smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1c2ncc(CCOc3ccc(C(=O)[O-])cc3C)cc2C(=O)N(C)c2cccnc21	ZINC000003961889	562940173	/nfs/dbraw/zinc/94/01/73/562940173.db2.gz	CSOUXLJIXTUXNU-UHFFFAOYSA-N	-1	0	432.480	3.853	1	0		IHAFRM
COc1cc([C@H]2Oc3c(c([O-])cc4oc(-c5ccccc5)cc(=O)c43)O[C@@H]2CO)ccc1O	ZINC000005833619	562944945	/nfs/dbraw/zinc/94/49/45/562944945.db2.gz	ULRIJTFKMHYWQE-FYYLOGMGSA-N	-1	0	448.427	3.753	1	0		IHAFRM
Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)[O-])cc3)n(C)c2=O)cc1C	ZINC000012358352	562981640	/nfs/dbraw/zinc/98/16/40/562981640.db2.gz	WBSJUJMKLGJNOB-UHFFFAOYSA-N	-1	0	437.540	3.664	1	0		IHAFRM
O=C([O-])CN1CN(Cc2ccc(Br)cc2F)c2ccc(Cl)cc2C1=O	ZINC000013649874	562999003	/nfs/dbraw/zinc/99/90/03/562999003.db2.gz	HNBMSLBDOUEOEY-UHFFFAOYSA-N	-1	0	427.657	3.746	1	0		IHAFRM
CC(C)c1ccc(N2CCN(CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)CC2)cc1	ZINC000013523132	562991463	/nfs/dbraw/zinc/99/14/63/562991463.db2.gz	FXCQFMQQYXADPE-UHFFFAOYSA-N	-1	0	431.540	3.529	1	0		IHAFRM
O=C([O-])Cn1c2sc3c(c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1=O)CCCC3	ZINC000013649907	562999005	/nfs/dbraw/zinc/99/90/05/562999005.db2.gz	GHSOVBXFKZUPCA-UHFFFAOYSA-N	-1	0	439.320	3.543	1	0		IHAFRM
CCN1c2ncc(CCc3ccnc(C(=O)[O-])c3)cc2C(=O)N(C)c2ccc(Cl)nc21	ZINC000013780561	563006471	/nfs/dbraw/zinc/00/64/71/563006471.db2.gz	CBXJOSHGKNHPAD-UHFFFAOYSA-N	-1	0	437.887	3.756	1	0		IHAFRM
C[C@](CCCCn1cnc2c1NC=NC[C@H]2O)(Cc1cccc(Br)c1)C(=O)[O-]	ZINC000013807372	563008587	/nfs/dbraw/zinc/00/85/87/563008587.db2.gz	WJETXDWIILBXCI-UZLBHIALSA-N	-1	0	449.349	3.637	1	0		IHAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](Cc1ccccc1[S-])CC(C)C	ZINC000013888804	563013771	/nfs/dbraw/zinc/01/37/71/563013771.db2.gz	DKYCKWKKKJFMCV-CTNGQTDRSA-N	-1	0	428.598	3.662	1	0		IHAFRM
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4)c3O)nc2c1	ZINC000014956750	563015944	/nfs/dbraw/zinc/01/59/44/563015944.db2.gz	FXLFNEVHWHPROF-INIZCTEOSA-N	-1	0	444.447	3.529	1	0		IHAFRM
CCCCc1ncc(C[NH2+][C@H](Cc2cccs2)C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000026477544	563032211	/nfs/dbraw/zinc/03/22/11/563032211.db2.gz	RULPDOHXVNFNHJ-HXUWFJFHSA-N	-1	0	441.553	3.819	1	0		IHAFRM
Cc1c(C)c2c(c(C)c1O)CC[C@@H](COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2	ZINC000027429924	563042271	/nfs/dbraw/zinc/04/22/71/563042271.db2.gz	GHVMCVHCRDMSIU-PKOBYXMFSA-N	-1	0	427.522	3.984	1	0		IHAFRM
O=C([O-])COc1cc(F)ccc1C(=O)NCc1nc2cc(C(F)(F)F)ccc2s1	ZINC000028875659	563067635	/nfs/dbraw/zinc/06/76/35/563067635.db2.gz	DPDOABOONBUWMC-UHFFFAOYSA-N	-1	0	428.363	3.848	1	0		IHAFRM
O=C([O-])c1ccccc1NC(=O)CC(=O)Nc1nc2ccc(Br)cc2s1	ZINC000033333374	563084437	/nfs/dbraw/zinc/08/44/37/563084437.db2.gz	RHVATUWRNOLSBR-UHFFFAOYSA-N	-1	0	434.271	3.724	1	0		IHAFRM
O=C([O-])Cc1cccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(Cl)c2)c1	ZINC000034297695	563086046	/nfs/dbraw/zinc/08/60/46/563086046.db2.gz	UWSCJMNTBCHLKW-ORMBLBCUSA-N	-1	0	427.928	3.660	1	0		IHAFRM
COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)[O-])n4)c3n2)cc(OC)c1OC	ZINC000036348791	563093089	/nfs/dbraw/zinc/09/30/89/563093089.db2.gz	IXUQRSPUDDOQPA-UHFFFAOYSA-N	-1	0	449.467	3.602	1	0		IHAFRM
O=C([O-])CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCn1ccnc1	ZINC000038337189	563097517	/nfs/dbraw/zinc/09/75/17/563097517.db2.gz	YYPXONRCPHTUGC-KRWDZBQOSA-N	-1	0	441.981	3.947	1	0		IHAFRM
[NH3+][C@](CO)(CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)COP(=O)([O-])[O-]	ZINC000049068975	563137566	/nfs/dbraw/zinc/13/75/66/563137566.db2.gz	NRSOKUKPKITAQK-QHCPKHFHSA-N	-1	0	443.436	3.878	1	0		IHAFRM
CC(C)[C@H](NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)no1)C(=O)[O-]	ZINC000084714109	563177891	/nfs/dbraw/zinc/17/78/91/563177891.db2.gz	LATWVAUIOFXUCV-IBGZPJMESA-N	-1	0	440.431	3.964	1	0		IHAFRM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)no1	ZINC000096271193	563196770	/nfs/dbraw/zinc/19/67/70/563196770.db2.gz	QXWOEUMASWNXPT-UHFFFAOYSA-N	-1	0	430.530	3.874	1	0		IHAFRM
C[C@H](CCC(=O)NCC(=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@@]21C	ZINC000253588047	574421495	/nfs/dbraw/zinc/42/14/95/574421495.db2.gz	GHCZAUBVMUEKKP-MPULLTOBSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
Cn1ccnc1-c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3[O-])n2)c1	ZINC000003815601	562938562	/nfs/dbraw/zinc/93/85/62/562938562.db2.gz	ANYDGTKZBSTRJJ-UHFFFAOYSA-N	-1	0	445.435	3.755	1	0		IHAFRM
O=c1[nH]c2cccc([C@@H](NC(c3ccccc3)c3ccccc3)[P@](=O)([O-])O)c2[nH]c1=O	ZINC000013440513	562986209	/nfs/dbraw/zinc/98/62/09/562986209.db2.gz	JWROJMWCABTNDS-QFIPXVFZSA-N	-1	0	437.392	3.597	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccc2[nH]ccc2c1	ZINC000013476857	562989049	/nfs/dbraw/zinc/98/90/49/562989049.db2.gz	AKXFJELFVNHRRF-JOCHJYFZSA-N	-1	0	427.460	3.846	1	0		IHAFRM
CC(C)(C)c1ccc(N2CCN(CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)CC2)cc1	ZINC000013523136	562991453	/nfs/dbraw/zinc/99/14/53/562991453.db2.gz	HQVAUISTGQUBJI-UHFFFAOYSA-N	-1	0	445.567	3.703	1	0		IHAFRM
CC(=O)Oc1c(Br)c2oc(-c3ccccc3)cc([O-])c-2c(=O)c1OC(C)=O	ZINC000013584571	562994920	/nfs/dbraw/zinc/99/49/20/562994920.db2.gz	NTXZFYNQSHRXSP-UHFFFAOYSA-N	-1	0	433.210	3.779	1	0		IHAFRM
CN1C([O-])=C(C(=O)Nc2ccc(Br)cc2)c2ccc(Cl)cc2S1(=O)=O	ZINC000013605530	562997276	/nfs/dbraw/zinc/99/72/76/562997276.db2.gz	DOEZZUPUTCLJND-UHFFFAOYSA-N	-1	0	443.706	3.602	1	0		IHAFRM
CCCCc1ccc(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(=O)[O-])cccn23)cc1	ZINC000013758491	563004746	/nfs/dbraw/zinc/00/47/46/563004746.db2.gz	JCHWCQDRIDQFBJ-UHFFFAOYSA-N	-1	0	436.508	3.567	1	0		IHAFRM
O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@@H](O)COc2cccc(Cl)c2)[C@H](O)C[C@@H]1O	ZINC000013805696	563008445	/nfs/dbraw/zinc/00/84/45/563008445.db2.gz	XECZBZWECQIBDA-LELZANKISA-N	-1	0	428.953	3.643	1	0	in-vitro	IHAFRM
CNc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013832283	563011270	/nfs/dbraw/zinc/01/12/70/563011270.db2.gz	UNFBUKXRNUJSRD-UHFFFAOYSA-N	-1	0	425.452	3.672	1	0		IHAFRM
Cc1cc(C(=O)[O-])nc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn21	ZINC000013861602	563012816	/nfs/dbraw/zinc/01/28/16/563012816.db2.gz	MSTKLYWHGFEENG-UHFFFAOYSA-N	-1	0	425.441	3.613	1	0		IHAFRM
COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000027626467	563044673	/nfs/dbraw/zinc/04/46/73/563044673.db2.gz	CXKCGNWJXTWUOO-LJQANCHMSA-N	-1	0	426.538	3.817	1	0		IHAFRM
O=C([O-])COCCCC[C@H]1[C@H](F)CC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000028230743	563051926	/nfs/dbraw/zinc/05/19/26/563051926.db2.gz	KKNVTOAIMKZKKS-MAZHCROVSA-N	-1	0	442.336	3.660	1	0		IHAFRM
C[C@@H](Oc1ccc(Oc2cnc3ccc(I)cc3n2)cc1)C(=O)[O-]	ZINC000029478684	563080917	/nfs/dbraw/zinc/08/09/17/563080917.db2.gz	PPLDRBXYRIDJRA-SNVBAGLBSA-N	-1	0	436.205	3.879	1	0		IHAFRM
Cc1cc(C(=O)N2CC(F)C2)ccc1[C@@H]1CCCN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000040395396	563100731	/nfs/dbraw/zinc/10/07/31/563100731.db2.gz	ORLLMVOKMXHFRX-SFHVURJKSA-N	-1	0	432.879	3.831	1	0		IHAFRM
CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)[O-])cc1	ZINC000045168123	563122571	/nfs/dbraw/zinc/12/25/71/563122571.db2.gz	JBAWXMHSBSNDCS-BSRJHKFKSA-N	-1	0	443.569	3.654	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2[nH]1	ZINC000045298367	563128841	/nfs/dbraw/zinc/12/88/41/563128841.db2.gz	SWCUCLJSJIARIJ-QFIPXVFZSA-N	-1	0	445.450	3.985	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccc(F)cc2[nH]1	ZINC000045298369	563128849	/nfs/dbraw/zinc/12/88/49/563128849.db2.gz	SWCUCLJSJIARIJ-JOCHJYFZSA-N	-1	0	445.450	3.985	1	0		IHAFRM
O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O	ZINC000049036183	563136387	/nfs/dbraw/zinc/13/63/87/563136387.db2.gz	LVINJTFNRNBHOB-UHFFFAOYSA-N	-1	0	436.807	3.797	1	0		IHAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COCCCCCc1ccccc1	ZINC000058576522	563144973	/nfs/dbraw/zinc/14/49/73/563144973.db2.gz	UKTQZJAMNYPLFL-NRFANRHFSA-N	-1	0	427.497	3.755	1	0		IHAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(C2CCCCC2)cc1	ZINC000061896160	563147327	/nfs/dbraw/zinc/14/73/27/563147327.db2.gz	GYPGQMAXVIJYMK-XMMPIXPASA-N	-1	0	440.565	3.844	3	0		IHAFRM
CN(C(=O)[C@]1(c2ccc(F)cc2)CC1(C)C)[C@@H]1CCc2c(CC(=O)[O-])c3cccnc3n2C1	ZINC000066252111	563160084	/nfs/dbraw/zinc/16/00/84/563160084.db2.gz	UILSBGCHDOPRQV-WXTAPIANSA-N	-1	0	449.526	3.944	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)N(Cc1ccc[n+]([O-])c1)C(=O)c1ccc(Cl)cc1Cl	ZINC000003625550	562936890	/nfs/dbraw/zinc/93/68/90/562936890.db2.gz	ZNJDRRQIWBPUMA-FQEVSTJZSA-N	-1	0	445.302	3.965	1	0		IHAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4ccc(Cl)cc4)cs3)[C@H](C)[C@H]12	ZINC000003825027	562938891	/nfs/dbraw/zinc/93/88/91/562938891.db2.gz	DZOIRJPPPSPFBE-HFOBELJZSA-N	-1	0	436.942	3.709	1	0		IHAFRM
O=C1C[C@H](c2ccccc2Cl)C2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2ccccc2Cl)C1	ZINC000006041910	562946079	/nfs/dbraw/zinc/94/60/79/562946079.db2.gz	IJIHYAYVEBCUAM-HUUCEWRRSA-N	-1	0	431.275	3.576	1	0		IHAFRM
CC(=O)N[C@@H](/C=C/C(C)=C/c1ccccc1Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000013537721	562992511	/nfs/dbraw/zinc/99/25/11/562992511.db2.gz	BFMPUFFBVZOFNK-ARFYTHITSA-N	-1	0	448.563	3.967	1	0		IHAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2F)cc1)C(=O)[O-]	ZINC000013803826	563008068	/nfs/dbraw/zinc/00/80/68/563008068.db2.gz	UWHPJOBPMXNVII-INIZCTEOSA-N	-1	0	430.295	3.643	1	0		IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(C(=O)[O-])cn1	ZINC000013832805	563011382	/nfs/dbraw/zinc/01/13/82/563011382.db2.gz	NRNOODLBWPJJHX-UHFFFAOYSA-N	-1	0	429.484	3.829	1	0		IHAFRM
Nc1ccc(C[C@H](C(=O)[O-])c2cn(-c3ccc(NC(=O)Nc4ccccc4)cc3)cn2)cn1	ZINC000013985365	563014239	/nfs/dbraw/zinc/01/42/39/563014239.db2.gz	NPENPHRKLALGHB-FQEVSTJZSA-N	-1	0	442.479	3.904	1	0		IHAFRM
COc1ccc2c(c1)C[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]31)C2	ZINC000026151456	563029066	/nfs/dbraw/zinc/02/90/66/563029066.db2.gz	NMXQLCMPKWCJFM-JWVZQKBESA-N	-1	0	426.553	3.915	1	0		IHAFRM
O=C([O-])c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1CC1OCCO1	ZINC000026576564	563033728	/nfs/dbraw/zinc/03/37/28/563033728.db2.gz	HOOPNCCFKSIVCO-UHFFFAOYSA-N	-1	0	442.855	3.594	1	0		IHAFRM
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)[O-])N2CCOCC2)cc1	ZINC000026838000	563037443	/nfs/dbraw/zinc/03/74/43/563037443.db2.gz	VUGWDUAFDNEHMZ-QHCPKHFHSA-N	-1	0	436.508	3.599	1	0		IHAFRM
CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1	ZINC000027305865	563041245	/nfs/dbraw/zinc/04/12/45/563041245.db2.gz	FLZLYXVGRMMKAQ-VQTJNVASSA-N	-1	0	425.506	3.650	1	0		IHAFRM
CCCCCOc1ccc(C=CC(=O)Nc2cccc3c2O[C@H](c2nnn[n-]2)CO3)cc1	ZINC000028010693	563049664	/nfs/dbraw/zinc/04/96/64/563049664.db2.gz	VCPKGFRGDDVSMP-YPNIWSFNSA-N	-1	0	435.484	3.933	1	0		IHAFRM
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)COC1	ZINC000028522366	563056116	/nfs/dbraw/zinc/05/61/16/563056116.db2.gz	MSTKYRFDVPTMGG-UHFFFAOYSA-N	-1	0	429.297	3.880	1	0		IHAFRM
C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCCC(=O)[O-])C1	ZINC000029044423	563072408	/nfs/dbraw/zinc/07/24/08/563072408.db2.gz	WRIMUBFPDUIMNO-BETUJISGSA-N	-1	0	425.323	3.761	1	0		IHAFRM
COc1c(N2CCc3sc(C=O)cc3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000028821933	563065538	/nfs/dbraw/zinc/06/55/38/563065538.db2.gz	LJKCUGJKVKGJOE-UHFFFAOYSA-N	-1	0	442.468	3.619	1	0		IHAFRM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc4cc(C(F)(F)F)ccc4s3)[C@H](C)[C@H]12	ZINC000029221326	563076822	/nfs/dbraw/zinc/07/68/22/563076822.db2.gz	BZXKJLOLXAQUJX-XWTBWJTNSA-N	-1	0	444.456	3.561	1	0		IHAFRM
Cc1nc(-c2ccc(O)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1	ZINC000035246695	563089615	/nfs/dbraw/zinc/08/96/15/563089615.db2.gz	CAFOFLPFZNXQRW-UHFFFAOYSA-N	-1	0	426.494	3.996	1	0		IHAFRM
S=c1[n-]nc(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)o1	ZINC000040402219	563100877	/nfs/dbraw/zinc/10/08/77/563100877.db2.gz	CFCSQCDRQFBPKC-INIZCTEOSA-N	-1	0	428.905	3.547	1	0		IHAFRM
Cc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]31)O2	ZINC000040676718	563105965	/nfs/dbraw/zinc/10/59/65/563105965.db2.gz	DKVKSKXAJRIWHG-AOMVNDRDSA-N	-1	0	428.525	3.640	1	0		IHAFRM
Cc1oc(-c2cccc(Br)c2)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040935037	563112579	/nfs/dbraw/zinc/11/25/79/563112579.db2.gz	MCAPGNJZMZZKMC-UHFFFAOYSA-N	-1	0	430.258	3.535	1	0		IHAFRM
Nc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O	ZINC000049112199	563138277	/nfs/dbraw/zinc/13/82/77/563138277.db2.gz	KWLLEIMGWQJDKF-UHFFFAOYSA-N	-1	0	435.823	3.673	1	0		IHAFRM
COc1ccc(OC)c(CC(=O)c2ccc([O-])c(C(=O)NCCc3ccc(F)cc3)c2)c1	ZINC000001661625	562924313	/nfs/dbraw/zinc/92/43/13/562924313.db2.gz	PFUICXQINROWGD-UHFFFAOYSA-N	-1	0	437.467	3.946	1	0		IHAFRM
CN(CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)[O-])cc1)c1nc2ccccc2o1	ZINC000003825040	562938892	/nfs/dbraw/zinc/93/88/92/562938892.db2.gz	IRAAJHYKQDFNFO-SFHVURJKSA-N	-1	0	438.402	3.918	1	0	in-vitro	IHAFRM
CCCn1c(CCc2ccc(OC(C)(C)C(=O)[O-])cc2)nn(Cc2ccc(C)cc2)c1=O	ZINC000012358346	562981643	/nfs/dbraw/zinc/98/16/43/562981643.db2.gz	LVEMRJVUTYZWMQ-UHFFFAOYSA-N	-1	0	437.540	3.839	1	0		IHAFRM
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(C(C)C)CCCO2)C(=O)[O-])cc1	ZINC000013442257	562986522	/nfs/dbraw/zinc/98/65/22/562986522.db2.gz	SSYLLNMYBQFPCH-DFBJGRDBSA-N	-1	0	441.524	3.688	1	0		IHAFRM
CC[C@H](C)c1ccc(N2CCN(CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)CC2)cc1	ZINC000013523144	562991433	/nfs/dbraw/zinc/99/14/33/562991433.db2.gz	KLNIHTYXOOSMBC-SFHVURJKSA-N	-1	0	445.567	3.919	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2C1	ZINC000013589842	562996469	/nfs/dbraw/zinc/99/64/69/562996469.db2.gz	KDUABGHADAVNCI-HSZRJFAPSA-N	-1	0	426.472	3.691	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)C1=Cc2ccccc2C1	ZINC000013589843	562996477	/nfs/dbraw/zinc/99/64/77/562996477.db2.gz	KDUABGHADAVNCI-QHCPKHFHSA-N	-1	0	426.472	3.691	1	0		IHAFRM
O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)cc(F)c3s2)c(=O)c2ccccc12	ZINC000013860780	563012591	/nfs/dbraw/zinc/01/25/91/563012591.db2.gz	OUVWKDIWVGTHPR-UHFFFAOYSA-N	-1	0	437.374	3.840	1	0		IHAFRM
COc1cc2nc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)sc2c(C(F)(F)F)c1	ZINC000013860784	563012596	/nfs/dbraw/zinc/01/25/96/563012596.db2.gz	GPDJBSXMCKRELI-UHFFFAOYSA-N	-1	0	449.410	3.709	1	0		IHAFRM
CN1c2ccccc2C(C2CCCCC2)=N[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O	ZINC000013900146	563013892	/nfs/dbraw/zinc/01/38/92/563013892.db2.gz	OVLVJEWIMTYWCH-NRFANRHFSA-N	-1	0	434.496	3.878	1	0		IHAFRM
O=C([O-])c1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1	ZINC000026015948	563028565	/nfs/dbraw/zinc/02/85/65/563028565.db2.gz	JMKSBTHBIHNXTG-RUZDIDTESA-N	-1	0	430.412	3.512	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCCCOc2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027208300	563040860	/nfs/dbraw/zinc/04/08/60/563040860.db2.gz	USEPDHPMKRJNFK-JOCHJYFZSA-N	-1	0	440.496	3.917	1	0		IHAFRM
CC(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC1	ZINC000032016746	563084001	/nfs/dbraw/zinc/08/40/01/563084001.db2.gz	VWUYHEKVBSQYAB-UHFFFAOYSA-N	-1	0	445.441	3.637	1	0		IHAFRM
NC(=O)/C=C/c1ccc(NC(=O)/C=C2\C[C@@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040488558	563104048	/nfs/dbraw/zinc/10/40/48/563104048.db2.gz	HVJBIJGJCDCLAM-IHABXLNPSA-N	-1	0	446.290	3.783	1	0		IHAFRM
CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)ccc1C(=O)[O-]	ZINC000058655521	563146010	/nfs/dbraw/zinc/14/60/10/563146010.db2.gz	MVWFAKKKMGICFP-UHFFFAOYSA-N	-1	0	425.441	3.516	1	0	in-vitro	IHAFRM
CCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)CCc2cccs2)cc1	ZINC000061904790	563148265	/nfs/dbraw/zinc/14/82/65/563148265.db2.gz	YYFPWWHYANKKGF-JOCHJYFZSA-N	-1	0	448.610	3.519	3	0		IHAFRM
O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000064511941	563154016	/nfs/dbraw/zinc/15/40/16/563154016.db2.gz	BDPGEMALELUGPJ-UHFFFAOYSA-N	-1	0	449.517	3.638	1	0		IHAFRM
COc1cccc(N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)s3)CC2)c1	ZINC000064541002	563155348	/nfs/dbraw/zinc/15/53/48/563155348.db2.gz	KJECTNAPFUILOJ-UHFFFAOYSA-N	-1	0	441.397	3.791	1	0		IHAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000066099537	563158119	/nfs/dbraw/zinc/15/81/19/563158119.db2.gz	VWOZHKOGAUJLBW-OAHLLOKOSA-N	-1	0	432.929	3.557	1	0		IHAFRM
COC(=O)OCC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-]	ZINC000072172008	563165048	/nfs/dbraw/zinc/16/50/48/563165048.db2.gz	OOZYOYDRTHOCKV-FQEVSTJZSA-N	-1	0	436.464	3.695	1	0		IHAFRM
CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073163917	563169566	/nfs/dbraw/zinc/16/95/66/563169566.db2.gz	QZDKZPDCVTYPII-UHFFFAOYSA-N	-1	0	426.542	3.900	1	0		IHAFRM
COc1ccc(-c2nc(-c3ccc4c(c3)CCN4C(=O)CCC(=O)[O-])no2)cc1Cl	ZINC000073166700	563169703	/nfs/dbraw/zinc/16/97/03/563169703.db2.gz	GCWOVNUWMJMXTO-UHFFFAOYSA-N	-1	0	427.844	3.820	1	0		IHAFRM
C[C@H](CCC(=O)NCC(=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@@]21C	ZINC000253588049	571855036	/nfs/dbraw/zinc/85/50/36/571855036.db2.gz	GHCZAUBVMUEKKP-PKEUIFFESA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
C[C@H](CCC(=O)NCC(=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@@]21C	ZINC000008551806	574412901	/nfs/dbraw/zinc/41/29/01/574412901.db2.gz	GHCZAUBVMUEKKP-CSZLIGEGSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
CCCCc1ncc(C[NH2+][C@@H](Cc2cccs2)C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000001552298	562922915	/nfs/dbraw/zinc/92/29/15/562922915.db2.gz	RULPDOHXVNFNHJ-FQEVSTJZSA-N	-1	0	441.553	3.819	1	0		IHAFRM
CCOP(=O)(OCC)Oc1c2[nH]cc(C(=O)[O-])c2c2cc(C(=O)OC)[nH]c2c1OC	ZINC000001647567	562923688	/nfs/dbraw/zinc/92/36/88/562923688.db2.gz	JTRYRIJOIVZDAQ-UHFFFAOYSA-N	-1	0	440.345	3.703	1	0		IHAFRM
C/C=C\[C@@H](CC(=O)[O-])CN1CCC2=C(C1)[C@H](S(=O)(=O)C(F)(F)F)c1ccccc12	ZINC000005923636	562945413	/nfs/dbraw/zinc/94/54/13/562945413.db2.gz	NYLYHAJBSAZDTF-RXPBCRMOSA-N	-1	0	429.460	3.802	1	0		IHAFRM
C[C@](CCCCn1cnc2c1NC=NC[C@@H]2O)(Cc1cccc(Br)c1)C(=O)[O-]	ZINC000013807367	563008607	/nfs/dbraw/zinc/00/86/07/563008607.db2.gz	WJETXDWIILBXCI-JXFKEZNVSA-N	-1	0	449.349	3.637	1	0		IHAFRM
CCCCc1ncc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000026473994	563032125	/nfs/dbraw/zinc/03/21/25/563032125.db2.gz	MAKQOQPMIFHNRJ-JOCHJYFZSA-N	-1	0	435.524	3.758	1	0		IHAFRM
Cc1cnc(NC(=O)C2=C([O-])c3sc4cc(Cl)ccc4c3S(=O)(=O)N2C)s1	ZINC000028086667	563050240	/nfs/dbraw/zinc/05/02/40/563050240.db2.gz	UBPIMSWOWUHPRX-UHFFFAOYSA-N	-1	0	441.943	3.819	1	0		IHAFRM
O=C([O-])c1cccc(C(=O)N2CCC(CNC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1	ZINC000036330674	563092821	/nfs/dbraw/zinc/09/28/21/563092821.db2.gz	XGXVIKAOHWOFHU-UHFFFAOYSA-N	-1	0	439.556	3.505	1	0		IHAFRM
Cc1c(Cc2cccn2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000036487485	563095642	/nfs/dbraw/zinc/09/56/42/563095642.db2.gz	YSVZRJDOEFUDEM-UHFFFAOYSA-N	-1	0	426.469	3.803	1	0		IHAFRM
Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000043014812	563116783	/nfs/dbraw/zinc/11/67/83/563116783.db2.gz	DIVIDMCKVVAOIJ-UHFFFAOYSA-N	-1	0	432.807	3.881	1	0		IHAFRM
Nc1cc(Cn2c3ccc(C(F)(F)F)cc3c(-c3ccc[nH]c3=O)c2C(=O)[O-])ccn1	ZINC000043202982	563119452	/nfs/dbraw/zinc/11/94/52/563119452.db2.gz	CNFSTRPHYZHTGV-UHFFFAOYSA-N	-1	0	428.370	3.739	1	0	in-vitro	IHAFRM
CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000061903846	563148005	/nfs/dbraw/zinc/14/80/05/563148005.db2.gz	YTUBFVOUYKULBF-QFIPXVFZSA-N	-1	0	448.972	3.747	3	0		IHAFRM
COC(=O)c1cc([C@@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O	ZINC000084705714	563176852	/nfs/dbraw/zinc/17/68/52/563176852.db2.gz	ZIRSBBTWQFRBPX-OAHLLOKOSA-N	-1	0	446.569	3.562	1	0		IHAFRM
Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1	ZINC000084713940	563177884	/nfs/dbraw/zinc/17/78/84/563177884.db2.gz	ZZGCBRWNLYUIBM-FDFHNCONSA-N	-1	0	428.444	3.744	1	0		IHAFRM
COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)CC(=O)[O-]	ZINC000084724863	563178133	/nfs/dbraw/zinc/17/81/33/563178133.db2.gz	JCMVWBWVWPXXCV-UHFFFAOYSA-N	-1	0	443.525	3.533	1	0		IHAFRM
Cc1csc([C@](C)(O)c2nnc([N-]c3ccn(Cc4c(F)cccc4F)n3)s2)n1	ZINC000095921165	563195040	/nfs/dbraw/zinc/19/50/40/563195040.db2.gz	UXRSVTXAGGLLHU-SFHVURJKSA-N	-1	0	434.497	3.825	1	0	in-vitro	IHAFRM
O=C([O-])COc1cccc(CCn2nc(-c3ccccc3)c(-c3ccccc3)nc2=O)c1	ZINC000000586814	562918250	/nfs/dbraw/zinc/91/82/50/562918250.db2.gz	GPURFBUGAZAPOV-UHFFFAOYSA-N	-1	0	427.460	3.678	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Cc2ccc3c(c2)OCO3)c1Cl	ZINC000000601928	562918723	/nfs/dbraw/zinc/91/87/23/562918723.db2.gz	GQABMKHWSKPQNS-UHFFFAOYSA-N	-1	0	440.886	3.653	1	0		IHAFRM
O=C([O-])c1c(=O)n(Cc2ccc3c(c2)OCO3)c2ccccc2c1-c1ccc2c(c1)OCO2	ZINC000000841056	562919383	/nfs/dbraw/zinc/91/93/83/562919383.db2.gz	OSBLNXUUIIXGRY-UHFFFAOYSA-N	-1	0	443.411	3.872	1	0		IHAFRM
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc3)s2)cc1	ZINC000003973680	562940297	/nfs/dbraw/zinc/94/02/97/562940297.db2.gz	ZAMDOHCMZRPYMW-LJQANCHMSA-N	-1	0	446.550	3.873	1	0		IHAFRM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl	ZINC000008598248	562954270	/nfs/dbraw/zinc/95/42/70/562954270.db2.gz	WYZYRJGJVBPWMM-UHFFFAOYSA-N	-1	0	428.919	3.592	1	0		IHAFRM
C[C@H](N[C@@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O)c1cccc2ccccc21	ZINC000013440526	562986184	/nfs/dbraw/zinc/98/61/84/562986184.db2.gz	LYKXCFZRVHBZJS-LAJNKCICSA-N	-1	0	425.381	3.721	1	0		IHAFRM
Cc1nccn1-c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3[O-])n2)c1	ZINC000013474068	562988662	/nfs/dbraw/zinc/98/86/62/562988662.db2.gz	FPJQFZBVRKRMTC-UHFFFAOYSA-N	-1	0	445.435	3.848	1	0		IHAFRM
O=C([O-])Cn1c(=O)c2c3c(sc2n(Cc2ccc(Cl)c(Cl)c2)c1=O)CCCC3	ZINC000013649906	562998996	/nfs/dbraw/zinc/99/89/96/562998996.db2.gz	FMUNRKWQDHAVLQ-UHFFFAOYSA-N	-1	0	439.320	3.543	1	0		IHAFRM
CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000013861075	563012612	/nfs/dbraw/zinc/01/26/12/563012612.db2.gz	LKXLPBCYQGOVBH-MMKWGKFASA-N	-1	0	439.487	3.797	1	0		IHAFRM
Cc1nn2c(nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c2ccc(F)cc2)c1C	ZINC000013889365	563013770	/nfs/dbraw/zinc/01/37/70/563013770.db2.gz	ZIWNPJVTCCAIRH-BGGMYYEUSA-N	-1	0	439.487	3.629	1	0		IHAFRM
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@@H](CC(=O)[O-])C(=O)[O-])cc(-c4ccccc4)c3O)nc2c1	ZINC000014955437	563015840	/nfs/dbraw/zinc/01/58/40/563015840.db2.gz	FXLFNEVHWHPROF-MRXNPFEDSA-N	-1	0	444.447	3.529	1	0		IHAFRM
COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1ccccc1C(F)(F)F	ZINC000027618811	563044511	/nfs/dbraw/zinc/04/45/11/563044511.db2.gz	TYFWDERYXPQWSY-MRXNPFEDSA-N	-1	0	438.427	3.538	1	0		IHAFRM
COc1c(N2C[C@@H](C)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(O)cc3)c21	ZINC000028458129	563054891	/nfs/dbraw/zinc/05/48/91/563054891.db2.gz	GRMMBRLAIGZRIB-CHWSQXEVSA-N	-1	0	426.444	3.634	1	0		IHAFRM
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1C	ZINC000028524844	563056594	/nfs/dbraw/zinc/05/65/94/563056594.db2.gz	LLLLETXKGBILIV-NHCUHLMSSA-N	-1	0	435.476	3.949	1	0		IHAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OC(=O)c3ccco3)cc2)cc1)C(=O)[O-]	ZINC000028563108	563057635	/nfs/dbraw/zinc/05/76/35/563057635.db2.gz	XCXAYHJOTCYNHW-HXUWFJFHSA-N	-1	0	443.477	3.553	1	0		IHAFRM
CC(C)c1cc(Cc2c(Br)cc(CC(=O)[O-])cc2Br)n[nH]c1=O	ZINC000034842577	563088303	/nfs/dbraw/zinc/08/83/03/563088303.db2.gz	GPQLQJCVSFKHSX-UHFFFAOYSA-N	-1	0	444.123	3.636	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1	ZINC000040395223	563100696	/nfs/dbraw/zinc/10/06/96/563100696.db2.gz	RKRFSLGRJVQJPW-JOCHJYFZSA-N	-1	0	443.459	3.552	1	0		IHAFRM
Cc1oc(-c2ccc(Br)cc2)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040935589	563112665	/nfs/dbraw/zinc/11/26/65/563112665.db2.gz	YANFHAKVMRVJEH-UHFFFAOYSA-N	-1	0	430.258	3.535	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1	ZINC000045285171	563128183	/nfs/dbraw/zinc/12/81/83/563128183.db2.gz	ZKMGIBHOEPRHRQ-OAQYLSRUSA-N	-1	0	445.450	3.985	1	0		IHAFRM
O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O	ZINC000049036185	563136408	/nfs/dbraw/zinc/13/64/08/563136408.db2.gz	SEVZMDZOXGHKNY-UHFFFAOYSA-N	-1	0	436.807	3.797	1	0		IHAFRM
CSc1nc2nc(-c3ccco3)nn2c(=NC(=O)C(c2ccccc2)c2ccccc2)[n-]1	ZINC000049068073	563137444	/nfs/dbraw/zinc/13/74/44/563137444.db2.gz	YBQYCFLVEKFGGT-UHFFFAOYSA-N	-1	0	442.504	3.694	1	0		IHAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1cccc2ccccc21	ZINC000061906508	563148545	/nfs/dbraw/zinc/14/85/45/563148545.db2.gz	GNEYHEMFGBAXHI-QFIPXVFZSA-N	-1	0	442.924	3.603	3	0		IHAFRM
CC[C@@H]1C=C(C(=O)[O-])[C@H](c2ccc(OC)c(OC)c2)N1S(=O)(=O)c1ccc(C)cc1	ZINC000061947041	563151267	/nfs/dbraw/zinc/15/12/67/563151267.db2.gz	SBCQBUCYQLJVDX-IERDGZPVSA-N	-1	0	431.510	3.547	3	0		IHAFRM
COc1ccc(/C=C(/C(=O)N2CCCC[C@H]2C(=O)[O-])c2ccc(OC)c(OC)c2)cc1	ZINC000061948167	563151573	/nfs/dbraw/zinc/15/15/73/563151573.db2.gz	LBNLJLZQQBTZFV-SSUIOBEFSA-N	-1	0	425.481	3.719	3	0		IHAFRM
O=C(NCc1ccc(F)cc1Cl)c1c(=O)[nH]c2cc(Cc3ccccc3)cnc2c1[O-]	ZINC000073160107	563169356	/nfs/dbraw/zinc/16/93/56/563169356.db2.gz	MKBOLWCAEVSPDO-UHFFFAOYSA-N	-1	0	437.858	3.942	1	0		IHAFRM
CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073161402	563169511	/nfs/dbraw/zinc/16/95/11/563169511.db2.gz	URRMAIUCAFIYAR-UHFFFAOYSA-N	-1	0	426.542	3.900	1	0		IHAFRM
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)[C@H]3CCCC[C@H]3C)C(=O)[O-])cc2)n1	ZINC000084758878	563179742	/nfs/dbraw/zinc/17/97/42/563179742.db2.gz	CDROWTZQLMBXDQ-WTNAPCKOSA-N	-1	0	439.556	3.683	1	0		IHAFRM
CCC[C@H](CO)Nc1nc(S[C@@H](C)c2cnccc2Cl)[n-]c2nc(=O)sc1-2	ZINC000095603169	563193377	/nfs/dbraw/zinc/19/33/77/563193377.db2.gz	WKNNSCHBIPUNFV-VHSXEESVSA-N	-1	0	425.967	3.854	1	0		IHAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)[O-])n1Cc1cccc(-c2ccccc2)c1	ZINC000001543777	562922764	/nfs/dbraw/zinc/92/27/64/562922764.db2.gz	CXAFWBHDYGONMZ-UHFFFAOYSA-N	-1	0	442.471	3.796	1	0		IHAFRM
CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3)c2c1Cl	ZINC000013650285	562999053	/nfs/dbraw/zinc/99/90/53/562999053.db2.gz	RYMOANQPHXHEKC-KBPBESRZSA-N	-1	0	445.853	3.513	1	0		IHAFRM
COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)CN2C(=O)c2ccco2)cc1	ZINC000013746855	563004076	/nfs/dbraw/zinc/00/40/76/563004076.db2.gz	PWNGGMWHTATATP-BULFRSBZSA-N	-1	0	435.432	3.699	1	0		IHAFRM
O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@@H](O)CSc2cccc(F)c2)[C@H](O)C[C@@H]1O	ZINC000013805735	563008448	/nfs/dbraw/zinc/00/84/48/563008448.db2.gz	YTZPMGSDIYCPCW-LELZANKISA-N	-1	0	428.566	3.842	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)cc2O)c1Cl	ZINC000013815779	563009279	/nfs/dbraw/zinc/00/92/79/563009279.db2.gz	BYVAPURPCHCYSP-UHFFFAOYSA-N	-1	0	427.891	3.765	1	0		IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnccc1C(=O)[O-]	ZINC000013832812	563011511	/nfs/dbraw/zinc/01/15/11/563011511.db2.gz	DANORXBBWTVCPC-UHFFFAOYSA-N	-1	0	429.484	3.829	1	0		IHAFRM
O=C([O-])C1(c2csc(NC(=O)c3cccc(COc4ccccc4)n3)n2)CCOCC1	ZINC000028465393	563055265	/nfs/dbraw/zinc/05/52/65/563055265.db2.gz	HUPJRDIHUOBVPN-UHFFFAOYSA-N	-1	0	439.493	3.502	1	0		IHAFRM
C[C@H](N[P@@](=O)(CCc1ccccc1)Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000029216468	563076719	/nfs/dbraw/zinc/07/67/19/563076719.db2.gz	PJJLAARCNXDCQT-AONWTGMDSA-N	-1	0	430.441	3.555	1	0		IHAFRM
COc1ccc(CC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)cc1	ZINC000029410855	563079805	/nfs/dbraw/zinc/07/98/05/563079805.db2.gz	BRLOQACEPRWZNR-UHFFFAOYSA-N	-1	0	426.903	3.933	1	0		IHAFRM
O=C([O-])c1cccc(CN2CCn3c(=O)n(-c4cccc(Cl)c4)c(=O)c4cccc2c43)c1	ZINC000034948256	563088591	/nfs/dbraw/zinc/08/85/91/563088591.db2.gz	XIFLTMVJFNWYBS-UHFFFAOYSA-N	-1	0	447.878	3.524	1	0		IHAFRM
CN(C)CC(=O)Nc1cc(C(=O)[O-])cc(OCc2ccccc2)c1C(=O)c1ccccc1	ZINC000039222842	563098920	/nfs/dbraw/zinc/09/89/20/563098920.db2.gz	OOAHFOUQQRRANU-UHFFFAOYSA-N	-1	0	432.476	3.695	1	0		IHAFRM
CCC[C@H](CC(=O)[O-])n1c2ccccc2n(Cc2cc(Cl)cc3c2CC(=O)N3)c1=O	ZINC000043201288	563119472	/nfs/dbraw/zinc/11/94/72/563119472.db2.gz	RVEBHMQQWJLMKI-OAHLLOKOSA-N	-1	0	427.888	3.815	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1	ZINC000045287820	563128473	/nfs/dbraw/zinc/12/84/73/563128473.db2.gz	GIKMPAPHLXAGHY-JOCHJYFZSA-N	-1	0	445.450	3.985	1	0		IHAFRM
CC(=O)Nc1cccc(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4cccc(F)c43)nc2)c1	ZINC000045338259	563131660	/nfs/dbraw/zinc/13/16/60/563131660.db2.gz	HAOMHNAUBMJGJC-UHFFFAOYSA-N	-1	0	431.423	3.908	1	0		IHAFRM
COC(=O)N(CC(=O)[O-])Cc1cccc(OCc2coc(-c3ccc(F)cc3F)n2)c1	ZINC000049109356	563138151	/nfs/dbraw/zinc/13/81/51/563138151.db2.gz	ZYLUUHBSGBPDTC-UHFFFAOYSA-N	-1	0	432.379	3.852	1	0		IHAFRM
CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)[O-])cs1	ZINC000059784244	563146737	/nfs/dbraw/zinc/14/67/37/563146737.db2.gz	WYMHORLLZUTSGD-XPKDBEDXSA-N	-1	0	446.566	3.837	1	0		IHAFRM
Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2ccc(C(=O)[O-])s2)c1	ZINC000073295980	563172079	/nfs/dbraw/zinc/17/20/79/563172079.db2.gz	WPYAKNLHOYCWAN-AAXUHFPESA-N	-1	0	431.579	3.998	1	0		IHAFRM
COC(=O)c1cc([C@H](C)C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O	ZINC000084705712	563176821	/nfs/dbraw/zinc/17/68/21/563176821.db2.gz	ZIRSBBTWQFRBPX-HNNXBMFYSA-N	-1	0	446.569	3.562	1	0		IHAFRM
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)[O-])cc1	ZINC000095562436	563182671	/nfs/dbraw/zinc/18/26/71/563182671.db2.gz	MPOZOLBTFHJUBC-QFIPXVFZSA-N	-1	0	425.506	3.548	1	0		IHAFRM
CCCCOC(=O)COc1cc(=O)c2c([O-])cc(-c3ccc4c(c3)OCCO4)oc-2c1	ZINC000096273320	563196847	/nfs/dbraw/zinc/19/68/47/563196847.db2.gz	VSIHRKWPBRVRCW-UHFFFAOYSA-N	-1	0	426.421	3.659	1	0		IHAFRM
CCc1c(C(=O)C(N)=O)c2c(c3ccccc3cc2OCC(=O)[O-])n1Cc1ccccc1	ZINC000001553103	562922943	/nfs/dbraw/zinc/92/29/43/562922943.db2.gz	YLSSVFGTKZXLPA-UHFFFAOYSA-N	-1	0	430.460	3.537	1	0	in-vitro	IHAFRM
CN(CCc1ccccc1)C(=O)Cc1cc(OCC(=O)[O-])cc(OCc2ccccc2)c1	ZINC000003806453	562938307	/nfs/dbraw/zinc/93/83/07/562938307.db2.gz	MXONDDLPFACAOT-UHFFFAOYSA-N	-1	0	433.504	3.973	1	0		IHAFRM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21	ZINC000009588219	562973689	/nfs/dbraw/zinc/97/36/89/562973689.db2.gz	GYJXDHAIWNOCEU-UHFFFAOYSA-N	-1	0	430.416	3.617	1	0		IHAFRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cc2ccccc2)cc1	ZINC000013778468	563006056	/nfs/dbraw/zinc/00/60/56/563006056.db2.gz	DVIJGAWVVKJCSM-HSZRJFAPSA-N	-1	0	434.517	3.733	1	0		IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cc(C(=O)[O-])ncn1	ZINC000013832804	563011425	/nfs/dbraw/zinc/01/14/25/563011425.db2.gz	FZIQTCZRAFNKFO-UHFFFAOYSA-N	-1	0	429.484	3.829	1	0		IHAFRM
Cc1ncc(C(=O)[O-])c(N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC(C)C)n1	ZINC000013832797	563011488	/nfs/dbraw/zinc/01/14/88/563011488.db2.gz	VNXLIKRRXSTBCZ-UHFFFAOYSA-N	-1	0	443.511	3.993	1	0		IHAFRM
C[NH+](C)CCSc1ccccc1S(=O)(=O)[N-]c1ccc2c(c1C(=O)[O-])CCCC2	ZINC000014964743	563016288	/nfs/dbraw/zinc/01/62/88/563016288.db2.gz	AJLSRHGZNWABFF-UHFFFAOYSA-N	-1	0	434.583	3.718	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Oc2ccccc2)c1Br	ZINC000026176861	563029535	/nfs/dbraw/zinc/02/95/35/563029535.db2.gz	VOXUDBQJZSFURY-UHFFFAOYSA-N	-1	0	443.300	3.827	1	0		IHAFRM
Cc1cc(Cl)cc(CCCOc2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000026752981	563036610	/nfs/dbraw/zinc/03/66/10/563036610.db2.gz	HOJUELIUZSUFTD-RTBURBONSA-N	-1	0	440.895	3.765	1	0		IHAFRM
CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1	ZINC000027305849	563041227	/nfs/dbraw/zinc/04/12/27/563041227.db2.gz	FLZLYXVGRMMKAQ-UXHICEINSA-N	-1	0	425.506	3.650	1	0		IHAFRM
Cc1c(C)c2c(c(C)c1O)CC[C@H](COc1ccc(C[C@H]3SC(=O)[N-]C3=O)cc1)O2	ZINC000027429920	563042300	/nfs/dbraw/zinc/04/23/00/563042300.db2.gz	GHVMCVHCRDMSIU-IEBWSBKVSA-N	-1	0	427.522	3.984	1	0		IHAFRM
CC(C)c1csc(CCc2ccn3c(c2)nc(N2CCCC2)c(/C=C/C(=O)[O-])c3=O)n1	ZINC000027526911	563043358	/nfs/dbraw/zinc/04/33/58/563043358.db2.gz	NJQTVQSQZSVHMM-SOFGYWHQSA-N	-1	0	438.553	3.758	1	0		IHAFRM
Cc1cc(OCCOc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)[O-])cc2)c2ccccc2n1	ZINC000028706712	563062110	/nfs/dbraw/zinc/06/21/10/563062110.db2.gz	SUQBZXDKAQOCKW-JOCHJYFZSA-N	-1	0	433.464	3.714	1	0		IHAFRM
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)s2)cc1	ZINC000034801783	563087527	/nfs/dbraw/zinc/08/75/27/563087527.db2.gz	ZAMDOHCMZRPYMW-IBGZPJMESA-N	-1	0	446.550	3.873	1	0		IHAFRM
C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCCCC2CCCCC2)cc1	ZINC000040403762	563101077	/nfs/dbraw/zinc/10/10/77/563101077.db2.gz	IOBZROVFXAOQQI-FQEVSTJZSA-N	-1	0	428.466	3.581	1	0		IHAFRM
COc1ccc2c(c1)C[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]31)C2	ZINC000040434816	563103697	/nfs/dbraw/zinc/10/36/97/563103697.db2.gz	NMXQLCMPKWCJFM-NLGWHDPLSA-N	-1	0	426.553	3.915	1	0		IHAFRM
COc1cccc(-c2nc(C(=O)N(CC(=O)[O-])Cc3ccc4ccccc4n3)c(C)o2)c1	ZINC000040935234	563112683	/nfs/dbraw/zinc/11/26/83/563112683.db2.gz	NEJSLYNQQIMDHP-UHFFFAOYSA-N	-1	0	431.448	3.934	1	0		IHAFRM
COC(=O)Nc1ccc2c(c1)sc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc12	ZINC000043011951	563116550	/nfs/dbraw/zinc/11/65/50/563116550.db2.gz	HJAMHEUHISNRJU-QGZVFWFLSA-N	-1	0	436.511	3.620	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c(cccc2F)[nH]1	ZINC000045287998	563128535	/nfs/dbraw/zinc/12/85/35/563128535.db2.gz	CCVPDYXWHCZASP-JOCHJYFZSA-N	-1	0	445.450	3.985	1	0		IHAFRM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3cc4ccc([O-])cc4oc3=O)cc2)cc1	ZINC000049050848	563136843	/nfs/dbraw/zinc/13/68/43/563136843.db2.gz	AKALUEITJGCFEJ-UHFFFAOYSA-N	-1	0	435.457	3.839	1	0		IHAFRM
CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1	ZINC000061929483	563150466	/nfs/dbraw/zinc/15/04/66/563150466.db2.gz	ATTLMRHQVLXKND-OAQYLSRUSA-N	-1	0	434.583	3.513	3	0		IHAFRM
Cc1ccc(S(=O)(=O)N2[C@H](C(C)(C)C)C=C(C(=O)[O-])[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000061947033	563151241	/nfs/dbraw/zinc/15/12/41/563151241.db2.gz	GNZWRAAENFWHSJ-SFTDATJTSA-N	-1	0	443.521	3.895	3	0		IHAFRM
Cc1nccn2c1nc(-c1ccc(F)cc1F)c2-c1ccnc(NCC(C)(C)C(=O)[O-])n1	ZINC000063298609	563152275	/nfs/dbraw/zinc/15/22/75/563152275.db2.gz	FXGYCYAFWHJUAS-UHFFFAOYSA-N	-1	0	438.438	3.963	1	0		IHAFRM
CC(C)[C@H](NC(=O)c1cc(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)no1)C(=O)[O-]	ZINC000084704240	563176692	/nfs/dbraw/zinc/17/66/92/563176692.db2.gz	UVWJAGUNUQSFRO-IBGZPJMESA-N	-1	0	425.416	3.572	1	0		IHAFRM
Cc1c(-c2ccc(=O)n(Cc3ccc(F)cc3F)n2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000095558484	563181807	/nfs/dbraw/zinc/18/18/07/563181807.db2.gz	AIFFYVVEYRZFLH-UHFFFAOYSA-N	-1	0	427.382	3.724	1	0		IHAFRM
CCCCc1ncc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])n1Cc1ccc(C(=O)[O-])cc1	ZINC000001552296	562922923	/nfs/dbraw/zinc/92/29/23/562922923.db2.gz	MAKQOQPMIFHNRJ-QFIPXVFZSA-N	-1	0	435.524	3.758	1	0		IHAFRM
O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2cccc(Cl)c2)CC1	ZINC000002972105	562931370	/nfs/dbraw/zinc/93/13/70/562931370.db2.gz	BTJYRRBYCQVSFF-UHFFFAOYSA-N	-1	0	442.972	3.841	1	0		IHAFRM
O=C1C[C@@H](c2ccccc2Cl)C2(C(=O)[N-]C(=O)NC2=O)[C@H](c2ccccc2Cl)C1	ZINC000006041911	562946086	/nfs/dbraw/zinc/94/60/86/562946086.db2.gz	IJIHYAYVEBCUAM-GJZGRUSLSA-N	-1	0	431.275	3.576	1	0		IHAFRM
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000013493337	562990891	/nfs/dbraw/zinc/99/08/91/562990891.db2.gz	FDERFHGPKQZXCV-UHFFFAOYSA-N	-1	0	449.935	3.836	1	0		IHAFRM
CCCCc1ccc(N2CCN(CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)CC2)cc1	ZINC000013523148	562991402	/nfs/dbraw/zinc/99/14/02/562991402.db2.gz	KZBOJCCPPXNSRU-UHFFFAOYSA-N	-1	0	445.567	3.748	1	0		IHAFRM
CN1C([O-])=C(C(=O)Nc2ccc(Br)cc2)c2cc(Cl)ccc2S1(=O)=O	ZINC000013605515	562997318	/nfs/dbraw/zinc/99/73/18/562997318.db2.gz	HZTDOPOJLVKCNV-UHFFFAOYSA-N	-1	0	443.706	3.602	1	0		IHAFRM
CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)ncc1C(=O)[O-]	ZINC000013832793	563011517	/nfs/dbraw/zinc/01/15/17/563011517.db2.gz	ZJONKXVVDYTTBD-UHFFFAOYSA-N	-1	0	429.484	3.747	1	0		IHAFRM
O=C([O-])C[C@@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cccnc1	ZINC000014020430	563014357	/nfs/dbraw/zinc/01/43/57/563014357.db2.gz	VSGFRHHVICROBS-OAQYLSRUSA-N	-1	0	436.556	3.655	1	0		IHAFRM
COc1ccc2c(c1)C[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@H]31)C2	ZINC000026151441	563029010	/nfs/dbraw/zinc/02/90/10/563029010.db2.gz	NMXQLCMPKWCJFM-NYLOPXKBSA-N	-1	0	426.553	3.915	1	0		IHAFRM
CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1CC[C@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000026186901	563029865	/nfs/dbraw/zinc/02/98/65/563029865.db2.gz	ZRSDASSNOLAFQV-RBUKOAKNSA-N	-1	0	441.503	3.716	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)c(OC)c2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027211723	563041015	/nfs/dbraw/zinc/04/10/15/563041015.db2.gz	IPJYXXFSJCSCRB-JOCHJYFZSA-N	-1	0	440.496	3.965	1	0		IHAFRM
CCCCCOc1ccccc1C=CC(=O)Nc1cccc2c1O[C@H](c1nnn[n-]1)CO2	ZINC000028001391	563049285	/nfs/dbraw/zinc/04/92/85/563049285.db2.gz	WVDLRLOBRVVPMZ-SJFMBGHLSA-N	-1	0	435.484	3.933	1	0		IHAFRM
CN(c1cccn([O-])c1=O)S(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1	ZINC000029128716	563075247	/nfs/dbraw/zinc/07/52/47/563075247.db2.gz	WVYUBYOZPPLWTR-UHFFFAOYSA-N	-1	0	440.399	3.722	1	0		IHAFRM
C[C@H](Oc1ccc(Oc2cnc3ccc(I)cc3n2)cc1)C(=O)[O-]	ZINC000029478688	563080930	/nfs/dbraw/zinc/08/09/30/563080930.db2.gz	PPLDRBXYRIDJRA-JTQLQIEISA-N	-1	0	436.205	3.879	1	0		IHAFRM
COC(=O)Nc1ccc2c(c1)sc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc12	ZINC000043011948	563116566	/nfs/dbraw/zinc/11/65/66/563116566.db2.gz	HJAMHEUHISNRJU-KRWDZBQOSA-N	-1	0	436.511	3.620	1	0		IHAFRM
COc1ccc([C@H]2SCC(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000045284745	563128117	/nfs/dbraw/zinc/12/81/17/563128117.db2.gz	NLZUDFLVRUSRKX-OAQYLSRUSA-N	-1	0	441.534	3.670	1	0		IHAFRM
CC(C)(Oc1ccc(CN(CC(=O)NCc2ccccc2)Cc2ccco2)cc1)C(=O)[O-]	ZINC000049045688	563136582	/nfs/dbraw/zinc/13/65/82/563136582.db2.gz	OJQFXZXJQWMGHN-UHFFFAOYSA-N	-1	0	436.508	3.840	1	0		IHAFRM
O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O	ZINC000049785765	563139778	/nfs/dbraw/zinc/13/97/78/563139778.db2.gz	YZCGUQOGRSEYPK-UHFFFAOYSA-N	-1	0	436.807	3.797	1	0		IHAFRM
CCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)CCc2cccs2)cc1	ZINC000061904789	563148190	/nfs/dbraw/zinc/14/81/90/563148190.db2.gz	YYFPWWHYANKKGF-QFIPXVFZSA-N	-1	0	448.610	3.519	3	0		IHAFRM
CN(C(=O)C1(c2ccc(F)cc2)CCC1)[C@@H]1CCc2c(CC(=O)[O-])c3cccnc3n2C1	ZINC000066251800	563159984	/nfs/dbraw/zinc/15/99/84/563159984.db2.gz	XJXZIBHKBKXCGX-GOSISDBHSA-N	-1	0	435.499	3.698	1	0		IHAFRM
COc1cc(CCC[C@@H]2OC(=O)[N-]C2=O)ccc1OCc1nc(-c2ccco2)oc1C	ZINC000001485252	562922141	/nfs/dbraw/zinc/92/21/41/562922141.db2.gz	MWAWVTYQASXVJZ-KRWDZBQOSA-N	-1	0	426.425	3.788	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccnc2ccccc21	ZINC000013589856	562996460	/nfs/dbraw/zinc/99/64/60/562996460.db2.gz	RHAOYCYQCFWYGZ-HSZRJFAPSA-N	-1	0	439.471	3.913	1	0		IHAFRM
COc1cc(OC)nc(O[C@H](C(=O)[O-])C(OC)(c2ccc(C)cc2)c2ccc(C)cc2)n1	ZINC000013756032	563004358	/nfs/dbraw/zinc/00/43/58/563004358.db2.gz	WZQLNTRMQXKHIJ-OAQYLSRUSA-N	-1	0	438.480	3.533	1	0		IHAFRM
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[n-]2)[C@H]1c1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000013781981	563006699	/nfs/dbraw/zinc/00/66/99/563006699.db2.gz	BEQWHMKGQHGLOD-VOBQZIQPSA-N	-1	0	448.445	3.794	1	0		IHAFRM
O=C([O-])c1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccccc2)cc1	ZINC000026015956	563028609	/nfs/dbraw/zinc/02/86/09/563028609.db2.gz	JMKSBTHBIHNXTG-VWLOTQADSA-N	-1	0	430.412	3.512	1	0		IHAFRM
CCCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(CCc1ccccc1)CC(=O)[O-]	ZINC000026749701	563036537	/nfs/dbraw/zinc/03/65/37/563036537.db2.gz	NQOSTVVTVYDONQ-QHCPKHFHSA-N	-1	0	449.551	3.541	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(OC)c(C)c2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027207929	563040909	/nfs/dbraw/zinc/04/09/09/563040909.db2.gz	PCDDSTJWDASXOH-JOCHJYFZSA-N	-1	0	440.496	3.965	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCCC(=O)c2ccccc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027209398	563040939	/nfs/dbraw/zinc/04/09/39/563040939.db2.gz	BGBSFMIFSDDFPQ-JOCHJYFZSA-N	-1	0	438.480	3.721	1	0		IHAFRM
Cc1c(C)c2c(c(C)c1O)CC[C@@H](COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2	ZINC000027429915	563042276	/nfs/dbraw/zinc/04/22/76/563042276.db2.gz	GHVMCVHCRDMSIU-HKUYNNGSSA-N	-1	0	427.522	3.984	1	0		IHAFRM
COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1C[C@H]1SC(=O)[N-]C1=O	ZINC000027629460	563044749	/nfs/dbraw/zinc/04/47/49/563044749.db2.gz	HFTLJJGLBXMZDO-MRXNPFEDSA-N	-1	0	438.427	3.538	1	0		IHAFRM
COc1cccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)[O-])CCCO4)nc3)c(C)o2)c1	ZINC000034717800	563087001	/nfs/dbraw/zinc/08/70/01/563087001.db2.gz	PPRCLJWREXFILH-DEOSSOPVSA-N	-1	0	438.480	3.851	1	0		IHAFRM
CCOC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc3c2c1	ZINC000040431156	563103634	/nfs/dbraw/zinc/10/36/34/563103634.db2.gz	HANNJPXOWYFOHG-SFHVURJKSA-N	-1	0	434.470	3.542	1	0		IHAFRM
COc1ccc([C@@H]2SCC(=O)N2c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1	ZINC000045284747	563128084	/nfs/dbraw/zinc/12/80/84/563128084.db2.gz	NLZUDFLVRUSRKX-NRFANRHFSA-N	-1	0	441.534	3.670	1	0		IHAFRM
Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)[N-]c2ccncn2)cc1F	ZINC000095584173	563188504	/nfs/dbraw/zinc/18/85/04/563188504.db2.gz	SKFQAZYJVRZYKS-UHFFFAOYSA-N	-1	0	443.435	3.748	1	0		IHAFRM
O=C([O-])CCc1sc(/C=C2\NC(=O)CS2)nc1-c1sccc1Br	ZINC000095602959	563193288	/nfs/dbraw/zinc/19/32/88/563193288.db2.gz	MWEVEYGFEQRSOB-BJMVGYQFSA-N	-1	0	431.358	3.813	1	0		IHAFRM
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C	ZINC000012494177	574413007	/nfs/dbraw/zinc/41/30/07/574413007.db2.gz	WVULKSPCQVQLCU-VMMKUXHOSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1	ZINC000001912542	562925403	/nfs/dbraw/zinc/92/54/03/562925403.db2.gz	GXZXQTARIHFJCZ-QFIPXVFZSA-N	-1	0	427.460	3.846	1	0	in-vivo	IHAFRM
COCc1cccc(C[C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H](F)[C@@H]2CCSCCCC(=O)[O-])c1	ZINC000003973002	562940287	/nfs/dbraw/zinc/94/02/87/562940287.db2.gz	IZHJCSHFOPUFEW-WJLXUBJISA-N	-1	0	440.577	3.616	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccc2[nH]ccc2c1	ZINC000013476858	562989032	/nfs/dbraw/zinc/98/90/32/562989032.db2.gz	AKXFJELFVNHRRF-QFIPXVFZSA-N	-1	0	427.460	3.846	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccc2ccccc2n1	ZINC000013589853	562996467	/nfs/dbraw/zinc/99/64/67/562996467.db2.gz	CKFDUCQHQHMDFW-QHCPKHFHSA-N	-1	0	439.471	3.913	1	0		IHAFRM
O=C([O-])C[C@@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(Cl)cc21	ZINC000013601239	562996748	/nfs/dbraw/zinc/99/67/48/562996748.db2.gz	DRWRXTVRANFWAQ-AWEZNQCLSA-N	-1	0	440.652	3.983	1	0		IHAFRM
CSCC[C@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1-c1ccccc1)C(=O)[O-]	ZINC000013781612	563006646	/nfs/dbraw/zinc/00/66/46/563006646.db2.gz	PGFKHGGLFYDGJT-NRFANRHFSA-N	-1	0	449.532	3.937	1	0		IHAFRM
CCCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2cccccc1-2	ZINC000013826230	563010503	/nfs/dbraw/zinc/01/05/03/563010503.db2.gz	IKZMBXISBNQTRV-UHFFFAOYSA-N	-1	0	427.522	3.728	1	0		IHAFRM
CC(C)c1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2cccccc1-2	ZINC000013826232	563010522	/nfs/dbraw/zinc/01/05/22/563010522.db2.gz	OZVBLKWGJIVCIW-UHFFFAOYSA-N	-1	0	427.522	3.899	1	0		IHAFRM
O=C([O-])CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C[C@@H]3COc4ccccc4O3)[C@H]2C1	ZINC000026146703	563028971	/nfs/dbraw/zinc/02/89/71/563028971.db2.gz	WLDPJEVWPSJSAO-NGJMPVEOSA-N	-1	0	428.525	3.722	1	0		IHAFRM
C[C@@H](NC(=O)Cc1cccnc1)C(=O)S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[O-]	ZINC000026574565	563033513	/nfs/dbraw/zinc/03/35/13/563033513.db2.gz	FBWPHUYTCDPWIA-VGOFRKELSA-N	-1	0	448.544	3.752	1	0		IHAFRM
O=C([O-])C[C@H](O)C[C@@H](O)COc1cc(OCc2ccc(F)cc2)c(Cl)cc1Cl	ZINC000026745002	563036311	/nfs/dbraw/zinc/03/63/11/563036311.db2.gz	FBQYTAFBJJNRNA-ZIAGYGMSSA-N	-1	0	433.259	3.677	1	0		IHAFRM
O=C(Nc1cccc2c1O[C@@H](c1nnn[n-]1)CO2)c1ccc(OCCc2ccccc2)cc1	ZINC000028008021	563049568	/nfs/dbraw/zinc/04/95/68/563049568.db2.gz	KEBUCTJWAGUREK-OAQYLSRUSA-N	-1	0	443.463	3.586	1	0		IHAFRM
O=C([O-])c1cc2c(Br)cc3c(c2c(-c2ccc4c(c2)OCO4)c1CO)OCO3	ZINC000028116876	563050948	/nfs/dbraw/zinc/05/09/48/563050948.db2.gz	PKINCEQMLSOQHS-UHFFFAOYSA-N	-1	0	445.221	3.917	1	0		IHAFRM
CCn1ncc2c1nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c2-c1ccc(F)cc1	ZINC000028754682	563063316	/nfs/dbraw/zinc/06/33/16/563063316.db2.gz	QNVNEBULDMBZCP-AQRBRUGDSA-N	-1	0	441.503	3.981	1	0		IHAFRM
CCCCc1nc(Cl)c(COC)n1Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1	ZINC000028761573	563063819	/nfs/dbraw/zinc/06/38/19/563063819.db2.gz	YRVSTXOCNVZKRF-QGZVFWFLSA-N	-1	0	433.936	3.763	1	0		IHAFRM
Cc1nn(-c2ccc(S(=O)(=O)[N-]C(=O)Nc3ccccc3)cc2)c(C)c1Br	ZINC000029401797	563079350	/nfs/dbraw/zinc/07/93/50/563079350.db2.gz	FJCKITJPPMONRQ-UHFFFAOYSA-N	-1	0	449.330	3.762	1	0		IHAFRM
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1S(=O)(=O)c1ccc(O)c(C2CCCCC2)c1	ZINC000029407816	563079642	/nfs/dbraw/zinc/07/96/42/563079642.db2.gz	OJTJYBVJBCPKPZ-UHFFFAOYSA-N	-1	0	431.510	3.913	1	0		IHAFRM
O=C(c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1)N1Cc2ccccc2C[C@H]1CO	ZINC000034886716	563088419	/nfs/dbraw/zinc/08/84/19/563088419.db2.gz	KGHWOLPEOQXVOR-INIZCTEOSA-N	-1	0	433.348	3.558	1	0		IHAFRM
CC(=O)Nc1cc(C(=O)[O-])nn1Cc1cc(Br)ccc1OCc1ccccc1	ZINC000040567295	563105039	/nfs/dbraw/zinc/10/50/39/563105039.db2.gz	YISLSQWNANQTPR-UHFFFAOYSA-N	-1	0	444.285	3.930	1	0		IHAFRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cn3)s2)C[C@@H]1c1ccccc1	ZINC000048998308	563134981	/nfs/dbraw/zinc/13/49/81/563134981.db2.gz	NNOZBVKNPNHPKF-KUHUBIRLSA-N	-1	0	434.926	3.753	1	0		IHAFRM
[NH3+][C@@](CO)(CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)COP(=O)([O-])[O-]	ZINC000049068973	563137575	/nfs/dbraw/zinc/13/75/75/563137575.db2.gz	NRSOKUKPKITAQK-HSZRJFAPSA-N	-1	0	443.436	3.878	1	0		IHAFRM
Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000064527547	563154570	/nfs/dbraw/zinc/15/45/70/563154570.db2.gz	FTNDRAYELRWNAF-UHFFFAOYSA-N	-1	0	442.504	3.866	1	0		IHAFRM
C[C@H](NC(=O)c1cccc2c1N(Cc1cccc(C(N)=O)c1)CC2)c1ccc(C(=O)[O-])cc1	ZINC000066251413	563159958	/nfs/dbraw/zinc/15/99/58/563159958.db2.gz	WWTFBDVIQLCYAL-INIZCTEOSA-N	-1	0	443.503	3.537	1	0		IHAFRM
Cc1cc(C)nc(O[C@H](C(=O)[O-])C(COC(=O)N(C)C)(c2ccccc2)c2ccccc2)n1	ZINC000072170668	563164857	/nfs/dbraw/zinc/16/48/57/563164857.db2.gz	PCIQPAJVIYZMIJ-OAQYLSRUSA-N	-1	0	449.507	3.610	1	0		IHAFRM
Cc1noc2c1c(=O)n(Cc1n[n-]c(=S)n1-c1ccccc1)nc2Cc1ccccc1	ZINC000084616582	563174390	/nfs/dbraw/zinc/17/43/90/563174390.db2.gz	KERDWBUKORLQKK-UHFFFAOYSA-N	-1	0	430.493	3.575	1	0		IHAFRM
NC(=O)NCc1ccc(NC(=O)/C=C/c2c(C(=O)[O-])[nH]c3cc(Cl)cc(Cl)c32)cc1	ZINC000001486257	562922244	/nfs/dbraw/zinc/92/22/44/562922244.db2.gz	NHCAEPYZJFNEGT-AATRIKPKSA-N	-1	0	447.278	3.993	1	0		IHAFRM
CN([N-]S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000026263073	563030270	/nfs/dbraw/zinc/03/02/70/563030270.db2.gz	DPTPYNAQXSOKJR-UHFFFAOYSA-N	-1	0	426.519	3.507	1	0		IHAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1	ZINC000027521193	563042739	/nfs/dbraw/zinc/04/27/39/563042739.db2.gz	DOLJQSYCTYZCTL-YSESTWPTSA-N	-1	0	447.512	3.626	1	0		IHAFRM
C[C@@H]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(c5ccccc5)CC4)cc3n21	ZINC000027524398	563042981	/nfs/dbraw/zinc/04/29/81/563042981.db2.gz	PHZYBBALVYJRIB-ZDUSSCGKSA-N	-1	0	425.485	3.790	1	0		IHAFRM
COc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000027621382	563044501	/nfs/dbraw/zinc/04/45/01/563044501.db2.gz	KTCCGBRQGXGXRY-MRXNPFEDSA-N	-1	0	438.427	3.538	1	0		IHAFRM
O=C([O-])CC/C=C(/c1cccnc1)c1cccc(CCNS(=O)(=O)c2ccccc2)c1	ZINC000027761208	563046887	/nfs/dbraw/zinc/04/68/87/563046887.db2.gz	CARSCMJPENPADT-FSJBWODESA-N	-1	0	436.533	3.899	1	0		IHAFRM
O=C([O-])CCCC/C=C(\c1ccc(C2=N[C@H](C(=O)NCC3CC3)CO2)cc1)c1cccnc1	ZINC000029567513	563082668	/nfs/dbraw/zinc/08/26/68/563082668.db2.gz	CEBNOBKZSVKJSX-RRAPWRIQSA-N	-1	0	447.535	3.830	1	0		IHAFRM
COc1ccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)[O-])CCCO4)nc3)c(C)o2)cc1	ZINC000034717792	563086952	/nfs/dbraw/zinc/08/69/52/563086952.db2.gz	YYRRZFCGMQUACY-DEOSSOPVSA-N	-1	0	438.480	3.851	1	0		IHAFRM
COc1cccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)[O-])CCCO4)cn3)c(C)o2)c1	ZINC000034717813	563087009	/nfs/dbraw/zinc/08/70/09/563087009.db2.gz	MNVXKRKUKYAITA-XMMPIXPASA-N	-1	0	438.480	3.851	1	0		IHAFRM
O=C([O-])c1ccc(C(=O)N2CCC(CNC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000036330677	563092827	/nfs/dbraw/zinc/09/28/27/563092827.db2.gz	CQIDMTXTVVPATC-UHFFFAOYSA-N	-1	0	439.556	3.505	1	0		IHAFRM
COC(=O)c1ccc(Br)c(CSc2nc3ccccc3n2CC(=O)[O-])c1	ZINC000038210383	563096987	/nfs/dbraw/zinc/09/69/87/563096987.db2.gz	KNYPSTYRNRZYFG-UHFFFAOYSA-N	-1	0	435.299	3.962	1	0		IHAFRM
Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2Cc2ccccc2)s1	ZINC000040526525	563104500	/nfs/dbraw/zinc/10/45/00/563104500.db2.gz	BRWWXLQYJXSGDB-UHFFFAOYSA-N	-1	0	427.507	3.521	1	0		IHAFRM
CCNC(=O)Nc1ccc2c(c1)sc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc12	ZINC000043059734	563117544	/nfs/dbraw/zinc/11/75/44/563117544.db2.gz	JPIVNFSAQUANEQ-SFHVURJKSA-N	-1	0	449.554	3.583	1	0		IHAFRM
COc1cc([C@H]2NC(=S)N=C(c3ccc(C)cc3)C2CCC(=O)[O-])cc(OC)c1OC	ZINC000058498670	563143598	/nfs/dbraw/zinc/14/35/98/563143598.db2.gz	OJDOKOVFNGPHHT-OAQYLSRUSA-N	-1	0	442.537	3.816	1	0		IHAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)c1ccc(C2CCCCC2)cc1	ZINC000061896161	563147359	/nfs/dbraw/zinc/14/73/59/563147359.db2.gz	GYPGQMAXVIJYMK-DEOSSOPVSA-N	-1	0	440.565	3.844	3	0		IHAFRM
CCC(=O)OCC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-]	ZINC000072172209	563165044	/nfs/dbraw/zinc/16/50/44/563165044.db2.gz	VZBDBHKWCMDRDL-JOCHJYFZSA-N	-1	0	434.492	3.865	1	0		IHAFRM
CC[C@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073142268	563169061	/nfs/dbraw/zinc/16/90/61/563169061.db2.gz	WFJBUKXLKMXFQU-INIZCTEOSA-N	-1	0	426.542	3.818	1	0		IHAFRM
COC(=O)[C@]1(O)C(=O)c2c([O-])c(Br)c(C)cc2[C@H]2[C@@H](C(C)C)CC[C@]21C	ZINC000095612536	563194247	/nfs/dbraw/zinc/19/42/47/563194247.db2.gz	ZUMYUUHSQZYLPD-VKUYIICUSA-N	-1	0	425.319	3.719	1	0		IHAFRM
Cc1c(Cc2ncccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000096173329	563195898	/nfs/dbraw/zinc/19/58/98/563195898.db2.gz	UGRIROPFMGFXMB-UHFFFAOYSA-N	-1	0	438.480	3.992	1	0		IHAFRM
CC(C)(O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21	ZINC000012358408	535283929	/nfs/dbraw/zinc/28/39/29/535283929.db2.gz	VZDBWQNQFMOAPI-JOCHJYFZSA-N	-1	0	441.524	3.818	1	0		IHAFRM
COc1cc(CCC[C@H]2OC(=O)[N-]C2=O)ccc1OCc1nc(-c2ccco2)oc1C	ZINC000003825180	562938923	/nfs/dbraw/zinc/93/89/23/562938923.db2.gz	MWAWVTYQASXVJZ-QGZVFWFLSA-N	-1	0	426.425	3.788	1	0		IHAFRM
CCOC(=O)c1cc2cc(-c3c(=O)c4c(O)cc([O-])cc4oc3C(=O)OCC)ccc2o1	ZINC000004257880	562942976	/nfs/dbraw/zinc/94/29/76/562942976.db2.gz	YFBGAYXNOMDEKN-UHFFFAOYSA-N	-1	0	438.388	3.971	3	0		IHAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)C2(c3ccnnc3)CCCC2)C(=O)[O-])cc1	ZINC000013445315	562986941	/nfs/dbraw/zinc/98/69/41/562986941.db2.gz	WMXZKRJQWPXQIC-QFIPXVFZSA-N	-1	0	445.519	3.776	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc12	ZINC000013476862	562989085	/nfs/dbraw/zinc/98/90/85/562989085.db2.gz	QVYKRCVCIBUXJM-QFIPXVFZSA-N	-1	0	427.460	3.846	1	0		IHAFRM
O=C([O-])[C@H](CCCCc1cccc2c[nH+]cn21)CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000013525515	562991612	/nfs/dbraw/zinc/99/16/12/562991612.db2.gz	ASPNODBVPHUNLM-VGSWGCGISA-N	-1	0	449.507	3.571	1	0		IHAFRM
CCNc1cccc2c1cccc2S(=O)(=O)[N-]c1ncc(Br)nc1OC	ZINC000013761375	563005122	/nfs/dbraw/zinc/00/51/22/563005122.db2.gz	YDPOXHCJDBMWLW-UHFFFAOYSA-N	-1	0	437.319	3.634	1	0		IHAFRM
C[C@](CCCCn1cnc2c1NC=NC[C@@H]2O)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000013807754	563008641	/nfs/dbraw/zinc/00/86/41/563008641.db2.gz	OBFAZXJZCQDBEH-JXFKEZNVSA-N	-1	0	438.450	3.893	1	0		IHAFRM
O=S(=O)([O-])Nc1ccc(-c2nc3ccccc3s2)cc1I	ZINC000026028627	563028823	/nfs/dbraw/zinc/02/88/23/563028823.db2.gz	IOVGHCZSEXYDNA-UHFFFAOYSA-N	-1	0	432.264	3.783	1	0		IHAFRM
O=C([O-])CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C[C@H]3COc4ccccc4O3)[C@@H]2C1	ZINC000026146693	563028946	/nfs/dbraw/zinc/02/89/46/563028946.db2.gz	WLDPJEVWPSJSAO-HZJGFANKSA-N	-1	0	428.525	3.722	1	0		IHAFRM
O=C([O-])CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C[C@H]3COc4ccccc4O3)[C@H]2C1	ZINC000026146713	563028974	/nfs/dbraw/zinc/02/89/74/563028974.db2.gz	WLDPJEVWPSJSAO-RUEWELHLSA-N	-1	0	428.525	3.722	1	0		IHAFRM
O=C([O-])[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCCCc1ccccc1	ZINC000026656999	563034917	/nfs/dbraw/zinc/03/49/17/563034917.db2.gz	KVPPVIZXCVWATN-KRWDZBQOSA-N	-1	0	429.325	3.843	1	0		IHAFRM
COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000027621376	563044484	/nfs/dbraw/zinc/04/44/84/563044484.db2.gz	KTCCGBRQGXGXRY-INIZCTEOSA-N	-1	0	438.427	3.538	1	0		IHAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)c(C(F)F)c21	ZINC000027857414	563047432	/nfs/dbraw/zinc/04/74/32/563047432.db2.gz	PXGZEOHHKJIZKB-UHFFFAOYSA-N	-1	0	446.429	3.518	1	0		IHAFRM
COc1c(N2C[C@H](C)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(O)cc3)c21	ZINC000028458406	563054877	/nfs/dbraw/zinc/05/48/77/563054877.db2.gz	GRMMBRLAIGZRIB-BETUJISGSA-N	-1	0	426.444	3.634	1	0		IHAFRM
Cc1ccc2cccc(OCCOc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)[O-])cc3)c2n1	ZINC000028706674	563062070	/nfs/dbraw/zinc/06/20/70/563062070.db2.gz	KMMLBPMQPHFRKX-JOCHJYFZSA-N	-1	0	433.464	3.714	1	0		IHAFRM
Cc1ccc2cccc(OCCOc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)[O-])cc3)c2n1	ZINC000028706676	563062086	/nfs/dbraw/zinc/06/20/86/563062086.db2.gz	KMMLBPMQPHFRKX-QFIPXVFZSA-N	-1	0	433.464	3.714	1	0		IHAFRM
COc1cccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)[O-])CCCO4)nc3)c(C)o2)c1	ZINC000034717801	563086964	/nfs/dbraw/zinc/08/69/64/563086964.db2.gz	PPRCLJWREXFILH-XMMPIXPASA-N	-1	0	438.480	3.851	1	0		IHAFRM
Cc1cc(C(=O)N2CC(F)C2)ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c([O-])cc1O	ZINC000040395397	563100765	/nfs/dbraw/zinc/10/07/65/563100765.db2.gz	ORLLMVOKMXHFRX-GOSISDBHSA-N	-1	0	432.879	3.831	1	0		IHAFRM
Cc1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040411632	563101819	/nfs/dbraw/zinc/10/18/19/563101819.db2.gz	HCYCPIACZUWPPM-UHFFFAOYSA-N	-1	0	435.358	3.671	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c(cccc2F)[nH]1	ZINC000045287996	563128581	/nfs/dbraw/zinc/12/85/81/563128581.db2.gz	CCVPDYXWHCZASP-QFIPXVFZSA-N	-1	0	445.450	3.985	1	0		IHAFRM
COc1ccc2c(c1)CC[C@@H]2[C@@H](CS)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000058584140	563145341	/nfs/dbraw/zinc/14/53/41/563145341.db2.gz	YJSMEONIEBYZRH-TUNNFDKTSA-N	-1	0	438.549	3.564	1	0		IHAFRM
C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)[O-])CCN1C(=O)Cc1ccc(Cl)cc1	ZINC000066114571	563159267	/nfs/dbraw/zinc/15/92/67/563159267.db2.gz	UTYMAGFCZOUQSX-HNNXBMFYSA-N	-1	0	435.351	3.896	1	0		IHAFRM
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(OCCc3ccccc3)cc2)C(=O)[O-])cc1	ZINC000095558262	563181835	/nfs/dbraw/zinc/18/18/35/563181835.db2.gz	TVYPKYLSWYFBFL-QHCPKHFHSA-N	-1	0	439.533	3.591	1	0		IHAFRM
CC(C)[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Nc2ccc(Cl)c(C(=O)[O-])c2)n1	ZINC000000582593	562918222	/nfs/dbraw/zinc/91/82/22/562918222.db2.gz	HNDBWQVNHAAPRA-HNNXBMFYSA-N	-1	0	432.912	3.931	3	0		IHAFRM
CCCc1cn2ncc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000003784352	562937786	/nfs/dbraw/zinc/93/77/86/562937786.db2.gz	FKSQNLMGHVITGQ-UHFFFAOYSA-N	-1	0	427.468	3.682	1	0		IHAFRM
CCO[C@@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-]	ZINC000012358045	562981502	/nfs/dbraw/zinc/98/15/02/562981502.db2.gz	BXQUHZRMBBJMQI-SFHVURJKSA-N	-1	0	425.403	3.676	1	0		IHAFRM
O=C([O-])C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCCCc1ccccc1	ZINC000013533709	562992162	/nfs/dbraw/zinc/99/21/62/562992162.db2.gz	CKYVPHALQOCQFT-SFHVURJKSA-N	-1	0	447.329	3.789	1	0		IHAFRM
CC(=O)c1ccc([N-]S(=O)(=O)c2sc3ccc(F)cc3c2C)c(S(C)(=O)=O)c1	ZINC000013587577	562995745	/nfs/dbraw/zinc/99/57/45/562995745.db2.gz	MHXGYXIKGYLIMZ-UHFFFAOYSA-N	-1	0	441.527	3.756	1	0		IHAFRM
Cc1oc(-c2ccccc2)nc1CN(C)C(=O)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000013887735	563013786	/nfs/dbraw/zinc/01/37/86/563013786.db2.gz	UVODFZILDQFNJX-LJQANCHMSA-N	-1	0	435.505	3.816	1	0		IHAFRM
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2c(n3CCC(=O)[O-])CCCC2)cc1	ZINC000028344496	563052979	/nfs/dbraw/zinc/05/29/79/563052979.db2.gz	HAPWZCGYFISNAG-UHFFFAOYSA-N	-1	0	428.510	3.804	1	0		IHAFRM
Cc1cc(OCCOc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)[O-])cc2)c2ccccc2n1	ZINC000028706715	563062092	/nfs/dbraw/zinc/06/20/92/563062092.db2.gz	SUQBZXDKAQOCKW-QFIPXVFZSA-N	-1	0	433.464	3.714	1	0		IHAFRM
CCCc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-n2cccc2-c2nn[nH]n2)cc1	ZINC000028885402	563068053	/nfs/dbraw/zinc/06/80/53/563068053.db2.gz	VRQIVAUMJYFNSF-UHFFFAOYSA-N	-1	0	427.468	3.706	1	0		IHAFRM
O=C([O-])c1ccc(-c2noc(C3CCN(C(=O)N[C@@H]4C[C@H]4c4ccccc4)CC3)n2)cc1	ZINC000043078667	563118457	/nfs/dbraw/zinc/11/84/57/563118457.db2.gz	ACXQPBJHXILGLA-VQTJNVASSA-N	-1	0	432.480	3.880	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cc(F)ccc2[nH]1	ZINC000045287817	563128457	/nfs/dbraw/zinc/12/84/57/563128457.db2.gz	GIKMPAPHLXAGHY-QFIPXVFZSA-N	-1	0	445.450	3.985	1	0		IHAFRM
Cc1nsc([N-]c2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc32)n1	ZINC000045298868	563128961	/nfs/dbraw/zinc/12/89/61/563128961.db2.gz	KLYQDJNGFRQPRS-UHFFFAOYSA-N	-1	0	431.474	3.868	1	0		IHAFRM
NC(=O)/C=C\c1ccc(NC(=O)/C=C2\C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000079532742	563172876	/nfs/dbraw/zinc/17/28/76/563172876.db2.gz	HVJBIJGJCDCLAM-JFBJCLBTSA-N	-1	0	446.290	3.783	1	0		IHAFRM
O=C([N-]N1CC(=O)N(Cc2ccncc2)C1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000095576206	563185949	/nfs/dbraw/zinc/18/59/49/563185949.db2.gz	YHUHMDWJSWSKHQ-UHFFFAOYSA-N	-1	0	445.262	3.758	1	0		IHAFRM
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164283	574414519	/nfs/dbraw/zinc/41/45/19/574414519.db2.gz	WVULKSPCQVQLCU-VTZNWNJCSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)[O-])n1Cc1ccc(-c2ccccc2)cc1	ZINC000001543778	562922749	/nfs/dbraw/zinc/92/27/49/562922749.db2.gz	VGOLBSXVJJOMNA-UHFFFAOYSA-N	-1	0	442.471	3.796	1	0		IHAFRM
O=C([O-])C[C@H](CC1CCN(C(=O)CCc2ccc3c(n2)NCCC3)CC1)c1cccnc1	ZINC000003942529	562939588	/nfs/dbraw/zinc/93/95/88/562939588.db2.gz	VSGFRHHVICROBS-NRFANRHFSA-N	-1	0	436.556	3.655	1	0		IHAFRM
C/C(=C\Cn1oc(=O)[n-]c1=O)c1cccc(OCCc2nc(-c3ccccc3)oc2C)c1	ZINC000013558112	562993511	/nfs/dbraw/zinc/99/35/11/562993511.db2.gz	CYPPTBULVATBJE-LFIBNONCSA-N	-1	0	433.464	3.818	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)cc(C)c(CO)c2C)c1C	ZINC000013801700	563007853	/nfs/dbraw/zinc/00/78/53/563007853.db2.gz	JUQHCLFCQGFNQE-UHFFFAOYSA-N	-1	0	449.554	3.824	1	0		IHAFRM
COc1ccc2c(ccc(OCC(F)(F)F)c2C(=O)N(C)CC(=O)[O-])c1C(F)(F)F	ZINC000013823578	563010362	/nfs/dbraw/zinc/01/03/62/563010362.db2.gz	OMCKAGBRUYFLAC-UHFFFAOYSA-N	-1	0	439.308	3.965	1	0		IHAFRM
CCCCc1ncc(C(=O)[O-])c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1	ZINC000013832788	563011395	/nfs/dbraw/zinc/01/13/95/563011395.db2.gz	UZEIWFSLLLRAPZ-UHFFFAOYSA-N	-1	0	429.484	3.977	1	0		IHAFRM
Cc1ccc(-c2c([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCO)cc1	ZINC000013864287	563013506	/nfs/dbraw/zinc/01/35/06/563013506.db2.gz	ALQRUULAVXAWSN-UHFFFAOYSA-N	-1	0	441.553	3.921	1	0		IHAFRM
Cc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@H]31)O2	ZINC000026153120	563029029	/nfs/dbraw/zinc/02/90/29/563029029.db2.gz	DKVKSKXAJRIWHG-ACKDDDMVSA-N	-1	0	428.525	3.640	1	0		IHAFRM
CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1	ZINC000027305860	563041229	/nfs/dbraw/zinc/04/12/29/563041229.db2.gz	FLZLYXVGRMMKAQ-PMACEKPBSA-N	-1	0	425.506	3.650	1	0		IHAFRM
CCc1nn(-c2cccc(F)c2)c2nc(Oc3ccc4c([O-])cc(=O)oc4c3)nc(N)c12	ZINC000027902509	563048487	/nfs/dbraw/zinc/04/84/87/563048487.db2.gz	VGPDKZSKSBWHBC-UHFFFAOYSA-N	-1	0	433.399	3.704	1	0		IHAFRM
O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1	ZINC000027985482	563048797	/nfs/dbraw/zinc/04/87/97/563048797.db2.gz	IUUYINVCXZRHOV-UHFFFAOYSA-N	-1	0	434.502	3.796	1	0		IHAFRM
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1C	ZINC000028524845	563056587	/nfs/dbraw/zinc/05/65/87/563056587.db2.gz	LLLLETXKGBILIV-LEWJYISDSA-N	-1	0	435.476	3.949	1	0		IHAFRM
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1C	ZINC000028524842	563056623	/nfs/dbraw/zinc/05/66/23/563056623.db2.gz	LLLLETXKGBILIV-RTWAWAEBSA-N	-1	0	435.476	3.949	1	0		IHAFRM
O=C([O-])COCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12	ZINC000028901032	563069087	/nfs/dbraw/zinc/06/90/87/563069087.db2.gz	QKLWVDQKXUTTEU-UHFFFAOYSA-N	-1	0	446.442	3.611	1	0		IHAFRM
CCc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)C(=CC(=O)[O-])CCCC2	ZINC000029393994	563079104	/nfs/dbraw/zinc/07/91/04/563079104.db2.gz	OOEJDMPSOGBATM-SAPNQHFASA-N	-1	0	443.511	3.659	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2cccc(F)c2[nH]1	ZINC000045286766	563128380	/nfs/dbraw/zinc/12/83/80/563128380.db2.gz	ZKMGIBHOEPRHRQ-NRFANRHFSA-N	-1	0	445.450	3.985	1	0		IHAFRM
CN1c2ccccc2C(C2CCCCC2)=N[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O	ZINC000049672465	563139022	/nfs/dbraw/zinc/13/90/22/563139022.db2.gz	OVLVJEWIMTYWCH-OAQYLSRUSA-N	-1	0	434.496	3.878	1	0		IHAFRM
CCCn1c([O-])nc2cc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)[nH]c2c1=O	ZINC000053276597	563141574	/nfs/dbraw/zinc/14/15/74/563141574.db2.gz	RJEUVUWMGWNOOY-UHFFFAOYSA-N	-1	0	436.443	3.664	1	0		IHAFRM
CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@H](C(N)=O)C[C@]2(CC(C)C)C(=O)[O-])cc1	ZINC000058570467	563144743	/nfs/dbraw/zinc/14/47/43/563144743.db2.gz	JBAWXMHSBSNDCS-IEGUWTFLSA-N	-1	0	443.569	3.654	1	0		IHAFRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)CC2CCCCC2)cc1	ZINC000061904574	563148152	/nfs/dbraw/zinc/14/81/52/563148152.db2.gz	WTCASRNLDALODG-QHCPKHFHSA-N	-1	0	434.602	3.750	3	0		IHAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)CCN1C(=O)c1cccc2ccccc21	ZINC000061906507	563148547	/nfs/dbraw/zinc/14/85/47/563148547.db2.gz	GNEYHEMFGBAXHI-JOCHJYFZSA-N	-1	0	442.924	3.603	3	0		IHAFRM
NC(=O)[C@H](CCC(=O)[O-])NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1	ZINC000087613122	563179974	/nfs/dbraw/zinc/17/99/74/563179974.db2.gz	KDDWLGBIYXTPJG-FQEVSTJZSA-N	-1	0	436.533	3.850	1	0		IHAFRM
Cn1ncc(-c2ccc(-c3ccc(C4(C(=O)[O-])CC4)cc3)cc2)c1NC(=O)OC1COC1	ZINC000095579091	563186848	/nfs/dbraw/zinc/18/68/48/563186848.db2.gz	VTDOTUQBMZKOCE-UHFFFAOYSA-N	-1	0	433.464	3.818	1	0		IHAFRM
CCO[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-]	ZINC000012358046	562981522	/nfs/dbraw/zinc/98/15/22/562981522.db2.gz	BXQUHZRMBBJMQI-GOSISDBHSA-N	-1	0	425.403	3.676	1	0		IHAFRM
CCCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)ccc2n1Cc1ccccc1	ZINC000013445966	562986911	/nfs/dbraw/zinc/98/69/11/562986911.db2.gz	WSYGAPVOCJFWPF-UHFFFAOYSA-N	-1	0	444.468	3.617	1	0		IHAFRM
O=C([O-])[C@@H](CCCCc1cccc2c[nH+]cn21)CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-]	ZINC000013525511	562991608	/nfs/dbraw/zinc/99/16/08/562991608.db2.gz	ASPNODBVPHUNLM-JTSKRJEESA-N	-1	0	449.507	3.571	1	0		IHAFRM
O=C([O-])CS(=O)(=O)c1ccc(-c2cccc(CC(=O)N[C@H]3CCc4ccccc43)c2)cc1	ZINC000013532009	562992182	/nfs/dbraw/zinc/99/21/82/562992182.db2.gz	BMSPUAFKNKGVHS-QHCPKHFHSA-N	-1	0	449.528	3.558	1	0		IHAFRM
O=C([O-])C[C@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cc(Cl)ccc21	ZINC000013601248	562996753	/nfs/dbraw/zinc/99/67/53/562996753.db2.gz	APPWQZVIWAQIHA-CQSZACIVSA-N	-1	0	440.652	3.983	1	0		IHAFRM
CCCOC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(OC)cc(OC)n1)C(=O)[O-]	ZINC000013756047	563004356	/nfs/dbraw/zinc/00/43/56/563004356.db2.gz	JRJABVRRPWBSPB-OAQYLSRUSA-N	-1	0	438.480	3.696	1	0		IHAFRM
CCSc1nnc(COC)n1Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000013825607	563010438	/nfs/dbraw/zinc/01/04/38/563010438.db2.gz	BYTDUTIYAHNDDO-UHFFFAOYSA-N	-1	0	426.498	3.535	1	0		IHAFRM
CC(C)c1s/c(=N\S(=O)(=O)c2cc(Br)ccc2[O-])n(C)c1Cl	ZINC000014165357	563014345	/nfs/dbraw/zinc/01/43/45/563014345.db2.gz	IIWLQNGPKWAHDD-SSZFMOIBSA-N	-1	0	425.757	3.621	1	0		IHAFRM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](Cc1ccccc1[S-])CC(C)C	ZINC000026828610	563037136	/nfs/dbraw/zinc/03/71/36/563037136.db2.gz	DKYCKWKKKJFMCV-FPOVZHCZSA-N	-1	0	428.598	3.662	1	0		IHAFRM
COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000027626461	563044660	/nfs/dbraw/zinc/04/46/60/563044660.db2.gz	CXKCGNWJXTWUOO-IBGZPJMESA-N	-1	0	426.538	3.817	1	0		IHAFRM
CCCCCOc1ccccc1C=CC(=O)Nc1cccc2c1O[C@@H](c1nnn[n-]1)CO2	ZINC000028001396	563049209	/nfs/dbraw/zinc/04/92/09/563049209.db2.gz	WVDLRLOBRVVPMZ-DRUFCSCSSA-N	-1	0	435.484	3.933	1	0		IHAFRM
CCCCCOc1ccc(C=CC(=O)Nc2cccc3c2O[C@@H](c2nnn[n-]2)CO3)cc1	ZINC000028010697	563049698	/nfs/dbraw/zinc/04/96/98/563049698.db2.gz	VCPKGFRGDDVSMP-XEDBTPMOSA-N	-1	0	435.484	3.933	1	0		IHAFRM
Cc1nn(Cc2ccccc2)c(=O)c2nc(/C=C/C(=O)[O-])n3nc(-c4ccccc4)cc3c12	ZINC000028524834	563056616	/nfs/dbraw/zinc/05/66/16/563056616.db2.gz	HYCUNYJNLLCAOX-OUKQBFOZSA-N	-1	0	437.459	3.561	1	0		IHAFRM
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1C	ZINC000028524843	563056621	/nfs/dbraw/zinc/05/66/21/563056621.db2.gz	LLLLETXKGBILIV-SFTDATJTSA-N	-1	0	435.476	3.949	1	0		IHAFRM
Cc1ccc(NC2CN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3F)C2)cc1	ZINC000028819220	563065150	/nfs/dbraw/zinc/06/51/50/563065150.db2.gz	FEDPGAGFCOIMEX-UHFFFAOYSA-N	-1	0	425.435	3.922	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)c1ccccc1	ZINC000029404038	563079444	/nfs/dbraw/zinc/07/94/44/563079444.db2.gz	HYIAZFRTLXUUJA-QHCPKHFHSA-N	-1	0	439.471	3.913	1	0		IHAFRM
C/C=C\[C@@H](CC(=O)[O-])CN1CCC2=C(C1)[C@@H](S(=O)(=O)C(F)(F)F)c1ccccc12	ZINC000031898171	563083655	/nfs/dbraw/zinc/08/36/55/563083655.db2.gz	NYLYHAJBSAZDTF-KDPPXRBMSA-N	-1	0	429.460	3.802	1	0		IHAFRM
S=c1[n-]nc(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)o1	ZINC000040402222	563100895	/nfs/dbraw/zinc/10/08/95/563100895.db2.gz	CFCSQCDRQFBPKC-MRXNPFEDSA-N	-1	0	428.905	3.547	1	0		IHAFRM
O=C([O-])c1ccc(-c2noc(C3CCN(C(=O)N[C@H]4C[C@@H]4c4ccccc4)CC3)n2)cc1	ZINC000043078665	563118474	/nfs/dbraw/zinc/11/84/74/563118474.db2.gz	ACXQPBJHXILGLA-UXHICEINSA-N	-1	0	432.480	3.880	1	0		IHAFRM
CCCCC(C)(C)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)[O-])cs1	ZINC000059783325	563146736	/nfs/dbraw/zinc/14/67/36/563146736.db2.gz	VRUZHKLMXAKPBL-RPWHMATFSA-N	-1	0	428.576	3.888	1	0		IHAFRM
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)c(C)cc2n1Cc1ccccc1	ZINC000013446190	562986902	/nfs/dbraw/zinc/98/69/02/562986902.db2.gz	RTOHXYAECMTFOB-UHFFFAOYSA-N	-1	0	444.468	3.535	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nccc2ccccc21	ZINC000013589858	562996577	/nfs/dbraw/zinc/99/65/77/562996577.db2.gz	GCNYQSFKRKWGIK-JOCHJYFZSA-N	-1	0	439.471	3.913	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2[C@H](O)Cc2ccc3c(c2)OCO3)c1Cl	ZINC000013815679	563009242	/nfs/dbraw/zinc/00/92/42/563009242.db2.gz	GGJUDPCTFYBUCN-LLVKDONJSA-N	-1	0	442.902	3.504	1	0		IHAFRM
O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCCCc1ccccc1	ZINC000026656995	563034912	/nfs/dbraw/zinc/03/49/12/563034912.db2.gz	KVPPVIZXCVWATN-QGZVFWFLSA-N	-1	0	429.325	3.843	1	0		IHAFRM
CC(C)c1cccc2c1C(=O)N(COc1ccc(Cl)c(C(=O)[O-])c1Cl)S2(=O)=O	ZINC000026965039	563038321	/nfs/dbraw/zinc/03/83/21/563038321.db2.gz	QOZLQABBIFSMKC-UHFFFAOYSA-N	-1	0	444.292	3.996	1	0		IHAFRM
COc1c(C[C@@H]2SC(=O)[N-]C2=O)cccc1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000027618868	563044488	/nfs/dbraw/zinc/04/44/88/563044488.db2.gz	KVOBEHAICHPFEF-HNNXBMFYSA-N	-1	0	438.427	3.538	1	0		IHAFRM
CCCCCOc1cccc(C=CC(=O)Nc2cccc3c2O[C@@H](c2nnn[n-]2)CO3)c1	ZINC000028005835	563049464	/nfs/dbraw/zinc/04/94/64/563049464.db2.gz	FLVULROWBMBEMN-YVNCXZRQSA-N	-1	0	435.484	3.933	1	0		IHAFRM
CC(C)Oc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(C)C)[P@@](=O)([O-])O)cc2)cc1	ZINC000028642317	563060508	/nfs/dbraw/zinc/06/05/08/563060508.db2.gz	VKFNDAOTTJONML-LJQANCHMSA-N	-1	0	427.459	3.579	1	0		IHAFRM
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1-c1cccc(N2CCOCC2)c1	ZINC000028966086	563070972	/nfs/dbraw/zinc/07/09/72/563070972.db2.gz	XVYXXIWUFQSTPU-UHFFFAOYSA-N	-1	0	443.887	3.660	1	0		IHAFRM
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCS(=O)(=O)[O-]	ZINC000029312999	563077648	/nfs/dbraw/zinc/07/76/48/563077648.db2.gz	BYSDHPVGGRGTCW-SREVYHEPSA-N	-1	0	438.498	3.548	1	0		IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1c(C(=O)[O-])cnn1C	ZINC000029461826	563080146	/nfs/dbraw/zinc/08/01/46/563080146.db2.gz	ZOMXJIWADDYFMS-UHFFFAOYSA-N	-1	0	431.500	3.772	1	0		IHAFRM
COc1cccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)[O-])CCCO4)cn3)c(C)o2)c1	ZINC000034717812	563086996	/nfs/dbraw/zinc/08/69/96/563086996.db2.gz	MNVXKRKUKYAITA-DEOSSOPVSA-N	-1	0	438.480	3.851	1	0		IHAFRM
O=C([O-])c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc43)CC2)nc1	ZINC000040973293	563115024	/nfs/dbraw/zinc/11/50/24/563115024.db2.gz	OKUDYOSQRBEFPD-UHFFFAOYSA-N	-1	0	425.492	3.640	1	0		IHAFRM
COC(=O)Nc1ccc2c(c1)sc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc12	ZINC000043079444	563118459	/nfs/dbraw/zinc/11/84/59/563118459.db2.gz	KRVMUJILUZQWCW-KRWDZBQOSA-N	-1	0	436.511	3.620	1	0		IHAFRM
O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCOCC1)c(-c1cnccn1)c2C1CCCCC1	ZINC000045373050	563133531	/nfs/dbraw/zinc/13/35/31/563133531.db2.gz	VIRZDOXVYPQCGX-UHFFFAOYSA-N	-1	0	448.523	3.703	1	0		IHAFRM
O=C([O-])CCc1c(C=C2C(=O)Nc3ccc(Br)cc32)[nH]c2c1C(=O)CCC2	ZINC000058468753	563143491	/nfs/dbraw/zinc/14/34/91/563143491.db2.gz	OJQKWSXMDZDKJR-LCYFTJDESA-N	-1	0	429.270	3.806	1	0		IHAFRM
Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000064513380	563154259	/nfs/dbraw/zinc/15/42/59/563154259.db2.gz	IAURCSKXNCKZCP-UHFFFAOYSA-N	-1	0	448.533	3.927	1	0		IHAFRM
CC[C@@H](C)NC(=O)c1c(C)nn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073142266	563169067	/nfs/dbraw/zinc/16/90/67/563169067.db2.gz	WFJBUKXLKMXFQU-MRXNPFEDSA-N	-1	0	426.542	3.818	1	0		IHAFRM
Cc1cc([O-])c(C(=O)CCCCCCC(=O)Nc2c(=O)[nH]c3cssc2-3)c(=O)o1	ZINC000095585372	563188833	/nfs/dbraw/zinc/18/88/33/563188833.db2.gz	JNWWJFCESBXCBN-UHFFFAOYSA-N	-1	0	436.511	3.732	1	0		IHAFRM
C[C@@H](CCC(=O)NCC(=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	ZINC000118913647	571843750	/nfs/dbraw/zinc/84/37/50/571843750.db2.gz	GHCZAUBVMUEKKP-UHGVMHRKSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1snnc1C(=O)[O-]	ZINC000001537671	562922578	/nfs/dbraw/zinc/92/25/78/562922578.db2.gz	SOIBDZQZQCDQNQ-UHFFFAOYSA-N	-1	0	435.513	3.890	1	0		IHAFRM
COc1cc(Nc2nc(NCCC(=O)[O-])nc(-c3ccccc3)n2)ccc1-c1cnco1	ZINC000013445145	562986803	/nfs/dbraw/zinc/98/68/03/562986803.db2.gz	HSTLHBRASAJDIA-UHFFFAOYSA-N	-1	0	432.440	3.832	1	0		IHAFRM
Cc1ccc(S(=O)(=O)NCCc2cc(CCC(=O)[O-])cc(Cc3cccnc3)c2)cc1	ZINC000013765917	563005620	/nfs/dbraw/zinc/00/56/20/563005620.db2.gz	BWGGIGNNYKWFDR-UHFFFAOYSA-N	-1	0	438.549	3.519	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)C(C)C)cc2)c1C	ZINC000013782427	563006816	/nfs/dbraw/zinc/00/68/16/563006816.db2.gz	BACQXHYPRKBLQD-UHFFFAOYSA-N	-1	0	434.539	3.941	1	0		IHAFRM
[NH3+]CCCC[C@H](O[P@@](=O)([O-])CCCCC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026252377	563030059	/nfs/dbraw/zinc/03/00/59/563030059.db2.gz	NXVNNABMMKCSEO-OALUTQOASA-N	-1	0	446.525	3.512	1	0		IHAFRM
Cc1c(C)c2c(c(C)c1O)CC[C@H](COc1ccc(C[C@@H]3SC(=O)[N-]C3=O)cc1)O2	ZINC000027429910	563042302	/nfs/dbraw/zinc/04/23/02/563042302.db2.gz	GHVMCVHCRDMSIU-MJGOQNOKSA-N	-1	0	427.522	3.984	1	0		IHAFRM
Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(C)ccn(C)c2=O)cc1)C(=O)[O-]	ZINC000034298583	563086058	/nfs/dbraw/zinc/08/60/58/563086058.db2.gz	SQKRZWKSHPTTCU-IBGZPJMESA-N	-1	0	438.911	3.748	1	0		IHAFRM
CN(C)S(=O)(=O)N[C@@H](CCCCCC(=O)[O-])c1nc(-c2ccc3ccccc3c2)c[nH]1	ZINC000035975452	563090631	/nfs/dbraw/zinc/09/06/31/563090631.db2.gz	NQPRKQZBLIIAFL-IBGZPJMESA-N	-1	0	444.557	3.702	1	0		IHAFRM
O=C([O-])COc1ccc(Br)cc1C(=O)c1cnn(-c2ccc(Cl)cc2)c1	ZINC000036127033	563091191	/nfs/dbraw/zinc/09/11/91/563091191.db2.gz	BFDKWNZBUIDXIV-UHFFFAOYSA-N	-1	0	435.661	3.983	1	0		IHAFRM
Cc1ccc(Cc2cnc(NCCSCc3ccc(C[NH+](C)C)s3)[nH]c2=O)cn1	ZINC000045324638	563130905	/nfs/dbraw/zinc/13/09/05/563130905.db2.gz	NKBQGJGTYUGEHS-UHFFFAOYSA-N	-1	0	429.615	3.533	1	0		IHAFRM
Nc1cccc(N2C(=O)c3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)[O-])cc3C2=O)c1	ZINC000049045928	563136578	/nfs/dbraw/zinc/13/65/78/563136578.db2.gz	QBXNHGMZTNABMS-UHFFFAOYSA-N	-1	0	435.823	3.673	1	0		IHAFRM
O=C([O-])c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1F	ZINC000049089962	563138178	/nfs/dbraw/zinc/13/81/78/563138178.db2.gz	YGNMNPKCQSOTET-UHFFFAOYSA-N	-1	0	434.876	3.963	1	0		IHAFRM
O=C(NCc1ccc(F)cc1)c1c(=O)c(=O)n(C/C=C/c2ccccc2)[n-]c1C(F)(F)F	ZINC000084711791	563177493	/nfs/dbraw/zinc/17/74/93/563177493.db2.gz	RZXHGXICDNERFE-QPJJXVBHSA-N	-1	0	447.388	3.750	1	0		IHAFRM
COc1c(Cl)c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)nn1-c1ccccc1F	ZINC000095555222	563181272	/nfs/dbraw/zinc/18/12/72/563181272.db2.gz	HDBQZRQUOGDGFO-HNNXBMFYSA-N	-1	0	431.851	3.928	1	0		IHAFRM
O=C([O-])Cc1ccccc1S(=O)(=O)c1ccc(-c2ccc(NC(=O)CF)cc2)cc1	ZINC000095583266	563188172	/nfs/dbraw/zinc/18/81/72/563188172.db2.gz	CREFCFAJHQSGNR-UHFFFAOYSA-N	-1	0	427.453	3.722	1	0		IHAFRM
O=c1c(O)c(-c2ccc(O)c(Cc3ccccc3)c2)oc2cc([O-])cc(OCCCO)c12	ZINC000085569465	291376810	/nfs/dbraw/zinc/37/68/10/291376810.db2.gz	AYQWWAVZRCKBKA-UHFFFAOYSA-N	-1	0	434.444	3.929	1	0	biogenic,in-vitro	IHAFRM
Cc1ccc(C(=O)Nc2ccc(C[P@@](=O)([O-])O)cc2)cc1NC(=O)c1cccc(N)c1	ZINC000001649359	562923767	/nfs/dbraw/zinc/92/37/67/562923767.db2.gz	WDBCDDOIZBYXJE-UHFFFAOYSA-N	-1	0	439.408	3.760	1	0		IHAFRM
CCCOC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(OC)cc(OC)n1)C(=O)[O-]	ZINC000001890490	562925219	/nfs/dbraw/zinc/92/52/19/562925219.db2.gz	JRJABVRRPWBSPB-NRFANRHFSA-N	-1	0	438.480	3.696	1	0		IHAFRM
COCc1ccc([N-]S(=O)(=O)c2sc3ccc(F)cc3c2C)c(S(C)(=O)=O)c1	ZINC000013587579	562995739	/nfs/dbraw/zinc/99/57/39/562995739.db2.gz	RDROHJIRLHRNAR-UHFFFAOYSA-N	-1	0	443.543	3.700	1	0		IHAFRM
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(C(F)(F)F)c3s2)c(=O)c2ccccc12	ZINC000013860778	563012604	/nfs/dbraw/zinc/01/26/04/563012604.db2.gz	RCDQNZCVJPOULL-UHFFFAOYSA-N	-1	0	437.374	3.840	1	0		IHAFRM
Cc1c(C(=O)[O-])cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn21	ZINC000013861612	563012815	/nfs/dbraw/zinc/01/28/15/563012815.db2.gz	QCFDKLAYQIEAPB-UHFFFAOYSA-N	-1	0	425.441	3.613	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCCCOc2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027208304	563040902	/nfs/dbraw/zinc/04/09/02/563040902.db2.gz	USEPDHPMKRJNFK-QFIPXVFZSA-N	-1	0	440.496	3.917	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(OC)cc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027211373	563041091	/nfs/dbraw/zinc/04/10/91/563041091.db2.gz	KZOWFNVOEAYSEM-NRFANRHFSA-N	-1	0	426.469	3.657	1	0		IHAFRM
CCCCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	ZINC000029337364	563078263	/nfs/dbraw/zinc/07/82/63/563078263.db2.gz	URUIHHOMCWZUOL-UHFFFAOYSA-N	-1	0	441.478	3.889	1	0		IHAFRM
CCCOC(=O)Nc1ccc2oc3cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc3c2c1	ZINC000040952975	563114161	/nfs/dbraw/zinc/11/41/61/563114161.db2.gz	WDMMHRSZAREYDM-IBGZPJMESA-N	-1	0	448.497	3.932	1	0		IHAFRM
O=C([O-])c1ccc(-c2noc(C3CCN(C(=O)N[C@@H]4C[C@@H]4c4ccccc4)CC3)n2)cc1	ZINC000043078669	563118463	/nfs/dbraw/zinc/11/84/63/563118463.db2.gz	ACXQPBJHXILGLA-WOJBJXKFSA-N	-1	0	432.480	3.880	1	0		IHAFRM
Cc1ccsc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-]	ZINC000066073905	563157273	/nfs/dbraw/zinc/15/72/73/563157273.db2.gz	CVBUCTGSDPYFLF-KRWDZBQOSA-N	-1	0	426.498	3.682	1	0		IHAFRM
COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066099621	563158138	/nfs/dbraw/zinc/15/81/38/563158138.db2.gz	KAKWGPAVBVJIAN-QGZVFWFLSA-N	-1	0	448.878	3.676	1	0		IHAFRM
CCC(CC)NC(=O)c1cnn(Cc2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073168886	563169767	/nfs/dbraw/zinc/16/97/67/563169767.db2.gz	VAHWUGMTTGPDQF-UHFFFAOYSA-N	-1	0	440.569	3.959	1	0		IHAFRM
CC(C)(O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)[O-])Oc2ccccc21	ZINC000012358409	535284068	/nfs/dbraw/zinc/28/40/68/535284068.db2.gz	VZDBWQNQFMOAPI-QFIPXVFZSA-N	-1	0	441.524	3.818	1	0		IHAFRM
Cc1nn(C)c2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12	ZINC000001546955	562922859	/nfs/dbraw/zinc/92/28/59/562922859.db2.gz	RIYDZQBJNKITGC-AQRBRUGDSA-N	-1	0	441.503	3.806	1	0		IHAFRM
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])OC)ccc2n1Cc1ccccc1	ZINC000013445981	562986949	/nfs/dbraw/zinc/98/69/49/562986949.db2.gz	BFHXFKUYCLKMIL-UHFFFAOYSA-N	-1	0	444.468	3.881	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1c[nH]c2ccccc12	ZINC000013476860	562989076	/nfs/dbraw/zinc/98/90/76/562989076.db2.gz	QVYKRCVCIBUXJM-JOCHJYFZSA-N	-1	0	427.460	3.846	1	0		IHAFRM
Cn1c(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc2ccccc21	ZINC000013589834	562996449	/nfs/dbraw/zinc/99/64/49/562996449.db2.gz	SWUUZPCEVKXNTQ-NRFANRHFSA-N	-1	0	441.487	3.856	1	0		IHAFRM
O=C([O-])CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCn1ccnc1	ZINC000013730381	563001684	/nfs/dbraw/zinc/00/16/84/563001684.db2.gz	NTOVDNVGWCTIPQ-INIZCTEOSA-N	-1	0	427.954	3.556	1	0		IHAFRM
CSCC[C@H](NC(=O)c1ccc(NC(=O)c2cccnc2)cc1-c1ccccc1)C(=O)[O-]	ZINC000013781610	563006645	/nfs/dbraw/zinc/00/66/45/563006645.db2.gz	JDVQRYMXNIEHTK-NRFANRHFSA-N	-1	0	449.532	3.937	1	0		IHAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1	ZINC000013797851	563007555	/nfs/dbraw/zinc/00/75/55/563007555.db2.gz	DOLJQSYCTYZCTL-BREAQWACSA-N	-1	0	447.512	3.626	1	0		IHAFRM
Cc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]31)O2	ZINC000026153132	563029074	/nfs/dbraw/zinc/02/90/74/563029074.db2.gz	DKVKSKXAJRIWHG-RSVKCCDQSA-N	-1	0	428.525	3.640	1	0		IHAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COc1c(Cl)cccc1Cl	ZINC000026941556	563038017	/nfs/dbraw/zinc/03/80/17/563038017.db2.gz	JQQWXGOQMCLDKW-HNNXBMFYSA-N	-1	0	426.252	3.711	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C)c(OC)c2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027211727	563041045	/nfs/dbraw/zinc/04/10/45/563041045.db2.gz	IPJYXXFSJCSCRB-QFIPXVFZSA-N	-1	0	440.496	3.965	1	0		IHAFRM
O=C([O-])c1ccccc1NC(=O)N1[C@@H]2CC[C@H]1[C@@H]1CC[C@H]2N1c1cnc2ccccc2n1	ZINC000028969722	563071171	/nfs/dbraw/zinc/07/11/71/563071171.db2.gz	LJOAVJURLSDXEM-FXELSEDVSA-N	-1	0	429.480	3.744	1	0		IHAFRM
CSc1cccc(-n2c3scnc3c([O-])c(C(=O)NCc3ccc(F)cc3)c2=O)c1	ZINC000035010331	563088770	/nfs/dbraw/zinc/08/87/70/563088770.db2.gz	KVDVTHSMWXNEAW-UHFFFAOYSA-N	-1	0	441.509	3.944	1	0		IHAFRM
CC(C)S(=O)(=O)c1c([O-])n(Cc2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc21	ZINC000036126899	563091200	/nfs/dbraw/zinc/09/12/00/563091200.db2.gz	YIDYOKGMLNVNKI-UHFFFAOYSA-N	-1	0	427.856	3.869	1	0		IHAFRM
COc1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)cc1)[C@@H]2SCCC(=O)[O-]	ZINC000038147688	563096422	/nfs/dbraw/zinc/09/64/22/563096422.db2.gz	VUSBYVLPNZQPMU-JOCHJYFZSA-N	-1	0	442.468	3.951	1	0		IHAFRM
C[C@]1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]32)COc2ccccc2O1	ZINC000040655986	563105822	/nfs/dbraw/zinc/10/58/22/563105822.db2.gz	DZWSDKBRCMMABG-OUTRTSOPSA-N	-1	0	428.525	3.722	1	0		IHAFRM
Cc1oc(-c2ccccc2Br)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040936293	563112874	/nfs/dbraw/zinc/11/28/74/563112874.db2.gz	DJQYUFUGUCKIEX-UHFFFAOYSA-N	-1	0	430.258	3.535	1	0		IHAFRM
COC(=O)Nc1ccc2c(c1)sc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc12	ZINC000043079446	563118452	/nfs/dbraw/zinc/11/84/52/563118452.db2.gz	KRVMUJILUZQWCW-QGZVFWFLSA-N	-1	0	436.511	3.620	1	0		IHAFRM
CCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000045284855	563128080	/nfs/dbraw/zinc/12/80/80/563128080.db2.gz	AIYYEMMWHVIHEP-UHFFFAOYSA-N	-1	0	443.519	3.793	1	0		IHAFRM
CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)[N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000061903845	563148003	/nfs/dbraw/zinc/14/80/03/563148003.db2.gz	YTUBFVOUYKULBF-JOCHJYFZSA-N	-1	0	448.972	3.747	3	0		IHAFRM
C[C@H](NC(=O)c1cccc2c1N(Cc1ccc(C(N)=O)cc1)CC2)c1ccc(C(=O)[O-])cc1	ZINC000066058930	563156887	/nfs/dbraw/zinc/15/68/87/563156887.db2.gz	GRILWJKCWPYXRU-INIZCTEOSA-N	-1	0	443.503	3.537	1	0		IHAFRM
COc1nc2c(cc1Nc1ccc(Cl)c(F)c1)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066102634	563158571	/nfs/dbraw/zinc/15/85/71/563158571.db2.gz	MNSXIVZNBCHJQG-QGZVFWFLSA-N	-1	0	449.866	3.829	1	0		IHAFRM
CCc1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc4c3c2)no1	ZINC000073220793	563170537	/nfs/dbraw/zinc/17/05/37/563170537.db2.gz	YEALYCAODNUTLF-IBGZPJMESA-N	-1	0	443.481	3.586	1	0		IHAFRM
O=C([O-])CCCSCCN1C(=O)OC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1	ZINC000082152840	563173373	/nfs/dbraw/zinc/17/33/73/563173373.db2.gz	JSMUWCDLWMNLAD-YMPXZSTISA-N	-1	0	447.475	3.584	1	0		IHAFRM
O=C([O-])CN1C(=O)[C@@H](n2nc(-c3ccccc3)cc2-c2ccccc2O)c2ccccc21	ZINC000095554884	563181165	/nfs/dbraw/zinc/18/11/65/563181165.db2.gz	PASUAPSWILNSJS-DEOSSOPVSA-N	-1	0	425.444	3.943	1	0		IHAFRM
CC(C)C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)[n-]c2nc(=O)sc1-2	ZINC000095602631	563193175	/nfs/dbraw/zinc/19/31/75/563193175.db2.gz	DPHCMAJDWUKUPJ-LLVKDONJSA-N	-1	0	426.514	3.769	1	0		IHAFRM
C[C@H](CCC(=O)NCC(=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@@]21C	ZINC000029551569	574413992	/nfs/dbraw/zinc/41/39/92/574413992.db2.gz	GHCZAUBVMUEKKP-YXFDNDGFSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
CC(=O)CCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358418	132340836	/nfs/dbraw/zinc/34/08/36/132340836.db2.gz	ZEOKLXBICHLQJB-JOCHJYFZSA-N	-1	0	425.481	3.636	1	0		IHAFRM
C[C@H](NC(=O)Cc1cccc(-c2ccc(S(=O)(=O)CC(=O)[O-])cc2)c1)c1ccccc1	ZINC000003600317	562936786	/nfs/dbraw/zinc/93/67/86/562936786.db2.gz	BTZDSENLZFIOIZ-KRWDZBQOSA-N	-1	0	437.517	3.632	1	0		IHAFRM
Cc1oc(-c2ccccc2)nc1CN(C)C(=O)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000003798427	562938210	/nfs/dbraw/zinc/93/82/10/562938210.db2.gz	UVODFZILDQFNJX-IBGZPJMESA-N	-1	0	435.505	3.816	1	0		IHAFRM
CC(C)(C)OC(=O)N[C@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1	ZINC000006005274	562945689	/nfs/dbraw/zinc/94/56/89/562945689.db2.gz	CSXXRAMOLIGYIL-JENIJYKNSA-N	-1	0	448.560	3.669	1	0		IHAFRM
C[C@](CCCCn1cnc2c1NC=NC[C@H]2O)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000013807758	563008581	/nfs/dbraw/zinc/00/85/81/563008581.db2.gz	OBFAZXJZCQDBEH-UZLBHIALSA-N	-1	0	438.450	3.893	1	0		IHAFRM
CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(N)cc1C(=O)[O-]	ZINC000013832839	563011608	/nfs/dbraw/zinc/01/16/08/563011608.db2.gz	SXTLLAYKMPLFHX-UHFFFAOYSA-N	-1	0	429.484	3.626	1	0		IHAFRM
Cc1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000013833954	563011889	/nfs/dbraw/zinc/01/18/89/563011889.db2.gz	BEKYROJJVQTUPM-ANMDKAQQSA-N	-1	0	428.435	3.861	1	0		IHAFRM
COc1c(C[C@H]2SC(=O)[N-]C2=O)cccc1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000027618875	563044514	/nfs/dbraw/zinc/04/45/14/563044514.db2.gz	KVOBEHAICHPFEF-OAHLLOKOSA-N	-1	0	438.427	3.538	1	0		IHAFRM
CC(C)(C)[C@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)[O-])C(=O)Nc1ccncc1	ZINC000027647704	563045172	/nfs/dbraw/zinc/04/51/72/563045172.db2.gz	GBABKPSGHJLCTJ-WIYYLYMNSA-N	-1	0	425.529	3.665	1	0		IHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)c2ccc(C(F)(F)F)cc2)[C@H](O)C[C@@H]1O	ZINC000028475318	563055718	/nfs/dbraw/zinc/05/57/18/563055718.db2.gz	ZRRKVSYANVATPQ-YEOVQUCXSA-N	-1	0	428.447	3.854	1	0		IHAFRM
CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc([N-]c4nccs4)s3)c2)CC1	ZINC000036184892	563091784	/nfs/dbraw/zinc/09/17/84/563091784.db2.gz	DPCITOXJVNGDHY-UHFFFAOYSA-N	-1	0	445.595	3.799	1	0		IHAFRM
CCC[C@@H](CC(=O)[O-])n1c2ccccc2n(Cc2cc(Cl)cc3c2CC(=O)N3)c1=O	ZINC000043201287	563119479	/nfs/dbraw/zinc/11/94/79/563119479.db2.gz	RVEBHMQQWJLMKI-HNNXBMFYSA-N	-1	0	427.888	3.815	1	0		IHAFRM
O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000064700437	563156655	/nfs/dbraw/zinc/15/66/55/563156655.db2.gz	WYBAGSQUNXRHHB-UHFFFAOYSA-N	-1	0	442.972	3.841	1	0		IHAFRM
CC(C)[C@H](NC(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)no1)C(=O)[O-]	ZINC000068199426	563161080	/nfs/dbraw/zinc/16/10/80/563161080.db2.gz	ORBBNBIJRYABHX-IBGZPJMESA-N	-1	0	440.431	3.964	1	0		IHAFRM
COC(=O)OCC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)[O-]	ZINC000072172009	563165029	/nfs/dbraw/zinc/16/50/29/563165029.db2.gz	OOZYOYDRTHOCKV-HXUWFJFHSA-N	-1	0	436.464	3.695	1	0		IHAFRM
COC([O-])=NC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1	ZINC000072175359	563165393	/nfs/dbraw/zinc/16/53/93/563165393.db2.gz	HRAZLOGCIRTTGT-UHFFFAOYSA-N	-1	0	443.463	3.817	1	0		IHAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3cccnc3)cc2)cc1)C(=O)[O-]	ZINC000073139070	563168801	/nfs/dbraw/zinc/16/88/01/563168801.db2.gz	PZHFNDAAEZLEQQ-JOCHJYFZSA-N	-1	0	440.521	3.715	1	0		IHAFRM
COc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1OC	ZINC000084709522	563177239	/nfs/dbraw/zinc/17/72/39/563177239.db2.gz	GBCSANLUWMPAKB-UHFFFAOYSA-N	-1	0	446.485	3.753	1	0		IHAFRM
NC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4[O-])cnc32)c1	ZINC000095563695	563182989	/nfs/dbraw/zinc/18/29/89/563182989.db2.gz	QSOMIMVEQQLJPU-UHFFFAOYSA-N	-1	0	436.471	3.917	1	0		IHAFRM
COc1cc2nc(Sc3ncccc3C(=O)[O-])n(-c3ccccc3)c(=O)c2cc1OC	ZINC000096258065	563196511	/nfs/dbraw/zinc/19/65/11/563196511.db2.gz	WCUKZLIYKWSVTR-UHFFFAOYSA-N	-1	0	435.461	3.647	1	0		IHAFRM
C[C@@H](CCC(=O)NCC(=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	ZINC000035644465	571753450	/nfs/dbraw/zinc/75/34/50/571753450.db2.gz	GHCZAUBVMUEKKP-AVMJQDEWSA-N	-1	0	449.632	3.594	1	0	endogenous,in-man	IHAFRM
Cc1cccc(CNC(=O)c2cccc(-c3ccc(S(=O)(=O)CC(=O)[O-])cc3)c2)c1C	ZINC000003600313	562936791	/nfs/dbraw/zinc/93/67/91/562936791.db2.gz	CLPXFLZILPINBV-UHFFFAOYSA-N	-1	0	437.517	3.759	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c([nH]1)CCCC2	ZINC000013589875	562996584	/nfs/dbraw/zinc/99/65/84/562996584.db2.gz	OUJJMSXELFZLCE-QFIPXVFZSA-N	-1	0	431.492	3.572	1	0		IHAFRM
CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(-c2nn[nH]n2)cc1	ZINC000013743382	563003611	/nfs/dbraw/zinc/00/36/11/563003611.db2.gz	SUPLNYPFGSYKOO-CPNJWEJPSA-N	-1	0	448.531	3.987	1	0		IHAFRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013778417	563006031	/nfs/dbraw/zinc/00/60/31/563006031.db2.gz	JXFQCSDDKGGRKY-JOCHJYFZSA-N	-1	0	436.489	3.934	1	0		IHAFRM
CCCc1c(COc2ccc(C(=O)CCCc3nnn[n-]3)c(O)c2)ccc(C(C)=O)c1O	ZINC000013824176	563010413	/nfs/dbraw/zinc/01/04/13/563010413.db2.gz	FAOQGOGAVCYLDQ-UHFFFAOYSA-N	-1	0	438.484	3.551	1	0		IHAFRM
CC(C)c1nn(-c2ccccn2)c(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000026186897	563029830	/nfs/dbraw/zinc/02/98/30/563029830.db2.gz	ZRSDASSNOLAFQV-RTBURBONSA-N	-1	0	441.503	3.716	1	0		IHAFRM
CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)c1nccc(-c2ccccc2)n1	ZINC000027315674	563041489	/nfs/dbraw/zinc/04/14/89/563041489.db2.gz	MJIJCXZORNHSKX-FQEVSTJZSA-N	-1	0	434.521	3.553	1	0		IHAFRM
CC(C)Nc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)[O-]	ZINC000027527055	563043366	/nfs/dbraw/zinc/04/33/66/563043366.db2.gz	VFABTBWZDRCTJE-SOFGYWHQSA-N	-1	0	426.542	3.978	1	0		IHAFRM
CCCNc1nc2cc(CCc3nc(C(C)C)cs3)ccn2c(=O)c1/C=C/C(=O)[O-]	ZINC000027547270	563043452	/nfs/dbraw/zinc/04/34/52/563043452.db2.gz	VNDMAENLEBDRAE-SOFGYWHQSA-N	-1	0	426.542	3.979	1	0		IHAFRM
COc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1C(=O)NCc1ccccc1C(F)(F)F	ZINC000027618806	563044436	/nfs/dbraw/zinc/04/44/36/563044436.db2.gz	TYFWDERYXPQWSY-INIZCTEOSA-N	-1	0	438.427	3.538	1	0		IHAFRM
CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1[O-]	ZINC000028347840	563053148	/nfs/dbraw/zinc/05/31/48/563053148.db2.gz	VFIHSHQEJFZETC-UHFFFAOYSA-N	-1	0	448.726	3.702	1	0		IHAFRM
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1CC(=O)[O-]	ZINC000028821517	563065375	/nfs/dbraw/zinc/06/53/75/563065375.db2.gz	RXOZQRSGERTCJX-JKSUJKDBSA-N	-1	0	448.922	3.606	1	0		IHAFRM
C[C@]([NH3+])(COP(=O)([O-])[O-])c1nc(-c2ccc(OCCCCc3ccccc3)cc2)c[nH]1	ZINC000040898740	563110762	/nfs/dbraw/zinc/11/07/62/563110762.db2.gz	GTROXDSLWCVOIS-QFIPXVFZSA-N	-1	0	445.456	3.762	1	0		IHAFRM
COc1cccc(-c2nc(C)c(C(=O)N(CC(=O)[O-])Cc3nc4ccccc4s3)o2)c1	ZINC000040935128	563112555	/nfs/dbraw/zinc/11/25/55/563112555.db2.gz	NOUULLCQZBPKMI-UHFFFAOYSA-N	-1	0	437.477	3.995	1	0		IHAFRM
COC(=O)Nc1ccc2sc3cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc3c2c1	ZINC000043080678	563118547	/nfs/dbraw/zinc/11/85/47/563118547.db2.gz	ALKUUIDKRJZTBK-KRWDZBQOSA-N	-1	0	436.511	3.620	1	0		IHAFRM
COc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC(C(=O)[O-])CC2)n1	ZINC000066104680	563158743	/nfs/dbraw/zinc/15/87/43/563158743.db2.gz	BYAWAXOLOBCSIC-UHFFFAOYSA-N	-1	0	425.316	3.748	1	0		IHAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3ccccn3)cc2)cc1)C(=O)[O-]	ZINC000073139074	563168807	/nfs/dbraw/zinc/16/88/07/563168807.db2.gz	ZTPRFZPZTSRGJM-JOCHJYFZSA-N	-1	0	440.521	3.715	1	0		IHAFRM
COc1ccc(-c2ccc(OC)c(OC)c2OC)c2c1C(=O)C[C@H]2[N-]C(=O)C(F)(F)F	ZINC000084635146	563174809	/nfs/dbraw/zinc/17/48/09/563174809.db2.gz	AHSWGDYQTMNWRW-GFCCVEGCSA-N	-1	0	439.386	3.694	1	0		IHAFRM
CC(C)(C)C(=O)N(CC(=O)[O-])C[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1	ZINC000084687952	563175843	/nfs/dbraw/zinc/17/58/43/563175843.db2.gz	UIOKYSZTQDGGFB-DENIHFKCSA-N	-1	0	440.565	3.902	1	0		IHAFRM
COc1c(O)c2cc(c1OC)-c1cc(ccc1O)CC[C@H](OS(=O)(=O)[O-])CCCC2	ZINC000095572511	563184806	/nfs/dbraw/zinc/18/48/06/563184806.db2.gz	ULRXAJKMNKLJEY-OAHLLOKOSA-N	-1	0	438.498	3.629	1	0		IHAFRM
CC(C)(O)[C@@H](O)Cc1c([O-])c2c(c3c(=O)c(-c4ccc(O)cc4)coc13)OC(C)(C)C=C2	ZINC000014618567	291365780	/nfs/dbraw/zinc/36/57/80/291365780.db2.gz	KDLWJPRQMJSOEH-SFHVURJKSA-N	-1	0	438.476	3.730	1	0	biogenic,in-vitro	IHAFRM
O=c1[nH]c2cccc([C@H](NC(c3ccccc3)c3ccccc3)[P@](=O)([O-])O)c2[nH]c1=O	ZINC000013440511	562986239	/nfs/dbraw/zinc/98/62/39/562986239.db2.gz	JWROJMWCABTNDS-JOCHJYFZSA-N	-1	0	437.392	3.597	1	0		IHAFRM
COc1cc(OC)nc(O[C@H](C(=O)[O-])C(OC)(c2cccc(C)c2)c2cccc(C)c2)n1	ZINC000013756041	563004360	/nfs/dbraw/zinc/00/43/60/563004360.db2.gz	ZPGGGSYEPLVKGB-OAQYLSRUSA-N	-1	0	438.480	3.533	1	0		IHAFRM
C[C@@](CCCCn1cnc2c1NC=NC[C@@H]2O)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000013807752	563008575	/nfs/dbraw/zinc/00/85/75/563008575.db2.gz	OBFAZXJZCQDBEH-OXJNMPFZSA-N	-1	0	438.450	3.893	1	0		IHAFRM
Nc1ccc(C[C@@H](C(=O)[O-])c2cn(-c3ccc(NC(=O)Nc4ccccc4)cc3)cn2)cn1	ZINC000013985363	563014244	/nfs/dbraw/zinc/01/42/44/563014244.db2.gz	NPENPHRKLALGHB-HXUWFJFHSA-N	-1	0	442.479	3.904	1	0		IHAFRM
C[C@]1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]32)COc2ccccc2O1	ZINC000026144209	563028964	/nfs/dbraw/zinc/02/89/64/563028964.db2.gz	DZWSDKBRCMMABG-QLSONGKUSA-N	-1	0	428.525	3.722	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(C)=O)cc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027208272	563040918	/nfs/dbraw/zinc/04/09/18/563040918.db2.gz	IMZHWOPYRVEOPB-JOCHJYFZSA-N	-1	0	438.480	3.851	1	0		IHAFRM
COc1cccc(CC(=O)c2sccc2S(=O)(=O)[N-]c2onc(C)c2Cl)c1	ZINC000029412783	563079929	/nfs/dbraw/zinc/07/99/29/563079929.db2.gz	JLOVRXYLWREQNE-UHFFFAOYSA-N	-1	0	426.903	3.933	1	0		IHAFRM
C/C=C\[C@H](CC(=O)[O-])CN1CCC2=C(C1)[C@@H](S(=O)(=O)C(F)(F)F)c1ccccc12	ZINC000031898168	563083702	/nfs/dbraw/zinc/08/37/02/563083702.db2.gz	NYLYHAJBSAZDTF-XZIMTLALSA-N	-1	0	429.460	3.802	1	0		IHAFRM
COc1ccc(-c2nc(CCOc3ccc(C[C@]4(C(=O)[O-])CCCO4)cn3)c(C)o2)cc1	ZINC000034717802	563087003	/nfs/dbraw/zinc/08/70/03/563087003.db2.gz	HEIQVRRGXSCNIH-DEOSSOPVSA-N	-1	0	438.480	3.851	1	0		IHAFRM
O=C(NCc1ccccn1)c1c2c(c([O-])c3ncccc31)C(=O)N(Cc1ccc(F)cc1)C2	ZINC000036403282	563095157	/nfs/dbraw/zinc/09/51/57/563095157.db2.gz	OUVKQCAXDVOIIT-UHFFFAOYSA-N	-1	0	442.450	3.561	1	0		IHAFRM
O=C([O-])CC[C@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCn1ccnc1	ZINC000038337190	563097511	/nfs/dbraw/zinc/09/75/11/563097511.db2.gz	YYPXONRCPHTUGC-QGZVFWFLSA-N	-1	0	441.981	3.947	1	0		IHAFRM
CC(=O)NCc1ccc(NC(=O)/C=C2\C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040487425	563104103	/nfs/dbraw/zinc/10/41/03/563104103.db2.gz	MEJOLWFQFOZGKV-JQTSXJCQSA-N	-1	0	448.306	3.920	1	0		IHAFRM
O=C([O-])CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)[C@H]2C1	ZINC000040656157	563105866	/nfs/dbraw/zinc/10/58/66/563105866.db2.gz	DJJWXLVUVROWNW-KAPKWLBWSA-N	-1	0	441.524	3.815	1	0		IHAFRM
CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1	ZINC000061929485	563150489	/nfs/dbraw/zinc/15/04/89/563150489.db2.gz	ATTLMRHQVLXKND-NRFANRHFSA-N	-1	0	434.583	3.513	3	0		IHAFRM
CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1C	ZINC000073195603	563169847	/nfs/dbraw/zinc/16/98/47/563169847.db2.gz	UBIPXJMGZGJHMU-UHFFFAOYSA-N	-1	0	426.542	3.900	1	0		IHAFRM
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)[C@H]3CCCC[C@@H]3C)C(=O)[O-])cc2)n1	ZINC000084758879	563179745	/nfs/dbraw/zinc/17/97/45/563179745.db2.gz	CDROWTZQLMBXDQ-HSQYWUDLSA-N	-1	0	439.556	3.683	1	0		IHAFRM
O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCCO)C1=O	ZINC000012358413	562981713	/nfs/dbraw/zinc/98/17/13/562981713.db2.gz	UPYPBDPTACIYLQ-QHCPKHFHSA-N	-1	0	441.524	3.820	1	0		IHAFRM
COc1ccccc1-c1ccc(C[C@H](NC(=O)Cn2cnc(Cl)c2Cl)C(=O)[O-])cc1	ZINC000013445264	562986966	/nfs/dbraw/zinc/98/69/66/562986966.db2.gz	ZLVZNYKWLIVBID-INIZCTEOSA-N	-1	0	448.306	3.678	1	0		IHAFRM
CCc1nc(Br)cnc1[N-]S(=O)(=O)c1cccc2c1cccc2N(C)C	ZINC000013761369	563005103	/nfs/dbraw/zinc/00/51/03/563005103.db2.gz	AXNXKWXEPIXRQC-UHFFFAOYSA-N	-1	0	435.347	3.822	1	0		IHAFRM
C[C@@](CCCCn1cnc2c1NC=NC[C@H]2O)(Cc1cccc(C(F)(F)F)c1)C(=O)[O-]	ZINC000013807756	563008609	/nfs/dbraw/zinc/00/86/09/563008609.db2.gz	OBFAZXJZCQDBEH-OXQOHEQNSA-N	-1	0	438.450	3.893	1	0		IHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(Cl)c2)[C@H](O)CC[C@@H]1O	ZINC000013813146	563008995	/nfs/dbraw/zinc/00/89/95/563008995.db2.gz	ARRQNTXIXMFWIK-LOAYTGKZSA-N	-1	0	438.948	3.585	1	0		IHAFRM
O=C([O-])C[C@H](O)C[C@H](O)COc1cc(OCc2ccc(F)cc2)c(Cl)cc1Cl	ZINC000013824729	563010443	/nfs/dbraw/zinc/01/04/43/563010443.db2.gz	FBQYTAFBJJNRNA-KGLIPLIRSA-N	-1	0	433.259	3.677	1	0		IHAFRM
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)-c1ccccc1CCC2	ZINC000013834023	563011909	/nfs/dbraw/zinc/01/19/09/563011909.db2.gz	CCMPOFFYOLOKIE-OKLSWEBGSA-N	-1	0	436.483	3.767	1	0		IHAFRM
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1	ZINC000027305854	563041212	/nfs/dbraw/zinc/04/12/12/563041212.db2.gz	FLZLYXVGRMMKAQ-WOJBJXKFSA-N	-1	0	425.506	3.650	1	0		IHAFRM
O=C(Nc1cccc2c1O[C@H](c1nnn[n-]1)CO2)c1ccc(OCCc2ccccc2)cc1	ZINC000028008017	563049579	/nfs/dbraw/zinc/04/95/79/563049579.db2.gz	KEBUCTJWAGUREK-NRFANRHFSA-N	-1	0	443.463	3.586	1	0		IHAFRM
CCCCc1ncc(/C=C2/C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(C(=O)OC)cc1	ZINC000036222407	563092213	/nfs/dbraw/zinc/09/22/13/563092213.db2.gz	KDVNHNAVYJGVGP-ZHZULCJRSA-N	-1	0	438.528	3.753	1	0		IHAFRM
COc1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)cc1)[C@H]2SCCC(=O)[O-]	ZINC000038147687	563096361	/nfs/dbraw/zinc/09/63/61/563096361.db2.gz	VUSBYVLPNZQPMU-QFIPXVFZSA-N	-1	0	442.468	3.951	1	0		IHAFRM
C[C@H](CCC(=O)NCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000038429326	563097732	/nfs/dbraw/zinc/09/77/32/563097732.db2.gz	SPOIYSFQOFYOFZ-NUMGQFIKSA-N	-1	0	449.632	3.594	1	0		IHAFRM
COc1ccc(-c2csc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc3)n2)cc1	ZINC000040465769	563103854	/nfs/dbraw/zinc/10/38/54/563103854.db2.gz	GUXHGWLTAOJOHK-LJQANCHMSA-N	-1	0	446.550	3.873	1	0		IHAFRM
CC(=O)NCc1ccc(NC(=O)/C=C2\C[C@@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040487426	563104105	/nfs/dbraw/zinc/10/41/05/563104105.db2.gz	MEJOLWFQFOZGKV-UTGRISEESA-N	-1	0	448.306	3.920	1	0		IHAFRM
Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000040873501	563109190	/nfs/dbraw/zinc/10/91/90/563109190.db2.gz	YIXBPIQPOZUWCG-QFIPXVFZSA-N	-1	0	435.524	3.737	1	0		IHAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3ccccc3n2C1)S(=O)(=O)c1ccc(Cl)s1	ZINC000066105118	563158752	/nfs/dbraw/zinc/15/87/52/563158752.db2.gz	UVDYNJXUCJCCQN-GFCCVEGCSA-N	-1	0	438.958	3.619	1	0		IHAFRM
O=C(Nc1ccc(N2CCOCC2)nc1)c1nnc([N-]c2cccc(-c3ccccc3)c2)o1	ZINC000084690519	563176460	/nfs/dbraw/zinc/17/64/60/563176460.db2.gz	UMAVGOMCHHAWKO-UHFFFAOYSA-N	-1	0	442.479	3.964	1	0		IHAFRM
CS(=O)(=O)Nc1cccc2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)[n-]c12	ZINC000095592293	563190579	/nfs/dbraw/zinc/19/05/79/563190579.db2.gz	ITLMSZSOUJAONU-UHFFFAOYSA-N	-1	0	425.388	3.583	1	0		IHAFRM
COc1cc2nc(Sc3ncccc3C(=O)[O-])n(Cc3ccccc3)c(=O)c2cc1OC	ZINC000096258064	563196503	/nfs/dbraw/zinc/19/65/03/563196503.db2.gz	XLJUZWPRKSZJRJ-UHFFFAOYSA-N	-1	0	449.488	3.706	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)c1C	ZINC000003210660	562932816	/nfs/dbraw/zinc/93/28/16/562932816.db2.gz	ONQXHIBRMITEES-UHFFFAOYSA-N	-1	0	443.378	3.901	3	0		IHAFRM
C/C=C\[C@H](CC(=O)[O-])CN1CCC2=C(C1)[C@H](S(=O)(=O)C(F)(F)F)c1ccccc12	ZINC000005923642	562945361	/nfs/dbraw/zinc/94/53/61/562945361.db2.gz	NYLYHAJBSAZDTF-REZDTGBDSA-N	-1	0	429.460	3.802	1	0		IHAFRM
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)CC2CCCCC2)C3)cc1C	ZINC000013446752	562987047	/nfs/dbraw/zinc/98/70/47/562987047.db2.gz	ACSYXDJWJGGFSE-NRFANRHFSA-N	-1	0	425.529	3.557	1	0		IHAFRM
Cc1cn(-c2cccc(Oc3cc(C(=O)[O-])cc(Oc4cc(C(N)=[NH2+])ccc4[O-])n3)c2)cn1	ZINC000013474069	562988651	/nfs/dbraw/zinc/98/86/51/562988651.db2.gz	LMYRFALJJDTPPD-UHFFFAOYSA-N	-1	0	445.435	3.848	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cnc2ccccc2c1	ZINC000013589854	562996488	/nfs/dbraw/zinc/99/64/88/562996488.db2.gz	QFKUSQAZTJARJC-HSZRJFAPSA-N	-1	0	439.471	3.913	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccnc2ccccc21	ZINC000013589857	562996495	/nfs/dbraw/zinc/99/64/95/562996495.db2.gz	RHAOYCYQCFWYGZ-QHCPKHFHSA-N	-1	0	439.471	3.913	1	0		IHAFRM
C[C@H]1Sc2c(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(c5ccccc5)CC4)cc3n21	ZINC000027524399	563043108	/nfs/dbraw/zinc/04/31/08/563043108.db2.gz	PHZYBBALVYJRIB-CYBMUJFWSA-N	-1	0	425.485	3.790	1	0		IHAFRM
CN1C(C(=O)Nc2nccs2)=C([O-])c2sc3cc(Cl)ccc3c2S1(=O)=O	ZINC000028087395	563050196	/nfs/dbraw/zinc/05/01/96/563050196.db2.gz	BKVVCRYJMGROCO-UHFFFAOYSA-N	-1	0	427.916	3.511	1	0		IHAFRM
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1C(=O)[O-]	ZINC000028821512	563065294	/nfs/dbraw/zinc/06/52/94/563065294.db2.gz	MNFOTYUAQGGSMJ-LSDHHAIUSA-N	-1	0	434.895	3.678	1	0		IHAFRM
CC(=O)Nc1nc2ccc(-c3ccnc([N-]S(=O)(=O)c4ccccc4F)n3)cc2s1	ZINC000071296694	563161826	/nfs/dbraw/zinc/16/18/26/563161826.db2.gz	GAZUMBXPTNFZDE-UHFFFAOYSA-N	-1	0	443.485	3.652	1	0		IHAFRM
Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)NCc3ccccc3)cnn2-c2ccccc2)cc1	ZINC000073162314	563169499	/nfs/dbraw/zinc/16/94/99/563169499.db2.gz	SRQAUOYUAKGJIN-UHFFFAOYSA-N	-1	0	446.532	3.912	1	0		IHAFRM
COc1ccc(-c2ccc(OC)c(OC)c2OC)c2c1C(=O)C[C@@H]2[N-]C(=O)C(F)(F)F	ZINC000084635145	563174755	/nfs/dbraw/zinc/17/47/55/563174755.db2.gz	AHSWGDYQTMNWRW-LBPRGKRZSA-N	-1	0	439.386	3.694	1	0		IHAFRM
COc1ccc(C[C@H](OC(=O)/C=C/c2ccc(Br)cc2)C(=O)[O-])cc1OC	ZINC000095589735	563189717	/nfs/dbraw/zinc/18/97/17/563189717.db2.gz	GZKPJZFKIWLJHP-OPUMOTSWSA-N	-1	0	435.270	3.719	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1	ZINC000013476855	562989087	/nfs/dbraw/zinc/98/90/87/562989087.db2.gz	GXZXQTARIHFJCZ-JOCHJYFZSA-N	-1	0	427.460	3.846	1	0	in-vivo	IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2c([nH]1)CCCC2	ZINC000013589874	562996554	/nfs/dbraw/zinc/99/65/54/562996554.db2.gz	OUJJMSXELFZLCE-JOCHJYFZSA-N	-1	0	431.492	3.572	1	0		IHAFRM
CCc1c(CC(N)=O)c2cc(SCCC[P@@](=O)([O-])O)ccc2n1Cc1ccccc1	ZINC000013605129	562997144	/nfs/dbraw/zinc/99/71/44/562997144.db2.gz	QPCLHFSBZOESTI-UHFFFAOYSA-N	-1	0	446.509	3.940	1	0		IHAFRM
O=C([O-])CCCCCC[C@@H]1[C@@H](CC[C@H](O)CSc2cccc(F)c2)[C@H](O)C[C@@H]1O	ZINC000013805732	563008418	/nfs/dbraw/zinc/00/84/18/563008418.db2.gz	YTZPMGSDIYCPCW-KTIPNOMGSA-N	-1	0	428.566	3.842	1	0		IHAFRM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2cccc(Cl)c2)[C@H](O)CC[C@@H]1O	ZINC000013813149	563008992	/nfs/dbraw/zinc/00/89/92/563008992.db2.gz	ARRQNTXIXMFWIK-PBTSFOCYSA-N	-1	0	438.948	3.585	1	0		IHAFRM
CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)cnc1C(=O)[O-]	ZINC000013832807	563011524	/nfs/dbraw/zinc/01/15/24/563011524.db2.gz	SLKJCCXPVCHJER-UHFFFAOYSA-N	-1	0	429.484	3.747	1	0		IHAFRM
COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C(=O)[O-])cc32)cc1Cl	ZINC000013834386	563011987	/nfs/dbraw/zinc/01/19/87/563011987.db2.gz	XHWKQKJBVUTRNQ-UHFFFAOYSA-N	-1	0	442.903	3.563	1	0		IHAFRM
O=C1C[C@@H](c2ccccc2Cl)C2(C(=O)[N-]C(=O)NC2=O)[C@@H](c2ccccc2Cl)C1	ZINC000018269940	563022313	/nfs/dbraw/zinc/02/23/13/563022313.db2.gz	IJIHYAYVEBCUAM-GASCZTMLSA-N	-1	0	431.275	3.576	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(OC)cc2)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027211369	563041014	/nfs/dbraw/zinc/04/10/14/563041014.db2.gz	KZOWFNVOEAYSEM-OAQYLSRUSA-N	-1	0	426.469	3.657	1	0		IHAFRM
Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000029545308	563081666	/nfs/dbraw/zinc/08/16/66/563081666.db2.gz	CTMRDDSJASQOHX-IBGZPJMESA-N	-1	0	435.505	3.750	1	0		IHAFRM
CC1=C2[C@H](C[C@H]1c1ccoc1)O[C@@H]1[C@H](O)[C@H]3C(C)=CCC(=O)[C@]3(C)[C@H](CC(=O)[O-])[C@]21C	ZINC000032011148	563083935	/nfs/dbraw/zinc/08/39/35/563083935.db2.gz	WLPQYBOZJVUQFL-XVMKHKRPSA-N	-1	0	426.509	3.864	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1	ZINC000040395222	563100695	/nfs/dbraw/zinc/10/06/95/563100695.db2.gz	RKRFSLGRJVQJPW-QFIPXVFZSA-N	-1	0	443.459	3.552	1	0		IHAFRM
COc1ccc(Cn2cc(/C=C3\NC(=O)[N-]C3=O)c3cc(Br)ccc32)cc1	ZINC000045391684	563134070	/nfs/dbraw/zinc/13/40/70/563134070.db2.gz	UFDCPHTXWUBADS-IUXPMGMMSA-N	-1	0	426.270	3.641	1	0		IHAFRM
CN(C(=O)[C@@]1(c2ccc(F)cc2)CC1(C)C)[C@@H]1CCc2c(CC(=O)[O-])c3cccnc3n2C1	ZINC000066252112	563160079	/nfs/dbraw/zinc/16/00/79/563160079.db2.gz	UILSBGCHDOPRQV-DWXRJYCRSA-N	-1	0	449.526	3.944	1	0		IHAFRM
C[C@H](N[C@H](c1cccc2[nH]c(=O)c(=O)[nH]c21)[P@@](=O)([O-])O)c1cccc2ccccc21	ZINC000013440527	562986201	/nfs/dbraw/zinc/98/62/01/562986201.db2.gz	LYKXCFZRVHBZJS-QKVFXAPYSA-N	-1	0	425.381	3.721	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccc2ccccc2n1	ZINC000013589852	562996475	/nfs/dbraw/zinc/99/64/75/562996475.db2.gz	CKFDUCQHQHMDFW-HSZRJFAPSA-N	-1	0	439.471	3.913	1	0		IHAFRM
O=C([O-])C[C@@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2cc(Cl)ccc21	ZINC000013601245	562996760	/nfs/dbraw/zinc/99/67/60/562996760.db2.gz	APPWQZVIWAQIHA-AWEZNQCLSA-N	-1	0	440.652	3.983	1	0		IHAFRM
CCN1c2ncc(CCOc3ccc(CC(=O)[O-])cc3C)cc2C(=O)N(C)c2cccnc21	ZINC000013671798	562999894	/nfs/dbraw/zinc/99/98/94/562999894.db2.gz	YSFAVCPHKVFXBC-UHFFFAOYSA-N	-1	0	446.507	3.782	1	0		IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nccnc1C(=O)[O-]	ZINC000013832808	563011484	/nfs/dbraw/zinc/01/14/84/563011484.db2.gz	ZJAVHMSXOMUSMC-UHFFFAOYSA-N	-1	0	429.484	3.829	1	0		IHAFRM
COc1ccc([C@@H]2c3nc(CCCO)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)[O-])cc1	ZINC000013859857	563012355	/nfs/dbraw/zinc/01/23/55/563012355.db2.gz	JOMWRKGBRATICM-KMDXXIMOSA-N	-1	0	447.487	3.722	1	0		IHAFRM
Cc1cc2nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)n2n1	ZINC000013889353	563013791	/nfs/dbraw/zinc/01/37/91/563013791.db2.gz	CGLXNVQUOCKSHG-RKQNLGICSA-N	-1	0	427.476	3.567	1	0		IHAFRM
COc1cc([C@H]2Oc3cc(-c4cc(=O)c5ccc([O-])cc5o4)ccc3O[C@@H]2CO)ccc1O	ZINC000026653665	563034710	/nfs/dbraw/zinc/03/47/10/563034710.db2.gz	VZSMOFOYMTXSOR-JWQCQUIFSA-N	-1	0	448.427	3.753	1	0		IHAFRM
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCC(=O)[O-])n1	ZINC000028463394	563055161	/nfs/dbraw/zinc/05/51/61/563055161.db2.gz	XEXXDOAZYRMIKT-UHFFFAOYSA-N	-1	0	428.485	3.506	1	0		IHAFRM
NC(=O)/C=C/c1ccc(NC(=O)/C=C2\C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040488557	563104082	/nfs/dbraw/zinc/10/40/82/563104082.db2.gz	HVJBIJGJCDCLAM-BPVZJWIUSA-N	-1	0	446.290	3.783	1	0		IHAFRM
O=C([O-])c1ccc(CN2CCN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1	ZINC000040935097	563112536	/nfs/dbraw/zinc/11/25/36/563112536.db2.gz	YAGWGHUBZRLUNH-UHFFFAOYSA-N	-1	0	445.519	3.933	1	0		IHAFRM
CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)CC2CCCCC2)cc1	ZINC000061904573	563148183	/nfs/dbraw/zinc/14/81/83/563148183.db2.gz	WTCASRNLDALODG-HSZRJFAPSA-N	-1	0	434.602	3.750	3	0		IHAFRM
COc1ccc(/C=C(/C(=O)N2CCCC[C@@H]2C(=O)[O-])c2ccc(OC)c(OC)c2)cc1	ZINC000061948165	563151555	/nfs/dbraw/zinc/15/15/55/563151555.db2.gz	LBNLJLZQQBTZFV-IAERKFLBSA-N	-1	0	425.481	3.719	3	0		IHAFRM
O=C(/C=C/c1ccc(Br)cc1)[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000072106376	563163050	/nfs/dbraw/zinc/16/30/50/563163050.db2.gz	FEGPGYGMGFMUJG-XCVCLJGOSA-N	-1	0	445.132	3.730	1	0		IHAFRM
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCc3ccncc3)cc2)cc1)C(=O)[O-]	ZINC000073140121	563168857	/nfs/dbraw/zinc/16/88/57/563168857.db2.gz	QVVGWBKEGGOLSP-JOCHJYFZSA-N	-1	0	440.521	3.715	1	0		IHAFRM
CCC(CC)NC(=O)c1ncn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073159129	563169311	/nfs/dbraw/zinc/16/93/11/563169311.db2.gz	PGVDOQBTJPQKAP-UHFFFAOYSA-N	-1	0	426.542	3.900	1	0		IHAFRM
O=C([N-]N1CC(=O)N(Cc2cccnc2)C1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000095578480	563186774	/nfs/dbraw/zinc/18/67/74/563186774.db2.gz	UYNCSNDHLZYQLE-UHFFFAOYSA-N	-1	0	445.262	3.758	1	0		IHAFRM
CC(=O)CCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358419	132340846	/nfs/dbraw/zinc/34/08/46/132340846.db2.gz	ZEOKLXBICHLQJB-QFIPXVFZSA-N	-1	0	425.481	3.636	1	0		IHAFRM
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12	ZINC000001540046	562922643	/nfs/dbraw/zinc/92/26/43/562922643.db2.gz	LMEUGHUVZLECBH-UHFFFAOYSA-N	-1	0	445.313	3.724	1	0		IHAFRM
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1	ZINC000006005270	562945747	/nfs/dbraw/zinc/94/57/47/562945747.db2.gz	CSXXRAMOLIGYIL-LNLFQRSKSA-N	-1	0	448.560	3.669	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12	ZINC000013476864	562989060	/nfs/dbraw/zinc/98/90/60/562989060.db2.gz	ZRBOJMGBJYJHBW-QHCPKHFHSA-N	-1	0	441.487	3.775	1	0		IHAFRM
COc1cc(OC)nc(O[C@@H](C(=O)[O-])C(OC)(c2cccc(C)c2)c2cccc(C)c2)n1	ZINC000013756039	563004353	/nfs/dbraw/zinc/00/43/53/563004353.db2.gz	ZPGGGSYEPLVKGB-NRFANRHFSA-N	-1	0	438.480	3.533	1	0		IHAFRM
Cc1nn(CC(F)(F)F)c(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c1C(=O)[O-]	ZINC000013760990	563004979	/nfs/dbraw/zinc/00/49/79/563004979.db2.gz	VVBSIPJTMWPGIV-UHFFFAOYSA-N	-1	0	442.401	3.890	1	0		IHAFRM
C[C@]1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@H]32)COc2ccccc2O1	ZINC000026144196	563028795	/nfs/dbraw/zinc/02/87/95/563028795.db2.gz	DZWSDKBRCMMABG-FYEZDYOISA-N	-1	0	428.525	3.722	1	0		IHAFRM
CC(=O)SC[C@H](Cc1ccccc1)C(=O)N[C@H](CSCc1ccc(C)cc1)C(=O)[O-]	ZINC000026500236	563032723	/nfs/dbraw/zinc/03/27/23/563032723.db2.gz	DDDMGEMGXWFSDP-LEWJYISDSA-N	-1	0	445.606	3.936	1	0		IHAFRM
Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@@H](C)C(=O)[O-])CCCC3)cc2)c1	ZINC000028218883	563051656	/nfs/dbraw/zinc/05/16/56/563051656.db2.gz	YUFDFDFJTUYXNJ-SFHVURJKSA-N	-1	0	438.524	3.766	1	0		IHAFRM
Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)N[C@H](C)C(=O)[O-])CCCC3)cc2)c1	ZINC000028218888	563051660	/nfs/dbraw/zinc/05/16/60/563051660.db2.gz	YUFDFDFJTUYXNJ-GOSISDBHSA-N	-1	0	438.524	3.766	1	0		IHAFRM
Cn1cc(C(=O)[O-])c(=O)c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21	ZINC000028643787	563060648	/nfs/dbraw/zinc/06/06/48/563060648.db2.gz	XPAKBFNFPLHXTD-UHFFFAOYSA-N	-1	0	431.414	3.582	1	0		IHAFRM
CC1=C2[C@H](C[C@H]1c1ccoc1)O[C@@H]1[C@H](O)[C@H]3C(C)=CCC(=O)[C@]3(C)[C@@H](CC(=O)[O-])[C@]21C	ZINC000032011147	563083933	/nfs/dbraw/zinc/08/39/33/563083933.db2.gz	WLPQYBOZJVUQFL-HOQKQFMPSA-N	-1	0	426.509	3.864	1	0		IHAFRM
COc1ccc(OC)c(Nc2nc3ncccc3nc2[N-]S(=O)(=O)c2ccccc2)c1	ZINC000034891447	563088458	/nfs/dbraw/zinc/08/84/58/563088458.db2.gz	ITRHLKLNBDQTNL-UHFFFAOYSA-N	-1	0	437.481	3.586	1	0		IHAFRM
Cc1nc(-c2ccc(N)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)[O-])cc1	ZINC000038151294	563096577	/nfs/dbraw/zinc/09/65/77/563096577.db2.gz	DPCYQMIKQCAHLO-UHFFFAOYSA-N	-1	0	425.510	3.873	1	0		IHAFRM
NC(=O)c1cnc(NCCc2cc(Cl)c([O-])c(Cl)c2)nc1NCc1ccccc1	ZINC000040874065	563109278	/nfs/dbraw/zinc/10/92/78/563109278.db2.gz	XMLMYYOGDSMUCF-UHFFFAOYSA-N	-1	0	432.311	3.855	1	0		IHAFRM
COc1ccc(-c2oc3c4c(cc(=O)c-3c([O-])c2OS(C)(=O)=O)OC(C)(C)CC4)cc1	ZINC000043077928	563118403	/nfs/dbraw/zinc/11/84/03/563118403.db2.gz	LLMXWIOHNWRODC-UHFFFAOYSA-N	-1	0	446.477	3.616	1	0		IHAFRM
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)C3(C)CCCCC3)C(=O)[O-])cc2)n1	ZINC000084758882	563179755	/nfs/dbraw/zinc/17/97/55/563179755.db2.gz	XOCIVSKNARLKGI-NRFANRHFSA-N	-1	0	439.556	3.827	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccccc2)c1Br	ZINC000001540810	562922674	/nfs/dbraw/zinc/92/26/74/562922674.db2.gz	MEXIZICSHQFANT-UHFFFAOYSA-N	-1	0	442.316	3.860	1	0		IHAFRM
COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(I)cc1	ZINC000002047442	562925702	/nfs/dbraw/zinc/92/57/02/562925702.db2.gz	CXBFZYKAVCAPSV-UHFFFAOYSA-N	-1	0	449.244	3.879	1	0	in-vivo	IHAFRM
NC(=[NH2+])c1ccc([O-])c(Oc2cc(C(=O)[O-])cc(Oc3cccc(-n4ccnc4)c3)n2)c1	ZINC000013474067	562988667	/nfs/dbraw/zinc/98/86/67/562988667.db2.gz	KUPOJJBTUCGDJK-UHFFFAOYSA-N	-1	0	431.408	3.540	1	0		IHAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12	ZINC000013476863	562989036	/nfs/dbraw/zinc/98/90/36/562989036.db2.gz	ZRBOJMGBJYJHBW-HSZRJFAPSA-N	-1	0	441.487	3.775	1	0		IHAFRM
CC[C@@H](C)c1ccc(N2CCN(CCn3c([O-])nc4c5ccccc5[nH]c4c3=O)CC2)cc1	ZINC000013523140	562991442	/nfs/dbraw/zinc/99/14/42/562991442.db2.gz	KLNIHTYXOOSMBC-GOSISDBHSA-N	-1	0	445.567	3.919	1	0		IHAFRM
CC(=O)[N-]S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)c(F)c1	ZINC000013526721	562991738	/nfs/dbraw/zinc/99/17/38/562991738.db2.gz	COBMDKQSHHIOLV-UHFFFAOYSA-N	-1	0	445.369	3.661	1	0		IHAFRM
O=C([O-])C[C@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccc(Cl)cc21	ZINC000013601242	562996754	/nfs/dbraw/zinc/99/67/54/562996754.db2.gz	DRWRXTVRANFWAQ-CQSZACIVSA-N	-1	0	440.652	3.983	1	0		IHAFRM
C[C@@](CCCCn1cnc2c1NC=NC[C@@H]2O)(Cc1cccc(Br)c1)C(=O)[O-]	ZINC000013807365	563008615	/nfs/dbraw/zinc/00/86/15/563008615.db2.gz	WJETXDWIILBXCI-OXJNMPFZSA-N	-1	0	449.349	3.637	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C)OCO3)c1C	ZINC000013815848	563009287	/nfs/dbraw/zinc/00/92/87/563009287.db2.gz	ZKAHRYLIFLDFJH-UHFFFAOYSA-N	-1	0	434.495	3.616	1	0		IHAFRM
Cc1cc(Cl)cc(CCCOc2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000013824692	563010454	/nfs/dbraw/zinc/01/04/54/563010454.db2.gz	HOJUELIUZSUFTD-MOPGFXCFSA-N	-1	0	440.895	3.765	1	0		IHAFRM
COCc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013832273	563011322	/nfs/dbraw/zinc/01/13/22/563011322.db2.gz	ZILJZMILJUAOOD-UHFFFAOYSA-N	-1	0	440.463	3.776	1	0		IHAFRM
COc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013832280	563011349	/nfs/dbraw/zinc/01/13/49/563011349.db2.gz	GGMUVWGZVYLWFZ-UHFFFAOYSA-N	-1	0	426.436	3.639	1	0		IHAFRM
Cc1nn(C)c2nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12	ZINC000013888046	563013752	/nfs/dbraw/zinc/01/37/52/563013752.db2.gz	FYENHNKSVBRMDE-AQRBRUGDSA-N	-1	0	439.487	3.560	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(C)=O)cc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027208276	563040895	/nfs/dbraw/zinc/04/08/95/563040895.db2.gz	IMZHWOPYRVEOPB-QFIPXVFZSA-N	-1	0	438.480	3.851	1	0		IHAFRM
C[C@H]1CCc2c(N3CCC(OC(=O)C(C)(C)C)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000028468772	563055322	/nfs/dbraw/zinc/05/53/22/563055322.db2.gz	LCIPCDFXTLRRKZ-ZDUSSCGKSA-N	-1	0	444.503	3.904	1	0		IHAFRM
CCCCc1nc(Cl)c(COC)n1Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1	ZINC000028761178	563063780	/nfs/dbraw/zinc/06/37/80/563063780.db2.gz	YRVSTXOCNVZKRF-KRWDZBQOSA-N	-1	0	433.936	3.763	1	0		IHAFRM
COc1ccc2c(c1)c1oc(C(=O)Nc3nnn[n-]3)c(OC(C)C)c1n2-c1ccccc1	ZINC000029393597	563079080	/nfs/dbraw/zinc/07/90/80/563079080.db2.gz	DKEAZWZWBWVRHL-UHFFFAOYSA-N	-1	0	432.440	3.938	1	0		IHAFRM
COc1ccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)[O-])CCCO4)nc3)c(C)o2)cc1	ZINC000034717793	563087016	/nfs/dbraw/zinc/08/70/16/563087016.db2.gz	YYRRZFCGMQUACY-XMMPIXPASA-N	-1	0	438.480	3.851	1	0		IHAFRM
Cc1cc(-n2ncc(=O)[n-]c2=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1	ZINC000038450405	563097797	/nfs/dbraw/zinc/09/77/97/563097797.db2.gz	HQXKNHQWCAXRDN-UHFFFAOYSA-N	-1	0	433.439	3.765	1	0		IHAFRM
COc1cccc2c1CC[C@@H]2[C@@H](CS)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000058528579	563143985	/nfs/dbraw/zinc/14/39/85/563143985.db2.gz	JOJZGTGQZIECLV-FBBABVLZSA-N	-1	0	438.549	3.564	1	0		IHAFRM
O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000064526759	563154438	/nfs/dbraw/zinc/15/44/38/563154438.db2.gz	UFOBKWXDTLFVDC-UHFFFAOYSA-N	-1	0	443.488	3.577	1	0		IHAFRM
CC(C)(C)[C@@H](CO)n1cc(C(=O)[O-])c(=O)c2cc(Cc3cccc(Cl)c3F)c(=O)[nH]c21	ZINC000066101851	563158367	/nfs/dbraw/zinc/15/83/67/563158367.db2.gz	BQWBCFPRPQVLIK-MRXNPFEDSA-N	-1	0	448.878	3.763	1	0		IHAFRM
COc1nc(Cc2cccc(Cl)c2F)cc2c(=O)c(C(=O)[O-])cn([C@H](CO)C(C)C)c21	ZINC000066156534	563159588	/nfs/dbraw/zinc/15/95/88/563159588.db2.gz	NLZGYEQSWILECH-QGZVFWFLSA-N	-1	0	448.878	3.676	1	0		IHAFRM
CCC(=O)OCC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nc(C)cc(C)n1)C(=O)[O-]	ZINC000072172210	563165025	/nfs/dbraw/zinc/16/50/25/563165025.db2.gz	VZBDBHKWCMDRDL-QFIPXVFZSA-N	-1	0	434.492	3.865	1	0		IHAFRM
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)[C@@H]3CCCC[C@H]3C)C(=O)[O-])cc2)n1	ZINC000084758880	563179732	/nfs/dbraw/zinc/17/97/32/563179732.db2.gz	CDROWTZQLMBXDQ-YHYVQYDKSA-N	-1	0	439.556	3.683	1	0		IHAFRM
COc1ccc(C[C@@H](OC(=O)/C=C/c2ccc(Br)cc2)C(=O)[O-])cc1OC	ZINC000095589736	563189707	/nfs/dbraw/zinc/18/97/07/563189707.db2.gz	GZKPJZFKIWLJHP-WGLAMXGCSA-N	-1	0	435.270	3.719	1	0		IHAFRM
COC(=O)c1sc(=NC(=O)OCc2ccccc2)[n-]c1CCNC(=O)OC(C)(C)C	ZINC000095599036	563192313	/nfs/dbraw/zinc/19/23/13/563192313.db2.gz	MMQIETAQXDHXPN-UHFFFAOYSA-N	-1	0	435.502	3.746	3	0		IHAFRM
Cc1c(Cc2ccncc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000096173328	563195884	/nfs/dbraw/zinc/19/58/84/563195884.db2.gz	KYUFJYQBFIKRME-UHFFFAOYSA-N	-1	0	438.480	3.992	1	0		IHAFRM
CC(=O)c1c(-c2ccccc2)nn(CC(=O)[O-])c(=O)c1Nc1ccc(Br)cc1	ZINC000012343982	562981259	/nfs/dbraw/zinc/98/12/59/562981259.db2.gz	WKHUGFWFCSJFGP-UHFFFAOYSA-N	-1	0	442.269	3.704	1	0		IHAFRM
Cc1nc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cn1CCC(=O)[O-]	ZINC000013474615	562988745	/nfs/dbraw/zinc/98/87/45/562988745.db2.gz	XUNPTUWEFIQTRL-UHFFFAOYSA-N	-1	0	435.484	3.800	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cnc2ccccc2c1	ZINC000013589855	562996497	/nfs/dbraw/zinc/99/64/97/562996497.db2.gz	QFKUSQAZTJARJC-QHCPKHFHSA-N	-1	0	439.471	3.913	1	0		IHAFRM
O=C([O-])CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCn1ccnc1	ZINC000013730378	563001717	/nfs/dbraw/zinc/00/17/17/563001717.db2.gz	NTOVDNVGWCTIPQ-MRXNPFEDSA-N	-1	0	427.954	3.556	1	0		IHAFRM
CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)c1nccc(-c2ccccc2)n1	ZINC000027315680	563041435	/nfs/dbraw/zinc/04/14/35/563041435.db2.gz	MJIJCXZORNHSKX-HXUWFJFHSA-N	-1	0	434.521	3.553	1	0		IHAFRM
CC(C)c1nc(-c2sc(Br)c(Br)c2OCC(=O)[O-])no1	ZINC000028886993	563068159	/nfs/dbraw/zinc/06/81/59/563068159.db2.gz	YQNMROSIJKMNIN-UHFFFAOYSA-N	-1	0	426.086	3.910	1	0		IHAFRM
Cc1oc(-c2ccccc2)nc1CC(=O)N(C)c1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000029545311	563081633	/nfs/dbraw/zinc/08/16/33/563081633.db2.gz	CTMRDDSJASQOHX-LJQANCHMSA-N	-1	0	435.505	3.750	1	0		IHAFRM
COc1ccc(-c2nc(CCOc3ccc(C[C@@]4(C(=O)[O-])CCCO4)cn3)c(C)o2)cc1	ZINC000034717803	563087013	/nfs/dbraw/zinc/08/70/13/563087013.db2.gz	HEIQVRRGXSCNIH-XMMPIXPASA-N	-1	0	438.480	3.851	1	0		IHAFRM
COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)[O-])c4)c3n2)cc(OC)c1OC	ZINC000036348744	563093037	/nfs/dbraw/zinc/09/30/37/563093037.db2.gz	LENHZWFKVRVLIQ-UHFFFAOYSA-N	-1	0	434.452	3.817	1	0		IHAFRM
O=C([O-])c1ccc2c(c1)nc(NCCN1CCOCC1)n2Cc1ccccc1C(F)(F)F	ZINC000043014460	563116733	/nfs/dbraw/zinc/11/67/33/563116733.db2.gz	MHBGCUBZCUWUDL-UHFFFAOYSA-N	-1	0	448.445	3.546	1	0		IHAFRM
O=C([O-])c1ccc(-c2noc(C3CCN(C(=O)N[C@H]4C[C@H]4c4ccccc4)CC3)n2)cc1	ZINC000043078663	563118453	/nfs/dbraw/zinc/11/84/53/563118453.db2.gz	ACXQPBJHXILGLA-PMACEKPBSA-N	-1	0	432.480	3.880	1	0		IHAFRM
Cc1c(Cc2cccnc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)[O-]	ZINC000043206325	563119657	/nfs/dbraw/zinc/11/96/57/563119657.db2.gz	HKWZIRZRRMVZLR-UHFFFAOYSA-N	-1	0	438.480	3.992	1	0		IHAFRM
[O-]C(c1cnc(N2CCC(O)(c3ccccc3)CC2)s1)(C(F)(F)F)C(F)(F)F	ZINC000064539822	563155163	/nfs/dbraw/zinc/15/51/63/563155163.db2.gz	BGTZDKRXIPEXDQ-UHFFFAOYSA-N	-1	0	426.382	3.943	1	0		IHAFRM
CCC[C@@H](CO)n1cc(C(=O)[O-])c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)nc21	ZINC000066101104	563158283	/nfs/dbraw/zinc/15/82/83/563158283.db2.gz	WHXJTXTXLGGELV-AWEZNQCLSA-N	-1	0	448.878	3.820	1	0		IHAFRM
COc1nc2c(cc1Nc1cccc(Cl)c1F)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066102632	563158585	/nfs/dbraw/zinc/15/85/85/563158585.db2.gz	GCFRTWRYPTZNKK-MRXNPFEDSA-N	-1	0	449.866	3.829	1	0		IHAFRM
COc1ccc(CC(=O)[O-])cc1C1=NCC(=O)N(Cc2ccc(F)cc2)c2ccccc21	ZINC000084616137	563174388	/nfs/dbraw/zinc/17/43/88/563174388.db2.gz	AUMFSVOAGVFNOW-UHFFFAOYSA-N	-1	0	432.451	3.846	1	0		IHAFRM
CNc1cccc(CCOc2ccc(C[C@H](NC(=O)[C@@H]3CCCC[C@@H]3C)C(=O)[O-])cc2)n1	ZINC000084758881	563179749	/nfs/dbraw/zinc/17/97/49/563179749.db2.gz	CDROWTZQLMBXDQ-WTOYTKOKSA-N	-1	0	439.556	3.683	1	0		IHAFRM
CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc2c1O[C@@H](C(C)(C)O)[C@H]2O	ZINC000013379151	291365275	/nfs/dbraw/zinc/36/52/75/291365275.db2.gz	JYVMICVJPDSGOZ-LADGPHEKSA-N	-1	0	438.476	3.945	1	0	biogenic,in-vitro	IHAFRM
O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCCO)C1=O	ZINC000012358412	562981738	/nfs/dbraw/zinc/98/17/38/562981738.db2.gz	UPYPBDPTACIYLQ-HSZRJFAPSA-N	-1	0	441.524	3.820	1	0		IHAFRM
NC(=O)Cc1c2cc(OCCC[P@@](=O)([O-])O)ccc2n(Cc2ccccc2)c1C1CC1	ZINC000013445969	562986968	/nfs/dbraw/zinc/98/69/68/562986968.db2.gz	MAYQVXCEHNKYHR-UHFFFAOYSA-N	-1	0	442.452	3.541	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nccc2ccccc21	ZINC000013589859	562996560	/nfs/dbraw/zinc/99/65/60/562996560.db2.gz	GCNYQSFKRKWGIK-QFIPXVFZSA-N	-1	0	439.471	3.913	1	0		IHAFRM
CCCCNC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1	ZINC000013746863	563004051	/nfs/dbraw/zinc/00/40/51/563004051.db2.gz	QWQOEECLOBTCEN-YUXAGFNASA-N	-1	0	440.496	3.775	1	0		IHAFRM
CCOc1cc(OCC)nc(O[C@H](C(=O)[O-])C(OC)(c2ccccc2)c2ccccc2)n1	ZINC000013756058	563004345	/nfs/dbraw/zinc/00/43/45/563004345.db2.gz	OBYHMQLIVICHBK-OAQYLSRUSA-N	-1	0	438.480	3.696	1	0		IHAFRM
CCOc1cc(OCC)nc(O[C@@H](C(=O)[O-])C(OC)(c2ccccc2)c2ccccc2)n1	ZINC000013756056	563004404	/nfs/dbraw/zinc/00/44/04/563004404.db2.gz	OBYHMQLIVICHBK-NRFANRHFSA-N	-1	0	438.480	3.696	1	0		IHAFRM
CC(C)C[C@H](NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)[O-]	ZINC000013803846	563008104	/nfs/dbraw/zinc/00/81/04/563008104.db2.gz	QVNUOLHHXUUNEH-KRWDZBQOSA-N	-1	0	426.332	3.894	1	0		IHAFRM
O=C([O-])Cc1nn(CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12	ZINC000013860808	563012610	/nfs/dbraw/zinc/01/26/10/563012610.db2.gz	YBUWYRSREGITDI-UHFFFAOYSA-N	-1	0	433.411	3.895	1	0		IHAFRM
O=C([O-])CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)C[C@@H]3COc4ccccc4O3)[C@@H]2C1	ZINC000026146686	563028912	/nfs/dbraw/zinc/02/89/12/563028912.db2.gz	WLDPJEVWPSJSAO-AVPCHUMISA-N	-1	0	428.525	3.722	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc(OC)c(C)c2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027207934	563040881	/nfs/dbraw/zinc/04/08/81/563040881.db2.gz	PCDDSTJWDASXOH-QFIPXVFZSA-N	-1	0	440.496	3.965	1	0		IHAFRM
CCC1(CC)C(=O)N(C(=O)NCCC(=O)c2ccccc2)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027209402	563040991	/nfs/dbraw/zinc/04/09/91/563040991.db2.gz	BGBSFMIFSDDFPQ-QFIPXVFZSA-N	-1	0	438.480	3.721	1	0		IHAFRM
COc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1C[C@@H]1SC(=O)[N-]C1=O	ZINC000027629455	563044746	/nfs/dbraw/zinc/04/47/46/563044746.db2.gz	HFTLJJGLBXMZDO-INIZCTEOSA-N	-1	0	438.427	3.538	1	0		IHAFRM
CCCCCOc1cccc(C=CC(=O)Nc2cccc3c2O[C@H](c2nnn[n-]2)CO3)c1	ZINC000028005834	563049450	/nfs/dbraw/zinc/04/94/50/563049450.db2.gz	FLVULROWBMBEMN-SGWGQVFISA-N	-1	0	435.484	3.933	1	0		IHAFRM
CC(C)CCn1c2ccc(C(=O)[O-])cc2nc1Cn1c2ccccc2c(=O)n(C2CC2)c1=O	ZINC000028824464	563066064	/nfs/dbraw/zinc/06/60/64/563066064.db2.gz	WNPRUBLPBDWDLA-UHFFFAOYSA-N	-1	0	446.507	3.640	1	0		IHAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1c(C(=O)[O-])ncn1C	ZINC000029415267	563079970	/nfs/dbraw/zinc/07/99/70/563079970.db2.gz	ZZEWBSUYCIRWEP-UHFFFAOYSA-N	-1	0	431.500	3.772	1	0		IHAFRM
CCCn1c2[nH]c(C34CCC(CCCC(=O)[O-])(CC3)CC4)nc2c(=O)n(CCC)c1=O	ZINC000034047093	563085332	/nfs/dbraw/zinc/08/53/32/563085332.db2.gz	BGGPFCJYYBWGTM-UHFFFAOYSA-N	-1	0	430.549	3.553	1	0		IHAFRM
C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1	ZINC000038254261	563097254	/nfs/dbraw/zinc/09/72/54/563097254.db2.gz	BPFTXGAARBAJDP-QFIPXVFZSA-N	-1	0	442.408	3.911	1	0		IHAFRM
NC(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c([O-])c3ncccc32)cc1	ZINC000040845815	563107418	/nfs/dbraw/zinc/10/74/18/563107418.db2.gz	XYWTYUUYUQJEKQ-UHFFFAOYSA-N	-1	0	441.422	3.881	1	0		IHAFRM
COC(=O)Nc1ccc2sc3cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc3c2c1	ZINC000043080681	563118534	/nfs/dbraw/zinc/11/85/34/563118534.db2.gz	ALKUUIDKRJZTBK-QGZVFWFLSA-N	-1	0	436.511	3.620	1	0		IHAFRM
CC(=O)Nc1ccc(-c2ccc(Cn3cc(C(=O)[O-])c(=O)c4cccc(F)c43)nc2)cc1	ZINC000045338261	563131681	/nfs/dbraw/zinc/13/16/81/563131681.db2.gz	CROBYKNRASMUMQ-UHFFFAOYSA-N	-1	0	431.423	3.908	1	0		IHAFRM
COc1cc([C@@H]2NC(=S)N=C(c3ccc(C)cc3)C2CCC(=O)[O-])cc(OC)c1OC	ZINC000064256515	563152535	/nfs/dbraw/zinc/15/25/35/563152535.db2.gz	OJDOKOVFNGPHHT-NRFANRHFSA-N	-1	0	442.537	3.816	1	0		IHAFRM
Cc1cc(C)nc(O[C@@H](C(=O)[O-])C(COC(=O)N(C)C)(c2ccccc2)c2ccccc2)n1	ZINC000072170667	563164911	/nfs/dbraw/zinc/16/49/11/563164911.db2.gz	PCIQPAJVIYZMIJ-NRFANRHFSA-N	-1	0	449.507	3.610	1	0		IHAFRM
CCOC(=O)[C@H](CCc1ccccc1)S[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000073224864	563171061	/nfs/dbraw/zinc/17/10/61/563171061.db2.gz	QLVPIBHXPCSQDU-TZMRYXNNSA-N	-1	0	447.597	3.917	1	0		IHAFRM
CCCC[P@](=O)([O-])C1=CC[C@H](NC(=O)CCCCNC(=O)c2ccccc2NC)C1	ZINC000095589188	563189599	/nfs/dbraw/zinc/18/95/99/563189599.db2.gz	KXTRHISNZLDHQI-KRWDZBQOSA-N	-1	0	435.505	3.861	1	0		IHAFRM
C[C@@H](NC(=O)Cc1cccc(-c2ccc(S(=O)(=O)CC(=O)[O-])cc2)c1)c1ccccc1	ZINC000003600319	562936750	/nfs/dbraw/zinc/93/67/50/562936750.db2.gz	BTZDSENLZFIOIZ-QGZVFWFLSA-N	-1	0	437.517	3.632	1	0		IHAFRM
CCOc1cc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCC3)s2)ccc1OC	ZINC000012997312	562983823	/nfs/dbraw/zinc/98/38/23/562983823.db2.gz	JFBKPHMEPILSOR-QINSGFPZSA-N	-1	0	437.539	3.565	3	0		IHAFRM
Cn1c(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc2ccccc21	ZINC000013589835	562996492	/nfs/dbraw/zinc/99/64/92/562996492.db2.gz	SWUUZPCEVKXNTQ-OAQYLSRUSA-N	-1	0	441.487	3.856	1	0		IHAFRM
COc1cc(OC)nc(O[C@@H](C(=O)[O-])C(OC)(c2ccc(C)cc2)c2ccc(C)cc2)n1	ZINC000013756030	563004373	/nfs/dbraw/zinc/00/43/73/563004373.db2.gz	WZQLNTRMQXKHIJ-NRFANRHFSA-N	-1	0	438.480	3.533	1	0		IHAFRM
CSCC[C@H](NC(=O)c1ccc(NC(=O)c2ccncc2)cc1-c1ccccc1)C(=O)[O-]	ZINC000013781613	563006620	/nfs/dbraw/zinc/00/66/20/563006620.db2.gz	IVDLTLWVYPLELJ-NRFANRHFSA-N	-1	0	449.532	3.937	1	0		IHAFRM
C[C@@](CCCCn1cnc2c1NC=NC[C@H]2O)(Cc1cccc(Br)c1)C(=O)[O-]	ZINC000013807369	563008599	/nfs/dbraw/zinc/00/85/99/563008599.db2.gz	WJETXDWIILBXCI-OXQOHEQNSA-N	-1	0	449.349	3.637	1	0		IHAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2[C@@H](O)Cc2ccc3c(c2)OCO3)c1Cl	ZINC000013815676	563009328	/nfs/dbraw/zinc/00/93/28/563009328.db2.gz	GGJUDPCTFYBUCN-NSHDSACASA-N	-1	0	442.902	3.504	1	0		IHAFRM
CC(C)c1nc(-c2cccnc2)c(-c2ccc(F)cc2)n1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000013833965	563011897	/nfs/dbraw/zinc/01/18/97/563011897.db2.gz	ALLUALRNIBGJAM-MBUYQLGJSA-N	-1	0	439.487	3.932	1	0	in-vitro	IHAFRM
COc1cc2sc(Cn3nc(CC(=O)[O-])c4ccccc4c3=O)nc2cc1C(F)(F)F	ZINC000013860769	563012624	/nfs/dbraw/zinc/01/26/24/563012624.db2.gz	WOVXLSBTJIJSCI-UHFFFAOYSA-N	-1	0	449.410	3.709	1	0		IHAFRM
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(C(=O)[O-])c4)c3O)cc2c1	ZINC000026385313	563031531	/nfs/dbraw/zinc/03/15/31/563031531.db2.gz	GKBRKFXOZNXQPC-UHFFFAOYSA-N	-1	0	429.432	3.817	1	0		IHAFRM
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)N[C@H](CSCc1ccc(C)cc1)C(=O)[O-]	ZINC000026494486	563032543	/nfs/dbraw/zinc/03/25/43/563032543.db2.gz	DDDMGEMGXWFSDP-NHCUHLMSSA-N	-1	0	445.606	3.936	1	0		IHAFRM
O=C([O-])c1ccc(CN2C(=O)C(=O)c3cc(Br)cc(Br)c32)cc1	ZINC000028711833	563062804	/nfs/dbraw/zinc/06/28/04/563062804.db2.gz	IXOQHPNKGPAXTD-UHFFFAOYSA-N	-1	0	439.059	3.639	1	0		IHAFRM
C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000028878916	563067874	/nfs/dbraw/zinc/06/78/74/563067874.db2.gz	BGFUKOMGYUQAFJ-HNUWJMHESA-N	-1	0	443.382	3.819	1	0		IHAFRM
COc1ccc(NC2CN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3F)C2)cc1	ZINC000028819218	563065093	/nfs/dbraw/zinc/06/50/93/563065093.db2.gz	YHIJSJMQZRXQND-UHFFFAOYSA-N	-1	0	441.434	3.622	1	0		IHAFRM
O=C([O-])[C@H](Cc1ccc(NC(=O)c2ccnc3ccccc32)cc1)NC(=O)C1CCCC1	ZINC000029403647	563079374	/nfs/dbraw/zinc/07/93/74/563079374.db2.gz	UIGQVFBMESKKME-QFIPXVFZSA-N	-1	0	431.492	3.789	1	0		IHAFRM
O=C([O-])c1ccccc1C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000036330664	563092823	/nfs/dbraw/zinc/09/28/23/563092823.db2.gz	YRUOBBDFEGEUAP-UHFFFAOYSA-N	-1	0	439.556	3.505	1	0		IHAFRM
COc1ccc(-c2csc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)n2)cc1	ZINC000040465767	563103881	/nfs/dbraw/zinc/10/38/81/563103881.db2.gz	GUXHGWLTAOJOHK-IBGZPJMESA-N	-1	0	446.550	3.873	1	0		IHAFRM
CCCc1ccc(C(=O)N2[C@H](c3nccs3)[C@H](C(N)=O)C[C@@]2(CC(C)C)C(=O)[O-])cc1	ZINC000045168119	563122592	/nfs/dbraw/zinc/12/25/92/563122592.db2.gz	JBAWXMHSBSNDCS-STSQHVNTSA-N	-1	0	443.569	3.654	1	0		IHAFRM
CC(C)c1c(=O)n([O-])c(=O)n(COCc2cccc(Cl)c2F)c1Cc1ccccc1	ZINC000071329030	563162254	/nfs/dbraw/zinc/16/22/54/563162254.db2.gz	FNVKJUKZYUOHQW-UHFFFAOYSA-N	-1	0	432.879	3.928	1	0		IHAFRM
CC(C)(C)C(=O)N(CC(=O)[O-])C[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1	ZINC000084687953	563175851	/nfs/dbraw/zinc/17/58/51/563175851.db2.gz	UIOKYSZTQDGGFB-KNQAVFIVSA-N	-1	0	440.565	3.902	1	0		IHAFRM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)NC34CC5CC(CC(C5)C3)C4)cc2)n1	ZINC000096271191	563196761	/nfs/dbraw/zinc/19/67/61/563196761.db2.gz	QNAJGRGDMCTDMU-UHFFFAOYSA-N	-1	0	441.557	3.676	1	0		IHAFRM