smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(-c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)ccn1	ZINC000000586485	219304592	/nfs/dbraw/zinc/30/45/92/219304592.db2.gz	WFOVQRPNGUHAQT-UHFFFAOYSA-N	-1	0	352.365	3.798	1	0		FHAFRM
C[C@H](CC(=O)[O-])c1c2c(c(O)c3c1O[C@@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000032086923	291078536	/nfs/dbraw/zinc/07/85/36/291078536.db2.gz	MRVZBYVLLGHZED-VWYCJHECSA-N	-1	0	360.406	3.754	1	0	biogenic,in-vitro	FHAFRM
COc1ccc(-c2c(C(=O)[O-])n[nH]c2-c2cc(Cl)c(O)cc2O)cc1	ZINC000004617889	204150416	/nfs/dbraw/zinc/15/04/16/204150416.db2.gz	VIBPEGKTQCWOSK-UHFFFAOYSA-N	-1	0	360.753	3.515	1	0		FHAFRM
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OS(=O)(=O)[O-]	ZINC000006067554	204236412	/nfs/dbraw/zinc/23/64/12/204236412.db2.gz	KYVPWJSGFKNNLD-ABEVXSGRSA-N	-1	0	370.511	3.786	1	0	endogenous,world	FHAFRM
O=C([O-])c1ccc(Cc2ccc3c(c2O)C(=O)c2c(O)cccc2C3)cc1	ZINC000013606163	204539425	/nfs/dbraw/zinc/53/94/25/204539425.db2.gz	RTDKVRGMJUYJST-UHFFFAOYSA-N	-1	0	360.365	3.522	1	0		FHAFRM
O=C([O-])CCC(=O)Nc1cccc(OCc2nc3ccccc3s2)c1	ZINC000027324919	204860716	/nfs/dbraw/zinc/86/07/16/204860716.db2.gz	USNRGVMUWHNCIJ-UHFFFAOYSA-N	-1	0	356.403	3.679	1	0		FHAFRM
O=C([O-])c1ccccc1S(=O)(=O)n1c2ccccc2c2ccccc21	ZINC000028369675	204881422	/nfs/dbraw/zinc/88/14/22/204881422.db2.gz	WVHKYPINALNKJJ-UHFFFAOYSA-N	-1	0	351.383	3.730	1	0	in-vivo	FHAFRM
CCO[C@@H](Cc1cccc(C2=NO[C@H](c3ccc(F)cc3)C2)c1)C(=O)[O-]	ZINC000040937588	205085631	/nfs/dbraw/zinc/08/56/31/205085631.db2.gz	SHEXHMGVCDIUNB-OALUTQOASA-N	-1	0	357.381	3.724	1	0		FHAFRM
CC(=O)Nc1cc(F)c(C(=O)[O-])cc1NC(=O)c1ccc2ccccc2c1	ZINC000043060596	205099563	/nfs/dbraw/zinc/09/95/63/205099563.db2.gz	MLNVGVSDROCSCX-UHFFFAOYSA-N	-1	0	366.348	3.888	1	0		FHAFRM
O=C([O-])C[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1	ZINC000049034707	205168943	/nfs/dbraw/zinc/16/89/43/205168943.db2.gz	COVRGMXLINYFFZ-CHWSQXEVSA-N	-1	0	374.849	3.796	1	0		FHAFRM
O=C([O-])[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2c1	ZINC000049071153	205169441	/nfs/dbraw/zinc/16/94/41/205169441.db2.gz	VGCIKNSFMREEJX-GOSISDBHSA-N	-1	0	353.805	3.919	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2csnc2c1=O	ZINC000049112378	205170596	/nfs/dbraw/zinc/17/05/96/205170596.db2.gz	PJHLWBWESJUHAG-UHFFFAOYSA-N	-1	0	362.410	3.872	1	0		FHAFRM
CC12CCCc3cc(NC(=O)c4ccc(C(=O)[O-])nc4)cc(c31)CCC2	ZINC000059027578	205280420	/nfs/dbraw/zinc/28/04/20/205280420.db2.gz	BCLVLWCSJJEVKO-UHFFFAOYSA-N	-1	0	350.418	3.962	1	0		FHAFRM
Cc1csc(CNc2ncnc3ccc(-c4ccc(C(=O)[O-])o4)cc32)n1	ZINC000066166966	205364233	/nfs/dbraw/zinc/36/42/33/205364233.db2.gz	HCUJHWMIXIFOCI-UHFFFAOYSA-N	-1	0	366.402	3.965	1	0		FHAFRM
Cn1c(Cc2nc(-c3ccccc3)c(CC(=O)[O-])s2)nc2ccccc21	ZINC000095605868	205794176	/nfs/dbraw/zinc/79/41/76/205794176.db2.gz	SVGVQUXKUFFTGZ-UHFFFAOYSA-N	-1	0	363.442	3.915	1	0		FHAFRM
O=C([O-])c1ccc(CN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1	ZINC000103212731	205987883	/nfs/dbraw/zinc/98/78/83/205987883.db2.gz	HNQBUPQQFPDDJU-DHDCSXOGSA-N	-1	0	357.362	3.760	1	0		FHAFRM
Nc1ncc(-c2sccc2C2CCCC2)nc1N1CCC(C(=O)[O-])CC1	ZINC000064453798	136133183	/nfs/dbraw/zinc/13/31/83/136133183.db2.gz	OQVDJZCMGJNDQU-UHFFFAOYSA-N	-1	0	372.494	3.746	1	0		FHAFRM
O=C([O-])c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000001489854	204010114	/nfs/dbraw/zinc/01/01/14/204010114.db2.gz	BFUXDIIDQFAZIG-UHFFFAOYSA-N	-1	0	370.213	3.883	1	0		FHAFRM
Cc1c2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2oc1C(=O)[O-]	ZINC000003045438	204075239	/nfs/dbraw/zinc/07/52/39/204075239.db2.gz	VHYQGOIDOVHQGX-UHFFFAOYSA-N	-1	0	363.435	3.608	3	0		FHAFRM
COc1cc2nc(Cl)nc(Nc3ccc(C(=O)[O-])cc3)c2cc1OC	ZINC000011756520	204415072	/nfs/dbraw/zinc/41/50/72/204415072.db2.gz	NACIGFLMPZHXQT-UHFFFAOYSA-N	-1	0	359.769	3.742	1	0		FHAFRM
CCc1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)Nc1ccccn1	ZINC000029250798	204897057	/nfs/dbraw/zinc/89/70/57/204897057.db2.gz	AZYMTIZNMLJVIV-UHFFFAOYSA-N	-1	0	361.323	3.757	1	0		FHAFRM
Cc1cc(-c2ccc(C(=O)[O-])c(O)c2)oc1C=C1SC(=S)NC1=O	ZINC000040428960	205070376	/nfs/dbraw/zinc/07/03/76/205070376.db2.gz	KYEWMUNQRWULNV-MLPAPPSSSA-N	-1	0	361.400	3.988	1	0		FHAFRM
O=C1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000040394452	205068525	/nfs/dbraw/zinc/06/85/25/205068525.db2.gz	IGFIMXQETAEFKU-GFCCVEGCSA-N	-1	0	355.765	3.612	1	0		FHAFRM
C[C@H](Nc1nc(-c2ccccc2)nc2ccc(Br)cc21)C(=O)[O-]	ZINC000040392710	205068546	/nfs/dbraw/zinc/06/85/46/205068546.db2.gz	CQNSZRXLYAWVBR-JTQLQIEISA-N	-1	0	372.222	3.944	1	0		FHAFRM
NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2	ZINC000040898685	205084460	/nfs/dbraw/zinc/08/44/60/205084460.db2.gz	XCGCWSHXAKRDTN-UHFFFAOYSA-N	-1	0	362.429	3.756	1	0		FHAFRM
Cc1cc(-n2nc3c4ccccc4[nH]cc-3c2=O)c(Br)s1	ZINC000137880285	206134891	/nfs/dbraw/zinc/13/48/91/206134891.db2.gz	BHOHNPCBEZYRFS-UHFFFAOYSA-N	-1	0	360.236	3.999	1	0		FHAFRM
O=C([O-])C1=C(NC(=O)/C=C/c2cc3ccccc3nc2Cl)CCCC1	ZINC000169326326	206250863	/nfs/dbraw/zinc/25/08/63/206250863.db2.gz	IGTQKGWKKCOSPJ-MDZDMXLPSA-N	-1	0	356.809	3.930	1	0		FHAFRM
CCCCCC(=O)CC/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]	ZINC000085588915	571784286	/nfs/dbraw/zinc/78/42/86/571784286.db2.gz	FPRPRBFSKMFXRV-HJGGDGFVSA-N	-1	0	352.471	3.561	1	0	endogenous,in-man	FHAFRM
CO[P@](=O)([O-])/C=C/[C@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1	ZINC000006009854	204233499	/nfs/dbraw/zinc/23/34/99/204233499.db2.gz	PMHATEDYHTVLRG-JARNTUPDSA-N	-1	0	372.572	3.560	1	0		FHAFRM
CSc1cc2n(c1C(=O)c1ccc(OC(C)C)cc1)CC[C@H]2C(=O)[O-]	ZINC000028225712	204877401	/nfs/dbraw/zinc/87/74/01/204877401.db2.gz	KHYWNDUKJQTVTL-CQSZACIVSA-N	-1	0	359.447	3.800	1	0		FHAFRM
COc1[n-]c(S(=O)(=O)c2ccccc2)cc(=O)c1Sc1ccccc1	ZINC000040848056	205083490	/nfs/dbraw/zinc/08/34/90/205083490.db2.gz	DGGHTFYZAIDMDO-UHFFFAOYSA-N	-1	0	373.455	3.780	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(C3CC3)cc2)c2c(F)ccc(F)c2c1=O	ZINC000045384271	205121427	/nfs/dbraw/zinc/12/14/27/205121427.db2.gz	OFILOHDYEJZLOC-UHFFFAOYSA-N	-1	0	355.340	3.904	1	0		FHAFRM
O=C([O-])[C@@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccc2ccccc2c1	ZINC000049073433	205168401	/nfs/dbraw/zinc/16/84/01/205168401.db2.gz	BALIYMHAXSQORG-GOSISDBHSA-N	-1	0	355.340	3.544	1	0		FHAFRM
C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118919919	206104100	/nfs/dbraw/zinc/10/41/00/206104100.db2.gz	WQUYUZJNAIWNRJ-VLAOFCIISA-N	-1	0	364.526	3.698	1	0		FHAFRM
CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)[N-]C2=O)c1	ZINC000027179854	581095062	/nfs/dbraw/zinc/09/50/62/581095062.db2.gz	PSRCPDFTPXSARE-LJQANCHMSA-N	-1	0	369.417	3.795	1	0		FHAFRM
Cc1cc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)ccn1	ZINC000000586501	219304389	/nfs/dbraw/zinc/30/43/89/219304389.db2.gz	HZPZUNBCOVBWIQ-UHFFFAOYSA-N	-1	0	356.328	3.683	1	0		FHAFRM
CC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c21	ZINC000006733323	204264997	/nfs/dbraw/zinc/26/49/97/204264997.db2.gz	OCRFJQHVDVDJIO-UHFFFAOYSA-N	-1	0	361.394	3.674	1	0		FHAFRM
O=C1c2c(cc(OCc3nnn[n-]3)c(Cl)c2Cl)CC12CCCCC2	ZINC000039220356	205044473	/nfs/dbraw/zinc/04/44/73/205044473.db2.gz	STIREQLPBKTXAN-UHFFFAOYSA-N	-1	0	367.236	3.775	1	0		FHAFRM
COc1cccc(Nc2c3cnn(-c4ccccc4)c3ncc2C(=O)[O-])c1	ZINC000040423655	205070334	/nfs/dbraw/zinc/07/03/34/205070334.db2.gz	RREMYBUOZONATG-UHFFFAOYSA-N	-1	0	360.373	3.871	1	0		FHAFRM
O=C1CCCC[C@@H]1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000040394453	205068163	/nfs/dbraw/zinc/06/81/63/205068163.db2.gz	IGFIMXQETAEFKU-LBPRGKRZSA-N	-1	0	355.765	3.612	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(-c3cccnc3)cc2)c2cccc(F)c2c1=O	ZINC000045391766	205122109	/nfs/dbraw/zinc/12/21/09/205122109.db2.gz	RWAHKTYMXPBNIM-UHFFFAOYSA-N	-1	0	374.371	3.949	1	0		FHAFRM
O=S(=O)([N-]c1ccncc1Nc1ccc(Cl)cc1)C(F)(F)F	ZINC000049017979	205166906	/nfs/dbraw/zinc/16/69/06/205166906.db2.gz	BJSHRSBHYAVRGG-UHFFFAOYSA-N	-1	0	351.737	3.740	1	0		FHAFRM
COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@@H]2C(=O)[O-])cc1	ZINC000049070773	205169048	/nfs/dbraw/zinc/16/90/48/205169048.db2.gz	SUVKPLCUUSSDHW-LVSFSLPKSA-N	-1	0	370.401	3.568	1	0		FHAFRM
O=C([O-])[C@@H]1C=C[C@@H]2C[C@H]3[C@H](Cc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43	ZINC000072181118	205501773	/nfs/dbraw/zinc/50/17/73/205501773.db2.gz	DXINWPCQBUXMER-STJBOKOVSA-N	-1	0	350.414	3.529	1	0		FHAFRM
O=C([O-])c1cc(C(F)(F)F)ccc1C(=O)Nc1ccc2c(n1)CCCC2	ZINC000103233800	205990387	/nfs/dbraw/zinc/99/03/87/205990387.db2.gz	GGNQGWGMXHHBCE-UHFFFAOYSA-N	-1	0	364.323	3.930	1	0		FHAFRM
Cc1ccc(-c2nnc([N-]S(=O)(=O)c3cccc(Cl)c3)s2)cc1	ZINC000103299508	205993674	/nfs/dbraw/zinc/99/36/74/205993674.db2.gz	URLLJVKDEDRWTQ-UHFFFAOYSA-N	-1	0	365.867	3.968	1	0		FHAFRM
O=C([O-])c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3[nH]2)c1	ZINC000103181455	206232164	/nfs/dbraw/zinc/23/21/64/206232164.db2.gz	QIMKQUQMOYMFRC-UHFFFAOYSA-N	-1	0	361.810	3.645	1	0		FHAFRM
CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)[O-]	ZINC000169316660	206250166	/nfs/dbraw/zinc/25/01/66/206250166.db2.gz	CVWUEAVZYKFDAH-ZQAFEEHCSA-N	-1	0	368.514	3.987	1	0		FHAFRM
CCCC(=O)c1c2c(c([O-])c3c(CCC)cc(=O)oc13)C[C@H](O)C(C)(C)O2	ZINC000014586085	571712924	/nfs/dbraw/zinc/71/29/24/571712924.db2.gz	JKOPHYFSGRCMOF-AWEZNQCLSA-N	-1	0	374.433	3.508	1	0	endogenous,in-man	FHAFRM
CC1(C)Oc2ccc3c(=O)cc(-c4ccc(F)cc4)oc3c2[C@@H]1C(=O)[O-]	ZINC000005742409	204223522	/nfs/dbraw/zinc/22/35/22/204223522.db2.gz	BNXPSWIKHDGCLZ-QGZVFWFLSA-N	-1	0	354.333	3.938	1	0		FHAFRM
CCCNc1ccnc(NC(=O)C2(C[C@@H](CCC)C(=O)[O-])CCCC2)n1	ZINC000035900425	204998985	/nfs/dbraw/zinc/99/89/85/204998985.db2.gz	REUQZHBGAKLLHL-CQSZACIVSA-N	-1	0	362.474	3.688	1	0		FHAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(OCc3ccccc3)c(F)c21	ZINC000040916878	205085487	/nfs/dbraw/zinc/08/54/87/205085487.db2.gz	FGIPLRYRJRASLL-UHFFFAOYSA-N	-1	0	359.328	3.577	1	0		FHAFRM
O=C1[N-]C(=O)[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)O1	ZINC000045375168	205121230	/nfs/dbraw/zinc/12/12/30/205121230.db2.gz	NQNSVFXDBXNFOJ-CQSZACIVSA-N	-1	0	352.173	3.963	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccccc2C(F)(F)F)c2cccc(F)c2c1=O	ZINC000045394222	205122132	/nfs/dbraw/zinc/12/21/32/205122132.db2.gz	PNRANRPXVCGIQX-UHFFFAOYSA-N	-1	0	365.282	3.906	1	0		FHAFRM
CCCCC(=O)n1c2ccccc2nc1-c1ccc(S(=O)(=O)[O-])cc1	ZINC000066258825	205364996	/nfs/dbraw/zinc/36/49/96/205364996.db2.gz	HPNDNFOSUMHZJQ-UHFFFAOYSA-N	-1	0	358.419	3.780	1	0		FHAFRM
O=C1c2c(cc(OCc3nnn[n-]3)c(Cl)c2Cl)C[C@H]1C1CCCC1	ZINC000169345787	206253809	/nfs/dbraw/zinc/25/38/09/206253809.db2.gz	IWHPTUQOOXWZGU-JTQLQIEISA-N	-1	0	367.236	3.631	1	0		FHAFRM
CN(C/C=C/c1ccc(C[C@@H](C(=O)[O-])n2cccc2)cc1)c1ccccn1	ZINC000040403979	581099411	/nfs/dbraw/zinc/09/94/11/581099411.db2.gz	NUFSAZSMSFQENI-YJJPMGAVSA-N	-1	0	361.445	3.901	1	0		FHAFRM
CNc1cccc(CCOc2ccc3c(CCC(=O)[O-])csc3c2)n1	ZINC000001491430	204010784	/nfs/dbraw/zinc/01/07/84/204010784.db2.gz	YJJAVNJAKKVPJI-UHFFFAOYSA-N	-1	0	356.447	3.977	1	0		FHAFRM
CCSc1ccc2c(c1)c([O-])c(C(=O)N(C)c1ccccc1)c(=O)n2C	ZINC000003784616	204110270	/nfs/dbraw/zinc/11/02/70/204110270.db2.gz	XLSFNDGKFXENKA-UHFFFAOYSA-N	-1	0	368.458	3.633	1	0		FHAFRM
C[C@]12CC[C@H]3c4ccc(OC(=O)CCC(=O)[O-])cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000003983990	204117238	/nfs/dbraw/zinc/11/72/38/204117238.db2.gz	VSHNBNRUBKFQCR-SUWCGCSTSA-N	-1	0	370.445	3.882	1	0	in-vitro	FHAFRM
O=C([O-])CCCCCCN1C(=O)CC[C@@H]1/C=C/[C@H](O)C1CCCCC1	ZINC000013488379	204532905	/nfs/dbraw/zinc/53/29/05/204532905.db2.gz	RSHHWIMRRJFJJN-NTLDXJMESA-N	-1	0	351.487	3.510	1	0		FHAFRM
COc1ccc2sc(C(=O)NCCCCC(=O)[O-])c(OC(C)C)c2c1	ZINC000013603764	204538358	/nfs/dbraw/zinc/53/83/58/204538358.db2.gz	MIZMZEKNLCQHCI-UHFFFAOYSA-N	-1	0	365.451	3.682	1	0		FHAFRM
O=C([O-])C1(c2ccc3c(c2)OC[C@H](Cc2cccs2)[C@H]3O)CCCC1	ZINC000026383995	204849988	/nfs/dbraw/zinc/84/99/88/204849988.db2.gz	NFYOOBNPQHUPPL-SCLBCKFNSA-N	-1	0	358.459	3.929	1	0		FHAFRM
C[C@@H](C(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C	ZINC000026391568	204849998	/nfs/dbraw/zinc/84/99/98/204849998.db2.gz	VFTOBPQVFABRND-BESVGFILSA-N	-1	0	359.510	3.963	1	0		FHAFRM
C[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)[O-]	ZINC000040393259	205068167	/nfs/dbraw/zinc/06/81/67/205068167.db2.gz	KADANUMXYOOTIX-SECBINFHSA-N	-1	0	360.826	3.987	1	0		FHAFRM
O=C([O-])c1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1	ZINC000073196690	205568817	/nfs/dbraw/zinc/56/88/17/205568817.db2.gz	JPYDFQSDFQSWJU-HNNXBMFYSA-N	-1	0	368.780	3.777	1	0		FHAFRM
O=C([O-])Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1	ZINC000084653072	205658704	/nfs/dbraw/zinc/65/87/04/205658704.db2.gz	DUSPKEDTPSIUHL-UHFFFAOYSA-N	-1	0	374.396	3.818	1	0		FHAFRM
O=C([O-])c1cc(C(F)(F)F)ccc1N1CC(Oc2ccc(F)cc2)C1	ZINC000103251172	205990376	/nfs/dbraw/zinc/99/03/76/205990376.db2.gz	BFLPLSPELJPCJL-UHFFFAOYSA-N	-1	0	355.287	3.810	1	0		FHAFRM
Cc1cc(OCCn2nc(C(=O)[O-])c3ccccc3c2=O)ccc1C(C)C	ZINC000003323739	204091020	/nfs/dbraw/zinc/09/10/20/204091020.db2.gz	APKCVVVMNGSCSS-UHFFFAOYSA-N	-1	0	366.417	3.606	3	0		FHAFRM
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)[O-])n1-c1ccccc1	ZINC000004959804	204180540	/nfs/dbraw/zinc/18/05/40/204180540.db2.gz	YOOZJGLRFZORPE-LBPRGKRZSA-N	-1	0	355.419	3.508	3	0		FHAFRM
CCO[C@@H]1OC(C(=O)[O-])=C[C@H](c2csc3ccccc32)[C@H]1CCCO	ZINC000013634749	204540335	/nfs/dbraw/zinc/54/03/35/204540335.db2.gz	WPQFRGANSMXDLW-BIENJYKASA-N	-1	0	362.447	3.735	3	0		FHAFRM
CO[C@H]1OC(=O)C2=C1[C@]1(C)CC[C@@H]3[C@](C)(CCC[C@]3(C)C(=O)[O-])[C@H]1CC2	ZINC000038963205	205044178	/nfs/dbraw/zinc/04/41/78/205044178.db2.gz	APEVQNKHLPKOPW-SOEYYFHNSA-N	-1	0	362.466	3.920	1	0		FHAFRM
O=C(C[P@@](=O)([O-])Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F	ZINC000040975863	205085816	/nfs/dbraw/zinc/08/58/16/205085816.db2.gz	NPJHHFQUDATZOA-UHFFFAOYSA-N	-1	0	366.178	3.829	1	0		FHAFRM
O=C([O-])Cc1ccccc1S(=O)(=O)c1ccc(-c2ccccc2)cc1	ZINC000045285871	205119061	/nfs/dbraw/zinc/11/90/61/205119061.db2.gz	HGICQEUHJFERNR-UHFFFAOYSA-N	-1	0	352.411	3.814	1	0	in-vivo	FHAFRM
O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)cccc2c1=O	ZINC000043169352	205101631	/nfs/dbraw/zinc/10/16/31/205101631.db2.gz	IMLMBMPMFIUNGR-UHFFFAOYSA-N	-1	0	365.282	3.906	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2ccncc2c1=O	ZINC000049111264	205170689	/nfs/dbraw/zinc/17/06/89/205170689.db2.gz	QVPKHRFTCWCWIQ-UHFFFAOYSA-N	-1	0	356.381	3.810	1	0		FHAFRM
CCOC[C@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(Cl)ccc1Cl	ZINC000049111114	205170741	/nfs/dbraw/zinc/17/07/41/205170741.db2.gz	ZVZRZJBJTSLCRZ-INIZCTEOSA-N	-1	0	358.221	3.754	1	0		FHAFRM
CC(C)=CCN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1	ZINC000084603510	205656516	/nfs/dbraw/zinc/65/65/16/205656516.db2.gz	GBDIOYHFVKWKRL-UHFFFAOYSA-N	-1	0	359.447	3.855	1	0		FHAFRM
Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2ccccc2n1CC(=O)[O-]	ZINC000117015518	206102280	/nfs/dbraw/zinc/10/22/80/206102280.db2.gz	DHXXOIFBEVMKQX-UHFFFAOYSA-N	-1	0	372.424	3.911	1	0		FHAFRM
COc1ccc2cc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)ccc2c1OC	ZINC000001642266	204014982	/nfs/dbraw/zinc/01/49/82/204014982.db2.gz	VEJNLXWVSVKGOU-UHFFFAOYSA-N	-1	0	367.357	3.513	1	0		FHAFRM
C[C@]12CC[C@H]3c4ccc(OC(=O)CCC(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O	ZINC000003872514	204112617	/nfs/dbraw/zinc/11/26/17/204112617.db2.gz	VSHNBNRUBKFQCR-ORGXJRBJSA-N	-1	0	370.445	3.882	1	0	in-vitro	FHAFRM
CCCCC/C=C\C[C@H]1O[C@H]([C@H](O)C/C=C\CCCC(=O)[O-])C[C@@H]1O	ZINC000028895927	204891027	/nfs/dbraw/zinc/89/10/27/204891027.db2.gz	AWZVRICAMPEGBC-KZNJAZBLSA-N	-1	0	354.487	3.594	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)C(=O)CCC2	ZINC000049069203	205168359	/nfs/dbraw/zinc/16/83/59/205168359.db2.gz	MYKNPZWQOUAWNO-UHFFFAOYSA-N	-1	0	373.408	3.781	1	0		FHAFRM
O=C([O-])CCCCCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F	ZINC000034513577	209860491	/nfs/dbraw/zinc/86/04/91/209860491.db2.gz	OYDDTBFTUCDZIE-UHFFFAOYSA-N	-1	0	353.287	3.537	1	0		FHAFRM
COc1cc(OC)c(C(=O)c2ccccc2C)c([O-])c1Br	ZINC000103224015	209249873	/nfs/dbraw/zinc/24/98/73/209249873.db2.gz	WZXUTOKELKERCW-UHFFFAOYSA-N	-1	0	351.196	3.711	1	0		FHAFRM
COc1cc(OC)c(C(=O)c2ccccc2F)c([O-])c1Br	ZINC000103201762	209248418	/nfs/dbraw/zinc/24/84/18/209248418.db2.gz	AWQFYWYWEJFPCP-UHFFFAOYSA-N	-1	0	355.159	3.542	1	0		FHAFRM
Cc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1	ZINC000101177137	209221289	/nfs/dbraw/zinc/22/12/89/209221289.db2.gz	DDWMZHCMTVCIHJ-UHFFFAOYSA-N	-1	0	371.396	3.652	1	0		FHAFRM
CCn1c2ccccc2c(CC(=O)Nc2ccccc2OC)c1C(=O)[O-]	ZINC000004116131	207000797	/nfs/dbraw/zinc/00/07/97/207000797.db2.gz	ZXSLQSQKGULOFZ-UHFFFAOYSA-N	-1	0	352.390	3.549	3	0		FHAFRM
CCCOC1=C(C(=O)[O-])[C@H](c2ccc3c(c2)OCO3)Oc2ccccc21	ZINC000013473338	207461630	/nfs/dbraw/zinc/46/16/30/207461630.db2.gz	WESUKUIFGNEJJQ-SFHVURJKSA-N	-1	0	354.358	3.771	1	0		FHAFRM
CC(=O)c1cc(Cl)c(C)cc1OCC(=O)Nc1ccccc1C(=O)[O-]	ZINC000028644124	207970673	/nfs/dbraw/zinc/97/06/73/207970673.db2.gz	KZOIPDRGTAZXKV-UHFFFAOYSA-N	-1	0	361.781	3.567	1	0		FHAFRM
COc1cc2c(c(OC)c1OC)CC(C)=C(C)C[C@@H]2[N-]C(=O)C(F)(F)F	ZINC000038142327	208199881	/nfs/dbraw/zinc/19/98/81/208199881.db2.gz	MPAWGHQCKUVCHG-ZDUSSCGKSA-N	-1	0	373.371	3.715	1	0		FHAFRM
O=C([O-])c1cn(C2CC2)c2c(F)c(OCc3ccccc3)c(F)cc2c1=O	ZINC000040407134	208252977	/nfs/dbraw/zinc/25/29/77/208252977.db2.gz	CPCODSBGHAMIOC-UHFFFAOYSA-N	-1	0	371.339	3.892	1	0		FHAFRM
O=C([O-])c1cn(Cc2cccc(C(F)(F)F)c2)c2cccc(F)c2c1=O	ZINC000045259565	208330607	/nfs/dbraw/zinc/33/06/07/208330607.db2.gz	LGTNBWDIRWHWDH-UHFFFAOYSA-N	-1	0	365.282	3.906	1	0		FHAFRM
COc1ccc2c(c1)[P@](=O)([O-])OC(c1ccccc1)=C2Br	ZINC000049113762	208415582	/nfs/dbraw/zinc/41/55/82/208415582.db2.gz	BABMFYTZKHXRGO-UHFFFAOYSA-N	-1	0	367.135	3.757	1	0		FHAFRM
CC(=O)N1C(=O)CC[C@H]2[C@@H]3CC=C4C=C(C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000095556967	209081158	/nfs/dbraw/zinc/08/11/58/209081158.db2.gz	CLTSDAREVVASSM-JVFGBDHYSA-N	-1	0	371.477	3.698	1	0		FHAFRM
COc1ccc2c(-c3ccccc3)nn(-c3nc(C(=O)[O-])cs3)c2c1	ZINC000103254795	209250444	/nfs/dbraw/zinc/25/04/44/209250444.db2.gz	XHPRMHICBLVABY-UHFFFAOYSA-N	-1	0	351.387	3.856	1	0		FHAFRM
CCN(C(=O)c1c([O-])c2c(SC)cccc2n(C)c1=O)c1ccccc1	ZINC000102187928	209233844	/nfs/dbraw/zinc/23/38/44/209233844.db2.gz	WDMLDYHYIHRCNE-UHFFFAOYSA-N	-1	0	368.458	3.633	1	0		FHAFRM
Cc1ccc(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)[O-])CC2)cc1	ZINC000101581776	209227866	/nfs/dbraw/zinc/22/78/66/209227866.db2.gz	ZUGQHWMWOSJZBO-GASCZTMLSA-N	-1	0	352.434	3.904	1	0		FHAFRM
CC(C)(C)C(=O)Sc1ccccc1C(=O)N(CC(=O)[O-])C1CCCC1	ZINC000026990994	207926352	/nfs/dbraw/zinc/92/63/52/207926352.db2.gz	CJQXQBCAPHJCBZ-UHFFFAOYSA-N	-1	0	363.479	3.821	1	0		FHAFRM
O=C([O-])c1cn(Cc2cccc(C(F)(F)F)c2)c2c(F)cccc2c1=O	ZINC000045347492	208331191	/nfs/dbraw/zinc/33/11/91/208331191.db2.gz	IJANRSIJTGDLQR-UHFFFAOYSA-N	-1	0	365.282	3.906	1	0		FHAFRM
C[C@H]1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C(=O)[O-])C1	ZINC000049036403	208412429	/nfs/dbraw/zinc/41/24/29/208412429.db2.gz	NZBHIMJNVRNYER-ZDUSSCGKSA-N	-1	0	353.418	3.753	1	0		FHAFRM
Cc1csc(-c2cc(C(=O)[O-])c3cnn(Cc4ccncc4)c3n2)c1	ZINC000095585495	209081903	/nfs/dbraw/zinc/08/19/03/209081903.db2.gz	KCXAUHYSBZRIDP-UHFFFAOYSA-N	-1	0	350.403	3.610	1	0		FHAFRM
CC(C)C[C@@H](NC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)[O-]	ZINC000029134955	948797070	/nfs/dbraw/zinc/79/70/70/948797070.db2.gz	NRJZWCIAODZZFJ-DNVCBOLYSA-N	-1	0	367.445	3.637	1	0		FHAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2c(cccc2[O-])o1	ZINC000096903318	209160406	/nfs/dbraw/zinc/16/04/06/209160406.db2.gz	UWEQJISTSAVSHV-INIZCTEOSA-N	-1	0	368.389	3.667	1	0		FHAFRM
Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(CC(=O)[O-])cc2)n1	ZINC000004835046	207053418	/nfs/dbraw/zinc/05/34/18/207053418.db2.gz	OKUOKTLNLXNPKM-UHFFFAOYSA-N	-1	0	373.416	3.803	3	0		FHAFRM
CC(C)NC(=O)c1onc(CSc2cccc3ccccc32)c1C(=O)[O-]	ZINC000008672373	207241180	/nfs/dbraw/zinc/24/11/80/207241180.db2.gz	UDDGVIJTTKKNAQ-UHFFFAOYSA-N	-1	0	370.430	3.957	3	0		FHAFRM
O=c1[n-]c(-c2cc(Cl)ccc2O)nn1-c1ccc(C(F)(F)F)cc1	ZINC000035242361	208121301	/nfs/dbraw/zinc/12/13/01/208121301.db2.gz	ZOOQSLLVAOEAPI-UHFFFAOYSA-N	-1	0	355.703	3.605	1	0		FHAFRM
O=C1[N-]C(=O)N(Cc2ccccc2)/C1=C/c1ccc(Br)cc1	ZINC000040974578	208278405	/nfs/dbraw/zinc/27/84/05/208278405.db2.gz	CBDWPPSDEZADAC-XNTDXEJSSA-N	-1	0	357.207	3.542	1	0		FHAFRM
CC1(C)CCc2c(-c3coc4cc([O-])cc(O)c4c3=O)ccc(O)c2O1	ZINC000040422168	208252019	/nfs/dbraw/zinc/25/20/19/208252019.db2.gz	CFGUDCVYJGCIHR-UHFFFAOYSA-N	-1	0	354.358	3.680	1	0		FHAFRM
CC(C)C[C@H](NC(=O)c1conc1-c1ccc(C(C)(C)C)cc1)C(=O)[O-]	ZINC000045231067	208327872	/nfs/dbraw/zinc/32/78/72/208327872.db2.gz	OGFXBUXJFBCHMH-INIZCTEOSA-N	-1	0	358.438	3.868	1	0		FHAFRM
O=C([O-])CN1C(=O)S/C(=C\c2ccc(Oc3ccccc3)cc2)C1=O	ZINC000066262650	208697914	/nfs/dbraw/zinc/69/79/14/208697914.db2.gz	DXXUCYIEDLGBND-GDNBJRDFSA-N	-1	0	355.371	3.600	1	0		FHAFRM
CCO[P@](=O)([O-])[C@H](CCNC(C)=O)c1ccccc1-c1cccnc1	ZINC000072108824	517721404	/nfs/dbraw/zinc/72/14/04/517721404.db2.gz	RIKJENCFZYNPEC-GOSISDBHSA-N	-1	0	362.366	3.538	1	0		FHAFRM
C[C@@H](CC(=O)[O-])c1c2c(c(O)c3c1O[C@H](C)[C@H](C)C3=O)C=CC(C)(C)O2	ZINC000013407815	291078350	/nfs/dbraw/zinc/07/83/50/291078350.db2.gz	MRVZBYVLLGHZED-GARJFASQSA-N	-1	0	360.406	3.754	1	0	biogenic,in-vitro	FHAFRM
C[C@@H]1Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)cc4)oc-3c2C1(C)C	ZINC000014825098	291078516	/nfs/dbraw/zinc/07/85/16/291078516.db2.gz	JTPIWPQEKWCNEL-VIFPVBQESA-N	-1	0	354.358	3.635	1	0	biogenic,in-vitro	FHAFRM
COC(=O)c1cccc(-c2ccc3ccc(Br)c(O)c3n2)n1	ZINC000103269047	209250829	/nfs/dbraw/zinc/25/08/29/209250829.db2.gz	VEOYCKVGIOAVEX-UHFFFAOYSA-N	-1	0	359.179	3.552	1	0		FHAFRM
CCOc1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)[O-])cc1	ZINC000101684227	209228434	/nfs/dbraw/zinc/22/84/34/209228434.db2.gz	SYGAZOVHPXYSAU-SCTDSRPQSA-N	-1	0	361.482	3.660	1	0		FHAFRM
O=C([O-])Cn1cc(/C=C(\Cl)C(=O)Nc2ccccc2)c2ccccc21	ZINC000096271130	209148452	/nfs/dbraw/zinc/14/84/52/209148452.db2.gz	QYKMDIWFXQMDFZ-YBEGLDIGSA-N	-1	0	354.793	3.944	1	0		FHAFRM
CCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000005524081	207103428	/nfs/dbraw/zinc/10/34/28/207103428.db2.gz	MZAHTFRWCPFQFD-KHBONWNZSA-N	-1	0	368.514	3.865	1	0		FHAFRM
O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)C1	ZINC000006751410	207160969	/nfs/dbraw/zinc/16/09/69/207160969.db2.gz	QFQWRDQWSABSDX-AWEZNQCLSA-N	-1	0	354.431	3.629	1	0		FHAFRM
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(=O)[O-])c1Cl	ZINC000013438057	207461594	/nfs/dbraw/zinc/46/15/94/207461594.db2.gz	QSMQSFSRWWOFAN-UHFFFAOYSA-N	-1	0	353.205	3.860	1	0		FHAFRM
CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3sc(=S)[n-]n32)s1	ZINC000028827000	207976034	/nfs/dbraw/zinc/97/60/34/207976034.db2.gz	CQXNVBMFPGFTDX-UHFFFAOYSA-N	-1	0	373.488	3.828	1	0		FHAFRM
Cc1cc(-c2nc3c(cc2F)c(=O)c2c([O-])nsc2n3C2CC2)ccn1	ZINC000035090195	208120200	/nfs/dbraw/zinc/12/02/00/208120200.db2.gz	NLERXTADXPLVFY-UHFFFAOYSA-N	-1	0	368.393	3.556	1	0		FHAFRM
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000059066194	208589063	/nfs/dbraw/zinc/58/90/63/208589063.db2.gz	ZMITXKRGXGRMKS-XRJZGPCZSA-N	-1	0	370.511	3.786	1	0	in-vitro	FHAFRM
Cc1ccsc1-c1cc(C(=O)[O-])c2cnn(Cc3ccncc3)c2n1	ZINC000095585186	209081533	/nfs/dbraw/zinc/08/15/33/209081533.db2.gz	BFHSYHGLYPLEOJ-UHFFFAOYSA-N	-1	0	350.403	3.610	1	0		FHAFRM
CCc1cc(=O)n2nc(SCc3cc(Cl)ccc3Cl)[n-]c2n1	ZINC000095579616	209082226	/nfs/dbraw/zinc/08/22/26/209082226.db2.gz	HVAYQTZQQDSNCH-UHFFFAOYSA-N	-1	0	355.250	3.991	1	0	in-vitro	FHAFRM
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@H]1CCC2=O	ZINC000085589891	574416725	/nfs/dbraw/zinc/41/67/25/574416725.db2.gz	ZMITXKRGXGRMKS-QOFVRUKASA-N	-1	0	370.511	3.786	1	0	endogenous,in-man	FHAFRM
CC(C)C[C@H](NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12)C(=O)[O-]	ZINC000103229309	209249676	/nfs/dbraw/zinc/24/96/76/209249676.db2.gz	JJQZLGHDHPDOEO-OMYXNUHHSA-N	-1	0	363.457	3.899	1	0		FHAFRM
O=C([O-])c1ccc2nc(-n3[n-]c4c(c3=O)-c3ccccc3CC4)sc2c1	ZINC000101463412	209226434	/nfs/dbraw/zinc/22/64/34/209226434.db2.gz	OFKOVQRGERBWJZ-UHFFFAOYSA-N	-1	0	363.398	3.651	1	0		FHAFRM
CSc1ccc2c(c1)c(=O)c(C(=O)N(C)c1ccccc1)c([S-])n2C	ZINC000100834008	209219002	/nfs/dbraw/zinc/21/90/02/209219002.db2.gz	YCFURLWRYUFOCH-UHFFFAOYSA-N	-1	0	370.499	3.826	1	0		FHAFRM
CCO[C@H]1OC(C(=O)[O-])=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO	ZINC000013634606	220080191	/nfs/dbraw/zinc/08/01/91/220080191.db2.gz	OJHZGGMQRDQLCI-ZQIUZPCESA-N	-1	0	374.355	3.539	3	0		FHAFRM
COc1ccc([C@H]2NC(=S)N=C(c3ccc(C)cc3)C2CC(=O)[O-])cc1	ZINC000029413334	207992022	/nfs/dbraw/zinc/99/20/22/207992022.db2.gz	VXTRKPQOGHUTOB-LJQANCHMSA-N	-1	0	368.458	3.820	1	0		FHAFRM
O=C([O-])C(=O)c1ccc(-n2cc(-c3ccc(-c4ccccc4)cc3)nn2)cc1	ZINC000028640398	207968649	/nfs/dbraw/zinc/96/86/49/207968649.db2.gz	BIDPKIWZFVFNPK-UHFFFAOYSA-N	-1	0	369.380	3.869	1	0		FHAFRM
O=C1CN(c2c(Cl)sc(-c3ccccc3)c2Cl)S(=O)(=O)[N-]1	ZINC000028886905	207978440	/nfs/dbraw/zinc/97/84/40/207978440.db2.gz	WAMDTAMGZONJDY-UHFFFAOYSA-N	-1	0	363.247	3.743	1	0		FHAFRM
COc1ccc2cc(-c3cccc(C(=O)[O-])c3)cc(CCNC(C)=O)c2c1	ZINC000040421177	208251965	/nfs/dbraw/zinc/25/19/65/208251965.db2.gz	FEMYGWCVZJKDNV-UHFFFAOYSA-N	-1	0	363.413	3.892	1	0	in-vitro	FHAFRM
CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(OC)cc3)C2)c1)C(=O)[O-]	ZINC000040413096	208252936	/nfs/dbraw/zinc/25/29/36/208252936.db2.gz	MHNZLJLTXWIQEE-UXHICEINSA-N	-1	0	369.417	3.593	1	0		FHAFRM
O=c1cc(-c2ccccc2)c2c([O-])cc(I)cc2o1	ZINC000042988473	208298276	/nfs/dbraw/zinc/29/82/76/208298276.db2.gz	KWFOXHLUMPOEPC-UHFFFAOYSA-N	-1	0	364.138	3.770	1	0		FHAFRM
COc1ccc2c(ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2[O-])c1	ZINC000045497280	208334724	/nfs/dbraw/zinc/33/47/24/208334724.db2.gz	IRGONGYTFZACNS-UHFFFAOYSA-N	-1	0	368.385	3.811	1	0		FHAFRM
COCC[C@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(Cl)ccc1Cl	ZINC000049067028	208412470	/nfs/dbraw/zinc/41/24/70/208412470.db2.gz	BXSCSPIJBGRDND-MRXNPFEDSA-N	-1	0	358.221	3.754	1	0		FHAFRM
O=C([O-])C[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1	ZINC000049087630	208413939	/nfs/dbraw/zinc/41/39/39/208413939.db2.gz	ZXKHSLXWLSWHDI-LJQANCHMSA-N	-1	0	351.377	3.795	1	0		FHAFRM
COc1ccc(Cn2ncc3c2nc(Nc2ccccc2)cc3C(=O)[O-])cc1	ZINC000095583173	209081597	/nfs/dbraw/zinc/08/15/97/209081597.db2.gz	UMOGEJKNULAFLY-UHFFFAOYSA-N	-1	0	374.400	3.930	1	0		FHAFRM
Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C2CCCCCC2)c1	ZINC000013861076	581092901	/nfs/dbraw/zinc/09/29/01/581092901.db2.gz	AMEFGKQQBOIUOK-MSOLQXFVSA-N	-1	0	364.482	3.707	1	0		FHAFRM
CC(=O)[C@@]12CCC(C)=CC[C@]13CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O	ZINC000070455100	291075173	/nfs/dbraw/zinc/07/51/73/291075173.db2.gz	RLMSZFYLXGZYPL-JOCRUOLFSA-N	-1	0	372.461	3.991	1	0	biogenic,in-vitro	FHAFRM
CC(C)c1cc(Cn2ccc3c2cccc3NC(=O)C(=O)[O-])ccc1O	ZINC000103239828	209249524	/nfs/dbraw/zinc/24/95/24/209249524.db2.gz	AHPLOHJAEWIFEV-UHFFFAOYSA-N	-1	0	352.390	3.542	1	0		FHAFRM
CCO[C@H]1OC(C(=O)[O-])=C[C@@H](c2csc3ccccc32)[C@@H]1CCCO	ZINC000013634732	220080125	/nfs/dbraw/zinc/08/01/25/220080125.db2.gz	WPQFRGANSMXDLW-KSMMKXTCSA-N	-1	0	362.447	3.735	3	0		FHAFRM
O=C([O-])c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)s1	ZINC000008345722	207230907	/nfs/dbraw/zinc/23/09/07/207230907.db2.gz	WCVBZLJRBGAIRL-UHFFFAOYSA-N	-1	0	353.204	3.521	3	0		FHAFRM
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)[O-])Nc2cc(Cl)cc(Cl)c21	ZINC000013455225	207462157	/nfs/dbraw/zinc/46/21/57/207462157.db2.gz	QSPHJSYDRTUERE-GHMZBOCLSA-N	-1	0	361.225	3.828	1	0		FHAFRM
O=C([O-])c1ccc(C(=O)c2ccc(C(=O)c3ccc4c(c3)OCO4)cc2)cc1	ZINC000013740020	207481074	/nfs/dbraw/zinc/48/10/74/207481074.db2.gz	ICBSTSXIDCGGPG-UHFFFAOYSA-N	-1	0	374.348	3.576	1	0		FHAFRM
CCCCC/C=C\C[C@H]1O[C@H]([C@@H](O)C/C=C\CCCC(=O)[O-])C[C@@H]1O	ZINC000028895959	207977182	/nfs/dbraw/zinc/97/71/82/207977182.db2.gz	AWZVRICAMPEGBC-RVVOODAMSA-N	-1	0	354.487	3.594	1	0		FHAFRM
CCCNc1ccnc(NC(=O)C2(C[C@H](CCC)C(=O)[O-])CCCC2)n1	ZINC000035900424	208137821	/nfs/dbraw/zinc/13/78/21/208137821.db2.gz	REUQZHBGAKLLHL-AWEZNQCLSA-N	-1	0	362.474	3.688	1	0		FHAFRM
COc1ccc(-c2cn(CCC(=O)[O-])c(-c3ccc(Cl)nc3)n2)cc1	ZINC000036387388	208161073	/nfs/dbraw/zinc/16/10/73/208161073.db2.gz	LBJSEZNVOYWDPC-UHFFFAOYSA-N	-1	0	357.797	3.749	3	0		FHAFRM
CC(=O)Nc1nc(C)c(-c2cnc(Nc3cccc(C(=O)[O-])c3)o2)s1	ZINC000095560570	209081088	/nfs/dbraw/zinc/08/10/88/209081088.db2.gz	FSPSBPWQYZGGSM-UHFFFAOYSA-N	-1	0	358.379	3.507	1	0		FHAFRM
CCc1cc(Oc2c3c(c(NC(=O)CC(=O)[O-])cc2C)CCC3)ccc1O	ZINC000095594153	209084161	/nfs/dbraw/zinc/08/41/61/209084161.db2.gz	XSRIPYSSPXVKKY-UHFFFAOYSA-N	-1	0	369.417	3.957	1	0		FHAFRM
O=c1c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)nc2nc2[n-]ncn21	ZINC000102845625	209241966	/nfs/dbraw/zinc/24/19/66/209241966.db2.gz	XSFSDEWCHYCDBF-UHFFFAOYSA-N	-1	0	373.803	3.953	1	0		FHAFRM
Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@](C)(C(=O)[O-])OC1	ZINC000101456279	209226876	/nfs/dbraw/zinc/22/68/76/209226876.db2.gz	CKMOMMWDPGJJAW-GSXCWMCISA-N	-1	0	359.422	3.827	1	0		FHAFRM
COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)[O-])cc4)nn32)cc1	ZINC000096282540	209150398	/nfs/dbraw/zinc/15/03/98/209150398.db2.gz	WXPWSRBWEWEAMR-UHFFFAOYSA-N	-1	0	360.373	3.847	1	0		FHAFRM
CC(C)NC(=O)c1onc(CSc2ccc(C(C)C)cc2)c1C(=O)[O-]	ZINC000008672390	207241105	/nfs/dbraw/zinc/24/11/05/207241105.db2.gz	YAAIOYQSSKQRHO-UHFFFAOYSA-N	-1	0	362.451	3.927	3	0		FHAFRM
Cc1cccc(Cl)c1Nc1nc2c(ccc3c2C(=O)[N-]C(=O)C3(C)C)[nH]1	ZINC000013475183	207463042	/nfs/dbraw/zinc/46/30/42/207463042.db2.gz	WDMYTYYNCYQJQX-UHFFFAOYSA-N	-1	0	368.824	3.816	1	0		FHAFRM
O=C([O-])CCCOc1ccc(C(=O)NC2CCCC2)c(Cl)c1Cl	ZINC000029476541	207991052	/nfs/dbraw/zinc/99/10/52/207991052.db2.gz	YZFXLNQGNVUBHY-UHFFFAOYSA-N	-1	0	360.237	3.909	1	0		FHAFRM
C[C@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)[O-]	ZINC000040393258	208250405	/nfs/dbraw/zinc/25/04/05/208250405.db2.gz	KADANUMXYOOTIX-VIFPVBQESA-N	-1	0	360.826	3.987	1	0		FHAFRM
O=C([O-])/C=C/c1cn(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc12	ZINC000045291436	208329576	/nfs/dbraw/zinc/32/95/76/208329576.db2.gz	VTHRNXFOWMHJHW-KZZDLZNXSA-N	-1	0	361.353	3.821	1	0		FHAFRM
C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)[O-])cc(C(F)(F)F)c1O2	ZINC000084672067	208960689	/nfs/dbraw/zinc/96/06/89/208960689.db2.gz	UWFPKTAVBDMQOD-JEIZZZKLSA-N	-1	0	358.356	3.894	1	0		FHAFRM
CC(C)C[C@@H](NC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12)C(=O)[O-]	ZINC000103229312	209249890	/nfs/dbraw/zinc/24/98/90/209249890.db2.gz	JJQZLGHDHPDOEO-RKDVLTNBSA-N	-1	0	363.457	3.899	1	0		FHAFRM
Cc1cc2c(cccc2NC(=O)C(=O)[O-])n1Cc1ccc(O)c(C(C)C)c1	ZINC000103239820	209249747	/nfs/dbraw/zinc/24/97/47/209249747.db2.gz	NUVOUOHXOKZTQW-UHFFFAOYSA-N	-1	0	366.417	3.850	1	0		FHAFRM
COc1cc(OC)c(C(=O)c2cccc(C)c2)c([O-])c1Br	ZINC000103224018	209249910	/nfs/dbraw/zinc/24/99/10/209249910.db2.gz	JXBCUGSBCBLJRR-UHFFFAOYSA-N	-1	0	351.196	3.711	1	0		FHAFRM
CCCCCC[C@H]1CC[C@@]2(NC(=O)NC2=O)[C@@H]1CCCCCCC(=O)[O-]	ZINC000004214336	207007848	/nfs/dbraw/zinc/00/78/48/207007848.db2.gz	FFUQYYWTQVXVNM-RZQQEMMASA-N	-1	0	366.502	3.986	1	0	in-man	FHAFRM
Cc1ccc(CNC(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])cc1	ZINC000006820550	207170655	/nfs/dbraw/zinc/17/06/55/207170655.db2.gz	HXOLMMANNPVGKG-UHFFFAOYSA-N	-1	0	356.809	3.687	1	0		FHAFRM
Nc1nc(Nc2ccc(C(=O)[O-])cc2)ccc1C(=O)c1c(F)cccc1F	ZINC000014945636	207531682	/nfs/dbraw/zinc/53/16/82/207531682.db2.gz	CVSDWWDMOFGSDC-UHFFFAOYSA-N	-1	0	369.327	3.615	1	0		FHAFRM
COc1c(Cl)ccc2ncc(Oc3ccc(O[C@@H](C)C(=O)[O-])cc3)nc21	ZINC000029475014	207990784	/nfs/dbraw/zinc/99/07/84/207990784.db2.gz	URLWMQRMXHBGHM-JTQLQIEISA-N	-1	0	374.780	3.936	1	0		FHAFRM
O=C([O-])c1sccc1S(=O)(=O)n1c2ccccc2c2ccccc21	ZINC000028380312	207962670	/nfs/dbraw/zinc/96/26/70/207962670.db2.gz	MSZGQUMLLPVAPJ-UHFFFAOYSA-N	-1	0	357.412	3.791	1	0		FHAFRM
CCc1cc(Cc2c(C)cc(OC[P@@](=O)([O-])O)cc2C)ccc1O	ZINC000045484881	208333814	/nfs/dbraw/zinc/33/38/14/208333814.db2.gz	WSVRWYNJPONDQC-UHFFFAOYSA-N	-1	0	350.351	3.676	1	0		FHAFRM
COc1cccc2c(CC(=O)[O-])c(C)n(C(=O)c3ccc(Cl)cc3)c21	ZINC000095554223	209079679	/nfs/dbraw/zinc/07/96/79/209079679.db2.gz	IWQHEVHMLSWZRR-UHFFFAOYSA-N	-1	0	357.793	3.927	1	0		FHAFRM
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000261499512	571863694	/nfs/dbraw/zinc/86/36/94/571863694.db2.gz	ZMITXKRGXGRMKS-ZLOBMTTQSA-N	-1	0	370.511	3.786	1	0	endogenous,in-man	FHAFRM
CC(C)=CCc1c([O-])cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12	ZINC000014762748	210182416	/nfs/dbraw/zinc/18/24/16/210182416.db2.gz	KIZVKNPTBJVGLX-UHFFFAOYSA-N	-1	0	354.358	3.791	1	0		FHAFRM
COc1ccc2c(CC(=O)[O-])c(C)n(C(=O)c3ccc(Cl)cc3)c2c1	ZINC000060156804	212019678	/nfs/dbraw/zinc/01/96/78/212019678.db2.gz	BHDFWIHNHCVURQ-UHFFFAOYSA-N	-1	0	357.793	3.927	1	0		FHAFRM
CC12CCCc3cc(C(=O)Nc4ccc(C(=O)[O-])cn4)cc(c31)CCC2	ZINC000059027705	212015500	/nfs/dbraw/zinc/01/55/00/212015500.db2.gz	HMBVSKXJOJYFLK-UHFFFAOYSA-N	-1	0	350.418	3.962	1	0		FHAFRM
CC1(C)C=Cc2cc(C(=O)Nc3c([O-])c4ccccc4oc3=O)ccc2O1	ZINC000029125913	211506859	/nfs/dbraw/zinc/50/68/59/211506859.db2.gz	ZIIMFBOBJXEVQV-UHFFFAOYSA-N	-1	0	363.369	3.935	1	0		FHAFRM
CCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C/C=C/CCCC(=O)[O-]	ZINC000013524598	211036906	/nfs/dbraw/zinc/03/69/06/211036906.db2.gz	DSNBHJFQCNUKMA-GKGGCWMESA-N	-1	0	352.471	3.815	2	0		FHAFRM
CCCOC1=C(C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc21	ZINC000013473337	211035549	/nfs/dbraw/zinc/03/55/49/211035549.db2.gz	WESUKUIFGNEJJQ-GOSISDBHSA-N	-1	0	354.358	3.771	1	0		FHAFRM
Cc1c(N2CCCC(C)(C)C2)c(N)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12	ZINC000100918103	132233381	/nfs/dbraw/zinc/23/33/81/132233381.db2.gz	URJSPSRMSASQSN-UHFFFAOYSA-N	-1	0	369.465	3.552	1	0		FHAFRM
O=C([O-])Cc1cn(-c2cncc(-n3ccc4ccccc43)n2)c2ccccc12	ZINC000084669859	221726127	/nfs/dbraw/zinc/72/61/27/221726127.db2.gz	ZDYCIJOYVRTEPT-UHFFFAOYSA-N	-1	0	368.396	3.992	1	0		FHAFRM
Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)[O-])CC3)cc2)nc1C(N)=O	ZINC000101581811	222277647	/nfs/dbraw/zinc/27/76/47/222277647.db2.gz	YXFNPRHZMOGREC-GASCZTMLSA-N	-1	0	367.449	3.608	1	0		FHAFRM
CC1(C)C=Cc2c(cc3oc(-c4ccc(O)cc4O)cc(O)c-3c2=O)O1	ZINC000013414436	210181480	/nfs/dbraw/zinc/18/14/80/210181480.db2.gz	LXEJWVDCRDILQQ-UHFFFAOYSA-N	-1	0	352.342	3.761	1	0	endogenous,in-man	FHAFRM
O=C([O-])COc1ccc(-c2nocc3c(C(=O)c4ccco4)ccc2-3)cc1	ZINC000028569160	211494351	/nfs/dbraw/zinc/49/43/51/211494351.db2.gz	YBGMTXDNDRBDOZ-UHFFFAOYSA-N	-1	0	363.325	3.734	1	0		FHAFRM
CCc1noc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)c1C	ZINC000013741070	211055861	/nfs/dbraw/zinc/05/58/61/211055861.db2.gz	AQWJVXRFKWWWJT-UHFFFAOYSA-N	-1	0	359.451	3.565	1	0		FHAFRM
Cc1onc(-c2ccccc2Cl)c1C(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000013606969	211042379	/nfs/dbraw/zinc/04/23/79/211042379.db2.gz	NSCWRVACCREZFT-UHFFFAOYSA-N	-1	0	357.749	3.938	1	0		FHAFRM
CCc1ccc(CC)c(S(=O)(=O)[N-]c2onc(C)c2Br)c1	ZINC000001540806	210360262	/nfs/dbraw/zinc/36/02/62/210360262.db2.gz	OSBWUJAIYSBBKS-UHFFFAOYSA-N	-1	0	373.272	3.671	1	0		FHAFRM
Cc1[n-]n(-c2ccccc2)c(=O)c1-c1cc2c(o1)c1ccccc1oc2=O	ZINC000071294347	221340449	/nfs/dbraw/zinc/34/04/49/221340449.db2.gz	PJAUHKBMHUGRFK-UHFFFAOYSA-N	-1	0	358.353	3.994	1	0		FHAFRM
O=C([O-])Cn1c2c(c3cccc(Cl)c31)CN(C(=O)c1ccccc1)CC2	ZINC000096271036	222106873	/nfs/dbraw/zinc/10/68/73/222106873.db2.gz	SJSNYYXMOAPKKO-UHFFFAOYSA-N	-1	0	368.820	3.578	1	0		FHAFRM
CCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)[O-])oc23)cc1	ZINC000096271898	222107528	/nfs/dbraw/zinc/10/75/28/222107528.db2.gz	LYGXQSMAAKFUQK-UHFFFAOYSA-N	-1	0	367.357	3.532	1	0		FHAFRM
O=C(Nc1ccc(P(=O)([O-])[O-])cc1)c1ccc(Oc2ccccc2)cc1	ZINC000103300751	222333250	/nfs/dbraw/zinc/33/32/50/222333250.db2.gz	VSFJDOZFAPZMEZ-UHFFFAOYSA-N	-1	0	369.313	3.534	1	0		FHAFRM
Nc1ccccc1NC(=O)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000101412188	222273459	/nfs/dbraw/zinc/27/34/59/222273459.db2.gz	WUAYOXQACKJBIX-UHFFFAOYSA-N	-1	0	371.396	3.531	1	0		FHAFRM
CC1(C)C=Cc2c(O)c3c(cc2O1)O[C@H](c1c(O)cccc1O)CC3=O	ZINC000013380056	291075598	/nfs/dbraw/zinc/07/55/98/291075598.db2.gz	GLRTXWXOVXNDGS-HNNXBMFYSA-N	-1	0	354.358	3.694	1	0	biogenic,in-vitro	FHAFRM
O=C([O-])c1cc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)ccc1O	ZINC000059185440	212015795	/nfs/dbraw/zinc/01/57/95/212015795.db2.gz	XEYSKBLNBVVVMI-UHFFFAOYSA-N	-1	0	359.337	3.554	1	0		FHAFRM
COc1ccc([C@@H]2NC(=S)N=C(c3ccc(C)cc3)C2CC(=O)[O-])cc1	ZINC000029413331	211512255	/nfs/dbraw/zinc/51/22/55/211512255.db2.gz	VXTRKPQOGHUTOB-IBGZPJMESA-N	-1	0	368.458	3.820	1	0		FHAFRM
C[C@@H](NC(=O)Cc1ccc(C(=O)[O-])cc1)c1cc(Cl)ccc1N(C)C	ZINC000027559414	211468067	/nfs/dbraw/zinc/46/80/67/211468067.db2.gz	PKNMKZPILBHOLY-GFCCVEGCSA-N	-1	0	360.841	3.524	1	0		FHAFRM
CCCCC[C@H](O)CCN1C(=O)CS[C@@H]1CCCCCCC(=O)[O-]	ZINC000027098608	211460008	/nfs/dbraw/zinc/46/00/08/211460008.db2.gz	MAKBTMYLUUUASJ-DOTOQJQBSA-N	-1	0	359.532	3.644	1	0		FHAFRM
Cc1ccc(-c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)c(C)n1	ZINC000013832981	211061211	/nfs/dbraw/zinc/06/12/11/211061211.db2.gz	LINZPGCPZUIUCQ-UHFFFAOYSA-N	-1	0	370.355	3.992	1	0		FHAFRM
CCc1c(C)noc1[N-]S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000013741069	211055871	/nfs/dbraw/zinc/05/58/71/211055871.db2.gz	DITDDKVOFHIMMO-UHFFFAOYSA-N	-1	0	359.451	3.565	1	0		FHAFRM
[NH3+][C@H](C[C@H](Cc1ccc(-c2cc3ccccc3s2)cc1)C(=O)[O-])C(=O)[O-]	ZINC000013491590	211036573	/nfs/dbraw/zinc/03/65/73/211036573.db2.gz	HYHOJLYBSMDOPE-JKSUJKDBSA-N	-1	0	369.442	3.614	1	0		FHAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccccc2N(C)C)c1C	ZINC000000833991	210276810	/nfs/dbraw/zinc/27/68/10/210276810.db2.gz	DHAHVLSQWCHUOO-UHFFFAOYSA-N	-1	0	371.462	3.825	1	0		FHAFRM
O=C([O-])c1cc(Cc2ccc(-c3ccccn3)cc2)c2ccccn2c1=O	ZINC000068205433	221314409	/nfs/dbraw/zinc/31/44/09/221314409.db2.gz	YIIDWEXSVGVSEH-UHFFFAOYSA-N	-1	0	356.381	3.651	1	0		FHAFRM
CC1(C)CC(=O)C(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)=C([O-])C1	ZINC000101145518	222263845	/nfs/dbraw/zinc/26/38/45/222263845.db2.gz	XBQJRNMSSOESDV-UHFFFAOYSA-N	-1	0	361.747	3.872	1	0		FHAFRM
CC(C)C[C@@H](NC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)C(=O)[O-]	ZINC000029134951	948797033	/nfs/dbraw/zinc/79/70/33/948797033.db2.gz	NRJZWCIAODZZFJ-HNAYVOBHSA-N	-1	0	367.445	3.637	1	0		FHAFRM
CC(=O)N[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)cs1)c1ccccc1	ZINC000061906265	212027204	/nfs/dbraw/zinc/02/72/04/212027204.db2.gz	BGEGECAPZACELD-QGZVFWFLSA-N	-1	0	352.415	3.734	3	0		FHAFRM
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCCc1cccc(C(=O)[O-])c1	ZINC000013585528	211041348	/nfs/dbraw/zinc/04/13/48/211041348.db2.gz	SUKPQDCQTRREQV-IALFWVKVSA-N	-1	0	373.493	3.806	1	0		FHAFRM
CCS(=O)(=O)c1ccc(-c2cc(Cl)ccc2OCC(=O)[O-])c(C)c1	ZINC000071340639	221343568	/nfs/dbraw/zinc/34/35/68/221343568.db2.gz	LTELLSHJEKDTRM-UHFFFAOYSA-N	-1	0	368.838	3.572	1	0		FHAFRM
COc1cccc(/C=C/Cn2cc(C(=O)[O-])c(=O)c3cccc(F)c32)c1	ZINC000071418527	221347761	/nfs/dbraw/zinc/34/77/61/221347761.db2.gz	UJWAGMVNLQCCIG-GQCTYLIASA-N	-1	0	353.349	3.561	1	0		FHAFRM
C[C@H](NC(=O)Cc1cccc(C(=O)[O-])c1)c1ccccc1N1CCCCC1	ZINC000027562914	132916666	/nfs/dbraw/zinc/91/66/66/132916666.db2.gz	MADUIELAVWVYLW-INIZCTEOSA-N	-1	0	366.461	3.795	1	0		FHAFRM
CC1(C)CC[C@@H](n2c(=O)cc([O-])n(CCc3ccc(Cl)cc3)c2=O)C1	ZINC000101678297	222280193	/nfs/dbraw/zinc/28/01/93/222280193.db2.gz	ZVPGTNZAMTXWKJ-OAHLLOKOSA-N	-1	0	362.857	3.642	1	0		FHAFRM
CC1(C)CC[C@H](n2c(=O)cc([O-])n(CCc3ccc(Cl)cc3)c2=O)C1	ZINC000101678294	222280421	/nfs/dbraw/zinc/28/04/21/222280421.db2.gz	ZVPGTNZAMTXWKJ-HNNXBMFYSA-N	-1	0	362.857	3.642	1	0		FHAFRM
CC1CCC(n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)CC1	ZINC000101678217	222280575	/nfs/dbraw/zinc/28/05/75/222280575.db2.gz	QTDSYTSWQYNZSB-UHFFFAOYSA-N	-1	0	362.857	3.642	1	0		FHAFRM
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CSC3)c(F)c2)c1	ZINC000028523000	581099442	/nfs/dbraw/zinc/09/94/42/581099442.db2.gz	WYUBDBDYCRQNCK-UHFFFAOYSA-N	-1	0	373.405	3.568	1	0		FHAFRM
O=C1[N-]C(=O)C(=C(C=Cc2c[nH]c3ccccc23)c2ccccc2)C(=O)N1	ZINC000064553098	212038344	/nfs/dbraw/zinc/03/83/44/212038344.db2.gz	KUNYUBDVLYCZTB-ZHACJKMWSA-N	-1	0	357.369	3.841	1	0		FHAFRM
CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)[O-])c1C	ZINC000014965045	211108887	/nfs/dbraw/zinc/10/88/87/211108887.db2.gz	ZGIITWWNJLBTTF-UHFFFAOYSA-N	-1	0	365.426	3.976	1	0		FHAFRM
O=C([O-])Cc1ccc2c(c1)[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)C3CCCCC3)[C@H]1C2	ZINC000013899156	211063247	/nfs/dbraw/zinc/06/32/47/211063247.db2.gz	DVRDZZTXLYQUJB-MSEOUXRUSA-N	-1	0	372.505	3.672	1	0		FHAFRM
COc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1	ZINC000013782420	211060619	/nfs/dbraw/zinc/06/06/19/211060619.db2.gz	IRWKUXXPQOGSND-UHFFFAOYSA-N	-1	0	358.419	3.768	1	0		FHAFRM
CCCN(C(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O)c1ccccc1	ZINC000101210472	222265216	/nfs/dbraw/zinc/26/52/16/222265216.db2.gz	WOXJTIYXWABWRX-UHFFFAOYSA-N	-1	0	370.836	3.954	1	0		FHAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCC[C@H]1O	ZINC000103205810	222325419	/nfs/dbraw/zinc/32/54/19/222325419.db2.gz	JSGSCRWSGFLCOR-OLZOCXBDSA-N	-1	0	371.808	3.794	1	0		FHAFRM
CC(C)C[C@@H](NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12)C(=O)[O-]	ZINC000103229308	222325851	/nfs/dbraw/zinc/32/58/51/222325851.db2.gz	JJQZLGHDHPDOEO-JWFWCLOMSA-N	-1	0	363.457	3.899	1	0		FHAFRM
Cc1ncc(C(N)=S)nc1-c1ccc([C@H]2CC[C@H](CC(=O)[O-])CC2)cc1	ZINC000101581793	222277884	/nfs/dbraw/zinc/27/78/84/222277884.db2.gz	LSWLEONMEQFWJB-OKILXGFUSA-N	-1	0	369.490	3.835	1	0		FHAFRM
CC1(C)CC[C@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678241	222280960	/nfs/dbraw/zinc/28/09/60/222280960.db2.gz	PLVFCLKRSMXMLU-HNNXBMFYSA-N	-1	0	362.857	3.642	1	0		FHAFRM
COc1cccc(-c2nc(N3CCC(C(=O)[O-])CC3)cc3cccnc32)c1	ZINC000095555624	537069025	/nfs/dbraw/zinc/06/90/25/537069025.db2.gz	LBZYVKXXXHZJAJ-UHFFFAOYSA-N	-1	0	363.417	3.606	1	0		FHAFRM
Cc1ccc2c(C(=O)[O-])cc(-c3ccc(S(C)(=O)=O)cc3)nc2c1C	ZINC000045259530	581092464	/nfs/dbraw/zinc/09/24/64/581092464.db2.gz	XINSVPZIHDLZSQ-UHFFFAOYSA-N	-1	0	355.415	3.620	1	0		FHAFRM
CC(C)=CCc1cc(-c2coc3cc([O-])cc(O)c3c2=O)c(O)cc1O	ZINC000014762950	210182630	/nfs/dbraw/zinc/18/26/30/210182630.db2.gz	WHPDMWPIFCRONU-UHFFFAOYSA-N	-1	0	354.358	3.791	1	0	in-vitro	FHAFRM
COc1cc(O)c([C@H]2COc3cc(O)ccc3C2=O)cc1CC=C(C)C	ZINC000014819434	210181228	/nfs/dbraw/zinc/18/12/28/210181228.db2.gz	QRGFRUURCOOJEV-QGZVFWFLSA-N	-1	0	354.402	3.974	1	0		FHAFRM
CC12CCCc3cc(C(=O)Nc4ccc(C(=O)[O-])nc4)cc(c31)CCC2	ZINC000059027570	212014790	/nfs/dbraw/zinc/01/47/90/212014790.db2.gz	BKEMURKAOWLWQC-UHFFFAOYSA-N	-1	0	350.418	3.962	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cn2)c2c(F)cccc2c1=O	ZINC000045337472	211815825	/nfs/dbraw/zinc/81/58/25/211815825.db2.gz	RRNMJRUJIJBSGA-UHFFFAOYSA-N	-1	0	374.371	3.949	1	0		FHAFRM
CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccc(F)cc3)C2)c1)C(=O)[O-]	ZINC000040937590	211764520	/nfs/dbraw/zinc/76/45/20/211764520.db2.gz	SHEXHMGVCDIUNB-MOPGFXCFSA-N	-1	0	357.381	3.724	1	0		FHAFRM
O=C([O-])c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2=O)N(CC1CCC1)CC3	ZINC000013532297	211036858	/nfs/dbraw/zinc/03/68/58/211036858.db2.gz	DKIHSWCVZDLLIX-LQBOVUBWSA-N	-1	0	353.462	3.884	1	0		FHAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(N(C)C)cc2)c1C	ZINC000000833989	210276991	/nfs/dbraw/zinc/27/69/91/210276991.db2.gz	RWQZTLOPSMHBQW-UHFFFAOYSA-N	-1	0	371.462	3.825	1	0		FHAFRM
Cc1cccc2scc(Cn3c4ccccc4n(CCC(=O)[O-])c3=O)c21	ZINC000072178345	221449170	/nfs/dbraw/zinc/44/91/70/221449170.db2.gz	XAIBYEBSDCVCAA-UHFFFAOYSA-N	-1	0	366.442	3.849	1	0		FHAFRM
O=C([O-])CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1	ZINC000103276972	222330676	/nfs/dbraw/zinc/33/06/76/222330676.db2.gz	UEVIRFIONYRFDQ-UHFFFAOYSA-N	-1	0	363.204	3.653	1	0		FHAFRM
O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c2ccccc12	ZINC000000596212	210250770	/nfs/dbraw/zinc/25/07/70/210250770.db2.gz	IWLKYKZHECHQAM-UHFFFAOYSA-N	-1	0	363.186	3.613	1	0		FHAFRM
C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)[O-])cc2)S1)c1ccc(F)cc1	ZINC000040866918	211762667	/nfs/dbraw/zinc/76/26/67/211762667.db2.gz	BXUAKBHVBBSTCT-WLRWDXFRSA-N	-1	0	372.421	3.719	1	0		FHAFRM
C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(=O)[O-])cc2)S1)c1ccc(F)cc1	ZINC000040866916	211762836	/nfs/dbraw/zinc/76/28/36/211762836.db2.gz	BXUAKBHVBBSTCT-JEOXALJRSA-N	-1	0	372.421	3.719	1	0		FHAFRM
CCCc1ccc(Br)cc1S(=O)(=O)[N-]c1onc(C)c1C	ZINC000026470688	211448556	/nfs/dbraw/zinc/44/85/56/211448556.db2.gz	XWNXSAKNQIGGHJ-UHFFFAOYSA-N	-1	0	373.272	3.807	1	0		FHAFRM
O=C([O-])COc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1	ZINC000020340629	211274913	/nfs/dbraw/zinc/27/49/13/211274913.db2.gz	AQQSPLITZACIIG-UHFFFAOYSA-N	-1	0	354.387	3.526	1	0		FHAFRM
O=C([O-])[C@H]1CC=C[C@H]2CCN(Cc3ccc(Cl)c(Cl)c3)C(=O)[C@H]21	ZINC000013813362	211061758	/nfs/dbraw/zinc/06/17/58/211061758.db2.gz	UDRJPNGODPUWIV-SLEUVZQESA-N	-1	0	354.233	3.619	3	0		FHAFRM
CSc1n[n-]c2nc3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3	ZINC000013638961	211044343	/nfs/dbraw/zinc/04/43/43/211044343.db2.gz	JILFEYGCJNJTAA-UHFFFAOYSA-N	-1	0	352.463	3.977	1	0		FHAFRM
COc1cc2[nH]c(-c3cccc(C(=O)[O-])c3)cc(=O)c2cc1-c1cnco1	ZINC000013487586	211035539	/nfs/dbraw/zinc/03/55/39/211035539.db2.gz	HHMPGPACLTXUHI-UHFFFAOYSA-N	-1	0	362.341	3.557	1	0		FHAFRM
CC(C)Oc1ccc2c(c1)C=C(C(=O)[O-])[C@H](c1ccc3c(c1)OCO3)O2	ZINC000013473429	211035112	/nfs/dbraw/zinc/03/51/12/211035112.db2.gz	GRIGMBRNAIDEAD-IBGZPJMESA-N	-1	0	354.358	3.804	1	0		FHAFRM
Cc1ccc(S(=O)(=O)N[C@H]2CCC=C2C/C=C\CCCC(=O)[O-])cc1	ZINC000003806569	210493513	/nfs/dbraw/zinc/49/35/13/210493513.db2.gz	HUHXCCOOBLMBJA-VEXQSBSHSA-N	-1	0	363.479	3.563	1	0		FHAFRM
Cc1[n-]n(C)c(=O)c1C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl	ZINC000100548662	222246746	/nfs/dbraw/zinc/24/67/46/222246746.db2.gz	PVVNSIOEIBQRRU-UHFFFAOYSA-N	-1	0	366.204	3.523	3	0		FHAFRM
CCC[C@H](OC(=O)COc1ccc(Cl)cc1Cl)[P@@](=O)([O-])OC	ZINC000103182533	222323394	/nfs/dbraw/zinc/32/33/94/222323394.db2.gz	STOVNIHJRPLRDZ-CYBMUJFWSA-N	-1	0	371.153	3.873	1	0		FHAFRM
COc1ccc(Cl)cc1NC(=O)CCc1ccc(CCC(=O)[O-])cc1	ZINC000103299058	222333163	/nfs/dbraw/zinc/33/31/63/222333163.db2.gz	YZKHIVQBWOVJLG-UHFFFAOYSA-N	-1	0	361.825	3.937	1	0		FHAFRM
CC[C@H]1CC[C@@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678239	222281189	/nfs/dbraw/zinc/28/11/89/222281189.db2.gz	ASUPALFNMIVBLS-XJKSGUPXSA-N	-1	0	362.857	3.642	1	0		FHAFRM
CC(C)C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)[O-]	ZINC000101773886	222284148	/nfs/dbraw/zinc/28/41/48/222284148.db2.gz	AXQMVFCSBAIKQK-INIZCTEOSA-N	-1	0	358.438	3.868	1	0		FHAFRM
CCCCCC(=O)CC[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-]	ZINC000004543890	571687246	/nfs/dbraw/zinc/68/72/46/571687246.db2.gz	CUJMXIQZWPZMNQ-PRDMLAEISA-N	-1	0	352.471	3.683	1	0	endogenous,in-man	FHAFRM
CCCc1ccccc1OCCCOc1cccc([C@@H]2OC(=O)[N-]C2=O)c1	ZINC000027179849	581095070	/nfs/dbraw/zinc/09/50/70/581095070.db2.gz	PSRCPDFTPXSARE-IBGZPJMESA-N	-1	0	369.417	3.795	1	0		FHAFRM
O=C([O-])[C@H]1C[C@H](NC(=O)c2ccccc2)c2c(Cl)cc(Cl)cc2N1	ZINC000000576674	210249546	/nfs/dbraw/zinc/24/95/46/210249546.db2.gz	SIFKDUJBOXTKPK-UONOGXRCSA-N	-1	0	365.216	3.733	1	0		FHAFRM
CCCCC[C@H](O)/C=C/C=C(/CCCCCCCC(=O)[O-])C[C@H](O)CO	ZINC000085490969	291076105	/nfs/dbraw/zinc/07/61/05/291076105.db2.gz	VEDXQLNICSIAQV-JTTQUOFESA-N	-1	0	370.530	3.969	1	0	biogenic,in-vitro	FHAFRM
COc1ccc([C@@H]2NC(=S)N=C(c3ccccc3)C2CC(=O)[O-])cc1	ZINC000029466798	211512007	/nfs/dbraw/zinc/51/20/07/211512007.db2.gz	LUCAVZIDMZCQMG-SFHVURJKSA-N	-1	0	354.431	3.511	1	0		FHAFRM
C[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c21	ZINC000013978763	211065139	/nfs/dbraw/zinc/06/51/39/211065139.db2.gz	KZALYMKORCVHMR-NSHDSACASA-N	-1	0	363.410	3.765	1	0		FHAFRM
CC1(C)C(=O)[N-]C(=O)c2c3nc(Nc4ccccc4Cl)[nH]c3ccc21	ZINC000013475180	211036200	/nfs/dbraw/zinc/03/62/00/211036200.db2.gz	NSMGHIXXPBZKPX-UHFFFAOYSA-N	-1	0	354.797	3.508	1	0		FHAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)Nc1nc2ccccc2s1	ZINC000002461778	210399979	/nfs/dbraw/zinc/39/99/79/210399979.db2.gz	JOQOOEDHCZWLGJ-UHFFFAOYSA-N	-1	0	351.387	3.657	1	0		FHAFRM
O=C(c1ccccc1)c1c(=O)c(=O)[n-]n(-c2ccccc2)c1-c1ccccc1	ZINC000001663173	210365545	/nfs/dbraw/zinc/36/55/45/210365545.db2.gz	ZEZNXEJCMWBVFC-UHFFFAOYSA-N	-1	0	368.392	3.836	1	0		FHAFRM
O=C([O-])c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4c3)c2o1	ZINC000096271883	222107813	/nfs/dbraw/zinc/10/78/13/222107813.db2.gz	DQPJQHLZZHUOLW-UHFFFAOYSA-N	-1	0	359.337	3.897	1	0		FHAFRM
COc1ccc(C(=O)[O-])cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1	ZINC000096284812	222111436	/nfs/dbraw/zinc/11/14/36/222111436.db2.gz	IPPCFMZAQYUQPP-GFCCVEGCSA-N	-1	0	364.405	3.606	1	0		FHAFRM
CSc1ccc2c(c1)c([O-])c(C(=O)n1ccc3ccccc31)c(=O)n2C	ZINC000100989796	222259639	/nfs/dbraw/zinc/25/96/39/222259639.db2.gz	BKOXZJICXXTGHT-UHFFFAOYSA-N	-1	0	364.426	3.609	1	0		FHAFRM
COc1cccc(/C=C2\SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000103221226	222327038	/nfs/dbraw/zinc/32/70/38/222327038.db2.gz	CRCDCTVWZIOLDO-YBEGLDIGSA-N	-1	0	369.398	3.630	1	0		FHAFRM
CC[C@H]1CC[C@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678232	222280747	/nfs/dbraw/zinc/28/07/47/222280747.db2.gz	ASUPALFNMIVBLS-BBRMVZONSA-N	-1	0	362.857	3.642	1	0		FHAFRM
CC1(C)CCC[C@@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678258	222280902	/nfs/dbraw/zinc/28/09/02/222280902.db2.gz	MTWKHJUQYFVCHB-HNNXBMFYSA-N	-1	0	362.857	3.642	1	0		FHAFRM
Cc1cc(C)c(OC[C@H](O)C[C@@H](O)CC(=O)[O-])c(C2CCCCCC2)c1	ZINC000027523808	581092829	/nfs/dbraw/zinc/09/28/29/581092829.db2.gz	AMEFGKQQBOIUOK-QZTJIDSGSA-N	-1	0	364.482	3.707	1	0		FHAFRM
Cc1cc(N(C)C(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(C)C)c1	ZINC000013602410	220078125	/nfs/dbraw/zinc/07/81/25/220078125.db2.gz	YOOQKVDPTADYCJ-UHFFFAOYSA-N	-1	0	357.406	3.972	1	0		FHAFRM
Cc1noc([N-]S(=O)(=O)c2cccc3c2cccc3N2CCCC2)c1C	ZINC000013741048	220092269	/nfs/dbraw/zinc/09/22/69/220092269.db2.gz	RNGKFYCDICNCCX-UHFFFAOYSA-N	-1	0	371.462	3.846	1	0		FHAFRM
COc1ccc2c(ccc(C)c2C(=S)N(C)CC(=O)[O-])c1C(F)(F)F	ZINC000013823540	220097341	/nfs/dbraw/zinc/09/73/41/220097341.db2.gz	RVRVVRHBRYUCMH-UHFFFAOYSA-N	-1	0	371.380	3.868	1	0		FHAFRM
[NH3+][C@H](CC1CCCCC1)[P@](=O)([O-])C/C(=C\c1ccc(F)cc1)C(=O)[O-]	ZINC000027102758	220528372	/nfs/dbraw/zinc/52/83/72/220528372.db2.gz	OKNDVBGKGLECQV-OBHPCNEJSA-N	-1	0	369.373	3.819	1	0		FHAFRM
CCCCC/C=C\C[C@@H]1O[C@H]([C@H](O)C/C=C\CCCC(=O)[O-])C[C@H]1O	ZINC000028895886	220587980	/nfs/dbraw/zinc/58/79/80/220587980.db2.gz	AWZVRICAMPEGBC-UXDBDEHMSA-N	-1	0	354.487	3.594	1	0		FHAFRM
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C(=O)[O-])CS2)cc1	ZINC000066260109	221243833	/nfs/dbraw/zinc/24/38/33/221243833.db2.gz	QQGIACMPSDVFRS-HKUYNNGSSA-N	-1	0	365.458	3.636	1	0		FHAFRM
COc1ccccc1/C=C/Cn1cc(C(=O)[O-])c(=O)c2cccc(F)c21	ZINC000071340749	221343768	/nfs/dbraw/zinc/34/37/68/221343768.db2.gz	LDKJRCWKGLJOSP-FNORWQNLSA-N	-1	0	353.349	3.561	1	0		FHAFRM
O=C([O-])CC1CCN(c2nc(-c3ccccc3)nc3c2CSC3)CC1	ZINC000096923874	132226578	/nfs/dbraw/zinc/22/65/78/132226578.db2.gz	RDWNRUZHWZGFHX-UHFFFAOYSA-N	-1	0	355.463	3.582	1	0		FHAFRM
O=C([O-])CSc1nnc(-c2ccc(F)cc2)n1-c1cccc(Cl)c1	ZINC000096273177	222107384	/nfs/dbraw/zinc/10/73/84/222107384.db2.gz	PKLSHNGWRKTJMF-UHFFFAOYSA-N	-1	0	363.801	3.904	1	0		FHAFRM
O=C([O-])C[C@@H](O)C[C@@H](O)/C=C/c1[nH]c2ccccc2c1-c1ccc(F)cc1	ZINC000095617673	571796109	/nfs/dbraw/zinc/79/61/09/571796109.db2.gz	POFAWBXODXSMNI-IGXNXKSNSA-N	-1	0	369.392	3.574	1	0	endogenous,world	FHAFRM
C[C@@H]1C[C@@](O)(CC(=O)[O-])c2cc(Cl)c(OCc3ccccc3)cc2O1	ZINC000013456229	220068047	/nfs/dbraw/zinc/06/80/47/220068047.db2.gz	MZAPNXXFUXSRII-CWTRNNRKSA-N	-1	0	362.809	3.752	1	0		FHAFRM
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[O-])Nc2cc(Cl)cc(Cl)c21	ZINC000013455228	220068180	/nfs/dbraw/zinc/06/81/80/220068180.db2.gz	QSPHJSYDRTUERE-WDEREUQCSA-N	-1	0	361.225	3.828	1	0		FHAFRM
O=C([O-])[C@H]1C[C@H](NC(=O)C2CCCCC2)c2c(Cl)cc(Cl)cc2N1	ZINC000013455253	220068640	/nfs/dbraw/zinc/06/86/40/220068640.db2.gz	AHLDJXGDYFXSIX-UONOGXRCSA-N	-1	0	371.264	4.000	1	0		FHAFRM
CC1(C)C(=O)[N-]C(=O)c2c3nc(Nc4ccc(Cl)cc4)[nH]c3ccc21	ZINC000013475182	220069569	/nfs/dbraw/zinc/06/95/69/220069569.db2.gz	HEXWBQZHTKQNAU-UHFFFAOYSA-N	-1	0	354.797	3.508	1	0		FHAFRM
COc1cc2[nH]c(-c3ccc(C(=O)[O-])cc3)cc(=O)c2cc1-c1cnco1	ZINC000013487592	220069578	/nfs/dbraw/zinc/06/95/78/220069578.db2.gz	REFCCVKTWAIDKV-UHFFFAOYSA-N	-1	0	362.341	3.557	1	0		FHAFRM
O=C([O-])c1ccc(NC(=O)NC(=O)c2ccccc2Cl)c(Cl)c1	ZINC000013673927	220083359	/nfs/dbraw/zinc/08/33/59/220083359.db2.gz	AWDOJDISIPZTPA-UHFFFAOYSA-N	-1	0	353.161	3.654	1	0		FHAFRM
CC(C)(Oc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1)C(=O)[O-]	ZINC000026399751	220511091	/nfs/dbraw/zinc/51/10/91/220511091.db2.gz	BHPUABPRUDWQJV-UHFFFAOYSA-N	-1	0	363.797	3.600	1	0		FHAFRM
O=C([O-])CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1	ZINC000029225013	220598287	/nfs/dbraw/zinc/59/82/87/220598287.db2.gz	FLSBEAAIMAWTJI-UHFFFAOYSA-N	-1	0	350.374	3.617	1	0		FHAFRM
O=C([O-])[C@H]1C[C@](O)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)O1	ZINC000040977142	220927048	/nfs/dbraw/zinc/92/70/48/220927048.db2.gz	RSUQEXZTWDADTB-INMHGKMJSA-N	-1	0	353.201	3.796	1	0		FHAFRM
COc1ccc(/C=C2\CO[C@H](c3cc(OC)cc(OC)c3)[C@@H]2C(=O)[O-])cc1	ZINC000049070772	221019007	/nfs/dbraw/zinc/01/90/07/221019007.db2.gz	SUVKPLCUUSSDHW-SOBIMBLKSA-N	-1	0	370.401	3.568	1	0		FHAFRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2	ZINC000059185400	221125208	/nfs/dbraw/zinc/12/52/08/221125208.db2.gz	HBWWHZAXRQMJLN-UHFFFAOYSA-N	-1	0	373.364	3.857	1	0		FHAFRM
CNc1cc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c(C)c1N1CCC(C)CC1	ZINC000101495864	132234126	/nfs/dbraw/zinc/23/41/26/132234126.db2.gz	CPXAEAMESOWUSN-UHFFFAOYSA-N	-1	0	369.465	3.621	1	0		FHAFRM
O=C(Nc1ccnc(NC(=O)C2CC2)c1)c1c(Cl)cc([O-])cc1Cl	ZINC000096928682	222141754	/nfs/dbraw/zinc/14/17/54/222141754.db2.gz	YINNTXCHGCQOSC-UHFFFAOYSA-N	-1	0	366.204	3.695	1	0		FHAFRM
NC(=O)N1C(=O)C(=C([O-])c2ccc(Cl)s2)c2cc(Cl)ccc21	ZINC000103298196	222333207	/nfs/dbraw/zinc/33/32/07/222333207.db2.gz	IHUZPJQKFXFTOM-QXMHVHEDSA-N	-1	0	355.202	3.907	1	0		FHAFRM
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O	ZINC000261499511	571863626	/nfs/dbraw/zinc/86/36/26/571863626.db2.gz	ZMITXKRGXGRMKS-FKLUBVLPSA-N	-1	0	370.511	3.786	1	0	endogenous,in-man	FHAFRM
COc1ccc(-c2snnc2-c2cc(Cl)c([O-])cc2O)cc1OC	ZINC000040848155	581097442	/nfs/dbraw/zinc/09/74/42/581097442.db2.gz	UTWGFIMJBOZKAO-UHFFFAOYSA-N	-1	0	364.810	3.954	1	0	in-vitro	FHAFRM
[NH3+][C@H](C[C@H](Cc1ccc(-c2ccc3ccccc3c2)cc1)C(=O)[O-])C(=O)[O-]	ZINC000013491591	220069249	/nfs/dbraw/zinc/06/92/49/220069249.db2.gz	KVKWJAURUHLJDJ-VQTJNVASSA-N	-1	0	363.413	3.552	1	0		FHAFRM
O=C([O-])C(=O)c1ccc2oc(C34CC5CC(CC(C5)C3)C4)cc(=O)c2c1	ZINC000013581692	220076370	/nfs/dbraw/zinc/07/63/70/220076370.db2.gz	PRIGHHNDCZSRTA-UHFFFAOYSA-N	-1	0	352.386	3.528	1	0		FHAFRM
O=c1[n-]c(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)ccc1O	ZINC000013587047	220077106	/nfs/dbraw/zinc/07/71/06/220077106.db2.gz	PHWHYZMFGGOJEU-UHFFFAOYSA-N	-1	0	355.703	3.605	1	0		FHAFRM
CCO[C@@H]1OC(C(=O)[O-])=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO	ZINC000013634774	220080900	/nfs/dbraw/zinc/08/09/00/220080900.db2.gz	OJHZGGMQRDQLCI-CKEIUWERSA-N	-1	0	374.355	3.539	3	0		FHAFRM
CCCC(=O)Oc1c(OC)cc(=O)c2c([O-])c(O)c(-c3ccccc3)oc1-2	ZINC000014757311	220131895	/nfs/dbraw/zinc/13/18/95/220131895.db2.gz	HVJUOMVSARTYMR-UHFFFAOYSA-N	-1	0	370.357	3.585	1	0		FHAFRM
O=C([O-])CC1C(c2ccc(Cl)cc2)=NC(=S)N[C@H]1c1cccnc1	ZINC000029467384	220605767	/nfs/dbraw/zinc/60/57/67/220605767.db2.gz	KSHHFARRHZDEDM-INIZCTEOSA-N	-1	0	359.838	3.551	1	0		FHAFRM
O=C([O-])CCC1C(c2ccc(Cl)cc2)=NC(=S)N[C@@H]1c1ccco1	ZINC000058591423	221121382	/nfs/dbraw/zinc/12/13/82/221121382.db2.gz	GTQIPUVMKRSPEE-INIZCTEOSA-N	-1	0	362.838	3.728	1	0		FHAFRM
COc1ccc(/C=C/Cn2cc(C(=O)[O-])c(=O)c3cccc(F)c32)cc1	ZINC000071340457	221343659	/nfs/dbraw/zinc/34/36/59/221343659.db2.gz	WBMSYXAOBYXAOC-ONEGZZNKSA-N	-1	0	353.349	3.561	1	0		FHAFRM
O=C([O-])c1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1	ZINC000072108485	221405624	/nfs/dbraw/zinc/40/56/24/221405624.db2.gz	RIIFUEBZKPXUJL-UHFFFAOYSA-N	-1	0	371.392	3.971	1	0		FHAFRM
O=C([O-])Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1	ZINC000095585039	221964623	/nfs/dbraw/zinc/96/46/23/221964623.db2.gz	XXBXRJDBCMCGGD-UHFFFAOYSA-N	-1	0	370.401	3.953	1	0		FHAFRM
CC(C)n1cc(-c2cccn3nc(Nc4ccc(C(=O)[O-])cc4)nc23)cn1	ZINC000096282526	222110699	/nfs/dbraw/zinc/11/06/99/222110699.db2.gz	AYPDRLYCPNYUMB-UHFFFAOYSA-N	-1	0	362.393	3.616	1	0		FHAFRM
O=C(NCc1ccc(-c2ccccc2)cc1)c1csc2[nH]cnc(=O)c12	ZINC000096933961	222142782	/nfs/dbraw/zinc/14/27/82/222142782.db2.gz	YQGVWSWPZBEVIW-UHFFFAOYSA-N	-1	0	361.426	3.582	1	0		FHAFRM
Cc1cc2cc(NC(=O)C(=O)[O-])ccc2n1Cc1ccc(O)c(C(C)C)c1	ZINC000103239823	222328247	/nfs/dbraw/zinc/32/82/47/222328247.db2.gz	STBCNYZBINGINI-UHFFFAOYSA-N	-1	0	366.417	3.850	1	0		FHAFRM
COc1ccc(-c2nn(-c3nc(C(=O)[O-])cs3)c3ccccc23)cc1	ZINC000103254818	222329380	/nfs/dbraw/zinc/32/93/80/222329380.db2.gz	JSVXJPUKWRIIPM-UHFFFAOYSA-N	-1	0	351.387	3.856	1	0		FHAFRM
NC(=O)N1C(=O)C(=C([O-])c2ccc(F)s2)c2cc(F)c(Cl)cc21	ZINC000103298198	222333702	/nfs/dbraw/zinc/33/37/02/222333702.db2.gz	IMWALGCXZJCDTE-QXMHVHEDSA-N	-1	0	356.737	3.531	1	0		FHAFRM
O=c1c([O-])c(Nc2cc(Cl)c(Oc3ccc(O)cc3)c(Cl)c2)c1=O	ZINC000101624931	222279524	/nfs/dbraw/zinc/27/95/24/222279524.db2.gz	QKNBIFZGIXRUTN-UHFFFAOYSA-N	-1	0	366.156	3.537	1	0		FHAFRM
Cn1[n-]c2c(c1=O)[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2	ZINC000102854145	222310578	/nfs/dbraw/zinc/31/05/78/222310578.db2.gz	AIXDLJSJCJOIBM-XLIONFOSSA-N	-1	0	352.409	3.928	1	0		FHAFRM
CCN1C=C(C(=O)[O-])[C@@H](c2ccccc2Cl)C(C(=O)OC(C)C)=C1C	ZINC000013553479	220073441	/nfs/dbraw/zinc/07/34/41/220073441.db2.gz	BWWRVVQUGBYQAL-QGZVFWFLSA-N	-1	0	363.841	3.953	1	0		FHAFRM
CC(C)c1cccc(C(C)C)c1OC(=O)[N-]S(=O)(=O)N1CCCCC1	ZINC000013747576	220092160	/nfs/dbraw/zinc/09/21/60/220092160.db2.gz	LUVMUNJCJKSOLJ-UHFFFAOYSA-N	-1	0	368.499	3.753	1	0		FHAFRM
O=C([O-])CCCCCCC1=CCC[C@@H]1NS(=O)(=O)c1ccc(F)cc1	ZINC000028232021	220566731	/nfs/dbraw/zinc/56/67/31/220566731.db2.gz	QCZGLZVHOOEQAG-KRWDZBQOSA-N	-1	0	369.458	3.618	1	0		FHAFRM
O=S(=O)([N-]c1ccncc1Nc1cccc(Cl)c1)C(F)(F)F	ZINC000049554550	221025915	/nfs/dbraw/zinc/02/59/15/221025915.db2.gz	YFYONHYUUJDOCL-UHFFFAOYSA-N	-1	0	351.737	3.740	1	0		FHAFRM
COCC[C@@]1(CC(=O)[O-])OCCc2c1[nH]c1c2c(Cl)ccc1Cl	ZINC000049067026	221017913	/nfs/dbraw/zinc/01/79/13/221017913.db2.gz	BXSCSPIJBGRDND-INIZCTEOSA-N	-1	0	358.221	3.754	1	0		FHAFRM
O=C([O-])c1ccc2c(c1)nc(CCc1ccccn1)n2Cc1ccccc1	ZINC000053297568	221045254	/nfs/dbraw/zinc/04/52/54/221045254.db2.gz	UHLYVYWPEZLFJL-UHFFFAOYSA-N	-1	0	357.413	3.963	1	0		FHAFRM
O=C(c1cnn(-c2ccc(F)c(F)c2)c1)c1cc(F)cc(Cl)c1[O-]	ZINC000058592263	221121599	/nfs/dbraw/zinc/12/15/99/221121599.db2.gz	MOKKJUUTNVHFCA-UHFFFAOYSA-N	-1	0	352.699	3.880	1	0		FHAFRM
COc1ccc([C@](C)(O)c2nc(-c3cccc(C(=O)[O-])c3)cs2)cc1	ZINC000061927568	221136935	/nfs/dbraw/zinc/13/69/35/221136935.db2.gz	FVPRCIHVEOARSP-IBGZPJMESA-N	-1	0	355.415	3.773	3	0		FHAFRM
CC(C)=CCOc1ccc(/C=C/C(=O)[O-])cc1I	ZINC000066258735	221243956	/nfs/dbraw/zinc/24/39/56/221243956.db2.gz	CRBUSCOKRNFOOC-GQCTYLIASA-N	-1	0	358.175	3.734	1	0		FHAFRM
O=C([O-])c1ccc(-c2ccc3ncnc(NCc4nccs4)c3c2)o1	ZINC000066129454	221242987	/nfs/dbraw/zinc/24/29/87/221242987.db2.gz	XIURHKCVGCFGJQ-UHFFFAOYSA-N	-1	0	352.375	3.657	1	0		FHAFRM
O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CCCCC3)c(F)cc2c1=O	ZINC000026952482	136153337	/nfs/dbraw/zinc/15/33/37/136153337.db2.gz	MVXLDPRRAAVKTB-UHFFFAOYSA-N	-1	0	364.804	3.817	1	0		FHAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCC[C@H]1O	ZINC000103205808	222325409	/nfs/dbraw/zinc/32/54/09/222325409.db2.gz	JSGSCRWSGFLCOR-CHWSQXEVSA-N	-1	0	371.808	3.794	1	0		FHAFRM
O=C(Nc1cccc(P(=O)([O-])[O-])c1)c1ccc(Oc2ccccc2)cc1	ZINC000103300756	222333654	/nfs/dbraw/zinc/33/36/54/222333654.db2.gz	IRFIVJXEEITVLV-UHFFFAOYSA-N	-1	0	369.313	3.534	1	0		FHAFRM
CC[C@@H]1CC[C@@H](n2c([O-])cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1	ZINC000101678237	222280928	/nfs/dbraw/zinc/28/09/28/222280928.db2.gz	ASUPALFNMIVBLS-CZUORRHYSA-N	-1	0	362.857	3.642	1	0		FHAFRM
CC1(C)C=Cc2c(O)c([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)ccc2O1	ZINC000014690579	291075596	/nfs/dbraw/zinc/07/55/96/291075596.db2.gz	NQLFKRRSBSAFQZ-INIZCTEOSA-N	-1	0	354.358	3.694	1	0	biogenic,in-vitro	FHAFRM
COc1c([O-])c2c(=O)cc3c(c-2oc1-c1ccc(O)cc1)C(C)(C)[C@H](C)O3	ZINC000014825101	291076947	/nfs/dbraw/zinc/07/69/47/291076947.db2.gz	QJGHPSMBMKFFEE-JTQLQIEISA-N	-1	0	368.385	3.938	1	0	biogenic,in-vitro	FHAFRM
COc1ccc(-c2cc(C(=O)[O-])c3c(cc(OC)c(OC)c3OC)n2)cc1	ZINC000012941640	220045702	/nfs/dbraw/zinc/04/57/02/220045702.db2.gz	ZMMXAFGVIRSKCV-UHFFFAOYSA-N	-1	0	369.373	3.634	1	0		FHAFRM
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CCC3)c(OC)c2)c1	ZINC000013534118	220072670	/nfs/dbraw/zinc/07/26/70/220072670.db2.gz	OOHRWJVEUNNVTP-UHFFFAOYSA-N	-1	0	367.401	3.874	1	0		FHAFRM
O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1	ZINC000013731534	220091095	/nfs/dbraw/zinc/09/10/95/220091095.db2.gz	NKSPYRPIQFVDAL-OAQYLSRUSA-N	-1	0	371.436	3.857	1	0		FHAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(-c3cc(C)nc(C)c3)c(F)c21	ZINC000013832970	220096716	/nfs/dbraw/zinc/09/67/16/220096716.db2.gz	ZQZJGSJCJYPTBV-UHFFFAOYSA-N	-1	0	358.344	3.677	1	0		FHAFRM
O=S(=O)([N-]c1cc(Br)cc2cccnc21)c1ccccc1	ZINC000013815834	220097082	/nfs/dbraw/zinc/09/70/82/220097082.db2.gz	ZCJWXLQRWSYNNA-UHFFFAOYSA-N	-1	0	363.236	3.798	1	0		FHAFRM
CC(C)(C)c1ccc(CN(CCCCCCC(=O)[O-])S(C)(=O)=O)cc1	ZINC000034893978	220766934	/nfs/dbraw/zinc/76/69/34/220766934.db2.gz	BWVXTDRTJMUKCK-UHFFFAOYSA-N	-1	0	369.527	3.781	1	0		FHAFRM
COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)[O-])cc4)nc23)cc1	ZINC000096282535	222111415	/nfs/dbraw/zinc/11/14/15/222111415.db2.gz	YZUKESPJWCKIQZ-UHFFFAOYSA-N	-1	0	360.373	3.847	1	0		FHAFRM
CC(C)N(C(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O)c1ccccc1	ZINC000100814724	222254082	/nfs/dbraw/zinc/25/40/82/222254082.db2.gz	SXQWGNOYOMOACS-UHFFFAOYSA-N	-1	0	370.836	3.953	1	0		FHAFRM
O=S(=O)([N-]c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCC[C@@H]1O	ZINC000103205806	222325449	/nfs/dbraw/zinc/32/54/49/222325449.db2.gz	JSGSCRWSGFLCOR-STQMWFEESA-N	-1	0	371.808	3.794	1	0		FHAFRM
COc1c([C@H](C)CO)cc(O)c2c1CC[C@H]1C(C)=C(C(=O)[O-])CC[C@]21C	ZINC000070455306	291076926	/nfs/dbraw/zinc/07/69/26/291076926.db2.gz	OLBWQSWJMYMYAR-DBLBYYFGSA-N	-1	0	360.450	3.512	1	0	biogenic,in-vitro	FHAFRM
COc1cc(Nc2nc(-c3ccccc3)nc(=O)[n-]2)ccc1-c1cnco1	ZINC000013445173	220067163	/nfs/dbraw/zinc/06/71/63/220067163.db2.gz	ONIBIQVERJQDKF-UHFFFAOYSA-N	-1	0	361.361	3.651	1	0		FHAFRM
C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000013582101	220076248	/nfs/dbraw/zinc/07/62/48/220076248.db2.gz	WQUYUZJNAIWNRJ-JWWUQCTPSA-N	-1	0	364.526	3.698	1	0		FHAFRM
CCN(C(=O)N(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000013682604	220084472	/nfs/dbraw/zinc/08/44/72/220084472.db2.gz	LHANPBUTLZHWKW-UHFFFAOYSA-N	-1	0	358.282	3.507	1	0		FHAFRM
CC1(C)CCC(C)(C)c2nc(C(=O)Nc3ccc(C(=O)[O-])cc3)cnc21	ZINC000013804907	220096169	/nfs/dbraw/zinc/09/61/69/220096169.db2.gz	LOQCWYZQTILXOB-UHFFFAOYSA-N	-1	0	353.422	3.776	1	0		FHAFRM
O=S(=O)([O-])c1cc(O)c2ccc(NC(=S)Nc3ccccc3)cc2c1	ZINC000035274487	220774051	/nfs/dbraw/zinc/77/40/51/220774051.db2.gz	SFBQWHCHMUZBSJ-UHFFFAOYSA-N	-1	0	374.443	3.601	1	0		FHAFRM
O=S(=O)([N-]c1ccncc1Nc1ccccc1Cl)C(F)(F)F	ZINC000049372264	221021701	/nfs/dbraw/zinc/02/17/01/221021701.db2.gz	ZLOZBOGSCGGPFN-UHFFFAOYSA-N	-1	0	351.737	3.740	1	0		FHAFRM
COc1ccc([C@@](C)(O)c2nc(-c3cccc(C(=O)[O-])c3)cs2)cc1	ZINC000061927567	221136485	/nfs/dbraw/zinc/13/64/85/221136485.db2.gz	FVPRCIHVEOARSP-LJQANCHMSA-N	-1	0	355.415	3.773	3	0		FHAFRM
C[C@H](N[C@H](C(=O)[O-])C(F)(F)C(=O)c1ccc(Cl)cc1)c1ccccc1	ZINC000084615708	221725095	/nfs/dbraw/zinc/72/50/95/221725095.db2.gz	XKNRRUKTLCKGED-XHDPSFHLSA-N	-1	0	367.779	3.962	1	0		FHAFRM
CC(C)C[C@H](NC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12)C(=O)[O-]	ZINC000103229305	222326149	/nfs/dbraw/zinc/32/61/49/222326149.db2.gz	JJQZLGHDHPDOEO-YZDRJCRTSA-N	-1	0	363.457	3.899	1	0		FHAFRM
C[C@H]1CCCC[C@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678213	222281175	/nfs/dbraw/zinc/28/11/75/222281175.db2.gz	JGNHOVKHRJQKTI-XJKSGUPXSA-N	-1	0	362.857	3.642	1	0		FHAFRM
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@H]1CCC2=O	ZINC000085589886	574416710	/nfs/dbraw/zinc/41/67/10/574416710.db2.gz	ZMITXKRGXGRMKS-YCJSCZQZSA-N	-1	0	370.511	3.786	1	0	endogenous,in-man	FHAFRM
COc1cc(C(=O)c2c([O-])cc(O)c(CC=C(C)C)c2OC)ccc1O	ZINC000014648140	291077225	/nfs/dbraw/zinc/07/72/25/291077225.db2.gz	BWUVWDLEXDMTNX-UHFFFAOYSA-N	-1	0	358.390	3.560	1	0	biogenic,in-vitro	FHAFRM
COc1c2ccoc2c(OCc2ccc(C(=O)[O-])cc2)c(O)c1C(C)=O	ZINC000013682383	220084220	/nfs/dbraw/zinc/08/42/20/220084220.db2.gz	GLLMKLUQYCJFDE-UHFFFAOYSA-N	-1	0	356.330	3.627	1	0		FHAFRM
O=C([O-])Cn1c2ccc(Cl)cc2c2c1CCN(C(=O)c1ccccc1)C2	ZINC000038224654	220849776	/nfs/dbraw/zinc/84/97/76/220849776.db2.gz	GMSNGAAHZCRDTP-UHFFFAOYSA-N	-1	0	368.820	3.578	1	0		FHAFRM
COc1ccc(/C=C2\CO[C@@H](c3cc(OC)cc(OC)c3)[C@H]2C(=O)[O-])cc1	ZINC000049070776	221019471	/nfs/dbraw/zinc/01/94/71/221019471.db2.gz	SUVKPLCUUSSDHW-ASWVGASOSA-N	-1	0	370.401	3.568	1	0		FHAFRM
CC12CCCc3cc(NC(=O)c4ccc(C(=O)[O-])cn4)cc(c31)CCC2	ZINC000059027710	221123759	/nfs/dbraw/zinc/12/37/59/221123759.db2.gz	VTUMXQWPWVSZBF-UHFFFAOYSA-N	-1	0	350.418	3.962	1	0		FHAFRM
O=C(c1ccccc1)c1c([O-])nc(-c2ccccc2)n(-c2ccccc2)c1=O	ZINC000101706469	132234388	/nfs/dbraw/zinc/23/43/88/132234388.db2.gz	FMIYIDKQEWNYCF-FMQUCBEESA-N	-1	0	368.392	3.976	3	0		FHAFRM
O=S(=O)([N-]c1ccc(-c2nnco2)cc1)c1cc(Cl)cc(Cl)c1	ZINC000103290242	222331410	/nfs/dbraw/zinc/33/14/10/222331410.db2.gz	HWRMSAWZMPETAY-UHFFFAOYSA-N	-1	0	370.217	3.844	1	0		FHAFRM
Cc1c(Cc2ccc(=O)n(C(C)C)c2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000117014960	222511155	/nfs/dbraw/zinc/51/11/55/222511155.db2.gz	JTZZEYZGKLAZHB-UHFFFAOYSA-N	-1	0	356.397	3.507	1	0		FHAFRM
NC(=O)N1C(=O)C(=C([O-])c2cc(Cl)cs2)c2cc(F)c(Cl)cc21	ZINC000136222626	222544848	/nfs/dbraw/zinc/54/48/48/222544848.db2.gz	TVBUSVDXSSKDSK-NSHDSACASA-N	-1	0	373.192	3.586	1	0		FHAFRM
CCCC(=O)c1c2c(c([O-])c3c(CCC)cc(=O)oc13)C[C@@H](O)C(C)(C)O2	ZINC000014586087	571712931	/nfs/dbraw/zinc/71/29/31/571712931.db2.gz	JKOPHYFSGRCMOF-CQSZACIVSA-N	-1	0	374.433	3.508	1	0	endogenous,in-man	FHAFRM
NC(=O)c1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCCC3)c1	ZINC000003961887	581101586	/nfs/dbraw/zinc/10/15/86/581101586.db2.gz	GKBQRPKZHUFGOB-UHFFFAOYSA-N	-1	0	362.429	3.756	1	0	investigational	FHAFRM
O=C([O-])C[C@@H](Cc1ccc(F)c(F)c1)NC(=O)c1ccc2ccccc2c1	ZINC000049112479	221018745	/nfs/dbraw/zinc/01/87/45/221018745.db2.gz	ZVZAYUWJICUFIH-QGZVFWFLSA-N	-1	0	369.367	3.934	1	0		FHAFRM
O=C([O-])c1cn(Cc2ccc(-c3ccccc3)cc2)c2ncccc2c1=O	ZINC000049069650	221019135	/nfs/dbraw/zinc/01/91/35/221019135.db2.gz	ZLGFFOIACZAPJN-UHFFFAOYSA-N	-1	0	356.381	3.810	1	0		FHAFRM
O=C([O-])CCC1C(c2ccc(Cl)cc2)=NC(=S)N[C@@H]1c1ccccn1	ZINC000058506174	221120278	/nfs/dbraw/zinc/12/02/78/221120278.db2.gz	XDVMLPSBNKWNJK-KRWDZBQOSA-N	-1	0	373.865	3.530	1	0		FHAFRM
CC(=O)N[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)cs1)c1cccc(F)c1	ZINC000061908865	221137012	/nfs/dbraw/zinc/13/70/12/221137012.db2.gz	QKTXUNWHLRYDDM-QGZVFWFLSA-N	-1	0	370.405	3.873	3	0		FHAFRM
O=C([O-])C1CCN(c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1	ZINC000034066064	132934278	/nfs/dbraw/zinc/93/42/78/132934278.db2.gz	XCXUHQBEIHEAHQ-UHFFFAOYSA-N	-1	0	351.381	3.737	1	0		FHAFRM
CC1(C)CCC[C@H]1n1c([O-])cc(=O)n(CCc2cccc(Cl)c2)c1=O	ZINC000101678257	222280325	/nfs/dbraw/zinc/28/03/25/222280325.db2.gz	MTWKHJUQYFVCHB-OAHLLOKOSA-N	-1	0	362.857	3.642	1	0		FHAFRM
CC(C)(Cn1c(=O)cc([O-])n(C2CCCC2)c1=O)c1cccc(Cl)c1	ZINC000101678006	222280846	/nfs/dbraw/zinc/28/08/46/222280846.db2.gz	NCMWKCBRKVEZIW-UHFFFAOYSA-N	-1	0	362.857	3.741	1	0		FHAFRM