CNc2nc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)c(N)n1	ZINC000084616154	208094061	/nfs/dbraw/zinc/09/40/61/208094061.db2.gz	VRLRJBATFPTJLW-UHFFFAOYSA-N	-1	0	385.359	1.135	1	0		GDAFRM
O=C([O-])c1cn(C2CC2)c2cc(-n3cc(Cn4ccnc4)nn3)c(F)cc2c1=O	ZINC000098081952	208368208	/nfs/dbraw/zinc/36/82/08/208368208.db2.gz	RYIHMOXXDTXFLG-UHFFFAOYSA-N	-1	0	394.366	1.999	1	0		GDAFRM
O=C1CCCC2(C(=O)[N-]C(=O)NC2=O)N1c1ccc(Oc2ccc(F)cc2)nc1	ZINC000003972083	581099558	/nfs/dbraw/zinc/09/95/58/581099558.db2.gz	GTZIJWRUYJNVLH-UHFFFAOYSA-N	-1	0	398.350	1.635	1	0		GDAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)CC[C@H]1C(=O)[O-]	ZINC000029344329	206304055	/nfs/dbraw/zinc/30/40/55/206304055.db2.gz	KRNSPQJSDVYTBC-BPUTZDHNSA-N	-1	0	390.436	1.131	1	0		GDAFRM
C[C@H]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(CCO)CC4)cc3n21	ZINC000027525194	207325127	/nfs/dbraw/zinc/32/51/27/207325127.db2.gz	DRCJWYSQCKXGGG-SNVBAGLBSA-N	-1	0	393.440	1.577	1	0		GDAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)CC[C@H]1C(=O)[O-]	ZINC000005856753	581096074	/nfs/dbraw/zinc/09/60/74/581096074.db2.gz	KRNSPQJSDVYTBC-BMFZPTHFSA-N	-1	0	390.436	1.131	1	0		GDAFRM
Cn1c(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc2ccc(=O)[nH]c21	ZINC000013907666	207004085	/nfs/dbraw/zinc/00/40/85/207004085.db2.gz	WEEPXEIATGBQQK-CYBMUJFWSA-N	-1	0	384.417	1.735	1	0		GDAFRM
C/C(=C\NC(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])c1ccccc1	ZINC000028253905	207337782	/nfs/dbraw/zinc/33/77/82/207337782.db2.gz	GETDZIUHRCVXRH-NXBVOPPISA-N	-1	0	375.450	1.862	1	0		GDAFRM
COc1cc(OC)nc([C@@H](O)c2ccccc2[N-]S(=O)(=O)C(F)F)n1	ZINC000103184253	208417749	/nfs/dbraw/zinc/41/77/49/208417749.db2.gz	XDDBYOXTSTWKEE-LBPRGKRZSA-N	-1	0	375.353	1.540	1	0		GDAFRM
O=C([O-])C[C@@H]1Nc2ccc(C(=O)NCc3nc4ccccc4[nH]3)cc2CNC1=O	ZINC000026845309	207319017	/nfs/dbraw/zinc/31/90/17/207319017.db2.gz	OORKISXHRJDTFL-INIZCTEOSA-N	-1	0	393.403	1.378	1	0		GDAFRM
CCCC(=O)N1C[C@H]([N@H+](C)CC(=O)[O-])C[C@H]1C(=O)Oc1ccccc1C(=O)[O-]	ZINC000027632937	207328213	/nfs/dbraw/zinc/32/82/13/207328213.db2.gz	ZZZJNXSUJBNLNQ-OCCSQVGLSA-N	-1	0	392.408	1.076	1	0		GDAFRM
COc1ccc(Cc2nnc3sc(-c4cc([O-])[nH]c(=O)c4)nn23)cc1OC	ZINC000028712870	207346006	/nfs/dbraw/zinc/34/60/06/207346006.db2.gz	KTINSBZOPFNGIZ-UHFFFAOYSA-N	-1	0	385.405	1.855	1	0		GDAFRM
Cc1ccc(/C=C/NC(=O)N[C@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1	ZINC000028254487	207337545	/nfs/dbraw/zinc/33/75/45/207337545.db2.gz	GDWHDDUYVYIPTN-SBAGYMOZSA-N	-1	0	375.450	1.780	1	0		GDAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2cccc(C(N)=O)c2)cc1)C(=O)[O-]	ZINC000073141621	208033723	/nfs/dbraw/zinc/03/37/23/208033723.db2.gz	CORPQPYWXVDQCJ-MRXNPFEDSA-N	-1	0	376.434	1.840	1	0		GDAFRM
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1-c1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000169335199	208730882	/nfs/dbraw/zinc/73/08/82/208730882.db2.gz	UTAHINQGVLUBJO-UHFFFAOYSA-N	-1	0	395.437	1.564	1	0		GDAFRM
O=C1CCC2(C(=O)[N-]C(=O)NC2=O)N1c1ccc(Oc2ccc(F)cc2)nc1	ZINC000001494792	206384781	/nfs/dbraw/zinc/38/47/81/206384781.db2.gz	XTGSXSLCZLEGOR-UHFFFAOYSA-N	-1	0	384.323	1.245	1	0		GDAFRM
CC(=O)Nc1nc2ncc(CCN(C)c3ccc(C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000001721813	206390172	/nfs/dbraw/zinc/39/01/72/206390172.db2.gz	CLUYOQSENFIUNI-UHFFFAOYSA-N	-1	0	382.380	1.049	1	0		GDAFRM
C[C@@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(C=O)CC4)c(c32)S1	ZINC000027100643	207323065	/nfs/dbraw/zinc/32/30/65/207323065.db2.gz	DYUZJVWCVUBRRM-SNVBAGLBSA-N	-1	0	391.424	1.611	1	0		GDAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc(Cn4ccccc4=N)cc3)C[C@H]12	ZINC000026288165	207312066	/nfs/dbraw/zinc/31/20/66/207312066.db2.gz	KMBQLIZGARKFKD-XHBKTUGNSA-O	-1	0	380.424	1.012	1	0		GDAFRM
CC1(C)S[C@H]2[C@@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028244172	207337911	/nfs/dbraw/zinc/33/79/11/207337911.db2.gz	SJMCOEQIDCPYBB-BIGJJFBESA-N	-1	0	375.450	1.357	1	0		GDAFRM
CC(C)[C@H](OC(=O)Nc1ccc(F)cc1)C(=O)N[C@H](CC(=O)[O-])C(=O)CF	ZINC000028331391	207341467	/nfs/dbraw/zinc/34/14/67/207341467.db2.gz	VVQLJLMWLQLISU-DOMZBBRYSA-N	-1	0	386.351	1.897	1	0		GDAFRM
O=C([O-])[C@H]1CN(CCC[P@](=O)([O-])O)CC[NH+]1CCCCc1ccccc1	ZINC000026732962	207317603	/nfs/dbraw/zinc/31/76/03/207317603.db2.gz	NBHNHPDIMGRAMB-QGZVFWFLSA-N	-1	0	384.413	1.648	1	0		GDAFRM
O=C([O-])C[C@H]1CCc2cc(I)cc3[nH]c(=O)c(=O)n1c23	ZINC000029326672	207361289	/nfs/dbraw/zinc/36/12/89/207361289.db2.gz	OACXOEWXZVHOKN-MRVPVSSYSA-N	-1	0	386.145	1.256	1	0		GDAFRM
NS(=O)(=O)[C@@H](Cc1ccc(NC(=O)C(=O)[O-])cc1)c1nc2ccccc2o1	ZINC000096258562	208295094	/nfs/dbraw/zinc/29/50/94/208295094.db2.gz	OZAVAHJFAGTZBU-AWEZNQCLSA-N	-1	0	389.389	1.423	1	0		GDAFRM
COCCn1c2ccccc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O	ZINC000101036507	208385647	/nfs/dbraw/zinc/38/56/47/208385647.db2.gz	IIGWBXJSYAZDRJ-UHFFFAOYSA-N	-1	0	399.428	1.915	1	0		GDAFRM
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN[C@H](CF)C3)nc21	ZINC000028765667	207348210	/nfs/dbraw/zinc/34/82/10/207348210.db2.gz	AEJVTXMAKDPVPR-SNVBAGLBSA-N	-1	0	380.395	1.737	1	0		GDAFRM
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1OS(=O)(=O)[O-]	ZINC000095617850	571796548	/nfs/dbraw/zinc/79/65/48/571796548.db2.gz	AXWNOFHBYPBYNO-ZDUSSCGKSA-N	-1	0	382.346	1.995	1	0	endogenous,in-man	GDAFRM
COc1c(O)c2c([O-])cc(C)c3c2c(c1O)C(=O)[C@@](O)(C(C)(C)C(C)=O)C3=O	ZINC000001635323	206260352	/nfs/dbraw/zinc/26/03/52/206260352.db2.gz	GYDRFDXVHHUERI-HXUWFJFHSA-N	-1	0	388.372	1.999	1	0		GDAFRM
O=C([O-])CS(=O)(=O)c1ccc(-c2cccc(C(=O)N3CCOCC3)c2)cc1	ZINC000003600333	206291512	/nfs/dbraw/zinc/29/15/12/206291512.db2.gz	UCMBDRQALYRYLV-UHFFFAOYSA-N	-1	0	389.429	1.684	1	0		GDAFRM
CN(C)C(=O)C(F)(F)[C@H](c1ccc(F)cc1)c1c([O-])n(C)c(=O)n(C)c1=O	ZINC000001654931	206388906	/nfs/dbraw/zinc/38/89/06/206388906.db2.gz	PMLQPWXQROUZAI-GFCCVEGCSA-N	-1	0	385.342	1.299	1	0		GDAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)CC[C@H]1C(=O)[O-]	ZINC000005857437	206631396	/nfs/dbraw/zinc/63/13/96/206631396.db2.gz	KRNSPQJSDVYTBC-KBMXLJTQSA-N	-1	0	390.436	1.131	1	0		GDAFRM
O=C1NC[C@@]2(C(=O)[N-]C(=O)NC2=O)N1c1ccc(Oc2ccc(F)cc2)nc1	ZINC000028960299	207352829	/nfs/dbraw/zinc/35/28/29/207352829.db2.gz	DJCAIEAYZGFFDA-UHFFFAOYSA-N	-1	0	385.311	1.488	1	0		GDAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(-n3cnc(C(=O)N(C)C)c3)c(F)c21	ZINC000026277937	207312376	/nfs/dbraw/zinc/31/23/76/207312376.db2.gz	PKWYXASEWQQJAE-UHFFFAOYSA-N	-1	0	390.346	1.885	1	0		GDAFRM
CC(C)[C@H](OC(=O)Nc1cccc(F)c1)C(=O)N[C@H](CC(=O)[O-])C(=O)CF	ZINC000028330557	207340681	/nfs/dbraw/zinc/34/06/81/207340681.db2.gz	YCRXYJBYZJTQSW-DOMZBBRYSA-N	-1	0	386.351	1.897	1	0		GDAFRM
Cc1cc(C(=O)N[C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])C(C)C)no1	ZINC000095556470	208232183	/nfs/dbraw/zinc/23/21/83/208232183.db2.gz	SNIIQQXQYUYPCS-HOTGVXAUSA-N	-1	0	391.399	1.689	1	0		GDAFRM
CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)[O-])CC[C@@H]21	ZINC000095794837	222360815	/nfs/dbraw/zinc/36/08/15/222360815.db2.gz	QDKBQDQQAVASEY-UKPHBRMFSA-N	-1	0	388.420	1.890	1	0		GDAFRM
[NH3+][C@H](/C=C(\CCCCCCNC(=O)c1ccccc1)C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013834049	210094317	/nfs/dbraw/zinc/09/43/17/210094317.db2.gz	GPBNGQRQDSZURG-WCRPCQDQSA-N	-1	0	398.396	1.883	1	0		GDAFRM
CC(C)(CO)NC(=O)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O	ZINC000095593262	211280198	/nfs/dbraw/zinc/28/01/98/211280198.db2.gz	UMJDGJBTISXJDU-UHFFFAOYSA-N	-1	0	385.395	1.859	1	0		GDAFRM
Nn1c(SCC(=O)[O-])nnc1-c1ccc(S(=O)(=O)c2ccccc2)cc1	ZINC000053314023	210873243	/nfs/dbraw/zinc/87/32/43/210873243.db2.gz	RFHHGRDHQPJSOG-UHFFFAOYSA-N	-1	0	390.446	1.668	1	0		GDAFRM
O=C([O-])c1cccc(CNC(=O)CSc2nnn(-c3ccc(O)cc3)n2)c1	ZINC000040763086	210794951	/nfs/dbraw/zinc/79/49/51/210794951.db2.gz	UBVABOWRJKBLFL-UHFFFAOYSA-N	-1	0	385.405	1.475	1	0		GDAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)CC[C@H]1C(=O)[O-]	ZINC000036153378	209247178	/nfs/dbraw/zinc/24/71/78/209247178.db2.gz	KRNSPQJSDVYTBC-IMJJTQAJSA-N	-1	0	390.436	1.131	1	0		GDAFRM
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1CC(=C2C(=O)[N-]C(=O)NC2=O)NN1	ZINC000102828446	211418040	/nfs/dbraw/zinc/41/80/40/211418040.db2.gz	DMNLQBDXMFTSGY-JTQLQIEISA-N	-1	0	386.799	1.207	1	0		GDAFRM
O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)[N-]C2=O)Nc1ccc(F)cc1	ZINC000013683300	210079210	/nfs/dbraw/zinc/07/92/10/210079210.db2.gz	JPTRMYRZRUNJML-UHFFFAOYSA-N	-1	0	383.335	1.636	1	0		GDAFRM
Cc1c(CCC(=O)[O-])c[nH]c1/C=C1/c2cc(S(N)(=O)=O)ccc2NC1=O	ZINC000003815552	209454202	/nfs/dbraw/zinc/45/42/02/209454202.db2.gz	YLOCIDYFMMJTMC-QPEQYQDCSA-N	-1	0	375.406	1.480	1	0		GDAFRM
O=C([O-])CC(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872251	211282845	/nfs/dbraw/zinc/28/28/45/211282845.db2.gz	AACYTZIYRDWUSU-QGZVFWFLSA-N	-1	0	378.384	1.883	1	0		GDAFRM
O=C([O-])CC(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872252	211282857	/nfs/dbraw/zinc/28/28/57/211282857.db2.gz	AACYTZIYRDWUSU-KRWDZBQOSA-N	-1	0	378.384	1.883	1	0		GDAFRM
NS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1Cl	ZINC000029476403	210547911	/nfs/dbraw/zinc/54/79/11/210547911.db2.gz	UMFDXGBKSZDUEU-ZDUSSCGKSA-N	-1	0	398.824	1.119	1	0		GDAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4n5c3c2SC[C@@H]5CO4)CC1	ZINC000013600156	210070423	/nfs/dbraw/zinc/07/04/23/210070423.db2.gz	UHLGRWWQBLEFKT-VIFPVBQESA-N	-1	0	391.424	1.630	1	0		GDAFRM
C[C@@H]1C[C@@H](O)[C@H]2C=C[C@H](CC(=O)Cc3c(Cl)c([O-])cc(O)c3C(=O)O1)O2	ZINC000096902411	211350916	/nfs/dbraw/zinc/35/09/16/211350916.db2.gz	QQPHIAUHVZLJOT-SJAJALHSSA-N	-1	0	382.796	1.886	1	0		GDAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000005820802	571690210	/nfs/dbraw/zinc/69/02/10/571690210.db2.gz	SAAOVBGAFHJPIF-IXPRNCCBSA-N	-1	0	388.501	1.209	1	0	endogenous,in-man	GDAFRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000028109882	581096019	/nfs/dbraw/zinc/09/60/19/581096019.db2.gz	KRNSPQJSDVYTBC-NUEKZKHPSA-N	-1	0	390.436	1.131	1	0		GDAFRM
O=C([O-])C[C@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825328	581096390	/nfs/dbraw/zinc/09/63/90/581096390.db2.gz	LNKDHNRBMPZRNV-ZNMIVQPWSA-N	-1	0	394.399	1.580	1	0		GDAFRM
CC(C)(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000004216656	209232136	/nfs/dbraw/zinc/23/21/36/209232136.db2.gz	CHEBXWARWMFQKF-MBNYWOFBSA-N	-1	0	378.450	1.476	1	0	in-man	GDAFRM
COc1cc(OC)nc([C@H](O)c2ccc(C)cc2[N-]S(=O)(=O)C(F)F)n1	ZINC000103176336	211420704	/nfs/dbraw/zinc/42/07/04/211420704.db2.gz	GQLYBZXGGBBDFK-CYBMUJFWSA-N	-1	0	389.380	1.848	1	0		GDAFRM
NS(=O)(=O)[C@H](Cc1ccc(NC(=O)C(=O)[O-])cc1)c1nc2ccccc2o1	ZINC000096258560	211324368	/nfs/dbraw/zinc/32/43/68/211324368.db2.gz	OZAVAHJFAGTZBU-CQSZACIVSA-N	-1	0	389.389	1.423	1	0		GDAFRM
O=C1OC[C@@H]([C@H](O)c2ccc3c(c2)OCO3)C1=C([O-])c1ccc2c(c1)OCO2	ZINC000066259036	211002962	/nfs/dbraw/zinc/00/29/62/211002962.db2.gz	VFLHIZSORMIUMV-OCBCSQNSSA-N	-1	0	384.340	1.850	1	0	in-vitro	GDAFRM
CC1(C)S[C@@H]2[C@H](NC(=O)N[C@@H]3C[C@@H]3c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000028244181	221671126	/nfs/dbraw/zinc/67/11/26/221671126.db2.gz	SJMCOEQIDCPYBB-XLFUENPSSA-N	-1	0	375.450	1.357	1	0		GDAFRM
COc1ccc(S(=O)(=O)N2Cc3cc(N)ccc3C[C@@H]2C(=O)C(=O)[O-])cc1	ZINC000013797780	210091467	/nfs/dbraw/zinc/09/14/67/210091467.db2.gz	SDOLDYMSRUFDDY-MRXNPFEDSA-N	-1	0	390.417	1.047	1	0		GDAFRM
Nc1c(Br)c(=O)[nH]c(=O)n1CCCCCCCC[P@@](=O)([O-])O	ZINC000013558088	210066808	/nfs/dbraw/zinc/06/68/08/210066808.db2.gz	WOBYFPKSIPWTJD-UHFFFAOYSA-N	-1	0	398.194	1.400	1	0		GDAFRM
O=C([O-])C[C@@H]1N[C@@H](/C(=C/c2ccccc2O)NC(=O)c2ccccc2)OC1=O	ZINC000005835199	209617775	/nfs/dbraw/zinc/61/77/75/209617775.db2.gz	AJBNWPRTBYQALF-VYWUCYSYSA-N	-1	0	382.372	1.479	1	0		GDAFRM
CSCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1	ZINC000027752270	210517038	/nfs/dbraw/zinc/51/70/38/210517038.db2.gz	XGCZJDZFYNKVIK-BXUZGUMPSA-N	-1	0	384.504	1.392	1	0		GDAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+][C@@H](C(=O)[O-])C3)c(F)cc2c1=O	ZINC000095586910	136182394	/nfs/dbraw/zinc/18/23/94/136182394.db2.gz	QJZVWIRZVZHXHX-CYBMUJFWSA-N	-1	0	375.356	1.037	1	0		GDAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH2+][C@H](C(=O)[O-])C3)c(F)cc2c1=O	ZINC000095586909	136182410	/nfs/dbraw/zinc/18/24/10/136182410.db2.gz	QJZVWIRZVZHXHX-ZDUSSCGKSA-N	-1	0	375.356	1.037	1	0		GDAFRM
C[C@@H]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(CCO)CC4)cc3n21	ZINC000027525193	210513580	/nfs/dbraw/zinc/51/35/80/210513580.db2.gz	DRCJWYSQCKXGGG-JTQLQIEISA-N	-1	0	393.440	1.577	1	0		GDAFRM
Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000061904215	210930855	/nfs/dbraw/zinc/93/08/55/210930855.db2.gz	WAWDCWAMVKPAIF-SFHVURJKSA-N	-1	0	391.449	1.710	3	0		GDAFRM
O=C([O-])c1cc(CN2CCN(c3ccccc3)C(=O)C2)c2ccccn2c1=O	ZINC000084671420	136175120	/nfs/dbraw/zinc/17/51/20/136175120.db2.gz	MMOYCRVZSALJKA-UHFFFAOYSA-N	-1	0	377.400	1.847	1	0		GDAFRM
Nc1ncnc2c1ncn2C[C@H](CO)C[C@@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001633689	209335304	/nfs/dbraw/zinc/33/53/04/209335304.db2.gz	NAVKJVURJYZGQN-YPMHNXCESA-N	-1	0	377.341	1.326	1	0		GDAFRM
CCOC(=O)[C@H]1[C@H](c2ccc(C(=O)[O-])cc2)NC(=O)N[C@@]1(O)C(F)(F)F	ZINC000013144781	211696630	/nfs/dbraw/zinc/69/66/30/211696630.db2.gz	NSYSPZQPINRYSS-BFVZDQMLSA-N	-1	0	376.287	1.169	1	0		GDAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)c2ccco2)c1	ZINC000061904230	210930321	/nfs/dbraw/zinc/93/03/21/210930321.db2.gz	CUTGHAURGPMPSS-QGZVFWFLSA-N	-1	0	380.397	1.837	3	0		GDAFRM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(Br)c1	ZINC000013835281	210093292	/nfs/dbraw/zinc/09/32/92/210093292.db2.gz	MBOJZBMZBFEPNB-UHFFFAOYSA-N	-1	0	383.167	1.358	1	0		GDAFRM
COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3ccc(O)c(C(=O)[O-])c3O[C@@H]1CO2	ZINC000003197505	209415653	/nfs/dbraw/zinc/41/56/53/209415653.db2.gz	OCHPVPSALUKLOM-KUHUBIRLSA-N	-1	0	388.328	1.332	3	0	in-vitro	GDAFRM
O=C([O-])c1sc(N2CCOCC2)nc1CC(=O)N1CCc2cc(F)ccc21	ZINC000103240861	211424957	/nfs/dbraw/zinc/42/49/57/211424957.db2.gz	CAVORXGEZDVODE-UHFFFAOYSA-N	-1	0	391.424	1.949	1	0		GDAFRM
C[C@@H](O)[C@H]1C(=O)N2[C@@H]1C[C@@H](c1ccc3c(c1)c1ccncc1n3C)[C@H]2C(=O)[O-]	ZINC000027865932	210518345	/nfs/dbraw/zinc/51/83/45/210518345.db2.gz	NXMVROGJJHYNPP-GDNDLEJRSA-N	-1	0	379.416	1.875	1	0		GDAFRM
COC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)OC(C)(C)C	ZINC000014952705	210131248	/nfs/dbraw/zinc/13/12/48/210131248.db2.gz	QFVBCBVYXYQXAP-ZDUSSCGKSA-N	-1	0	386.426	1.736	1	0		GDAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4n5c3c2OC[C@H]5CS4)CC1	ZINC000013600141	210071108	/nfs/dbraw/zinc/07/11/08/210071108.db2.gz	HRLDMNRXOINEFN-VIFPVBQESA-N	-1	0	391.424	1.630	1	0		GDAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc2c(c1)OCO2	ZINC000013125858	210052298	/nfs/dbraw/zinc/05/22/98/210052298.db2.gz	UZGKOWUUYKQSBC-INIZCTEOSA-N	-1	0	376.365	1.793	3	0		GDAFRM
Nc1nc2c(ncn2Cc2cccc(CSC[P@@](=O)([O-])O)c2)c(=O)[nH]1	ZINC000001534068	209331996	/nfs/dbraw/zinc/33/19/96/209331996.db2.gz	FOFBSKVVLYSISQ-UHFFFAOYSA-N	-1	0	381.354	1.119	1	0		GDAFRM
CC1(C)N[C@@H](c2ccccc2)C(=O)N1[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000002038152	209344102	/nfs/dbraw/zinc/34/41/02/209344102.db2.gz	DXVUYOAEDJXBPY-WFGGJUAMSA-N	-1	0	389.477	1.411	1	0		GDAFRM
CC[C@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2cc(C(=O)[O-])ccc2cc1C3	ZINC000001611351	209334324	/nfs/dbraw/zinc/33/43/24/209334324.db2.gz	PBJNDOBXKLCFOW-OAQYLSRUSA-N	-1	0	392.367	1.778	1	0		GDAFRM
O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccc(-c4nn[nH]n4)cc3C2)c1	ZINC000095556648	211276788	/nfs/dbraw/zinc/27/67/88/211276788.db2.gz	PMSHYANKBLXDSH-UHFFFAOYSA-N	-1	0	385.405	1.312	1	0		GDAFRM
CC1(C)N[C@H](c2ccccc2)C(=O)N1[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000011615974	209876710	/nfs/dbraw/zinc/87/67/10/209876710.db2.gz	DXVUYOAEDJXBPY-JXFSHQFZSA-N	-1	0	389.477	1.411	1	0		GDAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3cccc(Cn4ccccc4=N)c3)C[C@H]12	ZINC000028087518	210520535	/nfs/dbraw/zinc/52/05/35/210520535.db2.gz	JDOBREZCJOEZIT-XHBKTUGNSA-O	-1	0	380.424	1.012	1	0		GDAFRM
CSCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cc3cccs3)[C@H]2SC1	ZINC000027752264	210517131	/nfs/dbraw/zinc/51/71/31/210517131.db2.gz	XGCZJDZFYNKVIK-SMDDNHRTSA-N	-1	0	384.504	1.392	1	0		GDAFRM
COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc(O)c(C(=O)[O-])c3O[C@H]1CO2	ZINC000003197511	560188703	/nfs/dbraw/zinc/18/87/03/560188703.db2.gz	OCHPVPSALUKLOM-IFXJQAMLSA-N	-1	0	388.328	1.332	3	0	in-vitro	GDAFRM
CN1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000014979225	210139093	/nfs/dbraw/zinc/13/90/93/210139093.db2.gz	MBSMKNIEBKYDJI-STQMWFEESA-N	-1	0	378.379	1.270	1	0		GDAFRM
COc1ccn2nc(S(=O)(=O)[N-]c3ccccc3Br)nc2n1	ZINC000103212896	211423254	/nfs/dbraw/zinc/42/32/54/211423254.db2.gz	VOCJEZGGPLTGLQ-UHFFFAOYSA-N	-1	0	384.215	1.696	1	0		GDAFRM
Cc1cc(C)c(S(=O)(=O)N[C@H](CNC(=O)c2ccccc2)C(=O)[O-])c(C)c1	ZINC000043076853	210805114	/nfs/dbraw/zinc/80/51/14/210805114.db2.gz	BLMGUHNYNIGZAW-MRXNPFEDSA-N	-1	0	390.461	1.773	1	0		GDAFRM
NS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1	ZINC000027642573	210515620	/nfs/dbraw/zinc/51/56/20/210515620.db2.gz	QBCQPXMHHFJBQB-CQSZACIVSA-N	-1	0	382.825	1.413	1	0		GDAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C[C@H](O)[C@@H](O)CCCC(=O)[O-]	ZINC000033954673	571748001	/nfs/dbraw/zinc/74/80/01/571748001.db2.gz	SAAOVBGAFHJPIF-QSXTXFDWSA-N	-1	0	388.501	1.209	1	0	endogenous,in-man	GDAFRM
O=C([O-])CCC[C@@H](O)/C=C\C=C\CC[C@@H](O)C/C=C\CCCCC(O)(O)O	ZINC000085588764	571783759	/nfs/dbraw/zinc/78/37/59/571783759.db2.gz	LSVHZFZMMXHHBS-MNBASXMYSA-N	-1	0	386.485	1.993	1	0	endogenous,in-man	GDAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000028714442	210532393	/nfs/dbraw/zinc/53/23/93/210532393.db2.gz	PENPDDCQLFTURF-ILXRZTDVSA-N	-1	0	378.425	1.169	1	0		GDAFRM
NS(=O)(=O)c1cc(C(=O)NN2Cc3ccccc3[C@H]2C(=O)[O-])ccc1Cl	ZINC000025967094	210487326	/nfs/dbraw/zinc/48/73/26/210487326.db2.gz	XYBPXNKGYOGVST-AWEZNQCLSA-N	-1	0	395.824	1.274	1	0		GDAFRM
COC(=O)c1sc2[n-]c([S@@](=O)Cc3ccccn3)nc2c1C(=O)OC	ZINC000013448914	210061924	/nfs/dbraw/zinc/06/19/24/210061924.db2.gz	FKYPEVCSOQPMKX-RUZDIDTESA-N	-1	0	379.419	1.900	1	0		GDAFRM
Nc1ncnc2c1ncn2C[C@@H](CO)C[C@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001633686	209335003	/nfs/dbraw/zinc/33/50/03/209335003.db2.gz	NAVKJVURJYZGQN-WCQYABFASA-N	-1	0	377.341	1.326	1	0		GDAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000001629946	209334411	/nfs/dbraw/zinc/33/44/11/209334411.db2.gz	NSIPXPQHZLNRJQ-GJZGRUSLSA-N	-1	0	378.425	1.904	1	0		GDAFRM
CCC[C@H](c1c([O-])c2cc(C)ccc2oc1=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000103237784	211425237	/nfs/dbraw/zinc/42/52/37/211425237.db2.gz	HVJLKQNSCNLUCD-LLVKDONJSA-N	-1	0	385.420	1.719	1	0		GDAFRM
Cn1cc(Br)c(C(=O)[N-]N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]3C2=O)C42CC2)n1	ZINC000004614205	530536699	/nfs/dbraw/zinc/53/66/99/530536699.db2.gz	FQHGSRAUQYSPAW-OEIWMXHLSA-N	-1	0	391.225	1.025	1	0		GDAFRM
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000001629947	212252918	/nfs/dbraw/zinc/25/29/18/212252918.db2.gz	NSIPXPQHZLNRJQ-CABCVRRESA-N	-1	0	378.425	1.904	1	0		GDAFRM
O=C([O-])Cc1nn(CC(=O)Nc2cc(F)cc(F)c2O)c(=O)c2ccccc12	ZINC000013449102	221269076	/nfs/dbraw/zinc/26/90/76/221269076.db2.gz	XANFACVRDLABMV-UHFFFAOYSA-N	-1	0	389.314	1.646	1	0		GDAFRM
C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)C(=O)[O-])[C@@H]1CC[C@@]21OCO[C@@]12COCO2	ZINC000027519800	221653417	/nfs/dbraw/zinc/65/34/17/221653417.db2.gz	JHIUUDFRMGSNKB-HTMFCWLASA-N	-1	0	394.420	1.505	1	0		GDAFRM
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)COCc2ccccc2)cc1	ZINC000029343511	221692238	/nfs/dbraw/zinc/69/22/38/221692238.db2.gz	JKTAJSKFEQWPKA-UHFFFAOYSA-N	-1	0	378.406	1.205	1	0		GDAFRM
CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)c1ccccc1	ZINC000014952629	221321000	/nfs/dbraw/zinc/32/10/00/221321000.db2.gz	ZLFOXOKFPWKJBW-INIZCTEOSA-N	-1	0	389.433	1.214	1	0		GDAFRM
CN1C[C@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000014979227	221324054	/nfs/dbraw/zinc/32/40/54/221324054.db2.gz	MBSMKNIEBKYDJI-OLZOCXBDSA-N	-1	0	378.379	1.270	1	0		GDAFRM
Nc1ncnc2c1ncn2CCO[C@H](Cc1ccccc1)C[P@@](=O)([O-])O	ZINC000072175843	222216153	/nfs/dbraw/zinc/21/61/53/222216153.db2.gz	AJPRHYCVFJQRCC-CYBMUJFWSA-N	-1	0	377.341	1.214	1	0		GDAFRM
Cn1c(=O)c(C(=O)NC(C)(C)CO)c([O-])c2ncc(Cc3ccc(F)cc3)cc21	ZINC000103101203	222489406	/nfs/dbraw/zinc/48/94/06/222489406.db2.gz	UQYIROSZMPUXPF-UHFFFAOYSA-N	-1	0	399.422	1.870	1	0		GDAFRM
COc1ccc2c(c1)[C@@]1(CC(=O)N(Cc3ccccc3)C1=O)C(=O)N2CC(=O)[O-]	ZINC000014976509	221323705	/nfs/dbraw/zinc/32/37/05/221323705.db2.gz	GNNMQIXVBVKSKB-NRFANRHFSA-N	-1	0	394.383	1.323	1	0		GDAFRM
COc1ccc(S(=O)(=O)N2Cc3cc(N)ccc3C[C@H]2C(=O)C(=O)[O-])cc1	ZINC000027520698	221653332	/nfs/dbraw/zinc/65/33/32/221653332.db2.gz	SDOLDYMSRUFDDY-INIZCTEOSA-N	-1	0	390.417	1.047	1	0		GDAFRM
[NH3+][C@@H](Cc1nc2c(Cl)ccc(Cl)c2nc1C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001533939	212249215	/nfs/dbraw/zinc/24/92/15/212249215.db2.gz	AUCSMMMJEVXCDU-ZETCQYMHSA-N	-1	0	380.124	1.569	1	0		GDAFRM
CC1(C)S[C@@H]2[C@@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-]	ZINC000002038151	212145193	/nfs/dbraw/zinc/14/51/93/212145193.db2.gz	DXVUYOAEDJXBPY-LMOYCYGVSA-N	-1	0	389.477	1.411	3	0	in-man	GDAFRM
NS(=O)(=O)c1ccc(Nc2ccnc([N-]S(=O)(=O)C(F)(F)F)n2)cc1	ZINC000013835291	221291527	/nfs/dbraw/zinc/29/15/27/221291527.db2.gz	RCROFBCWZBXRHF-UHFFFAOYSA-N	-1	0	397.360	1.129	1	0		GDAFRM
Cn1c(COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc2ccc(=O)[nH]c21	ZINC000013907665	221292707	/nfs/dbraw/zinc/29/27/07/221292707.db2.gz	WEEPXEIATGBQQK-ZDUSSCGKSA-N	-1	0	384.417	1.735	1	0		GDAFRM
COc1ccc2c(c1)[C@]1(CC(=O)N(Cc3ccccc3)C1=O)C(=O)N2CC(=O)[O-]	ZINC000014976506	221323715	/nfs/dbraw/zinc/32/37/15/221323715.db2.gz	GNNMQIXVBVKSKB-OAQYLSRUSA-N	-1	0	394.383	1.323	1	0		GDAFRM
CN1CCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1	ZINC000072105399	222205829	/nfs/dbraw/zinc/20/58/29/222205829.db2.gz	CHCJEQKHZPVJHX-UHFFFAOYSA-N	-1	0	394.431	1.288	1	0		GDAFRM
CN1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])c4n5c3c2SC[C@H]5CO4)CC1	ZINC000013600154	221277078	/nfs/dbraw/zinc/27/70/78/221277078.db2.gz	UHLGRWWQBLEFKT-SECBINFHSA-N	-1	0	391.424	1.630	1	0		GDAFRM
O=C([O-])Cn1nc2n(Cc3ccc(F)c(F)c3)c3ccccc3n2c(=O)c1=O	ZINC000013470508	221268809	/nfs/dbraw/zinc/26/88/09/221268809.db2.gz	DLABIGCYCHCTDR-UHFFFAOYSA-N	-1	0	386.314	1.222	1	0		GDAFRM
CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)[O-])cc2CN1C(=O)OC(C)(C)C	ZINC000014952619	221320607	/nfs/dbraw/zinc/32/06/07/221320607.db2.gz	PPSSYXOFPICMQD-ZDUSSCGKSA-N	-1	0	385.442	1.309	1	0	in-vivo	GDAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCCc2ccco2)cc1Cl	ZINC000028217909	221669723	/nfs/dbraw/zinc/66/97/23/221669723.db2.gz	CTTPZSUALWBFPP-UHFFFAOYSA-N	-1	0	380.831	1.482	1	0		GDAFRM
CSc1c([O-])n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C	ZINC000040465659	221925483	/nfs/dbraw/zinc/92/54/83/221925483.db2.gz	IQQYRFLSZVOKMU-UHFFFAOYSA-N	-1	0	385.449	1.451	1	0		GDAFRM
COc1ccc(S(=O)(=O)[N-]c2nn(C)c3cc(C)[nH]c(=O)c23)c(OC)c1	ZINC000072113322	222206998	/nfs/dbraw/zinc/20/69/98/222206998.db2.gz	OBYSUOGUEVIOBF-UHFFFAOYSA-N	-1	0	378.410	1.388	1	0		GDAFRM
[NH3+][C@H](Cc1nc2c(Cl)ccc(Cl)c2nc1C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013861295	221292381	/nfs/dbraw/zinc/29/23/81/221292381.db2.gz	AUCSMMMJEVXCDU-SSDOTTSWSA-N	-1	0	380.124	1.569	1	0		GDAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc21	ZINC000014976500	221324060	/nfs/dbraw/zinc/32/40/60/221324060.db2.gz	CEMLTHXFJXITGG-HXUWFJFHSA-N	-1	0	382.347	1.454	1	0		GDAFRM
CC(C)[C@H](OC(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CF	ZINC000028331383	221675259	/nfs/dbraw/zinc/67/52/59/221675259.db2.gz	VVQLJLMWLQLISU-WFASDCNBSA-N	-1	0	386.351	1.897	1	0		GDAFRM
CC(C)n1c(SC2=C([O-])CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000100944128	222464962	/nfs/dbraw/zinc/46/49/62/222464962.db2.gz	HJYHTMJFDPNBQO-UHFFFAOYSA-N	-1	0	392.481	1.434	3	0		GDAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3ccoc3)C2=O)c2cc(Cl)ccc21	ZINC000014976764	221323211	/nfs/dbraw/zinc/32/32/11/221323211.db2.gz	RAJFUMSJKMAFSR-SFHVURJKSA-N	-1	0	388.763	1.561	1	0		GDAFRM
COc1ccc(C(=O)N2CCC[C@@](C)(C(=O)[N-]S(=O)(=O)C3CC3)C2)cc1	ZINC000061903233	222063181	/nfs/dbraw/zinc/06/31/81/222063181.db2.gz	AOAAXGFKVFZPHR-GOSISDBHSA-N	-1	0	380.466	1.546	3	0		GDAFRM
O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002004035	212144389	/nfs/dbraw/zinc/14/43/89/212144389.db2.gz	WOVRTBFSWOVRST-ROUUACIJSA-N	-1	0	384.432	1.474	1	0		GDAFRM
C[C@]12CC(=O)[C@H]3[C@@H](CCC(=O)[C@]3(C)C(=O)[O-])[C@@H]1CC[C@@]21OCO[C@@]12COCO2	ZINC000013781908	221289681	/nfs/dbraw/zinc/28/96/81/221289681.db2.gz	JHIUUDFRMGSNKB-CPOOVJGRSA-N	-1	0	394.420	1.505	1	0		GDAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21	ZINC000014976497	221323062	/nfs/dbraw/zinc/32/30/62/221323062.db2.gz	ZCDQMYGMUJCSPB-FQEVSTJZSA-N	-1	0	398.802	1.968	1	0		GDAFRM
O=C([O-])c1c2scc3n2c2c(cc(F)c(N4CCNC(=O)C4)c2OC3)c1=O	ZINC000100999536	136189395	/nfs/dbraw/zinc/18/93/95/136189395.db2.gz	KWWHMCYZYKFBFS-UHFFFAOYSA-N	-1	0	389.364	1.180	1	0		GDAFRM
CO[C@@H]1[C@@H](COC(C)C)O[C@@H](OCC(=O)[O-])[C@H](OCc2ccccc2)[C@H]1OC	ZINC000027645641	221656360	/nfs/dbraw/zinc/65/63/60/221656360.db2.gz	UWADVMJXQOLABA-XIKSMUEASA-N	-1	0	398.452	1.853	1	0		GDAFRM
CC(C)[C@H](OC(=O)Nc1cccc(F)c1)C(=O)N[C@@H](CC(=O)[O-])C(=O)CF	ZINC000028330552	221676214	/nfs/dbraw/zinc/67/62/14/221676214.db2.gz	YCRXYJBYZJTQSW-WFASDCNBSA-N	-1	0	386.351	1.897	1	0		GDAFRM
CCCNC(=O)[C@H](CCC(=O)[O-])NC(=O)/C=C/c1ccc(OC)c(OC)c1	ZINC000040950766	221935723	/nfs/dbraw/zinc/93/57/23/221935723.db2.gz	KPRNDHLGDTYXNC-MRZGDXHCSA-N	-1	0	378.425	1.593	1	0		GDAFRM
COc1ccc(CN2CN(CC(=O)[O-])c3ncc(Cl)cc3S2(=O)=O)cc1	ZINC000071296206	222180470	/nfs/dbraw/zinc/18/04/70/222180470.db2.gz	FEMGAMWMIXQQSF-UHFFFAOYSA-N	-1	0	397.840	1.797	1	0		GDAFRM
O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c([O-])c2ccccc2n1CCCO	ZINC000101034717	222466352	/nfs/dbraw/zinc/46/63/52/222466352.db2.gz	VFEOFCAMTYGUND-UHFFFAOYSA-N	-1	0	399.428	1.651	1	0		GDAFRM
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000001629949	212252724	/nfs/dbraw/zinc/25/27/24/212252724.db2.gz	NSIPXPQHZLNRJQ-HUUCEWRRSA-N	-1	0	378.425	1.904	1	0		GDAFRM
Nc1ncnc2c1ncn2C[C@@H](CO)C[C@@H](c1ccccc1)[P@@](=O)([O-])O	ZINC000001633687	212251452	/nfs/dbraw/zinc/25/14/52/212251452.db2.gz	NAVKJVURJYZGQN-AAEUAGOBSA-N	-1	0	377.341	1.326	1	0		GDAFRM
CN1Cc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2N[C@@H](CC(=O)[O-])C1=O	ZINC000013763785	221287916	/nfs/dbraw/zinc/28/79/16/221287916.db2.gz	OPUQBUMGBDMYAS-INIZCTEOSA-N	-1	0	393.403	1.464	1	0		GDAFRM
COc1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)[N-]C3=O)c1	ZINC000013683296	221280573	/nfs/dbraw/zinc/28/05/73/221280573.db2.gz	OTSSFDPOZPHLHY-UHFFFAOYSA-N	-1	0	395.371	1.505	1	0		GDAFRM
COc1ccc(C2(C(=O)[O-])CCCCC2)cc1[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000095607375	222359084	/nfs/dbraw/zinc/35/90/84/222359084.db2.gz	SANMMVNFDQCBRW-XYQSWSQNSA-N	-1	0	380.437	1.524	1	0		GDAFRM
N=C(N)Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc21	ZINC000003972703	581097316	/nfs/dbraw/zinc/09/73/16/581097316.db2.gz	MWEYSFQTTAFUFL-GFCCVEGCSA-N	-1	0	397.844	1.431	1	0	in-vitro	GDAFRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]N(C)S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001625010	212251005	/nfs/dbraw/zinc/25/10/05/212251005.db2.gz	IWGZYFJCUZMFLC-UHFFFAOYSA-N	-1	0	397.478	1.467	1	0		GDAFRM
Cc1ccc(/C=C/NC(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1	ZINC000028254493	221672224	/nfs/dbraw/zinc/67/22/24/221672224.db2.gz	GDWHDDUYVYIPTN-RKDLIQDISA-N	-1	0	375.450	1.780	1	0		GDAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000028109889	581096053	/nfs/dbraw/zinc/09/60/53/581096053.db2.gz	KRNSPQJSDVYTBC-CWRNSKLLSA-N	-1	0	390.436	1.131	1	0		GDAFRM
C[C@@H]1C[C@@H](O)/C=C\[C@H](O)CCC(=O)Cc2c(Cl)c([O-])cc(O)c2C(=O)O1	ZINC000066066386	222136324	/nfs/dbraw/zinc/13/63/24/222136324.db2.gz	UGYZEXDMXHEULY-SLTYSDCVSA-N	-1	0	384.812	1.870	1	0		GDAFRM
COc1cc(/C=C/C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1O	ZINC000013515059	571702920	/nfs/dbraw/zinc/70/29/20/571702920.db2.gz	RMZPPYWIJILVLC-DZZUKKPASA-N	-1	0	398.415	1.342	1	0	endogenous,in-man	GDAFRM
C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000001537725	212249092	/nfs/dbraw/zinc/24/90/92/212249092.db2.gz	OFCXTUWNBCBZFB-DTWKUNHWSA-N	-1	0	388.492	1.112	1	0		GDAFRM
CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])CC1	ZINC000004034636	220674157	/nfs/dbraw/zinc/67/41/57/220674157.db2.gz	YISCRAJPHFGUSO-UHFFFAOYSA-N	-1	0	380.466	1.861	3	0		GDAFRM
CCC(CC)O[C@@H]1CC(C(=O)[O-])=C[C@H](n2cc(C(C)(C)O)nn2)[C@H]1NC(C)=O	ZINC000064528490	222072516	/nfs/dbraw/zinc/07/25/16/222072516.db2.gz	SHZLGTIBAVWRQZ-ZMSDIMECSA-N	-1	0	394.472	1.540	1	0	in-vitro	GDAFRM
COc1cc(OC)nc([C@@H](O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)n1	ZINC000103184249	222491326	/nfs/dbraw/zinc/49/13/26/222491326.db2.gz	XUUZCZJZXBNFIL-LBPRGKRZSA-N	-1	0	393.343	1.837	1	0		GDAFRM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)CC[C@@H]1C(=O)[O-]	ZINC000028109901	581096025	/nfs/dbraw/zinc/09/60/25/581096025.db2.gz	KRNSPQJSDVYTBC-VNQPRFMTSA-N	-1	0	390.436	1.131	1	0		GDAFRM
[NH3+][C@@H](Cc1nc2cc(Cl)c(Cl)cc2nc1C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000001533934	212248887	/nfs/dbraw/zinc/24/88/87/212248887.db2.gz	HYMGARVNBZIVCW-ZETCQYMHSA-N	-1	0	380.124	1.569	1	0		GDAFRM
CN1Cc2cc(C(=O)NCCNc3ccccn3)ccc2N[C@@H](CC(=O)[O-])C1=O	ZINC000003827622	220667548	/nfs/dbraw/zinc/66/75/48/220667548.db2.gz	DTINBQRHDAOJQT-INIZCTEOSA-N	-1	0	397.435	1.151	1	0		GDAFRM
CC[C@@](O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3cc(O)ccc3nc1-2	ZINC000005140139	220834409	/nfs/dbraw/zinc/83/44/09/220834409.db2.gz	LMVPPKBFZGDQQK-FQEVSTJZSA-N	-1	0	382.372	1.305	1	0		GDAFRM
COc1ccc(OCC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(Cl)CS[C@H]23)cc1	ZINC000029571168	221695837	/nfs/dbraw/zinc/69/58/37/221695837.db2.gz	GLRZALXDPMBAHI-IUODEOHRSA-N	-1	0	398.824	1.009	1	0		GDAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)c2ccco2)c1	ZINC000061904229	222063237	/nfs/dbraw/zinc/06/32/37/222063237.db2.gz	CUTGHAURGPMPSS-KRWDZBQOSA-N	-1	0	380.397	1.837	3	0		GDAFRM
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)c2ccncc2)c([O-])c1)C(F)(F)F	ZINC000013760237	221288537	/nfs/dbraw/zinc/28/85/37/221288537.db2.gz	HJLSQMSOURVULD-AWEZNQCLSA-N	-1	0	390.339	1.872	1	0		GDAFRM
[NH3+][C@H](Cc1nc2cc(Cl)c(Cl)cc2nc1C[P@@](=O)([O-])O)C(=O)[O-]	ZINC000013861294	221291516	/nfs/dbraw/zinc/29/15/16/221291516.db2.gz	HYMGARVNBZIVCW-SSDOTTSWSA-N	-1	0	380.124	1.569	1	0		GDAFRM
Cc1ccc([C@H](c2c([O-])n(C)c(=O)n(C)c2=O)C(F)(F)C(=O)N(C)C)cc1	ZINC000001654934	212251494	/nfs/dbraw/zinc/25/14/94/212251494.db2.gz	ABPVWQZXEGYKQC-CYBMUJFWSA-N	-1	0	381.379	1.469	1	0		GDAFRM
COC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc2c(c1)OCO2	ZINC000013125857	221261862	/nfs/dbraw/zinc/26/18/62/221261862.db2.gz	UZGKOWUUYKQSBC-MRXNPFEDSA-N	-1	0	376.365	1.793	3	0		GDAFRM
CN1Cc2cc(C(=O)Nc3nc4ccccc4[nH]3)ccc2N[C@H](CC(=O)[O-])C1=O	ZINC000013763788	221287944	/nfs/dbraw/zinc/28/79/44/221287944.db2.gz	OPUQBUMGBDMYAS-MRXNPFEDSA-N	-1	0	393.403	1.464	1	0		GDAFRM
O=C([O-])C[C@@H](NC(=O)[C@H]1CCC[C@H]1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825327	581096389	/nfs/dbraw/zinc/09/63/89/581096389.db2.gz	LNKDHNRBMPZRNV-RRFJBIMHSA-N	-1	0	394.399	1.580	1	0		GDAFRM