smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC[C@@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000004556660	204146642	/nfs/dbraw/zinc/14/66/42/204146642.db2.gz	IXAQOQZEOGMIQS-RPJPXJAASA-N	-1	0	352.471	3.129	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(=O)[O-]	ZINC000013836413	204556593	/nfs/dbraw/zinc/55/65/93/204556593.db2.gz	XPMFBRQXMYFOPC-JGEMWAQNSA-N	-1	0	372.527	3.181	1	0		FGAFRM
[NH3+][C@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000014951211	560227544	/nfs/dbraw/zinc/22/75/44/560227544.db2.gz	DWLOVDOPFJPWNE-PKOBYXMFSA-N	-1	0	355.434	3.492	1	0	in-vitro	FGAFRM
CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1cccc(Br)c1	ZINC000002455993	204039674	/nfs/dbraw/zinc/03/96/74/204039674.db2.gz	GRSPSFVOVIUVQA-HUUCEWRRSA-N	-1	0	360.207	3.444	1	0		FGAFRM
O=C([N-]n1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1	ZINC000004354029	204135497	/nfs/dbraw/zinc/13/54/97/204135497.db2.gz	FCBIYVMKAMUMGP-UHFFFAOYSA-N	-1	0	367.455	3.494	3	0		FGAFRM
O=c1oc2ccccc2c([O-])c1C1=NC(=S)N[C@@H](c2cccnc2)C1	ZINC000100104063	205939781	/nfs/dbraw/zinc/93/97/81/205939781.db2.gz	YXHAUWHYCSNIKS-GFCCVEGCSA-N	-1	0	351.387	3.114	1	0		FGAFRM
CSc1ccc(Oc2c(C)cc(-n3ncc(=O)[n-]c3=O)cc2C)cc1C	ZINC000029555155	581096659	/nfs/dbraw/zinc/09/66/59/581096659.db2.gz	QYHBCLAFOBTOAT-UHFFFAOYSA-N	-1	0	369.446	3.360	1	0		FGAFRM
CC(C)[C@]1(O)CC[C@@]2(C)C=C[C@](C)(O)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]12	ZINC000095912663	291067390	/nfs/dbraw/zinc/06/73/90/291067390.db2.gz	MQNDIFGHQSDIOB-QRKBLAFPSA-N	-1	0	374.477	3.432	1	0	biogenic,in-vitro	FGAFRM
CN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1cccc(Br)c1	ZINC000002455990	204039699	/nfs/dbraw/zinc/03/96/99/204039699.db2.gz	GRSPSFVOVIUVQA-CABCVRRESA-N	-1	0	360.207	3.444	1	0		FGAFRM
Cc1cc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)cc(C)n1	ZINC000003789916	204110002	/nfs/dbraw/zinc/11/00/02/204110002.db2.gz	DOIHEANNHDBQGO-NSHDSACASA-N	-1	0	368.364	3.471	1	0		FGAFRM
COc1ccc(CC(=O)[O-])cc1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000012358306	204453882	/nfs/dbraw/zinc/45/38/82/204453882.db2.gz	CVLDONNYRQMBOV-UHFFFAOYSA-N	-1	0	367.323	3.271	1	0		FGAFRM
CCN(C(=O)C(C)C)c1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1	ZINC000036184807	205007143	/nfs/dbraw/zinc/00/71/43/205007143.db2.gz	CHQDCYKUBGQVEA-UHFFFAOYSA-N	-1	0	364.311	3.464	1	0		FGAFRM
CC(C)[C@]1(C)Cc2cc(OCc3nnn[n-]3)c(Cl)c(Cl)c2C1=O	ZINC000039220333	205045105	/nfs/dbraw/zinc/04/51/05/205045105.db2.gz	IIONFMPBFALGSE-HNNXBMFYSA-N	-1	0	355.225	3.487	1	0		FGAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(=O)[O-]	ZINC000043020972	205098899	/nfs/dbraw/zinc/09/88/99/205098899.db2.gz	BWJNOHKLFBLHOO-INIZCTEOSA-N	-1	0	363.460	3.442	1	0		FGAFRM
COC(=O)c1cc(=O)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[n-]1	ZINC000104336578	206000259	/nfs/dbraw/zinc/00/02/59/206000259.db2.gz	ZSHIZFLHLVNGJW-UHFFFAOYSA-N	-1	0	355.099	3.278	3	0		FGAFRM
COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)[O-]	ZINC000013144063	206301308	/nfs/dbraw/zinc/30/13/08/206301308.db2.gz	CTESPVHSEOQRTH-UNJBNNCHSA-N	-1	0	363.435	3.003	1	0		FGAFRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000003830712	204111867	/nfs/dbraw/zinc/11/18/67/204111867.db2.gz	XEYBRNLFEZDVAW-KYTOGMRYSA-N	-1	0	352.471	3.251	1	0		FGAFRM
O=C([O-])[C@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)NCC13CC4CC(CC(C4)C1)C3)C21CC1	ZINC000004142279	204123721	/nfs/dbraw/zinc/12/37/21/204123721.db2.gz	ZMKZREDEILLOIJ-PRJGLUSLSA-N	-1	0	355.478	3.232	2	0		FGAFRM
Nc1ncnc2c1O[C@@H](c1ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc1)CO2	ZINC000101448017	205960958	/nfs/dbraw/zinc/96/09/58/205960958.db2.gz	AOVBNRRYULZZSN-DVOMOZLQSA-N	-1	0	369.421	3.320	1	0		FGAFRM
Cc1ccc(C(O)=C[C@@H](C(=O)c2ccc(C)cc2)c2c(N)o[nH]c2=N)cc1	ZINC000137934924	206134592	/nfs/dbraw/zinc/13/45/92/206134592.db2.gz	RYOIDDVLPVVOTD-AEFFLSMTSA-N	-1	0	363.417	3.271	1	0		FGAFRM
Cc1c(N2CCC(C)CC2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000100894870	132233427	/nfs/dbraw/zinc/23/34/27/132233427.db2.gz	PKQJVEBRHDXGOQ-UHFFFAOYSA-N	-1	0	355.438	3.162	1	0		FGAFRM
Cc1nc2sc([C@@H](c3ccccc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000013147437	518193144	/nfs/dbraw/zinc/19/31/44/518193144.db2.gz	GOAMXJOTLKPXBX-TYNCELHUSA-N	-1	0	358.467	3.003	3	0		FGAFRM
CC(=O)Nc1ccc2cccc(S(=O)(=O)[N-]c3onc(C)c3C)c2c1	ZINC000013602355	204537984	/nfs/dbraw/zinc/53/79/84/204537984.db2.gz	GVWKKPXORPAABB-UHFFFAOYSA-N	-1	0	359.407	3.204	1	0		FGAFRM
CC(=O)SC[C@H](C)C(=O)N(CC(=O)[O-])C[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C	ZINC000027725109	204867670	/nfs/dbraw/zinc/86/76/70/204867670.db2.gz	SLKDSLAWMQSCJY-RIMJYPKNSA-N	-1	0	369.527	3.134	1	0		FGAFRM
O=C([O-])CCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1	ZINC000040395539	205068822	/nfs/dbraw/zinc/06/88/22/205068822.db2.gz	VARVTDAKXMVAGV-UHFFFAOYSA-N	-1	0	365.389	3.015	1	0		FGAFRM
O=C([O-])c1cn(Cc2c(F)cccc2F)c2c(F)ccc(F)c2c1=O	ZINC000043169346	205100993	/nfs/dbraw/zinc/10/09/93/205100993.db2.gz	QNJKXQPNYLFHHO-UHFFFAOYSA-N	-1	0	351.255	3.304	1	0		FGAFRM
CC/C=C\C[C@H](O)/C=C\[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000013521620	560218424	/nfs/dbraw/zinc/21/84/24/560218424.db2.gz	ANOICLBSJIMQTA-VVLGNWSJSA-N	-1	0	350.455	3.027	1	0	in-vitro	FGAFRM
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c([O-])c(OC)c3o2)cc1	ZINC000014645382	291072157	/nfs/dbraw/zinc/07/21/57/291072157.db2.gz	IPCCBZZCWJJFIF-UHFFFAOYSA-N	-1	0	358.346	3.200	1	0	biogenic,in-vitro	FGAFRM
CC(C)NC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)[O-]	ZINC000008672400	204337858	/nfs/dbraw/zinc/33/78/58/204337858.db2.gz	OEKPKPDAKHFEQJ-UHFFFAOYSA-N	-1	0	354.815	3.457	3	0		FGAFRM
O=C([O-])c1ccccc1NC(=O)CCc1noc2c1Cc1cc(O)ccc1-2	ZINC000040937968	205085411	/nfs/dbraw/zinc/08/54/11/205085411.db2.gz	FJMNOEYZTHLZFG-UHFFFAOYSA-N	-1	0	364.357	3.221	1	0		FGAFRM
Cc1ccc(C(=O)N[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1	ZINC000061945306	205289890	/nfs/dbraw/zinc/28/98/90/205289890.db2.gz	ZZDMLSDPEFJYDE-OAHLLOKOSA-N	-1	0	351.324	3.440	3	0		FGAFRM
Cc1c(N2CCC[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000100918392	132233516	/nfs/dbraw/zinc/23/35/16/132233516.db2.gz	MRLBHFVQGRTBHZ-LLVKDONJSA-N	-1	0	355.438	3.162	1	0		FGAFRM
C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@H]2O	ZINC000003977832	560191975	/nfs/dbraw/zinc/19/19/75/560191975.db2.gz	QZIGLSSUDXBTLJ-RZFLPCETSA-N	-1	0	352.452	3.085	3	0	in-vitro	FGAFRM
CCCCC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)S(=O)(=O)[O-]	ZINC000001539904	291068420	/nfs/dbraw/zinc/06/84/20/291068420.db2.gz	UGTSZVWDFDIWIG-OAHLLOKOSA-N	-1	0	358.456	3.129	1	0	endogenous,in-man	FGAFRM
CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1cccc(Br)c1	ZINC000002455991	204040533	/nfs/dbraw/zinc/04/05/33/204040533.db2.gz	GRSPSFVOVIUVQA-LSDHHAIUSA-N	-1	0	360.207	3.444	1	0		FGAFRM
Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1	ZINC000023156800	204798494	/nfs/dbraw/zinc/79/84/94/204798494.db2.gz	GOAMXJOTLKPXBX-JMSVASOKSA-N	-1	0	358.467	3.003	3	0		FGAFRM
O=C([O-])c1cc(CN2CCc3c(Cl)cccc3C2)c2ccccn2c1=O	ZINC000066097806	205363755	/nfs/dbraw/zinc/36/37/55/205363755.db2.gz	ZDHPEGSENZRJGA-UHFFFAOYSA-N	-1	0	368.820	3.209	1	0		FGAFRM
O=C([O-])[C@@H]1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1	ZINC000066251179	205364566	/nfs/dbraw/zinc/36/45/66/205364566.db2.gz	RUMVFXVYQUEURX-FUHWJXTLSA-N	-1	0	351.431	3.328	1	0		FGAFRM
CCSc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-]	ZINC000103177863	205987189	/nfs/dbraw/zinc/98/71/89/205987189.db2.gz	YWKALUXDFVQTEL-UHFFFAOYSA-N	-1	0	352.437	3.455	1	0		FGAFRM
Cc1c(-c2ccc(=O)n(CC(F)(F)F)c2)c2ccccc2n1CC(=O)[O-]	ZINC000117015928	206101855	/nfs/dbraw/zinc/10/18/55/206101855.db2.gz	CKPVZBZMSLQQFI-UHFFFAOYSA-N	-1	0	364.323	3.425	1	0		FGAFRM
COc1ccc(/C=C/C(=O)NC2=C(C(=O)[O-])CCCC2)c(Cl)c1OC	ZINC000169325591	206250975	/nfs/dbraw/zinc/25/09/75/206250975.db2.gz	NQANFDUULSLBMF-CSKARUKUSA-N	-1	0	365.813	3.399	1	0		FGAFRM
CCCCC[C@@H](O)[C@H](O)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000012496432	571695208	/nfs/dbraw/zinc/69/52/08/571695208.db2.gz	YCFPVUKKIWMCJK-YBNIRDONSA-N	-1	0	354.487	3.353	1	0	endogenous,in-man	FGAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(Sc3ccc4ccccc4c3)[C@H](C)[C@H]12	ZINC000026497290	204850856	/nfs/dbraw/zinc/85/08/56/204850856.db2.gz	SXQXSZYJPPWEPP-HOJOPBEUSA-N	-1	0	369.442	3.086	1	0		FGAFRM
[NH3+][C@@](C(=O)[O-])(C1CC(C(=O)[O-])C1)C1c2ccccc2Sc2ccccc21	ZINC000029041552	204893824	/nfs/dbraw/zinc/89/38/24/204893824.db2.gz	CGCILUGPSJODKY-IGFCCVMLSA-N	-1	0	369.442	3.176	1	0		FGAFRM
CCC[C@H](CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)[O-]	ZINC000034803249	204982341	/nfs/dbraw/zinc/98/23/41/204982341.db2.gz	XLWZIHIVUQLEGZ-MSOLQXFVSA-N	-1	0	361.482	3.158	1	0		FGAFRM
Cc1ccn(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4sccc43)cc2)n1	ZINC000049112842	205170308	/nfs/dbraw/zinc/17/03/08/205170308.db2.gz	DDBOMNKUQLLIBU-UHFFFAOYSA-N	-1	0	365.414	3.304	1	0		FGAFRM
O=C1[N-]C(=O)[C@](c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C2CC2)O1	ZINC000071334408	205427704	/nfs/dbraw/zinc/42/77/04/205427704.db2.gz	PHXVHMPJIGJANG-OAQYLSRUSA-N	-1	0	360.369	3.067	1	0		FGAFRM
Cc1nnc(SCc2cc(=O)n(-c3nc4ccccc4s3)[n-]2)s1	ZINC000102806951	209242042	/nfs/dbraw/zinc/24/20/42/209242042.db2.gz	LFLLNCWGLQCCJN-UHFFFAOYSA-N	-1	0	361.477	3.228	1	0		FGAFRM
COC1=C(C(C)=Nc2ccncc2)N[C@@H](C(=O)[O-])c2ccccc2C1OC	ZINC000101617660	209227105	/nfs/dbraw/zinc/22/71/05/209227105.db2.gz	DGWOUMZJKNXNIN-TXQCQQFXSA-N	-1	0	367.405	3.116	3	0		FGAFRM
C[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Cl)cc1	ZINC000096932395	209162865	/nfs/dbraw/zinc/16/28/65/209162865.db2.gz	XXPJDEWLGIAQQO-VIFPVBQESA-N	-1	0	353.205	3.456	1	0		FGAFRM
COc1ccc(C(=O)Nc2cc(Cl)cc3c(=O)cc(C(=O)[O-])oc23)cc1	ZINC000096271888	209148779	/nfs/dbraw/zinc/14/87/79/209148779.db2.gz	YMINVJCQMHQVBJ-UHFFFAOYSA-N	-1	0	373.748	3.406	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000261124459	206795393	/nfs/dbraw/zinc/79/53/93/206795393.db2.gz	KAQKFAOMNZTLHT-BVNGZZLDSA-N	-1	0	352.471	3.409	1	0	in-vitro	FGAFRM
CCCS(=O)(=O)Nc1ccc2c(c1)c1c(n2CCC(=O)[O-])CCCC1	ZINC000028344936	207960031	/nfs/dbraw/zinc/96/00/31/207960031.db2.gz	RQYJXDZTETVBIG-UHFFFAOYSA-N	-1	0	364.467	3.147	1	0		FGAFRM
C/C(=C\Cc1cc(-c2coc3cc([O-])cc(O)c3c2=O)ccc1O)CO	ZINC000040862338	208271933	/nfs/dbraw/zinc/27/19/33/208271933.db2.gz	NEQDXCVCMNDZJU-BIIKFXOESA-N	-1	0	354.358	3.058	1	0		FGAFRM
[NH3+][C@H](Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)[O-])cc2)c1)C(=O)[O-]	ZINC000045347625	208331893	/nfs/dbraw/zinc/33/18/93/208331893.db2.gz	HSDSNDNKMKXBJE-CYBMUJFWSA-N	-1	0	354.189	3.313	1	0		FGAFRM
O=C1Cc2cnc(Nc3ccc(O)c(Cl)c3)nc2-c2ncccc2N1	ZINC000045357481	208332212	/nfs/dbraw/zinc/33/22/12/208332212.db2.gz	PHOCQCHTHJNVPB-UHFFFAOYSA-N	-1	0	353.769	3.136	1	0		FGAFRM
O=C([O-])C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)ncc2[nH]1	ZINC000049035062	208412777	/nfs/dbraw/zinc/41/27/77/208412777.db2.gz	POYVQNQWKOBEBL-ZIAGYGMSSA-N	-1	0	369.808	3.129	1	0		FGAFRM
O=C([O-])c1c2scc3n2c2c(cc(F)c(N4CCCCC4)c2OC3)c1=O	ZINC000101498998	132234011	/nfs/dbraw/zinc/23/40/11/132234011.db2.gz	HNLHNIYUIQRAJX-UHFFFAOYSA-N	-1	0	374.393	3.234	1	0		FGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCC(C)CC3)c(F)c21	ZINC000066251731	136136722	/nfs/dbraw/zinc/13/67/22/136136722.db2.gz	AHDRJOJCGVTXRE-UHFFFAOYSA-N	-1	0	350.365	3.234	1	0		FGAFRM
COc1cccc([C@H](O)c2ncc(C(=O)[O-])c3cc(OC)c(OC)cc32)c1	ZINC000073169366	221559834	/nfs/dbraw/zinc/55/98/34/221559834.db2.gz	SQULJGIXJCYPFC-IBGZPJMESA-N	-1	0	369.373	3.041	1	0		FGAFRM
CCCCC/C=C\C[C@@H](O)[C@H](O)/C=C/[C@@H](O)C/C=C\CCCC(=O)[O-]	ZINC000014781468	560226305	/nfs/dbraw/zinc/22/63/05/560226305.db2.gz	WPLPEZUSILBTGP-LWKIYNMMSA-N	-1	0	354.487	3.353	1	0	in-vitro	FGAFRM
O=C([O-])COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12	ZINC000103243518	209250033	/nfs/dbraw/zinc/25/00/33/209250033.db2.gz	XEYOWMBOBIBKKD-UHFFFAOYSA-N	-1	0	360.749	3.489	1	0		FGAFRM
CS(=O)(=O)c1ccc(-n2[n-]c3c(c2=O)CSc2ccccc2-3)cc1	ZINC000100983001	209220393	/nfs/dbraw/zinc/22/03/93/209220393.db2.gz	PHLNUUDMCUUSGF-UHFFFAOYSA-N	-1	0	358.444	3.254	1	0		FGAFRM
CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(O)cc3)C2)c1)C(=O)[O-]	ZINC000040937972	208276197	/nfs/dbraw/zinc/27/61/97/208276197.db2.gz	FWRDAAGGAAIUDI-MOPGFXCFSA-N	-1	0	355.390	3.290	1	0		FGAFRM
CNC(=O)C(=O)NCCCC/C=C/CCCCCCCCCC(=O)[O-]	ZINC000072108513	208799364	/nfs/dbraw/zinc/79/93/64/208799364.db2.gz	WKESFWWKRDQART-SOFGYWHQSA-N	-1	0	354.491	3.171	1	0		FGAFRM
Cc1cc(=O)n2nc(SCc3ccc(Br)cc3)[n-]c2n1	ZINC000095579250	209081361	/nfs/dbraw/zinc/08/13/61/209081361.db2.gz	XCRINJIKSPXNSY-UHFFFAOYSA-N	-1	0	351.229	3.193	1	0		FGAFRM
O=C([O-])c1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccccc2)cc1	ZINC000103248834	209249916	/nfs/dbraw/zinc/24/99/16/209249916.db2.gz	KWHHRORFVRGNFG-UHFFFAOYSA-N	-1	0	359.325	3.142	1	0		FGAFRM
CCC[C@@H](CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)[O-]	ZINC000034803246	208111767	/nfs/dbraw/zinc/11/17/67/208111767.db2.gz	XLWZIHIVUQLEGZ-ROUUACIJSA-N	-1	0	361.482	3.158	1	0		FGAFRM
C[C@@H](C(=O)NCC(=O)[O-])c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O	ZINC000039310067	208208513	/nfs/dbraw/zinc/20/85/13/208208513.db2.gz	ZLWHBJIIEMDIFM-XBFCOCLRSA-N	-1	0	361.463	3.086	1	0		FGAFRM
O=C([O-])[C@@H]1Cc2cc([C@H]3NOc4ccccc43)c(Cl)c(Cl)c2O1	ZINC000026650601	220517959	/nfs/dbraw/zinc/51/79/59/220517959.db2.gz	GFKYAZOCXXIWHG-FZMZJTMJSA-N	-1	0	352.173	3.368	1	0		FGAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@H]1CC[C@H]2O	ZINC000261494712	571861388	/nfs/dbraw/zinc/86/13/88/571861388.db2.gz	QZIGLSSUDXBTLJ-CWQOZTLDSA-N	-1	0	352.452	3.085	1	0	endogenous,world	FGAFRM
CC[C@@H](C)[C@H](NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O)C(=O)[O-]	ZINC000103185637	209247270	/nfs/dbraw/zinc/24/72/70/209247270.db2.gz	DAFHPZNUFFGPKP-OQPBUACISA-N	-1	0	370.327	3.188	1	0		FGAFRM
CC(=O)N1N=C(c2c([O-])c3ccccc3[nH]c2=O)C[C@@H]1c1ccccc1C	ZINC000096938796	209164443	/nfs/dbraw/zinc/16/44/43/209164443.db2.gz	USNMYXAWYQQUJI-GOSISDBHSA-N	-1	0	361.401	3.240	1	0		FGAFRM
Cc1c(CC(=O)[O-])c2cc(F)ccc2n1S(=O)(=O)c1cccc(F)c1	ZINC000013673917	207475254	/nfs/dbraw/zinc/47/52/54/207475254.db2.gz	LLWIYODDNOMUIA-UHFFFAOYSA-N	-1	0	365.357	3.092	1	0		FGAFRM
C[C@@]12C[C@]3(CC[C@@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]3CC1)[C@H](CO)[C@H]2O	ZINC000035942132	208137281	/nfs/dbraw/zinc/13/72/81/208137281.db2.gz	MBMYOYXKUOEHJW-BEDDSUPNSA-N	-1	0	350.499	3.453	1	0		FGAFRM
CC(C)[C@@]1(C)Cc2cc(OCc3nnn[n-]3)c(Cl)c(Cl)c2C1=O	ZINC000039220334	208207368	/nfs/dbraw/zinc/20/73/68/208207368.db2.gz	IIONFMPBFALGSE-OAHLLOKOSA-N	-1	0	355.225	3.487	1	0		FGAFRM
Cc1nc(-c2ccccc2)sc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040933239	208274826	/nfs/dbraw/zinc/27/48/26/208274826.db2.gz	DWXMRUPUFUHGOP-UHFFFAOYSA-N	-1	0	367.430	3.241	1	0		FGAFRM
CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCC(=O)[O-]	ZINC000043071943	208301210	/nfs/dbraw/zinc/30/12/10/208301210.db2.gz	YJEAFIXGOUHZFP-ALCCZGGFSA-N	-1	0	354.491	3.171	1	0		FGAFRM
O=C1CN(c2csc(-c3ccccc3)c2Br)S(=O)(=O)[N-]1	ZINC000028886828	207977302	/nfs/dbraw/zinc/97/73/02/207977302.db2.gz	UBVOPYWVCKFHOC-UHFFFAOYSA-N	-1	0	373.253	3.199	1	0		FGAFRM
O=C(c1cccnc1)n1[n-]c(COc2cc(Cl)cc(Cl)c2)cc1=O	ZINC000095557493	209080002	/nfs/dbraw/zinc/08/00/02/209080002.db2.gz	QUGHUUSTNYEUJR-UHFFFAOYSA-N	-1	0	364.188	3.146	1	0		FGAFRM
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)CC(=O)[O-]	ZINC000040165400	574414641	/nfs/dbraw/zinc/41/46/41/574414641.db2.gz	VUDYWBBYQWVFAG-DCQCMACTSA-N	-1	0	374.477	3.149	1	0	endogenous,in-man	FGAFRM
Cc1c(N2CC3CCC2CC3)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000100916087	132233520	/nfs/dbraw/zinc/23/35/20/132233520.db2.gz	IUTQSRLKUKONGX-UHFFFAOYSA-N	-1	0	367.449	3.304	1	0		FGAFRM
COc1cc(OC)nc(Sc2cccc(C(F)(F)F)c2C(=O)[O-])n1	ZINC000103190228	209248074	/nfs/dbraw/zinc/24/80/74/209248074.db2.gz	AOBDKCMCPUXSBO-UHFFFAOYSA-N	-1	0	360.313	3.362	1	0		FGAFRM
CSc1cccc2c1c([O-])c(C(=O)N(C)c1ccccc1)c(=O)n2C	ZINC000100814262	209219337	/nfs/dbraw/zinc/21/93/37/209219337.db2.gz	MDZPOCCEFWZVGN-UHFFFAOYSA-N	-1	0	354.431	3.243	1	0		FGAFRM
COc1ccc(NC(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])cc1OC	ZINC000003906679	206994994	/nfs/dbraw/zinc/99/49/94/206994994.db2.gz	PLVIFOHGZFWSRO-UHFFFAOYSA-N	-1	0	354.362	3.065	1	0		FGAFRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000007997983	207216248	/nfs/dbraw/zinc/21/62/48/207216248.db2.gz	PXGPLTODNUVGFL-AZEAQWIUSA-N	-1	0	354.487	3.043	1	0		FGAFRM
CCCCC[C@@H](O)CC[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000012496280	207383736	/nfs/dbraw/zinc/38/37/36/207383736.db2.gz	LLQBSJQTCKVWTD-JDPCLBJCSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
CN(C)c1cnnc2ncn(Cc3cccc(-c4ccccc4C(=O)[O-])c3)c21	ZINC000027308003	207930060	/nfs/dbraw/zinc/93/00/60/207930060.db2.gz	ZYYXAFGALKSGSS-UHFFFAOYSA-N	-1	0	373.416	3.306	1	0		FGAFRM
O=C([O-])c1cc(Cl)ccc1S[C@H]1CC[C@H]2C[NH2+][C@H](C(=O)[O-])C[C@H]2C1	ZINC000034338047	208104047	/nfs/dbraw/zinc/10/40/47/208104047.db2.gz	CSOIIZJOPHPJBD-QPPBUOOMSA-N	-1	0	369.870	3.362	1	0		FGAFRM
Cc1ccccc1-c1cc(C(=O)[O-])n(C[C@H]2CC(c3cccnc3)=NO2)n1	ZINC000036387812	208161247	/nfs/dbraw/zinc/16/12/47/208161247.db2.gz	KXBOVQQXCMVUCL-OAHLLOKOSA-N	-1	0	362.389	3.145	3	0		FGAFRM
COc1ccc(-c2cc(C(=O)[O-])c3cnn(Cc4ccncc4)c3n2)cc1	ZINC000095582997	209082270	/nfs/dbraw/zinc/08/22/70/209082270.db2.gz	UITHLLLCFOBWSC-UHFFFAOYSA-N	-1	0	360.373	3.248	1	0		FGAFRM
CC1(C)Oc2c3c(c(O)cc2O)-c2oc4cc([O-])cc(O)c4c(=O)c2C[C@H]31	ZINC000013373251	560215286	/nfs/dbraw/zinc/21/52/86/560215286.db2.gz	SISHCMQQUDFHIG-SECBINFHSA-N	-1	0	368.341	3.093	1	0	in-vitro	FGAFRM
CCNC(=O)Nc1cc(-c2cccnc2)c(-c2cncc(C(=O)[O-])c2)cn1	ZINC000116501066	209345447	/nfs/dbraw/zinc/34/54/47/209345447.db2.gz	NPRNVMAREMYRDW-UHFFFAOYSA-N	-1	0	363.377	3.045	1	0		FGAFRM
COc1ccc(F)cc1-c1nc([C@H]2SC[C@@H](C(=O)[O-])N2C)cs1	ZINC000103234764	209249853	/nfs/dbraw/zinc/24/98/53/209249853.db2.gz	RRPYRDYWZWYKBF-SMDDNHRTSA-N	-1	0	354.428	3.088	1	0		FGAFRM
O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000103250346	209249378	/nfs/dbraw/zinc/24/93/78/209249378.db2.gz	HGYKAAOYCGDDPX-UHFFFAOYSA-N	-1	0	360.218	3.421	1	0		FGAFRM
CCn1ncc2c1ncc(C(=O)[O-])c2NCc1ccc(OC)c(Cl)c1	ZINC000004199947	207008069	/nfs/dbraw/zinc/00/80/69/207008069.db2.gz	IXXDIQQJJCDAKU-UHFFFAOYSA-N	-1	0	360.801	3.424	1	0		FGAFRM
CC1(C)CCS(=O)(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc21	ZINC000026282530	207912998	/nfs/dbraw/zinc/91/29/98/207912998.db2.gz	HDONWRYLXGZHRF-UHFFFAOYSA-N	-1	0	373.430	3.092	1	0		FGAFRM
CCc1ccc(Br)c(S(=O)(=O)[N-]c2onc(C)c2C)c1	ZINC000026469908	207915989	/nfs/dbraw/zinc/91/59/89/207915989.db2.gz	UULNADYKRFTRFV-UHFFFAOYSA-N	-1	0	359.245	3.417	1	0		FGAFRM
CCC[C@@H](CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)[O-]	ZINC000034803445	208111881	/nfs/dbraw/zinc/11/18/81/208111881.db2.gz	AWKDTQNBJJUGCQ-HNNXBMFYSA-N	-1	0	361.438	3.483	1	0		FGAFRM
[NH3+][C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc(C(=O)[O-])s2)c1)C(=O)[O-]	ZINC000045350430	208331018	/nfs/dbraw/zinc/33/10/18/208331018.db2.gz	ARDGAYSKDMGALL-VIFPVBQESA-N	-1	0	360.218	3.375	1	0		FGAFRM
O=C([O-])c1cn(Cc2ccc(-n3ccnc3)cc2)c2cccc(F)c2c1=O	ZINC000045337411	208331450	/nfs/dbraw/zinc/33/14/50/208331450.db2.gz	VYOPTTPVGNYJFL-UHFFFAOYSA-N	-1	0	363.348	3.073	1	0		FGAFRM
COc1cc2c(cc1[O-])occ(-c1cc(OC)c(OC)cc1OC)c2=O	ZINC000014645923	560223752	/nfs/dbraw/zinc/22/37/52/560223752.db2.gz	HCBHUSZRPOFQMN-UHFFFAOYSA-N	-1	0	358.346	3.200	1	0	in-vitro	FGAFRM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1	ZINC000000627400	210251753	/nfs/dbraw/zinc/25/17/53/210251753.db2.gz	ZPASTVSIWVFWPZ-HOTGVXAUSA-N	-1	0	370.449	3.355	1	0		FGAFRM
COC(=O)C(c1ccsc1)=C1OC(=O)C(c2ccc(OC)cc2)=C1[O-]	ZINC000064448801	212038469	/nfs/dbraw/zinc/03/84/69/212038469.db2.gz	NWVRKYDDQPCIMO-JQIJEIRASA-N	-1	0	358.371	3.167	1	0		FGAFRM
COc1cc(C(=O)[O-])ccc1NC(=O)NC(=O)c1ccc(F)cc1Cl	ZINC000013673934	220083537	/nfs/dbraw/zinc/08/35/37/220083537.db2.gz	PJOVCJSOUOTQQB-UHFFFAOYSA-N	-1	0	366.732	3.148	1	0		FGAFRM
CN1C(=S)N(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(F)cc1	ZINC000028389752	211487320	/nfs/dbraw/zinc/48/73/20/211487320.db2.gz	UFKFKQYESQIERK-GDNBJRDFSA-N	-1	0	356.378	3.128	1	0		FGAFRM
O=C([O-])[C@H]1Cc2cc([C@H]3NOc4ccccc43)c(Cl)c(Cl)c2O1	ZINC000026650606	211451688	/nfs/dbraw/zinc/45/16/88/211451688.db2.gz	GFKYAZOCXXIWHG-RISCZKNCSA-N	-1	0	352.173	3.368	1	0		FGAFRM
O=C([O-])c1cc(CCNS(=O)(=O)c2ccccc2)c2cccccc1-2	ZINC000013826261	211062345	/nfs/dbraw/zinc/06/23/45/211062345.db2.gz	TWPYYNMRMADJRV-UHFFFAOYSA-N	-1	0	355.415	3.011	1	0		FGAFRM
COc1ccc2c(C(=O)N(C)CC(=O)[O-])cc(C)cc2c1Br	ZINC000013823588	211061740	/nfs/dbraw/zinc/06/17/40/211061740.db2.gz	XPSUWSQIZXKHQN-UHFFFAOYSA-N	-1	0	366.211	3.076	1	0		FGAFRM
CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1ncc(Cl)cn1	ZINC000013761357	211058749	/nfs/dbraw/zinc/05/87/49/211058749.db2.gz	KLFNCMDJCYONOH-UHFFFAOYSA-N	-1	0	362.842	3.150	1	0		FGAFRM
CC(=O)Nc1ccc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2c1	ZINC000013602382	211043233	/nfs/dbraw/zinc/04/32/33/211043233.db2.gz	MJGWFNJRCIZVFM-UHFFFAOYSA-N	-1	0	359.407	3.204	1	0		FGAFRM
O=C([O-])c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4n3)c2o1	ZINC000096271908	222107544	/nfs/dbraw/zinc/10/75/44/222107544.db2.gz	CKKVVXBKJMOMEW-UHFFFAOYSA-N	-1	0	360.325	3.292	1	0		FGAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@H]2O	ZINC000013520558	571702910	/nfs/dbraw/zinc/70/29/10/571702910.db2.gz	QZIGLSSUDXBTLJ-UYTYNIKBSA-N	-1	0	352.452	3.085	1	0	endogenous,world	FGAFRM
CC1(C)C=Cc2c(O)ccc([C@@H]3COc4cc(O)cc(O)c4C3=O)c2O1	ZINC000005849230	291067420	/nfs/dbraw/zinc/06/74/20/291067420.db2.gz	CFCUNFSHJIQKLS-ZDUSSCGKSA-N	-1	0	354.358	3.347	1	0	biogenic,in-vitro	FGAFRM
O=S(=O)([N-]c1cncc(-c2cnc3[nH]ccc3c2)c1)c1ccccc1	ZINC000064560190	212040668	/nfs/dbraw/zinc/04/06/68/212040668.db2.gz	YXJNCMWPTDBNPS-UHFFFAOYSA-N	-1	0	350.403	3.426	1	0		FGAFRM
Cn1c(=O)cc2[n-]n(-c3ccccc3Cl)c(=O)c2c1-c1ccccc1F	ZINC000064447198	212036442	/nfs/dbraw/zinc/03/64/42/212036442.db2.gz	KJQWOWLDTVSADY-UHFFFAOYSA-N	-1	0	369.783	3.477	1	0		FGAFRM
CCCCC[C@@H](O)[C@@H](O)/C=C/C=C/C=C/C=C/[C@H](O)CCCC(=O)[O-]	ZINC000033838876	211612827	/nfs/dbraw/zinc/61/28/27/211612827.db2.gz	UXVRTOKOJOMENI-FFCQCANWSA-N	-1	0	352.471	3.129	1	0		FGAFRM
CC(C)c1cccc(C(C)C)c1NC(=O)[N-]S(=O)(=O)N1CCCC1	ZINC000013747377	211055769	/nfs/dbraw/zinc/05/57/69/211055769.db2.gz	PZBSFNRZWGDEDY-UHFFFAOYSA-N	-1	0	353.488	3.396	1	0		FGAFRM
CCCCC[C@@H](O)[C@@H](O)/C=C/[C@@H](O)C/C=C\C/C=C\CCCC(=O)[O-]	ZINC000012496426	210961776	/nfs/dbraw/zinc/96/17/76/210961776.db2.gz	YCFPVUKKIWMCJK-BUWRLEMKSA-N	-1	0	354.487	3.353	1	0	endogenous,in-man	FGAFRM
CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000150373589	574419289	/nfs/dbraw/zinc/41/92/89/574419289.db2.gz	LLQBSJQTCKVWTD-RPVYSCEOSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000005978212	560204190	/nfs/dbraw/zinc/20/41/90/560204190.db2.gz	BHMBVRSPMRCCGG-FNLGWFRMSA-N	-1	0	352.471	3.251	1	0	in-vitro	FGAFRM
CNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1	ZINC000004617891	581097367	/nfs/dbraw/zinc/09/73/67/581097367.db2.gz	KRRWEDJIVLDJJK-UHFFFAOYSA-N	-1	0	373.796	3.177	1	0		FGAFRM
CC(=O)Nc1cccc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc21	ZINC000013602389	211042446	/nfs/dbraw/zinc/04/24/46/211042446.db2.gz	SYZDITDRCXPOLE-UHFFFAOYSA-N	-1	0	359.407	3.204	1	0		FGAFRM
Cc1c(N2C[C@H](C)C[C@H](C)C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000049756163	136123915	/nfs/dbraw/zinc/12/39/15/136123915.db2.gz	SUNOXJGFRNXDSU-TXEJJXNPSA-N	-1	0	369.465	3.408	1	0		FGAFRM
CCCCC[C@](C)(O)/C=C\[C@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000038190908	494111784	/nfs/dbraw/zinc/11/17/84/494111784.db2.gz	DLJKPYFALUEJCK-FTDONXDGSA-N	-1	0	368.514	3.433	2	0		FGAFRM
O=S(=O)([O-])c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12	ZINC000063539376	212031578	/nfs/dbraw/zinc/03/15/78/212031578.db2.gz	BNLPAUPVSCPTDM-UHFFFAOYSA-N	-1	0	373.386	3.133	1	0		FGAFRM
CC(C)(C)c1ccc(C(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)cc1	ZINC000028902830	211501530	/nfs/dbraw/zinc/50/15/30/211501530.db2.gz	WEFAHVKSSHZNRX-UHFFFAOYSA-N	-1	0	370.430	3.399	1	0		FGAFRM
COc1cccc(CNC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])c1	ZINC000020155623	211271195	/nfs/dbraw/zinc/27/11/95/211271195.db2.gz	WELRPZWETBZMNW-UHFFFAOYSA-N	-1	0	372.808	3.387	1	0		FGAFRM
Cc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)cc(CO)n1	ZINC000000586483	210250846	/nfs/dbraw/zinc/25/08/46/210250846.db2.gz	UEULOHSYFZXLTN-UHFFFAOYSA-N	-1	0	368.364	3.036	1	0		FGAFRM
COc1ccc(Nc2nccc(Nc3ccccc3C(=O)[O-])n2)cc1O	ZINC000063540067	212032648	/nfs/dbraw/zinc/03/26/48/212032648.db2.gz	LNYPORVAHOFKGG-UHFFFAOYSA-N	-1	0	352.350	3.376	1	0		FGAFRM
O=C([O-])c1ccc(Cl)cc1S[C@H]1CC[C@H]2C[NH2+][C@H](C(=O)[O-])C[C@H]2C1	ZINC000034044890	211614502	/nfs/dbraw/zinc/61/45/02/211614502.db2.gz	YGQUWMQYUYJEOL-QPPBUOOMSA-N	-1	0	369.870	3.362	1	0		FGAFRM
Nc1nc(-c2ccc(OCc3ccccc3)cc2)c(Br)c(=O)[n-]1	ZINC000029553550	211515460	/nfs/dbraw/zinc/51/54/60/211515460.db2.gz	FWFVHHRBQWALBG-UHFFFAOYSA-N	-1	0	372.222	3.361	1	0		FGAFRM
CC(C)NC(=O)c1onc(CSc2cccc(Cl)c2)c1C(=O)[O-]	ZINC000008672392	210795290	/nfs/dbraw/zinc/79/52/90/210795290.db2.gz	HROWBFHZWORDOJ-UHFFFAOYSA-N	-1	0	354.815	3.457	3	0		FGAFRM
CN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1cccc(Br)c1	ZINC000002455988	210399478	/nfs/dbraw/zinc/39/94/78/210399478.db2.gz	GRSPSFVOVIUVQA-GJZGRUSLSA-N	-1	0	360.207	3.444	1	0		FGAFRM
CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000261084878	210221293	/nfs/dbraw/zinc/22/12/93/210221293.db2.gz	CIMMACURCPXICP-HJBLQIRLSA-N	-1	0	354.487	3.475	1	0	in-vitro	FGAFRM
COc1oc(=O)c2cc(NC(=O)c3ccccc3C(=O)[O-])ccc2c1Cl	ZINC000040466068	211746669	/nfs/dbraw/zinc/74/66/69/211746669.db2.gz	YYUOUMYVNAJSJO-UHFFFAOYSA-N	-1	0	373.748	3.406	1	0		FGAFRM
CC(=O)c1c(O)n(O)c2cc(NC(=O)Nc3cccc(C(=O)[O-])c3)ccc21	ZINC000013493893	211036041	/nfs/dbraw/zinc/03/60/41/211036041.db2.gz	AWEOKSFHCOKLMC-UHFFFAOYSA-N	-1	0	369.333	3.129	1	0		FGAFRM
[NH3+][C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000001890732	210372517	/nfs/dbraw/zinc/37/25/17/210372517.db2.gz	DWLOVDOPFJPWNE-HKUYNNGSSA-N	-1	0	355.434	3.492	1	0	in-vitro	FGAFRM
C/C=C(/C)C(=O)O[C@H]1Cc2c(cc3oc(C)cc(O)c-3c2=O)OC1(C)C	ZINC000015267005	210181090	/nfs/dbraw/zinc/18/10/90/210181090.db2.gz	GLVOOJKVWKZSGR-DIEDAUMRSA-N	-1	0	358.390	3.399	1	0		FGAFRM
O=C([O-])CCc1c(C=C2C(=O)Nc3ccccc32)[nH]c2c1C(=O)CCC2	ZINC000058575896	212012780	/nfs/dbraw/zinc/01/27/80/212012780.db2.gz	MMGOTJIEBBQFCL-RAXLEYEMSA-N	-1	0	350.374	3.044	1	0		FGAFRM
CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000027640010	211469291	/nfs/dbraw/zinc/46/92/91/211469291.db2.gz	XEYBRNLFEZDVAW-GEFKVBFBSA-N	-1	0	352.471	3.251	1	0		FGAFRM
CC(C)(C)C(=O)Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000013476882	211035985	/nfs/dbraw/zinc/03/59/85/211035985.db2.gz	VQTZGKGSQSACSN-QGZVFWFLSA-N	-1	0	368.433	3.097	1	0		FGAFRM
[NH3+][C@H](C[C@@H](CCCC(c1ccccc1)c1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000014951204	560227613	/nfs/dbraw/zinc/22/76/13/560227613.db2.gz	DWLOVDOPFJPWNE-IEBWSBKVSA-N	-1	0	355.434	3.492	1	0	in-vitro	FGAFRM
COc1ccc(NC(=O)Oc2ccc(S(=O)(=O)[O-])c3cccnc23)cc1	ZINC000027727920	211470656	/nfs/dbraw/zinc/47/06/56/211470656.db2.gz	LTHMDQULXJZFHR-UHFFFAOYSA-N	-1	0	374.374	3.101	1	0		FGAFRM
[NH3+][C@@](CC1c2ccccc2Sc2ccccc21)(C(=O)[O-])[C@H]1C[C@@H]1C(=O)[O-]	ZINC000013777306	211058342	/nfs/dbraw/zinc/05/83/42/211058342.db2.gz	RCZCOJYFXWJEMJ-ZQGRQUNCSA-N	-1	0	369.442	3.176	1	0		FGAFRM
O=C([O-])[C@H]1C[C@H](NC(=O)c2ccco2)c2c(Cl)cc(Cl)cc2N1	ZINC000013455259	211033593	/nfs/dbraw/zinc/03/35/93/211033593.db2.gz	DPJYWYRNTXJFCU-WDEREUQCSA-N	-1	0	355.177	3.326	1	0		FGAFRM
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCCC2=O)cc1I	ZINC000072106707	221405299	/nfs/dbraw/zinc/40/52/99/221405299.db2.gz	WBMPZVQIRAQADN-GXSJLCMTSA-N	-1	0	372.202	3.391	1	0		FGAFRM
Cc1cc2cccc(Cn3c4ccccc4n(CCC(=O)[O-])c3=O)c2n1C	ZINC000072175964	221449933	/nfs/dbraw/zinc/44/99/33/221449933.db2.gz	ZSHFBKUFTINGGX-UHFFFAOYSA-N	-1	0	363.417	3.126	1	0		FGAFRM
Cc1ccc2[nH]c(-c3ccccc3)c(-c3nc(NN)[n-]c4nnc(N)c3-4)c2c1	ZINC000103274922	222330254	/nfs/dbraw/zinc/33/02/54/222330254.db2.gz	UKXQDAUNVKLETP-UHFFFAOYSA-N	-1	0	370.420	3.344	1	0		FGAFRM
Cc1nc(C)c(-c2ccc(-c3ccc(CC(=O)[O-])cc3)cc2)nc1C(N)=O	ZINC000103298723	222333245	/nfs/dbraw/zinc/33/32/45/222333245.db2.gz	YGBVXNNYMCDJDQ-UHFFFAOYSA-N	-1	0	361.401	3.153	1	0		FGAFRM
CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000148599489	495586371	/nfs/dbraw/zinc/58/63/71/495586371.db2.gz	DLJKPYFALUEJCK-FPXZEFQGSA-N	-1	0	368.514	3.433	2	0		FGAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CC[C@H]2O	ZINC000005920286	571690305	/nfs/dbraw/zinc/69/03/05/571690305.db2.gz	QZIGLSSUDXBTLJ-DISONHOPSA-N	-1	0	352.452	3.085	1	0	endogenous,world	FGAFRM
Cc1cc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn4c3c2OC[C@H]4C)cc(C)n1	ZINC000000597027	219305495	/nfs/dbraw/zinc/30/54/95/219305495.db2.gz	DOIHEANNHDBQGO-LLVKDONJSA-N	-1	0	368.364	3.471	1	0		FGAFRM
CSc1ccc2nc(C(F)(F)F)[n-]c(=NN3C(=O)C=C(C)C3=O)c2c1	ZINC000013587560	220077553	/nfs/dbraw/zinc/07/75/53/220077553.db2.gz	MGVXOSOWKSCTSQ-UHFFFAOYSA-N	-1	0	368.340	3.013	1	0		FGAFRM
[NH3+][C@@H](C[C@@H](CCCC(c1ccccc1)c1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000013604106	220078545	/nfs/dbraw/zinc/07/85/45/220078545.db2.gz	DWLOVDOPFJPWNE-MJGOQNOKSA-N	-1	0	355.434	3.492	1	0	in-vitro	FGAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)[O-]	ZINC000013837076	220096603	/nfs/dbraw/zinc/09/66/03/220096603.db2.gz	IXCUJFRBJKGYEX-KIQRJQQFSA-N	-1	0	372.527	3.038	1	0		FGAFRM
COc1c(C)c2c(c(O)c1C[C@H]1C(F)(F)[C@@]1(C)CCC(=O)[O-])C(=O)OC2	ZINC000027897574	220551490	/nfs/dbraw/zinc/55/14/90/220551490.db2.gz	SHJCHUDCPAFOOE-DIFFPNOSSA-N	-1	0	370.348	3.058	1	0		FGAFRM
CC(C)[C@@]1(c2c[nH]c(-c3ccc4ccccc4c3)cc2=O)OC(=O)[N-]C1=O	ZINC000071333781	221343601	/nfs/dbraw/zinc/34/36/01/221343601.db2.gz	TZOZLXCJBIJCEG-NRFANRHFSA-N	-1	0	362.385	3.313	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000071756460	221365564	/nfs/dbraw/zinc/36/55/64/221365564.db2.gz	CIMMACURCPXICP-SMUGKCSQSA-N	-1	0	354.487	3.475	1	0	in-vitro	FGAFRM
O=C([O-])Cn1c2c(c3cc(F)cc(F)c31)CN(C(=O)c1ccccc1)CC2	ZINC000096271040	222107881	/nfs/dbraw/zinc/10/78/81/222107881.db2.gz	BTLHJJZUGWLEBW-UHFFFAOYSA-N	-1	0	370.355	3.203	1	0		FGAFRM
CCCOc1cccc(Sc2nc(OC)cc(OC)n2)c1C(=O)[O-]	ZINC000103188528	222322922	/nfs/dbraw/zinc/32/29/22/222322922.db2.gz	ZQDIAJKKORYIJI-UHFFFAOYSA-N	-1	0	350.396	3.132	1	0		FGAFRM
O=C([O-])Cc1nn(Cc2cc3cc(F)ccc3s2)c(=O)c2ccccc12	ZINC000013448987	220068871	/nfs/dbraw/zinc/06/88/71/220068871.db2.gz	OHAUPDIGXYKHKL-UHFFFAOYSA-N	-1	0	368.389	3.426	1	0		FGAFRM
O=S(=O)(CC(F)(F)F)[N-]c1cccc2c1CCC[C@H]2c1c[nH]cn1	ZINC000013580151	220076032	/nfs/dbraw/zinc/07/60/32/220076032.db2.gz	ZTIJSDAZRCWHKE-GFCCVEGCSA-N	-1	0	359.373	3.182	1	0		FGAFRM
O=C([O-])c1ccc(Cn2nc(-c3cccnc3)c3ccccc3c2=O)cc1	ZINC000013600586	220078039	/nfs/dbraw/zinc/07/80/39/220078039.db2.gz	XFBSXNYUBVKXCV-UHFFFAOYSA-N	-1	0	357.369	3.205	1	0		FGAFRM
CC(C)c1c(=O)n([O-])c(=O)n(Cc2ccccc2)c1Cc1ccc(F)cc1	ZINC000071316553	221341315	/nfs/dbraw/zinc/34/13/15/221341315.db2.gz	JZJHSIOZJKEBRS-UHFFFAOYSA-N	-1	0	368.408	3.149	1	0		FGAFRM
COc1c(=O)c(C)c([O-])c2c(O)c3c(oc1-2)[C@H](OC)Oc1ccccc1-3	ZINC000096917841	222139846	/nfs/dbraw/zinc/13/98/46/222139846.db2.gz	JWYNDRGBQXDNPV-LJQANCHMSA-N	-1	0	356.330	3.226	1	0		FGAFRM
Cc1ccc2c(c1)sc1nc(/C=C3/C(=O)N4C(C(=O)[O-])=CS[C@H]34)cn12	ZINC000013586481	220077713	/nfs/dbraw/zinc/07/77/13/220077713.db2.gz	QIAAAFQSVXOMRB-WSVPDTOYSA-N	-1	0	369.427	3.082	1	0		FGAFRM
O=C([O-])C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1	ZINC000034600235	220755775	/nfs/dbraw/zinc/75/57/75/220755775.db2.gz	MUKIEMZDXOXEOK-NVXWUHKLSA-N	-1	0	352.365	3.220	1	0	in-vitro	FGAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)[O-]	ZINC000059135621	221125384	/nfs/dbraw/zinc/12/53/84/221125384.db2.gz	IFTMGFWLRDDHFF-NSHDSACASA-N	-1	0	350.198	3.219	1	0		FGAFRM
O=S(=O)([N-]c1cncc(-c2ccc3nccn3c2)c1)c1ccccc1	ZINC000071316585	221341443	/nfs/dbraw/zinc/34/14/43/221341443.db2.gz	IEBWNBIVIFQUPF-UHFFFAOYSA-N	-1	0	350.403	3.197	1	0		FGAFRM
CC(C)[N-]C(=S)SCC(CSC(=S)[N-]C(C)C)C[NH+](C)C	ZINC000103292639	222331315	/nfs/dbraw/zinc/33/13/15/222331315.db2.gz	SYHXPPMHJZFFKH-UHFFFAOYSA-N	-1	0	367.675	3.196	1	0		FGAFRM
CC(C)(O)CCc1cc(-c2coc3cc([O-])cc(O)c3c2=O)ccc1O	ZINC000014819488	560226678	/nfs/dbraw/zinc/22/66/78/560226678.db2.gz	BWCOGZMVRBYAKY-UHFFFAOYSA-N	-1	0	356.374	3.280	1	0	in-vitro	FGAFRM
CCCCC/C=C\C[C@@H](O)[C@H](O)[C@@H](O)/C=C\C/C=C\CCCC(=O)[O-]	ZINC000012495376	571694246	/nfs/dbraw/zinc/69/42/46/571694246.db2.gz	GOHNIXDAQODZKP-PBJOALPWSA-N	-1	0	354.487	3.353	1	0	endogenous,in-man	FGAFRM
CCCCC[C@H](O)CC[C@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000012496277	571695306	/nfs/dbraw/zinc/69/53/06/571695306.db2.gz	LLQBSJQTCKVWTD-FPDBZQLZSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
COc1cc2oc(Oc3ccc(O)c(OC)c3)c(OC)c([O-])c-2c(=O)c1C	ZINC000095486287	291071391	/nfs/dbraw/zinc/07/13/91/291071391.db2.gz	KSIBFYLBLJSVTC-UHFFFAOYSA-N	-1	0	374.345	3.331	1	0	biogenic,in-vitro	FGAFRM
O=c1[n-]sc2c1c(=O)c1cc(F)c(-c3cccnc3)cc1n2C1CC1	ZINC000009132754	219875335	/nfs/dbraw/zinc/87/53/35/219875335.db2.gz	XFFNZYGEEVRMSC-UHFFFAOYSA-N	-1	0	353.378	3.441	1	0		FGAFRM
COc1nn(-c2ccccc2)c2nc(Nc3ccc(C(=O)[O-])cc3)ncc12	ZINC000029042602	220592948	/nfs/dbraw/zinc/59/29/48/220592948.db2.gz	IPFUBIOOTDDKBB-UHFFFAOYSA-N	-1	0	361.361	3.266	1	0		FGAFRM
CCC[C@H](CC1(C(=O)NC2(CO)Cc3ccccc3C2)CCCC1)C(=O)[O-]	ZINC000034056175	220753134	/nfs/dbraw/zinc/75/31/34/220753134.db2.gz	WRLJDWUKTUNXCU-GOSISDBHSA-N	-1	0	373.493	3.084	1	0		FGAFRM
CCOC(=O)CCCCCSc1nc2ccccc2n1CC(=O)[O-]	ZINC000038208575	220850485	/nfs/dbraw/zinc/85/04/85/220850485.db2.gz	COBQZMCHQAPGSO-UHFFFAOYSA-N	-1	0	350.440	3.337	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000100399289	222243340	/nfs/dbraw/zinc/24/33/40/222243340.db2.gz	CIMMACURCPXICP-RQLYALPKSA-N	-1	0	354.487	3.475	1	0		FGAFRM
COc1ccc(N(C)C(=O)c2c([O-])c3ccccc3n(C3CC3)c2=O)cc1	ZINC000100818861	222253940	/nfs/dbraw/zinc/25/39/40/222253940.db2.gz	RURFASVDSWVKIX-UHFFFAOYSA-N	-1	0	364.401	3.327	1	0		FGAFRM
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000027640429	494879052	/nfs/dbraw/zinc/87/90/52/494879052.db2.gz	DZUXGQBLFALXCR-QBRCEERESA-N	-1	0	356.503	3.267	2	0		FGAFRM
CC(=O)N[C@H](C)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000001549938	219410053	/nfs/dbraw/zinc/41/00/53/219410053.db2.gz	BYZYEDFJORVPIA-FZKQIMNGSA-N	-1	0	371.458	3.134	1	0		FGAFRM
COc1cccc(-c2cn(-c3ccc(C(=O)[O-])cc3)c3ncnc(N)c23)c1	ZINC000013538678	220072701	/nfs/dbraw/zinc/07/27/01/220072701.db2.gz	UVIMLVOKKVNPHX-UHFFFAOYSA-N	-1	0	360.373	3.377	1	0		FGAFRM
CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@H]1c1cccc(O)c1	ZINC000049803919	221028007	/nfs/dbraw/zinc/02/80/07/221028007.db2.gz	LOLFKKQHIFLOFL-YLJYHZDGSA-N	-1	0	364.401	3.211	1	0		FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2ncncc2c1=O	ZINC000049069652	221019078	/nfs/dbraw/zinc/01/90/78/221019078.db2.gz	ZZGUJHFBBMPAKM-UHFFFAOYSA-N	-1	0	357.369	3.205	1	0		FGAFRM
COc1ccc(C(=O)c2ncc(C(=O)[O-])c3cc(OC)c(OC)cc32)cc1	ZINC000073141502	221558817	/nfs/dbraw/zinc/55/88/17/221558817.db2.gz	UVQUCKPSHMCVRM-UHFFFAOYSA-N	-1	0	367.357	3.190	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000100395268	222243369	/nfs/dbraw/zinc/24/33/69/222243369.db2.gz	BHMBVRSPMRCCGG-PKYPQZGTSA-N	-1	0	352.471	3.251	1	0		FGAFRM
COc1ccc(C([O-])=C(NNc2ccc(F)cc2)C(=O)C(F)(F)F)cc1	ZINC000103180442	222322758	/nfs/dbraw/zinc/32/27/58/222322758.db2.gz	BTLFMMXAJWURPY-CQSZACIVSA-N	-1	0	370.302	3.134	1	0		FGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@H]1O	ZINC000103205801	222325277	/nfs/dbraw/zinc/32/52/77/222325277.db2.gz	PNNNUHUHKIJMHR-NEPJUHHUSA-N	-1	0	357.781	3.404	1	0		FGAFRM
CCCCC/C=C\C[C@@H](O)[C@@H](O)/C=C/[C@@H](O)C/C=C\CCCC(=O)[O-]	ZINC000013523776	560218560	/nfs/dbraw/zinc/21/85/60/560218560.db2.gz	WPLPEZUSILBTGP-VLXWAAQQSA-N	-1	0	354.487	3.353	1	0	in-vitro	FGAFRM
Cc1nc2sc([C@H](c3ccccc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000013147436	220059551	/nfs/dbraw/zinc/05/95/51/220059551.db2.gz	GOAMXJOTLKPXBX-ZOWXZIJZSA-N	-1	0	358.467	3.003	3	0		FGAFRM
CC(C)CCc1nc(NCC(C)C)nc(N(CC(=O)[O-])CC(C)C)n1	ZINC000013559141	220073924	/nfs/dbraw/zinc/07/39/24/220073924.db2.gz	CIQKETFTZBQDJY-UHFFFAOYSA-N	-1	0	351.495	3.075	1	0		FGAFRM
Cc1noc([N-]S(=O)(=O)c2cccc3c2cccc3C(C)(C)O)c1C	ZINC000013741062	220092109	/nfs/dbraw/zinc/09/21/09/220092109.db2.gz	FPDLWGFTGWKPLJ-UHFFFAOYSA-N	-1	0	360.435	3.473	1	0		FGAFRM
COc1c(C)c2c(c(N)c1C/C=C1\CCC[C@@H]1[C@H](C)C(=O)[O-])C(=O)OC2	ZINC000026744831	220520822	/nfs/dbraw/zinc/52/08/22/220520822.db2.gz	QDSHPKRSXSWYQZ-KGBWWEOFSA-N	-1	0	359.422	3.246	1	0		FGAFRM
COc1ccc(F)cc1-c1nc([C@@H]2SC[C@@H](C(=O)[O-])N2C)cs1	ZINC000103234766	222327540	/nfs/dbraw/zinc/32/75/40/222327540.db2.gz	RRPYRDYWZWYKBF-FZMZJTMJSA-N	-1	0	354.428	3.088	1	0		FGAFRM
CCOC[C@]1(O)C(C(=O)[O-])=C2C[C@H]3CC[C@@H](C)[C@@]24[C@@H]1c1cc[nH]c1C[C@@]34C	ZINC000085548982	291068438	/nfs/dbraw/zinc/06/84/38/291068438.db2.gz	PRXGVUQRJFKMRG-YOGBGYLRSA-N	-1	0	370.469	3.045	1	0	biogenic,in-vitro	FGAFRM
CC(/C=C/C(=O)[O-])=C\[C@@H](C)S(=O)(=O)c1ccc(Br)cc1	ZINC000066100942	221241414	/nfs/dbraw/zinc/24/14/14/221241414.db2.gz	CFZXFZSDGGEROQ-NPWUIRHHSA-N	-1	0	359.241	3.198	1	0		FGAFRM
COc1ccc(C(=O)Nc2cc(C)cc3c(=O)cc(C(=O)[O-])oc23)cc1	ZINC000096283748	222110581	/nfs/dbraw/zinc/11/05/81/222110581.db2.gz	CVGSJQCEOMANDN-UHFFFAOYSA-N	-1	0	353.330	3.061	1	0		FGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCC[C@@H]1O	ZINC000103205797	222325304	/nfs/dbraw/zinc/32/53/04/222325304.db2.gz	PNNNUHUHKIJMHR-RYUDHWBXSA-N	-1	0	357.781	3.404	1	0		FGAFRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)[O-])C[C@@H]21	ZINC000261124463	528272389	/nfs/dbraw/zinc/27/23/89/528272389.db2.gz	KAQKFAOMNZTLHT-RKWVJPMUSA-N	-1	0	352.471	3.409	1	0	in-vitro	FGAFRM
O=C([O-])Cc1nn(Cc2cc3ccccc3s2)c(=O)c2ccccc12	ZINC000013448981	220068274	/nfs/dbraw/zinc/06/82/74/220068274.db2.gz	ZQWPHAZTPSUDEE-UHFFFAOYSA-N	-1	0	350.399	3.287	1	0		FGAFRM
O=C([O-])c1cc2n(n1)c(=O)c1cc(Cl)ccc1n2Cc1ccccc1	ZINC000027852779	220549215	/nfs/dbraw/zinc/54/92/15/220549215.db2.gz	NXODTVKCBYDNJF-UHFFFAOYSA-N	-1	0	353.765	3.049	1	0		FGAFRM
COc1ccc(-c2[n-][nH]c(=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1O	ZINC000049069714	221019743	/nfs/dbraw/zinc/01/97/43/221019743.db2.gz	YFVBBVCSJWJGEJ-UHFFFAOYSA-N	-1	0	372.377	3.189	1	0		FGAFRM
O=C([O-])c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1	ZINC000103233781	222327974	/nfs/dbraw/zinc/32/79/74/222327974.db2.gz	PWIQBQDVHUEOJB-UHFFFAOYSA-N	-1	0	355.575	3.448	1	0		FGAFRM
CSc1ccc2c(c1)c([O-])c(C(=O)N(C)C1CCCCC1)c(=O)n2C	ZINC000101359086	222271396	/nfs/dbraw/zinc/27/13/96/222271396.db2.gz	OQDSENRVJZZHQC-UHFFFAOYSA-N	-1	0	360.479	3.371	1	0		FGAFRM
Cc1ncc(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)[O-])CC2)cc1	ZINC000101581826	222277580	/nfs/dbraw/zinc/27/75/80/222277580.db2.gz	WHDCKKLAGABMGQ-OKILXGFUSA-N	-1	0	353.422	3.299	1	0		FGAFRM
CNC(=O)c1ccccc1[S@](=O)c1cccc2cccc(C(=O)[O-])c21	ZINC000001039008	203975355	/nfs/dbraw/zinc/97/53/55/203975355.db2.gz	BAABZTNPWXJYDI-RUZDIDTESA-N	-1	0	353.399	3.064	1	0		FGAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000001620545	204014448	/nfs/dbraw/zinc/01/44/48/204014448.db2.gz	QZIGLSSUDXBTLJ-RSJGLCBASA-N	-1	0	352.452	3.085	1	0		FGAFRM
CS(=O)(=O)[N-]c1cc2c(cc1Sc1cccc(F)c1)C(=O)CC2	ZINC000013744792	204551541	/nfs/dbraw/zinc/55/15/41/204551541.db2.gz	DGOKANWSGARZDT-UHFFFAOYSA-N	-1	0	351.424	3.477	1	0		FGAFRM
C[C@H](C(=O)NCC(=O)[O-])c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O	ZINC000039310066	205043874	/nfs/dbraw/zinc/04/38/74/205043874.db2.gz	ZLWHBJIIEMDIFM-UBHSHLNASA-N	-1	0	361.463	3.086	1	0		FGAFRM
CCCCC[C@@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000040164453	205061840	/nfs/dbraw/zinc/06/18/40/205061840.db2.gz	LLQBSJQTCKVWTD-AZAWDBNZSA-N	-1	0	356.503	3.267	1	0	in-man	FGAFRM
Cc1nc2sc([C@@H](c3ccccc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000169335991	206251425	/nfs/dbraw/zinc/25/14/25/206251425.db2.gz	GOAMXJOTLKPXBX-SLEUVZQESA-N	-1	0	358.467	3.003	1	0		FGAFRM
C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(C)(C)C)C(C)(C)C)C(=O)[O-]	ZINC000040867343	205082966	/nfs/dbraw/zinc/08/29/66/205082966.db2.gz	XFAJVRZWASBIBG-MLOLEURXSA-N	-1	0	368.518	3.077	1	0		FGAFRM
O=C([O-])[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc2ccccc2s1	ZINC000044460290	205109163	/nfs/dbraw/zinc/10/91/63/205109163.db2.gz	OEMQUBXYMQNIGH-CQSZACIVSA-N	-1	0	365.414	3.203	1	0	in-vitro	FGAFRM
CC(/C=C/C(=O)[O-])=C\[C@H](C)S(=O)(=O)c1ccc(Br)cc1	ZINC000066100940	205364819	/nfs/dbraw/zinc/36/48/19/205364819.db2.gz	CFZXFZSDGGEROQ-QUDQDJHISA-N	-1	0	359.241	3.198	1	0		FGAFRM
COc1cc(/C(=C\c2cccc(OC(C)=O)c2)C(=O)[O-])cc(OC)c1OC	ZINC000095592866	205791772	/nfs/dbraw/zinc/79/17/72/205791772.db2.gz	JXJWHBFFNUQLIU-CXUHLZMHSA-N	-1	0	372.373	3.263	1	0		FGAFRM
Cc1c(N2C[C@H](C)C[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000049756166	136123946	/nfs/dbraw/zinc/12/39/46/136123946.db2.gz	SUNOXJGFRNXDSU-VXGBXAGGSA-N	-1	0	369.465	3.408	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000027641268	571741482	/nfs/dbraw/zinc/74/14/82/571741482.db2.gz	PXGPLTODNUVGFL-BOUVNZQDSA-N	-1	0	354.487	3.043	1	0	endogenous,in-man	FGAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000008681550	204338905	/nfs/dbraw/zinc/33/89/05/204338905.db2.gz	QZIGLSSUDXBTLJ-DFBDCSAJSA-N	-1	0	352.452	3.085	1	0		FGAFRM
COC[C@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)[O-]	ZINC000027525509	204864188	/nfs/dbraw/zinc/86/41/88/204864188.db2.gz	QBPSDADGAHTBDN-NRFANRHFSA-N	-1	0	371.433	3.353	1	0		FGAFRM
CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)[O-])c(F)c1	ZINC000071331407	205428449	/nfs/dbraw/zinc/42/84/49/205428449.db2.gz	MNOSYFBXUCZGCA-UHFFFAOYSA-N	-1	0	372.801	3.403	1	0		FGAFRM
Cc1[n-]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccc(C(F)(F)F)cc1	ZINC000138143321	206133684	/nfs/dbraw/zinc/13/36/84/206133684.db2.gz	KZLLIWPFOFZCCV-UHFFFAOYSA-N	-1	0	362.311	3.140	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000015111059	560228376	/nfs/dbraw/zinc/22/83/76/560228376.db2.gz	CIMMACURCPXICP-IJOOQCEJSA-N	-1	0	354.487	3.475	1	0	in-vitro	FGAFRM
O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)c1	ZINC000006623425	204256874	/nfs/dbraw/zinc/25/68/74/204256874.db2.gz	YEBLBKMRVAXGKY-UHFFFAOYSA-N	-1	0	368.414	3.171	3	0		FGAFRM
O=C(Nc1ccncc1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000006858652	204277511	/nfs/dbraw/zinc/27/75/11/204277511.db2.gz	PBUJLMUIUBGDBA-UHFFFAOYSA-N	-1	0	371.393	3.274	3	0		FGAFRM
Cc1ccc([C@@H]2CC=C(C(=O)[O-])CN2S(=O)(=O)c2ccccc2C)cc1	ZINC000036387292	205013678	/nfs/dbraw/zinc/01/36/78/205013678.db2.gz	AHBTVWOTRQGHQK-SFHVURJKSA-N	-1	0	371.458	3.450	3	0		FGAFRM
O=C1c2c(cc(OCc3nnn[n-]3)c(Cl)c2Cl)CC12CCCC2	ZINC000039220359	205044243	/nfs/dbraw/zinc/04/42/43/205044243.db2.gz	PTYJMQQUYVLAQY-UHFFFAOYSA-N	-1	0	353.209	3.385	1	0		FGAFRM
CCCCOc1ccc2cc(S(=O)(=O)NCCCC(=O)[O-])ccc2c1	ZINC000040862630	205083447	/nfs/dbraw/zinc/08/34/47/205083447.db2.gz	ATPMICVCHCVRPB-UHFFFAOYSA-N	-1	0	365.451	3.162	1	0		FGAFRM
COc1ccc(-c2nc(S(C)(=O)=O)[n-]c2-c2ccc(OC)cc2)cc1	ZINC000040505671	205072240	/nfs/dbraw/zinc/07/22/40/205072240.db2.gz	VIUWNARVSJPVFA-UHFFFAOYSA-N	-1	0	358.419	3.164	1	0		FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2nnccc2c1=O	ZINC000049066990	205168258	/nfs/dbraw/zinc/16/82/58/205168258.db2.gz	JZQVHVWLVCTLJZ-UHFFFAOYSA-N	-1	0	357.369	3.205	1	0		FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccoc3)cc2)c2c(c1=O)[C@@H](O)CCC2	ZINC000049072615	205168321	/nfs/dbraw/zinc/16/83/21/205168321.db2.gz	CKYQRQFEBHFWRU-SFHVURJKSA-N	-1	0	365.385	3.225	1	0		FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3cccnc3)cn2)c2ccsc2c1=O	ZINC000049115274	205169863	/nfs/dbraw/zinc/16/98/63/205169863.db2.gz	FLAPGGIPKPXUDP-UHFFFAOYSA-N	-1	0	363.398	3.267	1	0		FGAFRM
O=C([O-])c1ccc(COc2cc(O)cc3oc(=O)c4c(c23)CCC4)cc1	ZINC000064560393	205300591	/nfs/dbraw/zinc/30/05/91/205300591.db2.gz	XLBXITIJRKLVMO-UHFFFAOYSA-N	-1	0	352.342	3.265	1	0		FGAFRM
C/C(=C\Cc1c([O-])cc2occ(-c3ccc(O)cc3)c(=O)c2c1O)CO	ZINC000012362120	560211689	/nfs/dbraw/zinc/21/16/89/560211689.db2.gz	AROTXIUFXQZGLT-BIIKFXOESA-N	-1	0	354.358	3.058	1	0	biogenic,in-vitro	FGAFRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000003870936	204113132	/nfs/dbraw/zinc/11/31/32/204113132.db2.gz	QZIGLSSUDXBTLJ-KFGODFMUSA-N	-1	0	352.452	3.085	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000005978193	204233388	/nfs/dbraw/zinc/23/33/88/204233388.db2.gz	XEYBRNLFEZDVAW-HDKHACNSSA-N	-1	0	352.471	3.251	2	0		FGAFRM
CC(C)(C)C(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000029393257	204900188	/nfs/dbraw/zinc/90/01/88/204900188.db2.gz	CZTOYGIMRHJESX-KRWDZBQOSA-N	-1	0	353.418	3.341	1	0		FGAFRM
Nc1ccc(C2=Nn3cc(C(=O)[O-])nc3Cc3ccc(Cl)cc32)cc1	ZINC000028524230	204883858	/nfs/dbraw/zinc/88/38/58/204883858.db2.gz	DSDXQLQOIJFQSY-UHFFFAOYSA-N	-1	0	352.781	3.022	1	0		FGAFRM
CCCCC[C@](C)(O)/C=C\[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000038190907	205039715	/nfs/dbraw/zinc/03/97/15/205039715.db2.gz	DLJKPYFALUEJCK-NHSKJRDNSA-N	-1	0	368.514	3.433	2	0		FGAFRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@H]2O	ZINC000085552393	571782063	/nfs/dbraw/zinc/78/20/63/571782063.db2.gz	QZIGLSSUDXBTLJ-IGKNDFSCSA-N	-1	0	352.452	3.085	1	0	endogenous,world	FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccoc3)cc2)c2c(c1=O)[C@H](O)CCC2	ZINC000049072617	205168861	/nfs/dbraw/zinc/16/88/61/205168861.db2.gz	CKYQRQFEBHFWRU-GOSISDBHSA-N	-1	0	365.385	3.225	1	0		FGAFRM
O=Cc1cc(Br)cc(C(=O)NCc2ccc(F)cc2)c1[O-]	ZINC000066097422	205363531	/nfs/dbraw/zinc/36/35/31/205363531.db2.gz	QFAUYKFXBSLALX-UHFFFAOYSA-N	-1	0	352.159	3.036	1	0		FGAFRM
CC(C)(Oc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1)C(=O)[O-]	ZINC000026399120	204849668	/nfs/dbraw/zinc/84/96/68/204849668.db2.gz	CHGYXVBXJVQXMC-UHFFFAOYSA-N	-1	0	358.350	3.301	1	0		FGAFRM
O=C([O-])c1cc(CN2CCc3cc(Cl)ccc3C2)c2ccccn2c1=O	ZINC000043207349	205101563	/nfs/dbraw/zinc/10/15/63/205101563.db2.gz	JQXYMAUJXUPLBX-UHFFFAOYSA-N	-1	0	368.820	3.209	1	0		FGAFRM
Cc1ccc(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1	ZINC000061945304	205290119	/nfs/dbraw/zinc/29/01/19/205290119.db2.gz	ZZDMLSDPEFJYDE-HNNXBMFYSA-N	-1	0	351.324	3.440	3	0		FGAFRM
CCC(=O)N1[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c2[C@@H]1c1cccc(O)c1	ZINC000049803917	221028156	/nfs/dbraw/zinc/02/81/56/221028156.db2.gz	LOLFKKQHIFLOFL-XLIONFOSSA-N	-1	0	364.401	3.211	1	0		FGAFRM
CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-]	ZINC000256078939	574422092	/nfs/dbraw/zinc/42/20/92/574422092.db2.gz	LLQBSJQTCKVWTD-KABDSRKZSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
COc1ccc2ccc(=O)oc2c1Oc1c([O-])cc(O)c2ccc(=O)oc21	ZINC000013378572	291072908	/nfs/dbraw/zinc/07/29/08/291072908.db2.gz	UOWOBKCJCCNEOP-UHFFFAOYSA-N	-1	0	368.297	3.112	1	0	biogenic,in-vitro	FGAFRM
O=C([O-])c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1	ZINC000013236781	204525850	/nfs/dbraw/zinc/52/58/50/204525850.db2.gz	ZVRUOAROZPSGBG-UHFFFAOYSA-N	-1	0	356.359	3.456	1	0		FGAFRM
CCCCOc1ccc2cc(C[NH2+][C@H](CCC(=O)[O-])C(=O)[O-])ccc2c1	ZINC000040848199	205082876	/nfs/dbraw/zinc/08/28/76/205082876.db2.gz	FKMFWTSWIGWTFM-GOSISDBHSA-N	-1	0	359.422	3.426	1	0		FGAFRM
COc1[n-]c(Br)c(C(=O)c2ccc(Cl)cc2)c(=O)c1OC	ZINC000049033793	205168002	/nfs/dbraw/zinc/16/80/02/205168002.db2.gz	MRDUIDQMCACDMP-UHFFFAOYSA-N	-1	0	372.602	3.451	1	0		FGAFRM
C[C@@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@H]1CC[C@H]2O	ZINC000058541114	574415329	/nfs/dbraw/zinc/41/53/29/574415329.db2.gz	QZIGLSSUDXBTLJ-DUQPFJRNSA-N	-1	0	352.452	3.085	1	0	endogenous,world	FGAFRM
COc1cc(C([O-])=CC(=O)c2ccc(F)cc2F)cc(OC)c1OC	ZINC000103221589	209249594	/nfs/dbraw/zinc/24/95/94/209249594.db2.gz	WBEROMQOZGVISX-UHFFFAOYSA-N	-1	0	350.317	3.446	1	0		FGAFRM
O=C(C(NNc1ccc(F)cc1)=C([O-])c1ccc(F)cc1)C(F)(F)F	ZINC000103194288	209248533	/nfs/dbraw/zinc/24/85/33/209248533.db2.gz	KNCFFHJPEHNREA-ZDUSSCGKSA-N	-1	0	358.266	3.264	1	0		FGAFRM
CC(C)C[C@H](NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O)C(=O)[O-]	ZINC000103185639	209246365	/nfs/dbraw/zinc/24/63/65/209246365.db2.gz	STKFBZCVZANFPI-ZDUSSCGKSA-N	-1	0	370.327	3.188	1	0		FGAFRM
Nc1ncnc2c1O[C@H](c1ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc1)CO2	ZINC000101448020	209226430	/nfs/dbraw/zinc/22/64/30/209226430.db2.gz	AOVBNRRYULZZSN-ZENOOKHLSA-N	-1	0	369.421	3.320	1	0		FGAFRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-]	ZINC000100350081	209213623	/nfs/dbraw/zinc/21/36/23/209213623.db2.gz	GMVPRGQOIOIIMI-VXXUVDHHSA-N	-1	0	354.487	3.475	2	0		FGAFRM
CCC(CC)c1nn(CC)c2c1N=C(c1ccc(C(=O)[O-])cc1)CNC2=O	ZINC000096928080	209163006	/nfs/dbraw/zinc/16/30/06/209163006.db2.gz	NMWZIECWRMDJED-UHFFFAOYSA-N	-1	0	368.437	3.369	1	0		FGAFRM
[NH3+][C@H](Cc1cc(Cl)c(Cl)c(-c2cccc(C(=O)[O-])c2)c1)C(=O)[O-]	ZINC000045340393	208331726	/nfs/dbraw/zinc/33/17/26/208331726.db2.gz	GYQQZBHHWTWPIA-CYBMUJFWSA-N	-1	0	354.189	3.313	1	0		FGAFRM
[NH3+][C@H](Cc1cc(Cl)c(Cl)c(-c2ccccc2C(=O)[O-])c1)C(=O)[O-]	ZINC000045394395	208334502	/nfs/dbraw/zinc/33/45/02/208334502.db2.gz	QBEOINRZIGMRMS-CYBMUJFWSA-N	-1	0	354.189	3.313	1	0		FGAFRM
COc1ccc(S[C@@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)cc1	ZINC000053229395	208444209	/nfs/dbraw/zinc/44/42/09/208444209.db2.gz	DKNGJBYTIKXWCZ-QGZVFWFLSA-N	-1	0	357.431	3.220	1	0		FGAFRM
CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)[O-])cc1	ZINC000071334273	208762571	/nfs/dbraw/zinc/76/25/71/208762571.db2.gz	MREHKHMPXVGCAP-UHFFFAOYSA-N	-1	0	354.811	3.264	1	0		FGAFRM
CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1CCCCCCC(=O)[O-]	ZINC000100399272	209213231	/nfs/dbraw/zinc/21/32/31/209213231.db2.gz	CIMMACURCPXICP-VXXRCUPHSA-N	-1	0	354.487	3.475	1	0		FGAFRM
CCCCC[C@H](O)CC[C@@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000012496283	207383594	/nfs/dbraw/zinc/38/35/94/207383594.db2.gz	LLQBSJQTCKVWTD-QDFYZIDOSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
CC(=O)Nc1ccc2c(cccc2S(=O)(=O)[N-]c2onc(C)c2C)c1	ZINC000013602348	207471984	/nfs/dbraw/zinc/47/19/84/207471984.db2.gz	LLXDCSYQXGOAPS-UHFFFAOYSA-N	-1	0	359.407	3.204	1	0		FGAFRM
[NH3+][C@@H](Cc1cc(Cl)c(Cl)c(-c2cccc(C(=O)[O-])c2)c1)C(=O)[O-]	ZINC000045340391	208332566	/nfs/dbraw/zinc/33/25/66/208332566.db2.gz	GYQQZBHHWTWPIA-ZDUSSCGKSA-N	-1	0	354.189	3.313	1	0		FGAFRM
COc1cc(OC(F)(F)F)cc2c1O[C@@H](C(F)(F)F)C(C(=O)[O-])=C2	ZINC000064560389	208616486	/nfs/dbraw/zinc/61/64/86/208616486.db2.gz	PBGRARHEVYPEOU-SNVBAGLBSA-N	-1	0	358.190	3.385	1	0		FGAFRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1nc(-c2ccc(Cl)cc2)cs1	ZINC000096916388	209161870	/nfs/dbraw/zinc/16/18/70/209161870.db2.gz	DKXLODFJDSYDRO-SNVBAGLBSA-N	-1	0	367.839	3.144	1	0		FGAFRM
CCOc1cccc2cc(-c3nc4cc(C(=O)[O-])ccc4[nH]3)c(=O)oc21	ZINC000006917836	207177512	/nfs/dbraw/zinc/17/75/12/207177512.db2.gz	AQHLJZXNDKKGCG-UHFFFAOYSA-N	-1	0	350.330	3.433	1	0		FGAFRM
O=C([O-])C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1	ZINC000012482589	207383531	/nfs/dbraw/zinc/38/35/31/207383531.db2.gz	NICMVQKDZOBTSA-DOMZBBRYSA-N	-1	0	371.227	3.037	3	0		FGAFRM
O=c1nc(COc2ccc(Cl)c3c2C2(CCCCC2)NC(=O)N3)[n-]o1	ZINC000028348475	207960949	/nfs/dbraw/zinc/96/09/49/207960949.db2.gz	FTTARRILKZGDNU-UHFFFAOYSA-N	-1	0	364.789	3.302	1	0		FGAFRM
O=C([O-])C1CCN(c2ncc(-c3ccc4c(c3)OCCCO4)s2)CC1	ZINC000066166560	208695666	/nfs/dbraw/zinc/69/56/66/208695666.db2.gz	HAVNRFQWAXTDTI-UHFFFAOYSA-N	-1	0	360.435	3.272	1	0		FGAFRM
O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1c1ccccc1	ZINC000026656667	136153168	/nfs/dbraw/zinc/15/31/68/136153168.db2.gz	ZHORTEWAIPPSEA-CYBMUJFWSA-N	-1	0	373.217	3.025	1	0		FGAFRM
COc1cc(Oc2oc3c(C)c([O-])c(C)c(O)c3c(=O)c2OC)ccc1O	ZINC000095486283	291071385	/nfs/dbraw/zinc/07/13/85/291071385.db2.gz	WBBWHVAVJHTHKC-UHFFFAOYSA-N	-1	0	374.345	3.336	1	0	biogenic,in-vitro	FGAFRM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1nc(-c2cccc(Cl)c2)cs1	ZINC000096916356	209161911	/nfs/dbraw/zinc/16/19/11/209161911.db2.gz	QFEKQEKBWZPRSC-SNVBAGLBSA-N	-1	0	367.839	3.144	1	0		FGAFRM
CCc1c2s[n-]c(=O)c2c(=O)n2ccc(-c3cc(C)nc(C)c3)cc12	ZINC000013678287	220084235	/nfs/dbraw/zinc/08/42/35/220084235.db2.gz	UVJWLIUONXIZCV-UHFFFAOYSA-N	-1	0	351.431	3.444	1	0		FGAFRM
O=C([O-])C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1	ZINC000012487773	207382854	/nfs/dbraw/zinc/38/28/54/207382854.db2.gz	OXRWCJDIHPEXGS-DOMZBBRYSA-N	-1	0	360.328	3.293	3	0		FGAFRM
COc1cc2c(C(=O)[O-])cnc(C(=O)c3c(F)cccc3F)c2cc1OC	ZINC000034410008	208106242	/nfs/dbraw/zinc/10/62/42/208106242.db2.gz	LAEOTYPYJMLYGD-UHFFFAOYSA-N	-1	0	373.311	3.459	1	0		FGAFRM
COc1ccc(/C=C(/C(=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000095590387	209083678	/nfs/dbraw/zinc/08/36/78/209083678.db2.gz	KNRMRIMTLVISFI-RIYZIHGNSA-N	-1	0	374.389	3.355	1	0		FGAFRM
COC1=C(C(C)=Nc2ccncc2)N[C@H](C(=O)[O-])c2ccccc2C1OC	ZINC000101617664	209227387	/nfs/dbraw/zinc/22/73/87/209227387.db2.gz	DGWOUMZJKNXNIN-WBILKINKSA-N	-1	0	367.405	3.116	3	0		FGAFRM
COc1cccc(-c2noc(COc3ccc(CCC(=O)[O-])cc3)n2)c1	ZINC000097166011	209174596	/nfs/dbraw/zinc/17/45/96/209174596.db2.gz	NSMCIEPEYSIJRB-UHFFFAOYSA-N	-1	0	354.362	3.341	1	0		FGAFRM
O=C(N[C@H](Cc1cccc(F)c1)c1nnn[n-]1)c1ccc2ccccc2c1	ZINC000096273553	209149265	/nfs/dbraw/zinc/14/92/65/209149265.db2.gz	BVKCXNRNOXUDSQ-GOSISDBHSA-N	-1	0	361.380	3.206	1	0		FGAFRM
COc1ccccc1S(=O)(=O)[N-]c1cc(C)nn1-c1ccc(C)cc1	ZINC000006623358	207150323	/nfs/dbraw/zinc/15/03/23/207150323.db2.gz	HPRDPOMDHNVXLH-UHFFFAOYSA-N	-1	0	357.435	3.299	3	0		FGAFRM
O=S(=O)([N-]c1nc2cc(Cl)ccc2o1)c1ccccc1-n1ccnc1	ZINC000040564599	208257043	/nfs/dbraw/zinc/25/70/43/208257043.db2.gz	SEDBYGFFBIEJKL-UHFFFAOYSA-N	-1	0	374.809	3.468	1	0		FGAFRM
Cc1c(OCc2ccncc2)ccc2c(C)c(CCC(=O)[O-])c(=O)oc12	ZINC000095572860	209080296	/nfs/dbraw/zinc/08/02/96/209080296.db2.gz	LULSEOAIFJKNBV-UHFFFAOYSA-N	-1	0	353.374	3.401	1	0		FGAFRM
COc1cc(C(=O)c2ccc3c(c2)c(C(=O)[O-])cn3C)cc(OC)c1OC	ZINC000095584046	209082704	/nfs/dbraw/zinc/08/27/04/209082704.db2.gz	WQNJPMKNRZWOQJ-UHFFFAOYSA-N	-1	0	369.373	3.133	1	0		FGAFRM
COc1ccc2cccc(CCNC(=O)/C(Cl)=C(\Cl)C(=O)[O-])c2c1	ZINC000169311998	209518591	/nfs/dbraw/zinc/51/85/91/209518591.db2.gz	JFBDCNBRKHVFQU-CCEZHUSRSA-N	-1	0	368.216	3.281	1	0		FGAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCC[C@@H]1O	ZINC000103205794	209248053	/nfs/dbraw/zinc/24/80/53/209248053.db2.gz	PNNNUHUHKIJMHR-NWDGAFQWSA-N	-1	0	357.781	3.404	1	0		FGAFRM
COc1c(=O)c(C)c([O-])c2c(O)c3c(oc1-2)[C@@H](OC)Oc1ccccc1-3	ZINC000096917843	209161124	/nfs/dbraw/zinc/16/11/24/209161124.db2.gz	JWYNDRGBQXDNPV-IBGZPJMESA-N	-1	0	356.330	3.226	1	0		FGAFRM
O=C([O-])[C@@H]1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1	ZINC000066251180	208695779	/nfs/dbraw/zinc/69/57/79/208695779.db2.gz	RUMVFXVYQUEURX-WMZOPIPTSA-N	-1	0	351.431	3.328	1	0		FGAFRM
COCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3[O-])cnc21	ZINC000095559957	209080705	/nfs/dbraw/zinc/08/07/05/209080705.db2.gz	UDERDBUIILFLCF-UHFFFAOYSA-N	-1	0	361.401	3.416	1	0		FGAFRM
Cc1nc2sc([C@H](c3ccccc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1	ZINC000104199533	209260260	/nfs/dbraw/zinc/26/02/60/209260260.db2.gz	GOAMXJOTLKPXBX-HUBLWGQQSA-N	-1	0	358.467	3.003	3	0		FGAFRM
Cc1c(-c2ccccc2)nn(-c2nc(C(=O)[O-])cs2)c1-c1cnn(C)c1	ZINC000103249853	209249763	/nfs/dbraw/zinc/24/97/63/209249763.db2.gz	SGIYFANHICEODJ-UHFFFAOYSA-N	-1	0	365.418	3.403	1	0		FGAFRM
CSc1ccc2c(c1)c([O-])c(C(=O)N(C)c1ccc(F)cc1)c(=O)n2C	ZINC000100988370	209220411	/nfs/dbraw/zinc/22/04/11/209220411.db2.gz	IRLJXMZPFMTZCP-UHFFFAOYSA-N	-1	0	372.421	3.382	1	0		FGAFRM
Cc1c2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc2oc1C(=O)[O-]	ZINC000003045423	206953779	/nfs/dbraw/zinc/95/37/79/206953779.db2.gz	ZBFXFARCXUMFPN-UHFFFAOYSA-N	-1	0	359.403	3.226	3	0		FGAFRM
COc1cccc(-c2cn(-c3cccc(C(=O)[O-])c3)c3ncnc(N)c23)c1	ZINC000013538675	207465319	/nfs/dbraw/zinc/46/53/19/207465319.db2.gz	PIVIYQXUQRKVNG-UHFFFAOYSA-N	-1	0	360.373	3.377	1	0		FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3cn[nH]c3)cc2F)c2ccccc2c1=O	ZINC000045348353	208331057	/nfs/dbraw/zinc/33/10/57/208331057.db2.gz	PNUZKZWSNYTGAX-UHFFFAOYSA-N	-1	0	363.348	3.277	1	0		FGAFRM
O=C([O-])c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1	ZINC000045340075	132951368	/nfs/dbraw/zinc/95/13/68/132951368.db2.gz	MNXDTRVZLJPQQT-UHFFFAOYSA-N	-1	0	367.327	3.241	1	0		FGAFRM
Nc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c(C(=O)[O-])c1	ZINC000095560200	209080016	/nfs/dbraw/zinc/08/00/16/209080016.db2.gz	TYLKNQRYYQGQQH-UHFFFAOYSA-N	-1	0	358.353	3.431	1	0		FGAFRM
COc1cccc(C(=O)c2ncc(C(=O)[O-])c3cc(OC)c(OC)cc32)c1	ZINC000073195879	221559818	/nfs/dbraw/zinc/55/98/18/221559818.db2.gz	NMJRFKJTCHZCLZ-UHFFFAOYSA-N	-1	0	367.357	3.190	1	0		FGAFRM
O=C([O-])c1ccc(CC(=O)N[C@H](c2ccccc2)N2CCCCC2)cc1	ZINC000013832009	211062122	/nfs/dbraw/zinc/06/21/22/211062122.db2.gz	YGGZWMQIVTXPPA-FQEVSTJZSA-N	-1	0	352.434	3.228	1	0		FGAFRM
Cc1c(N2C[C@@H](C)C[C@H](C)C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000049756165	136123898	/nfs/dbraw/zinc/12/38/98/136123898.db2.gz	SUNOXJGFRNXDSU-RYUDHWBXSA-N	-1	0	369.465	3.408	1	0		FGAFRM
CCCCc1c([O-])c2cccnc2n(-c2ccc(OC)c(OC)c2)c1=O	ZINC000101238918	222266838	/nfs/dbraw/zinc/26/68/38/222266838.db2.gz	UFLHYGXKFXKJIK-UHFFFAOYSA-N	-1	0	354.406	3.451	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]	ZINC000100395260	222243295	/nfs/dbraw/zinc/24/32/95/222243295.db2.gz	BHMBVRSPMRCCGG-BZRWIFSCSA-N	-1	0	352.471	3.251	1	0		FGAFRM
O=C(C(NNc1ccc(F)cc1)=C([O-])c1ccc(F)cc1)C(F)(F)F	ZINC000103194291	222324858	/nfs/dbraw/zinc/32/48/58/222324858.db2.gz	KNCFFHJPEHNREA-CYBMUJFWSA-N	-1	0	358.266	3.264	1	0		FGAFRM
CCCCC[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21	ZINC000261124461	210220521	/nfs/dbraw/zinc/22/05/21/210220521.db2.gz	KAQKFAOMNZTLHT-OTIPNXQFSA-N	-1	0	352.471	3.409	1	0	in-vitro	FGAFRM
CCO[C@H](Cc1cccc(C2=NO[C@@H](Cc3ccccc3)C2)c1)C(=O)[O-]	ZINC000040412822	211744393	/nfs/dbraw/zinc/74/43/93/211744393.db2.gz	RMJMVMTVRSFGAV-AZUAARDMSA-N	-1	0	353.418	3.455	1	0		FGAFRM
CCC[C@H](CC1(C(=O)NCc2ccc3c(c2)OCO3)CCCC1)C(=O)[O-]	ZINC000034803448	211622625	/nfs/dbraw/zinc/62/26/25/211622625.db2.gz	AWKDTQNBJJUGCQ-OAHLLOKOSA-N	-1	0	361.438	3.483	1	0		FGAFRM
CCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)[O-]	ZINC000014965091	211109234	/nfs/dbraw/zinc/10/92/34/211109234.db2.gz	JGGAEBBDBSPMTR-UHFFFAOYSA-N	-1	0	367.398	3.286	1	0		FGAFRM
C[C@H](c1nc2ccccc2s1)n1nc(CC(=O)[O-])c2ccccc2c1=O	ZINC000013860811	211063462	/nfs/dbraw/zinc/06/34/62/211063462.db2.gz	SKVOATMZMPVYBN-LLVKDONJSA-N	-1	0	365.414	3.243	1	0		FGAFRM
CC(C)c1c(=O)n([O-])c(=O)n(Cc2ccc(F)cc2)c1Cc1ccccc1	ZINC000071318033	221342527	/nfs/dbraw/zinc/34/25/27/221342527.db2.gz	OVDZZDDMNBIZLI-UHFFFAOYSA-N	-1	0	368.408	3.149	1	0		FGAFRM
CCC(CC)C(=O)Nc1cc(NC(=O)c2ccco2)ccc1OCC(=O)[O-]	ZINC000103253700	222329740	/nfs/dbraw/zinc/32/97/40/222329740.db2.gz	IUNIRIBCMNHWKN-UHFFFAOYSA-N	-1	0	374.393	3.370	1	0		FGAFRM
CCOC(=O)c1c([O-])c2cc(Cc3ccc(F)cc3)ccc2n(C)c1=O	ZINC000102230087	222292736	/nfs/dbraw/zinc/29/27/36/222292736.db2.gz	DTZGIBZIZKWQEA-UHFFFAOYSA-N	-1	0	355.365	3.151	1	0		FGAFRM
CCCCC[C@@H](O)CC[C@H]1[C@@H](C/C=C/CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000012496274	571695440	/nfs/dbraw/zinc/69/54/40/571695440.db2.gz	LLQBSJQTCKVWTD-PZIPTPMKSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
[NH3+][C@@H](C/C(=C/CCC(c1ccccc1)c1ccccc1)C(=O)[O-])C(=O)[O-]	ZINC000029482195	211513561	/nfs/dbraw/zinc/51/35/61/211513561.db2.gz	OQHKCNWWRJOZCR-GTVARFKMSA-N	-1	0	353.418	3.412	1	0		FGAFRM
C[C@@H]1[C@H](C(=O)[O-])[C@H]1[C@]([NH3+])(CC1c2ccccc2Oc2ccccc21)C(=O)[O-]	ZINC000013912557	211063575	/nfs/dbraw/zinc/06/35/75/211063575.db2.gz	VYTOVCNIMJIGDL-GXLVJKRPSA-N	-1	0	367.401	3.063	1	0		FGAFRM
CCCCC[C@@H](O)/C=C\[C@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O	ZINC000011592551	210886694	/nfs/dbraw/zinc/88/66/94/210886694.db2.gz	PXGPLTODNUVGFL-HBPAUCIHSA-N	-1	0	354.487	3.043	1	0		FGAFRM
Cc1cc(-n2ncc(=O)[n-]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1	ZINC000002047672	210376457	/nfs/dbraw/zinc/37/64/57/210376457.db2.gz	RXQAVKWRCZYGMV-UHFFFAOYSA-N	-1	0	367.405	3.159	1	0	in-vivo	FGAFRM
COc1cccc2c1c([O-])c(C(=O)N(C)c1ccc(Cl)cc1)c(=O)n2C	ZINC000100817853	222254577	/nfs/dbraw/zinc/25/45/77/222254577.db2.gz	SFCHSIVDVGXLFS-UHFFFAOYSA-N	-1	0	372.808	3.183	1	0		FGAFRM
CCCCC[C@@H](O)CC/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000085588911	571784222	/nfs/dbraw/zinc/78/42/22/571784222.db2.gz	WRFBDEURXXFJRY-WYMHFOEZSA-N	-1	0	354.487	3.353	1	0	endogenous,in-man	FGAFRM
CCCCC[C@H](O)/C=C\[C@H]1[C@@H](CCCCCCC(=O)[O-])C(=O)C[C@@H]1O	ZINC000011592601	219923015	/nfs/dbraw/zinc/92/30/15/219923015.db2.gz	GMVPRGQOIOIIMI-AEIVYTNASA-N	-1	0	354.487	3.475	2	0		FGAFRM
COc1ccc(OC)c(NC(=O)[C@H]2[C@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)[O-])c1	ZINC000013132912	220059647	/nfs/dbraw/zinc/05/96/47/220059647.db2.gz	VXFWUBASHMOLJV-GGNLRSJOSA-N	-1	0	359.422	3.336	1	0		FGAFRM
[NH3+][C@@H](CCc1ccccc1)[P@](=O)([O-])C[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000029038836	211502425	/nfs/dbraw/zinc/50/24/25/211502425.db2.gz	QELOIXSGJMIHBZ-ZWKOTPCHSA-N	-1	0	361.378	3.118	1	0		FGAFRM
CC(=O)SC[C@@H](C)C(=O)N(CC(=O)[O-])C[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C	ZINC000027725116	211472112	/nfs/dbraw/zinc/47/21/12/211472112.db2.gz	SLKDSLAWMQSCJY-HPCJDURASA-N	-1	0	369.527	3.134	1	0		FGAFRM
[NH3+][C@@](CCC(c1ccccc1)c1ccccc1)(C(=O)[O-])[C@H]1C[C@@H]1C(=O)[O-]	ZINC000013777299	211058356	/nfs/dbraw/zinc/05/83/56/211058356.db2.gz	MYZZJMFAJXSPSC-BBTUJRGHSA-N	-1	0	353.418	3.102	1	0		FGAFRM
COc1ccc(-c2cc(=O)c3cc(OC)c([O-])c(OC)c3o2)cc1OC	ZINC000096910395	222138005	/nfs/dbraw/zinc/13/80/05/222138005.db2.gz	ORHYNAPTVRQMKM-UHFFFAOYSA-N	-1	0	358.346	3.200	1	0		FGAFRM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1	ZINC000000627402	210252242	/nfs/dbraw/zinc/25/22/42/210252242.db2.gz	ZPASTVSIWVFWPZ-CVEARBPZSA-N	-1	0	370.449	3.355	1	0		FGAFRM
CC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC)C1	ZINC000064436703	212037756	/nfs/dbraw/zinc/03/77/56/212037756.db2.gz	FGBGEKHVEJJJLT-LLVKDONJSA-N	-1	0	374.412	3.419	1	0		FGAFRM
COc1ccc(CN2c3c4ccccc4sc3C(=O)[N-]S2(=O)=O)cc1	ZINC000027758076	211470586	/nfs/dbraw/zinc/47/05/86/211470586.db2.gz	WFGWINIQDJRPDD-UHFFFAOYSA-N	-1	0	374.443	3.480	1	0		FGAFRM
O=C([O-])Cc1nn(Cc2cc3cc(Cl)ccc3o2)c(=O)c2ccccc12	ZINC000013449002	211034589	/nfs/dbraw/zinc/03/45/89/211034589.db2.gz	RUKUNINLSWDPDM-UHFFFAOYSA-N	-1	0	368.776	3.472	1	0		FGAFRM
COc1cc(OC)c(-c2ccnn2C)c([O-])c1C(=O)c1ccc(F)cc1F	ZINC000095594889	221967366	/nfs/dbraw/zinc/96/73/66/221967366.db2.gz	VDOJHXDQPRWAIZ-UHFFFAOYSA-N	-1	0	374.343	3.319	1	0		FGAFRM
CCCSc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)[O-]	ZINC000103181484	222323582	/nfs/dbraw/zinc/32/35/82/222323582.db2.gz	YXGXXGROZRSZGU-UHFFFAOYSA-N	-1	0	350.396	3.486	1	0		FGAFRM
CC[C@H](OC(=O)COc1ccc(Cl)cc1Cl)[P@@](=O)([O-])OC	ZINC000038331331	211699693	/nfs/dbraw/zinc/69/96/93/211699693.db2.gz	KELMEUOQOYOCLB-GFCCVEGCSA-N	-1	0	357.126	3.483	1	0		FGAFRM
O=C1Nc2ccc(S(=O)(=O)[O-])cc2C1(c1ccccc1)c1ccccc1	ZINC000029547945	211513583	/nfs/dbraw/zinc/51/35/83/211513583.db2.gz	PFKHCSFZVGIRFJ-UHFFFAOYSA-N	-1	0	365.410	3.220	1	0		FGAFRM
CC(C)(Oc1ccccc1)C(=O)NC1[C@@H]2CC3C[C@H]1CC(C(=O)[O-])(C3)C2	ZINC000028881992	211501417	/nfs/dbraw/zinc/50/14/17/211501417.db2.gz	GIFJUNAMCWBYRP-QYGWLETQSA-N	-1	0	357.450	3.240	1	0		FGAFRM
CC(=O)Nc1cccc2c1cccc2S(=O)(=O)[N-]c1noc(C)c1C	ZINC000013602357	211043234	/nfs/dbraw/zinc/04/32/34/211043234.db2.gz	MYPMATSTUPRQRI-UHFFFAOYSA-N	-1	0	359.407	3.204	1	0		FGAFRM
COc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SC)cc1	ZINC000100507149	222247072	/nfs/dbraw/zinc/24/70/72/222247072.db2.gz	UWJLBQHBUVBKMX-UHFFFAOYSA-N	-1	0	354.431	3.259	3	0		FGAFRM
CSc1ccc2c(c1)c([O-])c(C(=O)N(C)c1ccccc1)c(=O)n2C	ZINC000000603125	210251917	/nfs/dbraw/zinc/25/19/17/210251917.db2.gz	SLLIIFQCPVUDMP-UHFFFAOYSA-N	-1	0	354.431	3.243	1	0		FGAFRM
COC(=O)CNc1cccn2c(Cc3ccccc3)c(C)c(C(=O)[O-])c12	ZINC000027189803	211460380	/nfs/dbraw/zinc/46/03/80/211460380.db2.gz	SOQQAYLGRGYZIA-UHFFFAOYSA-N	-1	0	352.390	3.122	1	0		FGAFRM
COc1ccc2c(ccc(OC)c2C(F)(F)F)c1C(=O)N(C)CC(=O)[O-]	ZINC000013823566	211062197	/nfs/dbraw/zinc/06/21/97/211062197.db2.gz	XBSIZCMDISYKIC-UHFFFAOYSA-N	-1	0	371.311	3.032	1	0		FGAFRM
O=C([O-])c1cc(CCCNS(=O)(=O)c2ccccc2)c2cccccc1-2	ZINC000013826263	211061545	/nfs/dbraw/zinc/06/15/45/211061545.db2.gz	QTUXPQJBJVLXPG-UHFFFAOYSA-N	-1	0	369.442	3.401	1	0		FGAFRM
Cc1cc(O)cc(C)c1C[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000013765446	211058971	/nfs/dbraw/zinc/05/89/71/211058971.db2.gz	NRDJIOCQFPTJAK-QRWLVFNGSA-N	-1	0	367.445	3.226	1	0		FGAFRM
Cc1c(CC(=O)[O-])c2ccsc2n1Cc1ccc(S(C)(=O)=O)cc1	ZINC000066098459	221241544	/nfs/dbraw/zinc/24/15/44/221241544.db2.gz	JSACRWFTEDWZRX-UHFFFAOYSA-N	-1	0	363.460	3.090	1	0		FGAFRM
O=C([O-])CN1C(=O)/C(=C/c2ccccc2Br)Oc2ccccc21	ZINC000003029678	132384715	/nfs/dbraw/zinc/38/47/15/132384715.db2.gz	RHRKXPKPLUSQAS-DHDCSXOGSA-N	-1	0	374.190	3.300	3	0		FGAFRM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1	ZINC000000627395	210252186	/nfs/dbraw/zinc/25/21/86/210252186.db2.gz	ZPASTVSIWVFWPZ-JKSUJKDBSA-N	-1	0	370.449	3.355	1	0		FGAFRM
COc1cc2oc3c(c(=O)c2c(O)c1C)-c1cccc(O)c1O[C@@H]3OC	ZINC000013378585	210182391	/nfs/dbraw/zinc/18/23/91/210182391.db2.gz	KZXDJFLGVUVMJX-IBGZPJMESA-N	-1	0	356.330	3.226	1	0		FGAFRM
COc1ccc(S[C@H]2CCc3ccccc3N(CC(=O)[O-])C2=O)cc1	ZINC000053229397	211916629	/nfs/dbraw/zinc/91/66/29/211916629.db2.gz	DKNGJBYTIKXWCZ-KRWDZBQOSA-N	-1	0	357.431	3.220	1	0		FGAFRM
COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@@H]1C(=O)[O-]	ZINC000013144064	220060229	/nfs/dbraw/zinc/06/02/29/220060229.db2.gz	CTESPVHSEOQRTH-XCCSTKFXSA-N	-1	0	363.435	3.003	1	0		FGAFRM
O=C([O-])c1ccc(CC(=O)N[C@@H](c2ccccc2)N2CCCCC2)cc1	ZINC000013832008	211062410	/nfs/dbraw/zinc/06/24/10/211062410.db2.gz	YGGZWMQIVTXPPA-HXUWFJFHSA-N	-1	0	352.434	3.228	1	0		FGAFRM
C[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1	ZINC000096932411	222143006	/nfs/dbraw/zinc/14/30/06/222143006.db2.gz	SMNAUBJLFQFPND-VIFPVBQESA-N	-1	0	353.205	3.456	1	0		FGAFRM
CN=C1Nc2cc(-c3cccc(CCC(=O)[O-])c3)sc2N2C(C)=CN[C@@H]12	ZINC000101442090	222275160	/nfs/dbraw/zinc/27/51/60/222275160.db2.gz	KDLOHLHNQUFWGR-GOSISDBHSA-N	-1	0	368.462	3.292	1	0		FGAFRM
CC(=O)Nc1cccc2c1cccc2S(=O)(=O)[N-]c1onc(C)c1C	ZINC000013602332	220078207	/nfs/dbraw/zinc/07/82/07/220078207.db2.gz	RUCGYYIEJGBLLO-UHFFFAOYSA-N	-1	0	359.407	3.204	1	0		FGAFRM
O=C([O-])[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1c1ccccc1	ZINC000026656672	136153257	/nfs/dbraw/zinc/15/32/57/136153257.db2.gz	ZHORTEWAIPPSEA-ZDUSSCGKSA-N	-1	0	373.217	3.025	1	0		FGAFRM
COc1cccc2c1c([O-])c(C(=O)N(C)c1cccc(Cl)c1)c(=O)n2C	ZINC000100815928	222254525	/nfs/dbraw/zinc/25/45/25/222254525.db2.gz	MGNXGJPTWWWXTK-UHFFFAOYSA-N	-1	0	372.808	3.183	1	0		FGAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccccc2CO)c1C	ZINC000000602149	219305390	/nfs/dbraw/zinc/30/53/90/219305390.db2.gz	HEIXVINBPWTZHJ-UHFFFAOYSA-N	-1	0	358.419	3.252	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCC[P@@H](=O)[O-]	ZINC000013470217	220068210	/nfs/dbraw/zinc/06/82/10/220068210.db2.gz	AVGLHCULUVOTRL-LYDKCQJDSA-N	-1	0	374.458	3.035	1	0		FGAFRM
CCCN1C(=O)c2cc(OCCCC(=O)[O-])c(Cl)c(Cl)c2C1=O	ZINC000029476913	220605903	/nfs/dbraw/zinc/60/59/03/220605903.db2.gz	AGNPNXXNFLVOFZ-UHFFFAOYSA-N	-1	0	360.193	3.243	1	0		FGAFRM
O=C(Nc1ccc(-c2nc(C(F)(F)F)cc(=O)[n-]2)nc1)C(F)(F)Cl	ZINC000064512579	221147241	/nfs/dbraw/zinc/14/72/41/221147241.db2.gz	JAEFDZMWABSAGW-UHFFFAOYSA-N	-1	0	368.649	3.033	1	0		FGAFRM
CCCCCCOc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1	ZINC000064526803	221148060	/nfs/dbraw/zinc/14/80/60/221148060.db2.gz	UFBRQERFYMHTLN-XDNAFOTISA-N	-1	0	361.438	3.462	1	0		FGAFRM
COC(=O)c1cc2[n-]n(-c3ccccc3)c(=O)c2c(-c2ccc(N)cc2)c1	ZINC000066263024	221243557	/nfs/dbraw/zinc/24/35/57/221243557.db2.gz	DXXYLPSJBDXPAK-UHFFFAOYSA-N	-1	0	359.385	3.355	1	0		FGAFRM
Cc1c(CC(=O)[O-])c2ccsc2n1S(=O)(=O)c1ccc(F)cc1	ZINC000066098450	221240980	/nfs/dbraw/zinc/24/09/80/221240980.db2.gz	QYKDKHYDSONTKB-UHFFFAOYSA-N	-1	0	353.396	3.014	1	0		FGAFRM
C[C@@H](Nc1nc(-c2ccc(C(=O)[O-])c(O)c2)cnc1N)c1ccccc1	ZINC000096284820	222111037	/nfs/dbraw/zinc/11/10/37/222111037.db2.gz	CFMRRNWKLDNQFO-LLVKDONJSA-N	-1	0	350.378	3.303	1	0		FGAFRM
Cc1c(-c2ccccc2)nn(-c2nc(C(=O)[O-])cs2)c1-c1cncnc1	ZINC000103249849	222329509	/nfs/dbraw/zinc/32/95/09/222329509.db2.gz	XQGSRBYRFSRHRR-UHFFFAOYSA-N	-1	0	363.402	3.459	1	0		FGAFRM
CCCCC/C=C\C[C@@H](O)[C@H](O)[C@H](O)/C=C\C/C=C\CCCC(=O)[O-]	ZINC000012495382	571694349	/nfs/dbraw/zinc/69/43/49/571694349.db2.gz	GOHNIXDAQODZKP-GNPRSTINSA-N	-1	0	354.487	3.353	1	0	endogenous,in-man	FGAFRM
Cc1csc(Sc2cc3c(cc2[N-]S(C)(=O)=O)CCC3=O)n1	ZINC000029321678	581093679	/nfs/dbraw/zinc/09/36/79/581093679.db2.gz	WWCOYKGGJVFNGO-UHFFFAOYSA-N	-1	0	354.478	3.103	1	0		FGAFRM
Cc1c(CC(=O)[O-])c2cc(F)ccc2n1S(=O)(=O)c1ccc(C)cc1	ZINC000013673915	220083390	/nfs/dbraw/zinc/08/33/90/220083390.db2.gz	UNZRWCRCVPJLCE-UHFFFAOYSA-N	-1	0	361.394	3.261	1	0		FGAFRM
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CN[C@H](C(F)F)C2	ZINC000013686950	220085454	/nfs/dbraw/zinc/08/54/54/220085454.db2.gz	FYRVUPFMMDBYMU-HNNXBMFYSA-N	-1	0	372.824	3.420	1	0		FGAFRM
O=C([O-])c1ccc(-c2csc3c2oc(N2CCOCC2)cc3=O)cc1	ZINC000169295254	132261625	/nfs/dbraw/zinc/26/16/25/132261625.db2.gz	GCNBLUDADAFSDA-UHFFFAOYSA-N	-1	0	357.387	3.056	1	0		FGAFRM
O=C([O-])c1ccc(Nc2ncc3c(n2)N(c2ccccc2)CC(=O)N3)cc1	ZINC000029042601	136153632	/nfs/dbraw/zinc/15/36/32/136153632.db2.gz	SKRVVXGFPQYDSS-UHFFFAOYSA-N	-1	0	361.361	3.009	1	0		FGAFRM
COc1cc2c(cc1-c1c([O-])c3cc4ccoc4cc3oc1=O)OCO2	ZINC000095486068	291072025	/nfs/dbraw/zinc/07/20/25/291072025.db2.gz	XPXKZRNRBZMAGU-KRWDZBQOSA-N	-1	0	352.298	3.056	1	0	biogenic,in-vitro	FGAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2nccnc2c1=O	ZINC000049070785	221019360	/nfs/dbraw/zinc/01/93/60/221019360.db2.gz	YOOATANIHWAWIC-UHFFFAOYSA-N	-1	0	357.369	3.205	1	0		FGAFRM
COc1ccc(C([O-])=C(NNc2ccc(F)cc2)C(=O)C(F)(F)F)cc1	ZINC000103180440	222322981	/nfs/dbraw/zinc/32/29/81/222322981.db2.gz	BTLFMMXAJWURPY-AWEZNQCLSA-N	-1	0	370.302	3.134	1	0		FGAFRM
COc1cc(OC)nc(Sc2cccc(OC(C)C)c2C(=O)[O-])n1	ZINC000103188532	222323530	/nfs/dbraw/zinc/32/35/30/222323530.db2.gz	XLAOANJPJHAFBR-UHFFFAOYSA-N	-1	0	350.396	3.130	1	0		FGAFRM
CN=C1Nc2cc(-c3cccc(CCC(=O)[O-])c3)sc2N2C(C)=CN[C@H]12	ZINC000101442092	222275325	/nfs/dbraw/zinc/27/53/25/222275325.db2.gz	KDLOHLHNQUFWGR-SFHVURJKSA-N	-1	0	368.462	3.292	1	0		FGAFRM
Cc1ncc(-c2ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc2)nc1C(N)=O	ZINC000101581804	222278406	/nfs/dbraw/zinc/27/84/06/222278406.db2.gz	JEYLNWQDTLWEBW-OKILXGFUSA-N	-1	0	353.422	3.299	1	0		FGAFRM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)NC1CCCCC1	ZINC000000627398	493765726	/nfs/dbraw/zinc/76/57/26/493765726.db2.gz	ZPASTVSIWVFWPZ-HZPDHXFCSA-N	-1	0	370.449	3.355	1	0		FGAFRM
O=C([O-])CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1	ZINC000003815102	219526438	/nfs/dbraw/zinc/52/64/38/219526438.db2.gz	DNUPNCOEFDVRHA-UHFFFAOYSA-N	-1	0	374.198	3.027	1	0		FGAFRM
CO[C@H]1C[C@H](CC[C@H]2C(=O)CC[C@H]3[C@@](C)(C(=O)[O-])CCC[C@]23C)C(=O)O1	ZINC000095913560	291069600	/nfs/dbraw/zinc/06/96/00/291069600.db2.gz	CYEDQJFHAOSLCB-YINDKQICSA-N	-1	0	366.454	3.179	1	0	biogenic,in-vitro	FGAFRM
O=C([O-])C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C1CCCC1	ZINC000012478467	220000699	/nfs/dbraw/zinc/00/06/99/220000699.db2.gz	HWTGGZBSAXNXBN-LBPRGKRZSA-N	-1	0	363.357	3.168	3	0		FGAFRM
COc1cc([O-])c2c(=O)cc(-c3cc(OC)c(OC)cc3OC)oc2c1	ZINC000014644367	220128215	/nfs/dbraw/zinc/12/82/15/220128215.db2.gz	JZIWGWPCBNNLJD-UHFFFAOYSA-N	-1	0	358.346	3.200	1	0	in-vitro	FGAFRM
O=C([O-])Cc1cnc(C(=O)c2ccc(NC(=O)C3CC3)cc2)c2ccccc12	ZINC000103256295	222329551	/nfs/dbraw/zinc/32/95/51/222329551.db2.gz	HVLWBXCBLPJHLS-UHFFFAOYSA-N	-1	0	374.396	3.441	1	0		FGAFRM
C[C@@H]1[C@@H](C)CC[C@@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678103	222280686	/nfs/dbraw/zinc/28/06/86/222280686.db2.gz	GOKWVLYEOGXUSX-ZENOOKHLSA-N	-1	0	362.857	3.498	1	0		FGAFRM
O=C([O-])[C@@H]1[C@H](C(=O)Nc2ccc(Br)cc2F)[C@@H]2CC[C@H]1C2	ZINC000004614589	263335113	/nfs/dbraw/zinc/33/51/13/263335113.db2.gz	CCSMAGQESJJQCT-BCWBERDBSA-N	-1	0	356.191	3.274	1	0		FGAFRM
C[C@@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CC[C@H]2O	ZINC000005920311	571690202	/nfs/dbraw/zinc/69/02/02/571690202.db2.gz	QZIGLSSUDXBTLJ-NNPSNHGLSA-N	-1	0	352.452	3.085	1	0	endogenous,world	FGAFRM
CCCCC[C@H](O)CC[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000256078938	571856965	/nfs/dbraw/zinc/85/69/65/571856965.db2.gz	LLQBSJQTCKVWTD-AWKPCGAOSA-N	-1	0	356.503	3.267	1	0	endogenous,in-man	FGAFRM
O=c1[nH]c2cc(-c3ccc(Cl)cc3)cc(C[P@](=O)([O-])O)c2[nH]c1=O	ZINC000013440448	220066601	/nfs/dbraw/zinc/06/66/01/220066601.db2.gz	BOHNVYNMBZWQNB-UHFFFAOYSA-N	-1	0	366.697	3.039	1	0		FGAFRM
COc1nc(Cl)c(Cl)nc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000038459482	220852941	/nfs/dbraw/zinc/85/29/41/220852941.db2.gz	OUZKJGOSIGMDHS-UHFFFAOYSA-N	-1	0	374.658	3.308	1	0		FGAFRM
CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1CCC(=O)[O-]	ZINC000058569298	221120334	/nfs/dbraw/zinc/12/03/34/221120334.db2.gz	DPEBDBCXOSMPLP-ZSOIEALJSA-N	-1	0	356.353	3.175	1	0		FGAFRM
CC(C)[C@@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)[N-]C1=O	ZINC000071332235	221343690	/nfs/dbraw/zinc/34/36/90/221343690.db2.gz	HXVAXOYPIPUCRY-NRFANRHFSA-N	-1	0	362.385	3.313	1	0		FGAFRM
O=C([O-])[C@H](Cc1csc2ccccc12)N1C(=O)c2ccccc2C1=O	ZINC000103255435	222329770	/nfs/dbraw/zinc/32/97/70/222329770.db2.gz	ODJZYFDKMJWFAF-HNNXBMFYSA-N	-1	0	351.383	3.193	1	0		FGAFRM
CCCCC[C@H](O)/C=C\[C@@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000261084877	528272589	/nfs/dbraw/zinc/27/25/89/528272589.db2.gz	CIMMACURCPXICP-GVUZBITESA-N	-1	0	354.487	3.475	1	0	in-vitro	FGAFRM
C[C@H](C(=O)[O-])c1cc(/C=C/S(C)(=O)=O)cc(C(=O)c2ccccc2)c1	ZINC000013438147	220066982	/nfs/dbraw/zinc/06/69/82/220066982.db2.gz	CXQJRDQDYLVXEL-XEHSLEBBSA-N	-1	0	358.415	3.121	1	0		FGAFRM
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)[O-])s1	ZINC000013585532	220077328	/nfs/dbraw/zinc/07/73/28/220077328.db2.gz	XSQGDFANXYXTME-ODYMAQSMSA-N	-1	0	365.495	3.477	1	0		FGAFRM
CC(C)[C@]1(c2c[nH]c(-c3ccc4ccccc4c3)cc2=O)OC(=O)[N-]C1=O	ZINC000071333782	221343902	/nfs/dbraw/zinc/34/39/02/221343902.db2.gz	TZOZLXCJBIJCEG-OAQYLSRUSA-N	-1	0	362.385	3.313	1	0		FGAFRM
Cc1c(N2CCC[C@H](C)C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000100918390	132233566	/nfs/dbraw/zinc/23/35/66/132233566.db2.gz	MRLBHFVQGRTBHZ-NSHDSACASA-N	-1	0	355.438	3.162	1	0		FGAFRM
C[C@]12CC[C@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CC[C@H]2O	ZINC000003977830	560192008	/nfs/dbraw/zinc/19/20/08/560192008.db2.gz	QZIGLSSUDXBTLJ-TXTZMMAHSA-N	-1	0	352.452	3.085	3	0	in-vitro	FGAFRM