smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(S(=O)(=O)N2CN(c3ccc(C(=O)[O-])cc3)c3nc4ccccc4nc32)cc1	ZINC000000636182	193866528	/nfs/dbraw/zinc/86/65/28/193866528.db2.gz	BZKNSDDAJRDGTE-UHFFFAOYSA-N	-1	0	489.513	3.591	50	0		JHAARM
Cc1ccccc1[N-]S(=O)(=O)c1cc(OCC(=O)Nc2nncs2)c(C)cc1Cl	ZINC000000645348	193871566	/nfs/dbraw/zinc/87/15/66/193871566.db2.gz	JMLVIGQVPHDRFP-UHFFFAOYSA-N	-1	0	452.945	3.627	50	0		JHAARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000000980943	193996543	/nfs/dbraw/zinc/99/65/43/193996543.db2.gz	UMRMDPCIMHJTGG-VNUQYUTRSA-N	-1	0	492.731	3.554	50	0		JHAARM
CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)ccc2C)c1	ZINC000001196730	194067811	/nfs/dbraw/zinc/06/78/11/194067811.db2.gz	WADDOAOULPRLPE-UHFFFAOYSA-N	-1	0	452.488	3.949	50	0		JHAARM
COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)CCC(=O)[O-])nn32)cc1	ZINC000002253373	194158945	/nfs/dbraw/zinc/15/89/45/194158945.db2.gz	PXQOOBNYCYSALL-GOSISDBHSA-N	-1	0	453.886	3.799	50	0		JHAARM
Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C(=O)[O-])cc2)cc1	ZINC000002932505	194173715	/nfs/dbraw/zinc/17/37/15/194173715.db2.gz	IDDMUDRPUWCPRK-UHFFFAOYSA-N	-1	0	479.583	3.921	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)N(C)C2CCCCC2)cc1	ZINC000003316105	194278897	/nfs/dbraw/zinc/27/88/97/194278897.db2.gz	CBUFJBJRJSTQSZ-UHFFFAOYSA-N	-1	0	480.608	3.617	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cccc(F)c2)cc1	ZINC000003431083	194322139	/nfs/dbraw/zinc/32/21/39/194322139.db2.gz	NZVUEQUHDUYDFP-UHFFFAOYSA-N	-1	0	472.494	3.821	50	0		JHAARM
COc1ccc(C(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)c(OC)c1	ZINC000003521300	194334790	/nfs/dbraw/zinc/33/47/90/194334790.db2.gz	BBSIUZDCPFJHQS-UHFFFAOYSA-N	-1	0	487.505	3.992	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000004202255	194384548	/nfs/dbraw/zinc/38/45/48/194384548.db2.gz	ZVHNNCSUTNWKFC-OAQYLSRUSA-N	-1	0	452.507	3.941	50	0		JHAARM
CCOC(=O)[C@@]1(C)C=C(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)N1c1ccccc1	ZINC000004647337	194393066	/nfs/dbraw/zinc/39/30/66/194393066.db2.gz	KRVKGOYWYZQPIV-HSZRJFAPSA-N	-1	0	498.586	3.608	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]c2=O)cc1	ZINC000009429656	194773015	/nfs/dbraw/zinc/77/30/15/194773015.db2.gz	BYOXXDKBCVFQQD-UHFFFAOYSA-N	-1	0	484.917	3.981	50	0		JHAARM
O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc(Br)cc(Br)c1[O-]	ZINC000009886853	195014830	/nfs/dbraw/zinc/01/48/30/195014830.db2.gz	UKXLUYCEZRMFEU-UHFFFAOYSA-N	-1	0	484.188	3.679	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(F)cc1)C(C)C	ZINC000009944320	195030532	/nfs/dbraw/zinc/03/05/32/195030532.db2.gz	VUTKPIWCIXDSHF-HXUWFJFHSA-N	-1	0	499.568	3.993	50	0		JHAARM
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000012630370	195062287	/nfs/dbraw/zinc/06/22/87/195062287.db2.gz	MAVBSSJFXHKLBY-UHFFFAOYSA-N	-1	0	478.162	3.979	50	0		JHAARM
O=C(CSc1nc2ccccc2c(=O)n1[N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	ZINC000020643527	195194208	/nfs/dbraw/zinc/19/42/08/195194208.db2.gz	ZFQBDAJPPGPNNI-UHFFFAOYSA-N	-1	0	485.974	3.957	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCCCC(=O)NCc3cccnc3)c(=O)c2cc1OCC	ZINC000020644738	195195018	/nfs/dbraw/zinc/19/50/18/195195018.db2.gz	VWRPPSFSEKCEKN-UHFFFAOYSA-N	-1	0	456.568	3.738	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](CC(=O)[O-])N(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000021046209	195271515	/nfs/dbraw/zinc/27/15/15/195271515.db2.gz	CZIPPGVCSVUMQQ-SFHVURJKSA-N	-1	0	453.944	3.900	50	0		JHAARM
Cc1cc(C)cc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c1	ZINC000021089261	195274126	/nfs/dbraw/zinc/27/41/26/195274126.db2.gz	UCARVDSIDATNIB-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
CCN1CCc2nc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccc(C(C)=O)cc4)cc3)sc2C1	ZINC000021295719	195293432	/nfs/dbraw/zinc/29/34/32/195293432.db2.gz	IKNQZLKDFBYJLJ-UHFFFAOYSA-N	-1	0	484.603	3.777	50	0		JHAARM
CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1	ZINC000033306452	519702460	/nfs/dbraw/zinc/70/24/60/519702460.db2.gz	VSAHOVOHACTGJQ-QPJJXVBHSA-N	-1	0	461.521	3.745	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])CC1	ZINC000033253516	520584422	/nfs/dbraw/zinc/58/44/22/520584422.db2.gz	XWUOGLONTGLJRS-UHFFFAOYSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)cc(C)c2)CC1	ZINC000033253945	520584600	/nfs/dbraw/zinc/58/46/00/520584600.db2.gz	IXCSUAHEJIQVRG-UHFFFAOYSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])CC1	ZINC000021883411	520584714	/nfs/dbraw/zinc/58/47/14/520584714.db2.gz	VVKCOQLWXPBTSZ-UHFFFAOYSA-N	-1	0	460.552	3.528	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1	ZINC000022851796	520957746	/nfs/dbraw/zinc/95/77/46/520957746.db2.gz	LOJJSEWXCFAWTA-QGZVFWFLSA-N	-1	0	453.524	3.620	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000095481491	521039007	/nfs/dbraw/zinc/03/90/07/521039007.db2.gz	CRFLPKDXODINNQ-RPWUZVMVSA-N	-1	0	485.500	3.810	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2OC)c1	ZINC000033123222	521773176	/nfs/dbraw/zinc/77/31/76/521773176.db2.gz	JRRCSMUOLCPDPV-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
COC(=O)c1cc(CNC(=O)[C@@H]2CCOC(C)(C)C2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012246627	521851852	/nfs/dbraw/zinc/85/18/52/521851852.db2.gz	CAUJNYLJKYXFGY-MRXNPFEDSA-N	-1	0	494.997	3.749	50	0		JHAARM
CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c1)NC(=O)CCC2=O	ZINC000033276699	522706815	/nfs/dbraw/zinc/70/68/15/522706815.db2.gz	HFYYXKLWMGADIG-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000033276583	523075319	/nfs/dbraw/zinc/07/53/19/523075319.db2.gz	JFICGEWDHOGKCM-UHFFFAOYSA-N	-1	0	474.926	3.694	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])c1	ZINC000033259957	524194343	/nfs/dbraw/zinc/19/43/43/524194343.db2.gz	PVXCVRNPUTYUDK-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1	ZINC000027990588	524591976	/nfs/dbraw/zinc/59/19/76/524591976.db2.gz	DUOKNHRWIWDCFO-UHFFFAOYSA-N	-1	0	455.521	3.863	50	0		JHAARM
COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000014900175	524624507	/nfs/dbraw/zinc/62/45/07/524624507.db2.gz	RWWNPXULZBTLTG-UHFFFAOYSA-N	-1	0	483.525	3.786	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)ccc1C	ZINC000012526016	524643015	/nfs/dbraw/zinc/64/30/15/524643015.db2.gz	YMQFYHKYLGOHBR-UHFFFAOYSA-N	-1	0	492.557	3.612	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc2OC)cc1	ZINC000021870486	524688117	/nfs/dbraw/zinc/68/81/17/524688117.db2.gz	JVOLLVDUJRNGJL-UHFFFAOYSA-N	-1	0	484.530	3.805	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccc(F)cc2)c1	ZINC000023438956	524882471	/nfs/dbraw/zinc/88/24/71/524882471.db2.gz	FQSAANQJTBCXTC-UHFFFAOYSA-N	-1	0	458.511	3.616	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000021883363	525089486	/nfs/dbraw/zinc/08/94/86/525089486.db2.gz	HMXSMJVIUONJFV-SFHVURJKSA-N	-1	0	496.589	3.613	50	0		JHAARM
Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)c(C(=O)[O-])c1	ZINC000033253042	525785207	/nfs/dbraw/zinc/78/52/07/525785207.db2.gz	ZRCZSQRKPOGCBY-UHFFFAOYSA-N	-1	0	486.981	3.869	50	0		JHAARM
O=C([O-])[C@@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@H]2c3cc(Br)ccc3C(=O)O[C@H]12	ZINC000004124470	526294249	/nfs/dbraw/zinc/29/42/49/526294249.db2.gz	OREZDCBPAATILW-OFQRWUPVSA-N	-1	0	490.356	3.891	50	0		JHAARM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(I)cc2)ccc1Cl	ZINC000016193261	526352265	/nfs/dbraw/zinc/35/22/65/526352265.db2.gz	KYGYOAHPLOUASP-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCN(c2ccccc2F)CC1	ZINC000033253137	526352406	/nfs/dbraw/zinc/35/24/06/526352406.db2.gz	GINBTTGPSSZVIA-UHFFFAOYSA-N	-1	0	491.491	3.930	50	0		JHAARM
O=C([O-])c1cnc(N2CCC(CC[NH+]3CCCCC3)CC2)c([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000035397924	526404114	/nfs/dbraw/zinc/40/41/14/526404114.db2.gz	GBOIBBGTBXDUDM-UHFFFAOYSA-N	-1	0	490.601	3.812	50	0		JHAARM
CCCNS(=O)(=O)c1cc(NC(=O)C2CCC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C	ZINC000096317915	535179526	/nfs/dbraw/zinc/17/95/26/535179526.db2.gz	MGZFSXUQAPKRJK-UHFFFAOYSA-N	-1	0	478.571	3.690	50	0		JHAARM
CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)C)c(S(=O)(=O)NC(C)C)c1	ZINC000096317910	536112792	/nfs/dbraw/zinc/11/27/92/536112792.db2.gz	PWTXBZAZXHVSBN-AWEZNQCLSA-N	-1	0	480.587	3.934	50	0		JHAARM
O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1	ZINC000000939604	553876055	/nfs/dbraw/zinc/87/60/55/553876055.db2.gz	GUJYSZYRFYCFGK-MRXNPFEDSA-N	-1	0	460.770	3.726	50	0		JHAARM
Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c2oc1=O	ZINC000002158132	554073410	/nfs/dbraw/zinc/07/34/10/554073410.db2.gz	LDJHQNUGYVSZMZ-IERDGZPVSA-N	-1	0	462.502	3.779	50	0	biogenic	JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1	ZINC000002655668	554271420	/nfs/dbraw/zinc/27/14/20/554271420.db2.gz	NRWXYCZBBGABIL-UHFFFAOYSA-N	-1	0	474.560	3.547	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)/C(=C/c1ccccc1)NC(=O)c1ccco1	ZINC000002841261	554373011	/nfs/dbraw/zinc/37/30/11/554373011.db2.gz	RKDVLIPUSKTLDE-CYVLTUHYSA-N	-1	0	494.554	3.947	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)o1	ZINC000002995733	554421652	/nfs/dbraw/zinc/42/16/52/554421652.db2.gz	IGHMGQKJWJNYFR-MTMYEVCSSA-N	-1	0	483.318	3.625	50	0		JHAARM
COc1ccc(Cn2c(=O)c3ccc(C(=O)N4CCc5ccccc5C4)cc3[n-]c2=S)cc1	ZINC000003630335	554467617	/nfs/dbraw/zinc/46/76/17/554467617.db2.gz	MMRNVWIJCVJTKC-UHFFFAOYSA-N	-1	0	457.555	3.941	50	0		JHAARM
C[C@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1	ZINC000006250982	554523168	/nfs/dbraw/zinc/52/31/68/554523168.db2.gz	XEINNWDMPWDUBD-KBPBESRZSA-N	-1	0	477.384	3.807	50	0		JHAARM
COc1ccc(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)cc1OC	ZINC000006267813	554523693	/nfs/dbraw/zinc/52/36/93/554523693.db2.gz	GRTYSLYSEWTLEP-UHFFFAOYSA-N	-1	0	458.511	3.616	50	0		JHAARM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000008400684	554575885	/nfs/dbraw/zinc/57/58/85/554575885.db2.gz	LNNDPFRGEVDSIR-ODLFYWEKSA-N	-1	0	470.503	3.532	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000008815795	554697406	/nfs/dbraw/zinc/69/74/06/554697406.db2.gz	BQSVUMIXPDCYCT-PZUDMAOCSA-N	-1	0	484.530	3.839	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)cc2)n1	ZINC000008845860	554743939	/nfs/dbraw/zinc/74/39/39/554743939.db2.gz	RWQJMHITYBEBKH-UHFFFAOYSA-N	-1	0	478.530	3.870	50	0		JHAARM
CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(Br)cc1	ZINC000008920076	554816893	/nfs/dbraw/zinc/81/68/93/554816893.db2.gz	BASDMYFYVQGREX-WMLDXEAASA-N	-1	0	452.326	3.855	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000009057866	554876942	/nfs/dbraw/zinc/87/69/42/554876942.db2.gz	VSTUSVMLMVGGCF-UHFFFAOYSA-N	-1	0	454.504	3.910	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1Sc1nnnn1-c1ccccc1)c1ccc(F)cc1	ZINC000009126863	554921246	/nfs/dbraw/zinc/92/12/46/554921246.db2.gz	ATEUCKVDKOTOFV-UHFFFAOYSA-N	-1	0	479.522	3.697	50	0		JHAARM
O=C([O-])CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1Cl	ZINC000009260837	555035734	/nfs/dbraw/zinc/03/57/34/555035734.db2.gz	MMJXMQUEUSMXNF-LJQANCHMSA-N	-1	0	451.704	3.837	50	0		JHAARM
CC[C@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4nccs4)n3c(=O)c21	ZINC000009329167	555100041	/nfs/dbraw/zinc/10/00/41/555100041.db2.gz	CHUSOCQCNWIPBU-OAQYLSRUSA-N	-1	0	452.565	3.908	50	0		JHAARM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1cc(OC)c(NC(=O)c2ccccc2)cc1OC	ZINC000009490978	555267287	/nfs/dbraw/zinc/26/72/87/555267287.db2.gz	KTHPIORUBAJSRO-UHFFFAOYSA-N	-1	0	499.545	3.724	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc(C(=O)NCCCc3ccccc3)ccc2OC)cc(OC)c1	ZINC000009491391	555268939	/nfs/dbraw/zinc/26/89/39/555268939.db2.gz	YAGIJWHUZSLNCC-UHFFFAOYSA-N	-1	0	484.574	3.876	50	0		JHAARM
Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cccc4ccccc43)[n-]c2=O)cc1	ZINC000009518124	555312238	/nfs/dbraw/zinc/31/22/38/555312238.db2.gz	JHQSMXXAHMMIPL-UHFFFAOYSA-N	-1	0	459.531	3.797	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(OC)c(OC)c2)c1	ZINC000009632884	555334758	/nfs/dbraw/zinc/33/47/58/555334758.db2.gz	QHRNTTKDSCYZGR-UHFFFAOYSA-N	-1	0	470.547	3.785	50	0		JHAARM
Cc1cc(C)nc(SC2=C(Nc3cccc(C(=O)[O-])c3)C(=O)N(Cc3ccccc3)C2=O)n1	ZINC000013150237	555355420	/nfs/dbraw/zinc/35/54/20/555355420.db2.gz	YNMOHMQJZCGESH-UHFFFAOYSA-N	-1	0	460.515	3.776	50	0		JHAARM
CS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)nn1	ZINC000009650557	555361938	/nfs/dbraw/zinc/36/19/38/555361938.db2.gz	HOGQJURYYXZATC-UHFFFAOYSA-N	-1	0	458.348	3.655	50	0		JHAARM
CCc1nnc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)s1	ZINC000009668810	555382398	/nfs/dbraw/zinc/38/23/98/555382398.db2.gz	APDLKWMBFUUXGQ-UHFFFAOYSA-N	-1	0	467.370	3.916	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1	ZINC000009672355	555394147	/nfs/dbraw/zinc/39/41/47/555394147.db2.gz	QKHCJLHXMHXAPX-UHFFFAOYSA-N	-1	0	458.561	3.786	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Nc2ccccc2)s1	ZINC000013395278	555394733	/nfs/dbraw/zinc/39/47/33/555394733.db2.gz	SPKQGPARKHEPRZ-KRWDZBQOSA-N	-1	0	453.549	3.667	50	0		JHAARM
NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009714703	555444229	/nfs/dbraw/zinc/44/42/29/555444229.db2.gz	DRALJWUVZJGCLX-UHFFFAOYSA-N	-1	0	453.451	3.724	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCN(C(=O)c3cccs3)CC2)cc1	ZINC000009715700	555448383	/nfs/dbraw/zinc/44/83/83/555448383.db2.gz	TZOUQOMCZLPYBT-UHFFFAOYSA-N	-1	0	493.614	3.763	50	0		JHAARM
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[N-]N3C(=O)NC4(CCC(C)CC4)C3=O)cc12	ZINC000009727863	555461987	/nfs/dbraw/zinc/46/19/87/555461987.db2.gz	DSEOIDVSPWKIJK-UHFFFAOYSA-N	-1	0	469.542	3.739	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000013576343	555515286	/nfs/dbraw/zinc/51/52/86/555515286.db2.gz	WOOJDPDAFGMVFP-WAVCKPEOSA-N	-1	0	464.421	3.709	50	0		JHAARM
COc1ccccc1CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000013582134	555520133	/nfs/dbraw/zinc/52/01/33/555520133.db2.gz	HUHILJANOJULGC-GOSISDBHSA-N	-1	0	495.648	3.732	50	0		JHAARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2nccnc2c1	ZINC000013693302	555588266	/nfs/dbraw/zinc/58/82/66/555588266.db2.gz	GEZDWRPWPVCDAX-LJQANCHMSA-N	-1	0	453.296	3.935	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NC[C@H](O)c4ccccc4)cc3s2)cc1	ZINC000013729130	555602601	/nfs/dbraw/zinc/60/26/01/555602601.db2.gz	ZOEVSFJXTQFZRJ-FQEVSTJZSA-N	-1	0	483.571	3.569	50	0		JHAARM
O=C([O-])CCCCCC[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1NC[C@H](O)C1CCCCC1	ZINC000013884900	555640526	/nfs/dbraw/zinc/64/05/26/555640526.db2.gz	YZJVWSKJHGEIBL-VXKWHMMOSA-N	-1	0	459.587	3.690	50	0	in-vitro	JHAARM
CCc1cccc(NC(=O)CSc2nc3c4cc(OC)ccc4[nH]c3c(=O)n2CCC(=O)[O-])c1	ZINC000020131597	555656485	/nfs/dbraw/zinc/65/64/85/555656485.db2.gz	CWCGPQIWSXRZQC-UHFFFAOYSA-N	-1	0	480.546	3.654	50	0		JHAARM
COC(=O)c1c(C)c(C)sc1NC(=S)N[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000020343229	555777996	/nfs/dbraw/zinc/77/79/96/555777996.db2.gz	BNVJCJZXSTWEJY-UHFFFAOYSA-N	-1	0	455.627	3.629	50	0		JHAARM
Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[n-]1	ZINC000020355883	555784945	/nfs/dbraw/zinc/78/49/45/555784945.db2.gz	MODKOXITJMCPRM-UHFFFAOYSA-N	-1	0	457.577	3.765	50	0		JHAARM
CCC[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-]	ZINC000011865712	555840878	/nfs/dbraw/zinc/84/08/78/555840878.db2.gz	HPFIUDPESZTLBT-IBGZPJMESA-N	-1	0	481.501	3.678	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)CCC(C)C)CC2	ZINC000012151626	555924478	/nfs/dbraw/zinc/92/44/78/555924478.db2.gz	XUVXDLCEXOKNSP-UHFFFAOYSA-N	-1	0	464.609	3.965	50	0		JHAARM
[O-]c1c([C@H](c2cccc(Br)c2)N2CCOCC2)sc2nc(-c3ccco3)nn12	ZINC000022852045	555958835	/nfs/dbraw/zinc/95/88/35/555958835.db2.gz	NCKJQCDKDXOPSJ-HNNXBMFYSA-N	-1	0	461.341	3.941	50	0		JHAARM
[O-]c1c([C@@H](c2ccc(F)cc2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12	ZINC000022852232	555959142	/nfs/dbraw/zinc/95/91/42/555959142.db2.gz	SBOCALWGSQTZGP-QGZVFWFLSA-N	-1	0	456.499	3.824	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)ccc1C	ZINC000012521186	555992567	/nfs/dbraw/zinc/99/25/67/555992567.db2.gz	DNFNFQDJGDXSOA-UHFFFAOYSA-N	-1	0	468.531	3.506	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NC3=NCCS3)c2)cc1Cl	ZINC000023028033	556000797	/nfs/dbraw/zinc/00/07/97/556000797.db2.gz	ZNERQXBUWXJIGM-UHFFFAOYSA-N	-1	0	490.390	3.644	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1F	ZINC000012532654	556003622	/nfs/dbraw/zinc/00/36/22/556003622.db2.gz	XYSGOOAJGLIYDN-UHFFFAOYSA-N	-1	0	472.494	3.636	50	0		JHAARM
NC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)CCC2	ZINC000015822842	556011072	/nfs/dbraw/zinc/01/10/72/556011072.db2.gz	AJFXMKNNFKMDFM-UHFFFAOYSA-N	-1	0	459.524	3.528	50	0		JHAARM
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(OC)c(Cl)c3)[n-]c2=O)cc1	ZINC000023119049	556012584	/nfs/dbraw/zinc/01/25/84/556012584.db2.gz	OKJOPRLLUBLSTL-UHFFFAOYSA-N	-1	0	493.994	3.558	50	0		JHAARM
CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1	ZINC000012548418	556026235	/nfs/dbraw/zinc/02/62/35/556026235.db2.gz	ZDZIWAPJJNVBGJ-UHFFFAOYSA-N	-1	0	475.441	3.868	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCC1	ZINC000012557014	556043838	/nfs/dbraw/zinc/04/38/38/556043838.db2.gz	HAPKYPWDBWYNNP-UHFFFAOYSA-N	-1	0	478.514	3.689	50	0		JHAARM
CCN(CC)Cc1nc2sc(C)c(C)c2c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n1	ZINC000023408396	556051722	/nfs/dbraw/zinc/05/17/22/556051722.db2.gz	IZRJQAFNHLNSNB-UHFFFAOYSA-N	-1	0	462.597	3.722	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1	ZINC000015885099	556060808	/nfs/dbraw/zinc/06/08/08/556060808.db2.gz	IGHMGQKJWJNYFR-VJSYINPZSA-N	-1	0	483.318	3.625	50	0		JHAARM
COc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000015919244	556066729	/nfs/dbraw/zinc/06/67/29/556066729.db2.gz	AFVCZROIJVFCGB-LEWJYISDSA-N	-1	0	481.549	3.614	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4ccccc4Cl)cc3[nH]c2=O)cc1	ZINC000015934020	556071829	/nfs/dbraw/zinc/07/18/29/556071829.db2.gz	JXVCJNVMMWFARA-UHFFFAOYSA-N	-1	0	484.917	3.981	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCN(Cc4ccccc4)CC3)cs2)cc1	ZINC000016848580	556169980	/nfs/dbraw/zinc/16/99/80/556169980.db2.gz	MNIIPWPNMSUULF-UHFFFAOYSA-N	-1	0	484.647	3.529	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccc(OC)cc3OC)ccc2OC)cc1	ZINC000024990908	556170973	/nfs/dbraw/zinc/17/09/73/556170973.db2.gz	YKINKIKYODGRLD-UHFFFAOYSA-N	-1	0	486.546	3.703	50	0		JHAARM
O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000025043219	556173302	/nfs/dbraw/zinc/17/33/02/556173302.db2.gz	LVBOKISZMHWSJZ-UHFFFAOYSA-N	-1	0	494.194	3.608	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(NC2CCCCC2)s1	ZINC000012983404	556176660	/nfs/dbraw/zinc/17/66/60/556176660.db2.gz	IHLQJOXCKODBIB-KRWDZBQOSA-N	-1	0	459.597	3.668	50	0		JHAARM
CCOC(=O)c1oc2ccc(Br)cc2c1Cn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000013100487	556299836	/nfs/dbraw/zinc/29/98/36/556299836.db2.gz	UMFJJCMQBQVLHH-UHFFFAOYSA-N	-1	0	471.263	3.828	50	0		JHAARM
O=C([O-])CCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1	ZINC000013124919	556340616	/nfs/dbraw/zinc/34/06/16/556340616.db2.gz	DRKNZYJLNHTDTL-SFQUDFHCSA-N	-1	0	465.731	3.854	50	0		JHAARM
COc1ccc(C)cc1NC(=O)CNC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S	ZINC000029869301	556359676	/nfs/dbraw/zinc/35/96/76/556359676.db2.gz	GYNZOIHPBVESLW-UHFFFAOYSA-N	-1	0	468.579	3.691	50	0		JHAARM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc2nc3n(c(=O)c2c1)CCC3	ZINC000032833804	556506855	/nfs/dbraw/zinc/50/68/55/556506855.db2.gz	JCVQMJNFJLXGSA-UHFFFAOYSA-N	-1	0	484.759	3.568	50	0		JHAARM
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2c1[C@@H](C)CC2=O	ZINC000032909165	556532898	/nfs/dbraw/zinc/53/28/98/556532898.db2.gz	YWDXVKBYFOPUGN-AWEZNQCLSA-N	-1	0	471.560	3.960	50	0		JHAARM
COc1cccc(-n2c3nc(SCC(=O)NCc4ccco4)[n-]c(=O)c3sc2=S)c1	ZINC000032948268	556563067	/nfs/dbraw/zinc/56/30/67/556563067.db2.gz	IIXVNWKRJLIXOB-UHFFFAOYSA-N	-1	0	460.562	3.515	50	0		JHAARM
CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)Nc2ccccc2)n1	ZINC000008611939	562947863	/nfs/dbraw/zinc/94/78/63/562947863.db2.gz	AXQJIPJZDYAMRF-UHFFFAOYSA-N	-1	0	470.894	3.784	50	0		JHAARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1	ZINC000036383537	563128404	/nfs/dbraw/zinc/12/84/04/563128404.db2.gz	FUTJVEUEUOHYOG-RBJSKKJNSA-N	-1	0	466.541	3.720	50	0		JHAARM
Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)CCCC3	ZINC000006500222	569589001	/nfs/dbraw/zinc/58/90/01/569589001.db2.gz	RTJZXAMFWZMGNQ-UHFFFAOYSA-N	-1	0	480.575	3.600	50	0		JHAARM
CC(C)c1ccc(NC(=O)[C@H]2CCN2C(=O)[C@@H](Cc2ccccc2)[N-]C(=O)C(F)(F)F)cc1	ZINC000057270879	569595282	/nfs/dbraw/zinc/59/52/82/569595282.db2.gz	MKKCJCRPBOPXRZ-WOJBJXKFSA-N	-1	0	461.484	3.639	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C	ZINC000032975700	569606267	/nfs/dbraw/zinc/60/62/67/569606267.db2.gz	UNVCJBUIFIWDKF-RTBURBONSA-N	-1	0	456.564	3.788	50	0		JHAARM
O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1NS(=O)(=O)c1ccc(F)cc1Cl	ZINC000033007106	569615215	/nfs/dbraw/zinc/61/52/15/569615215.db2.gz	FKRYQVHWCJLTFY-UHFFFAOYSA-N	-1	0	490.944	3.700	50	0		JHAARM
COc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)cc1C(=O)[O-]	ZINC000064590164	569621333	/nfs/dbraw/zinc/62/13/33/569621333.db2.gz	HUMCSPXTMLQECW-UHFFFAOYSA-N	-1	0	461.518	3.981	50	0	biogenic	JHAARM
COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)cc2C(=O)[O-])cc1	ZINC000064590217	569621356	/nfs/dbraw/zinc/62/13/56/569621356.db2.gz	AGWDFLFPULGOOR-UHFFFAOYSA-N	-1	0	461.518	3.981	50	0	biogenic	JHAARM
COc1ccccc1N1CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000064590320	569621451	/nfs/dbraw/zinc/62/14/51/569621451.db2.gz	NCGANAFKBVQVJD-UHFFFAOYSA-N	-1	0	461.518	3.738	50	0		JHAARM
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O	ZINC000064774544	569626759	/nfs/dbraw/zinc/62/67/59/569626759.db2.gz	PONYTVQQPZGRRI-HNNXBMFYSA-N	-1	0	463.563	3.889	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O	ZINC000064774930	569627206	/nfs/dbraw/zinc/62/72/06/569627206.db2.gz	FHLRBEUKENOPBT-HNNXBMFYSA-N	-1	0	463.563	3.971	50	0		JHAARM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1	ZINC000065022546	569649210	/nfs/dbraw/zinc/64/92/10/569649210.db2.gz	WNXUFIJLQAWVSR-UHFFFAOYSA-N	-1	0	488.953	3.944	50	0		JHAARM
Cc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C3CC3)n1)C(=O)CO2	ZINC000065022537	569649212	/nfs/dbraw/zinc/64/92/12/569649212.db2.gz	ZGOCYQSLNRWDQF-UHFFFAOYSA-N	-1	0	474.926	3.635	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCCc3ccc(OC)cc3)c(=O)[n-]2)cc1	ZINC000034763353	569658104	/nfs/dbraw/zinc/65/81/04/569658104.db2.gz	VQYFXDUICUDOJJ-UHFFFAOYSA-N	-1	0	450.539	3.723	50	0		JHAARM
CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)cc1	ZINC000034763749	569658146	/nfs/dbraw/zinc/65/81/46/569658146.db2.gz	YVASIDUMYRAIGS-KRWDZBQOSA-N	-1	0	450.539	3.722	50	0		JHAARM
Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000065097665	569661535	/nfs/dbraw/zinc/66/15/35/569661535.db2.gz	JLURYDSIQVGOHH-UHFFFAOYSA-N	-1	0	450.517	3.591	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1Cl	ZINC000065098756	569661795	/nfs/dbraw/zinc/66/17/95/569661795.db2.gz	DEYKMFZWQVAHBL-UHFFFAOYSA-N	-1	0	498.970	3.506	50	0		JHAARM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1	ZINC000065098802	569661864	/nfs/dbraw/zinc/66/18/64/569661864.db2.gz	VPZMVAMFOICVOG-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)ccc2OC)c1	ZINC000065116172	569666179	/nfs/dbraw/zinc/66/61/79/569666179.db2.gz	LKCHMZYTHHBFGJ-UHFFFAOYSA-N	-1	0	475.523	3.689	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)[O-]	ZINC000035397888	569688604	/nfs/dbraw/zinc/68/86/04/569688604.db2.gz	YARGHUHFBHYKRG-UHFFFAOYSA-N	-1	0	471.583	3.694	50	0		JHAARM
CCCN1C(=O)C(c2c(CC)[n-]n(-c3cc(C)ccc3C)c2=O)=C(N2CCC(C)CC2)C1=O	ZINC000035963596	569738039	/nfs/dbraw/zinc/73/80/39/569738039.db2.gz	VFVIASJXQRVCNK-UHFFFAOYSA-N	-1	0	450.583	3.979	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N(c1ccccc1)c1ccccc1	ZINC000100033140	569751654	/nfs/dbraw/zinc/75/16/54/569751654.db2.gz	JEDRYOFIUJGPDT-FCHUYYIVSA-N	-1	0	459.893	3.998	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Br)cc4)c=3c2=O)cc1	ZINC000100033916	569751656	/nfs/dbraw/zinc/75/16/56/569751656.db2.gz	KNOBJBFPBOCMOO-MOPGFXCFSA-N	-1	0	470.327	3.504	50	0		JHAARM
O=C(c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2)C(c1ccccc1)c1ccccc1	ZINC000100675971	569766631	/nfs/dbraw/zinc/76/66/31/569766631.db2.gz	OWSVNHUGABXGTR-IRLDBZIGSA-N	-1	0	477.442	3.924	50	0		JHAARM
CSC[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)[O-]	ZINC000036576665	569776786	/nfs/dbraw/zinc/77/67/86/569776786.db2.gz	LKJMJCPFBMOFLA-GOSISDBHSA-N	-1	0	497.569	3.875	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)c=3c2=O)cc1Cl	ZINC000101262660	569788315	/nfs/dbraw/zinc/78/83/15/569788315.db2.gz	OJFVKAPYLRBJQG-UXHICEINSA-N	-1	0	480.912	3.979	50	0		JHAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@@H]1c1ccc(C(C)C)cc1	ZINC000101456202	569798247	/nfs/dbraw/zinc/79/82/47/569798247.db2.gz	ULKJLCYEVWQLDP-HXUWFJFHSA-N	-1	0	466.925	3.706	50	0		JHAARM
CCS(=O)(=O)[N-]c1nc2n(n1)[C@@H](c1ccccc1OC)CC(c1ccc(Br)cc1)=N2	ZINC000101618419	569801741	/nfs/dbraw/zinc/80/17/41/569801741.db2.gz	WMNXAWVIHJWLOW-QGZVFWFLSA-N	-1	0	490.383	3.867	50	0		JHAARM
CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)[O-])C1	ZINC000038531677	569802361	/nfs/dbraw/zinc/80/23/61/569802361.db2.gz	MDJLYIHNKUJSBA-FPOVZHCZSA-N	-1	0	452.507	3.845	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4O)[nH]n3)cc2)n1	ZINC000038703788	569806133	/nfs/dbraw/zinc/80/61/33/569806133.db2.gz	DLLJMDLEWMBINB-UHFFFAOYSA-N	-1	0	484.925	3.587	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101893034	569807466	/nfs/dbraw/zinc/80/74/66/569807466.db2.gz	AQWHOBYEKLRTCA-RTBURBONSA-N	-1	0	466.885	3.671	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1	ZINC000101893712	569807696	/nfs/dbraw/zinc/80/76/96/569807696.db2.gz	OTMMIIAGKOSPOF-ROUUACIJSA-N	-1	0	481.310	3.555	50	0		JHAARM
CC1(C)S[C@@H]2[C@H](NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)N2[C@H]1c1nnn[n-]1	ZINC000039234427	569809423	/nfs/dbraw/zinc/80/94/23/569809423.db2.gz	LVLHYTUYIUSVFI-OTNCWRBYSA-N	-1	0	482.613	3.885	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	ZINC000102289888	569812026	/nfs/dbraw/zinc/81/20/26/569812026.db2.gz	SXWWBAGNIXCBBF-WOJBJXKFSA-N	-1	0	472.563	3.570	50	0		JHAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)N3c4ccccc4SC[C@H]3c3ccccc3)cc21	ZINC000040146676	569818246	/nfs/dbraw/zinc/81/82/46/569818246.db2.gz	PCJCIHKITJTTFO-FQEVSTJZSA-N	-1	0	496.566	3.539	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1	ZINC000046016272	569842214	/nfs/dbraw/zinc/84/22/14/569842214.db2.gz	GKGAAQIMJOJWCS-UHFFFAOYSA-N	-1	0	483.493	3.661	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c1	ZINC000113560221	569861905	/nfs/dbraw/zinc/86/19/05/569861905.db2.gz	WOOJDPDAFGMVFP-KXPUMZMLSA-N	-1	0	464.421	3.709	50	0		JHAARM
O=C([O-])C[C@H](CNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccc(Cl)cc1	ZINC000238900594	570047498	/nfs/dbraw/zinc/04/74/98/570047498.db2.gz	JRLZCKXEHAKEKI-BHIYHBOVSA-N	-1	0	497.979	3.937	50	0		JHAARM
O=C(OC[C@@H]1O[C@H](n2ncc(=S)[n-]c2=O)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000238937049	570048095	/nfs/dbraw/zinc/04/80/95/570048095.db2.gz	SZFMEFKXFONLHR-QVQNZMNRSA-N	-1	0	573.583	3.919	50	0		JHAARM
COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(NC(C)=O)cc4)[C@H]3C2=O)cc1	ZINC000245309647	570063090	/nfs/dbraw/zinc/06/30/90/570063090.db2.gz	DSHAQGUAJNATGI-WXFUMESZSA-N	-1	0	457.486	3.705	50	0		JHAARM
O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccc(Cl)cc4)C[C@H]32)C(=O)N1c1ccccc1	ZINC000250650959	570079206	/nfs/dbraw/zinc/07/92/06/570079206.db2.gz	QCIYVZIAYZGTKY-WNCULLNHSA-N	-1	0	486.959	3.861	50	0		JHAARM
COc1ccc2occ([C@@H]3CC(=O)Oc4c(C(C)=O)c([O-])c5c(C)cc(=O)oc5c43)c(=O)c2c1	ZINC000253410170	570097509	/nfs/dbraw/zinc/09/75/09/570097509.db2.gz	MXHHPQLJDFGYCT-ZDUSSCGKSA-N	-1	0	462.410	3.566	50	0	biogenic	JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc(OCC(=O)Nc3nncs3)c(C)cc2Cl)cc1	ZINC000000645350	193871606	/nfs/dbraw/zinc/87/16/06/193871606.db2.gz	MLGWPKAJJZRCGW-UHFFFAOYSA-N	-1	0	452.945	3.627	50	0		JHAARM
Cc1ccc(-n2nnnc2SCC(=O)NC(C(=O)[O-])(c2ccccc2)c2ccccc2)cc1C	ZINC000001059822	194012275	/nfs/dbraw/zinc/01/22/75/194012275.db2.gz	DMUCDHKIUOLCQD-UHFFFAOYSA-N	-1	0	473.558	3.516	50	0		JHAARM
O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1	ZINC000001113876	194028725	/nfs/dbraw/zinc/02/87/25/194028725.db2.gz	PFJBPXDSCODZJD-WUXMJOGZSA-N	-1	0	474.498	3.811	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)s1	ZINC000001515915	194127262	/nfs/dbraw/zinc/12/72/62/194127262.db2.gz	LRVOOFPGGLCHKL-UHFFFAOYSA-N	-1	0	467.370	3.916	50	0		JHAARM
CCc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000001786949	194140194	/nfs/dbraw/zinc/14/01/94/194140194.db2.gz	BMRBVRCSVFQNPL-FCHUYYIVSA-N	-1	0	461.470	3.723	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(O)c(C(=O)[O-])c2)cc1	ZINC000002272821	194158815	/nfs/dbraw/zinc/15/88/15/194158815.db2.gz	QKJBNXQNGGHPGN-UHFFFAOYSA-N	-1	0	493.501	3.536	50	0		JHAARM
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000002316395	194159607	/nfs/dbraw/zinc/15/96/07/194159607.db2.gz	LYUQXYSYJSOXSR-UHFFFAOYSA-N	-1	0	476.605	3.860	50	0		JHAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)Nc1nc2ccccc2s1	ZINC000003220255	194241910	/nfs/dbraw/zinc/24/19/10/194241910.db2.gz	BLAAYCCDZNCGRW-UHFFFAOYSA-N	-1	0	489.556	3.660	50	0		JHAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000003329107	194284677	/nfs/dbraw/zinc/28/46/77/194284677.db2.gz	PBHUBXFCXAADCE-UHFFFAOYSA-N	-1	0	453.822	3.963	50	0		JHAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1ccc(F)c(F)c1F	ZINC000003346617	194293431	/nfs/dbraw/zinc/29/34/31/194293431.db2.gz	OAQHQNARVXNACG-UHFFFAOYSA-N	-1	0	470.450	3.762	50	0		JHAARM
CC(C)N(CCCCOCC(=O)[N-]S(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000003990451	194367998	/nfs/dbraw/zinc/36/79/98/194367998.db2.gz	QXWZQTURMXZVHJ-UHFFFAOYSA-N	-1	0	496.633	3.898	50	0	fda	JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccc(C)cc4o3)cc2)c1C	ZINC000008606748	194469249	/nfs/dbraw/zinc/46/92/49/194469249.db2.gz	IWXRNZHWLGQUGZ-UHFFFAOYSA-N	-1	0	453.476	3.759	50	0		JHAARM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000009234255	194620556	/nfs/dbraw/zinc/62/05/56/194620556.db2.gz	QVJDLWKCFNFJKF-UDWIEESQSA-N	-1	0	484.530	3.786	50	0		JHAARM
Cc1ccc(-n2c(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])nc3ccccc3c2=O)cc1C	ZINC000009282993	194656564	/nfs/dbraw/zinc/65/65/64/194656564.db2.gz	ZVIXCPTYXLVZRR-QHCPKHFHSA-N	-1	0	487.581	3.907	50	0		JHAARM
Cc1ccc(-c2nnc(SCC(=O)N(CC(F)(F)F)[C@H](C)C3CC3)n2CC(=O)[O-])cc1	ZINC000012778978	195123023	/nfs/dbraw/zinc/12/30/23/195123023.db2.gz	MZBUIFLBFMXTEB-CYBMUJFWSA-N	-1	0	456.490	3.620	50	0		JHAARM
NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1	ZINC000012785856	195127995	/nfs/dbraw/zinc/12/79/95/195127995.db2.gz	VZQAJJTWWHXMKS-SFHVURJKSA-N	-1	0	450.951	3.717	50	0		JHAARM
C[C@@H](SCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000012795654	195135658	/nfs/dbraw/zinc/13/56/58/195135658.db2.gz	FXTFKMYLKZSRAU-GFCCVEGCSA-N	-1	0	456.973	3.549	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1	ZINC000021029029	195269322	/nfs/dbraw/zinc/26/93/22/195269322.db2.gz	HMRNYYMEDJJOJN-UHFFFAOYSA-N	-1	0	473.576	3.706	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)[n-]c2=O)cc1Cl	ZINC000021089293	195274162	/nfs/dbraw/zinc/27/41/62/195274162.db2.gz	JEWWAJXZLOSCOQ-UHFFFAOYSA-N	-1	0	485.921	3.574	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1	ZINC000059007068	195386844	/nfs/dbraw/zinc/38/68/44/195386844.db2.gz	LXPFSTQTNZFQAD-UHFFFAOYSA-N	-1	0	469.494	3.772	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)[O-])C1	ZINC000004202271	518809810	/nfs/dbraw/zinc/80/98/10/518809810.db2.gz	QXTDDEUDYKMSQN-OAQYLSRUSA-N	-1	0	452.507	3.941	50	0		JHAARM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)N[C@@H](C)c3ccccc3)ccc21	ZINC000012508434	519633181	/nfs/dbraw/zinc/63/31/81/519633181.db2.gz	ULTXDLRMSCYLNE-KRWDZBQOSA-N	-1	0	463.559	3.887	50	0		JHAARM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2[C@H](C)CCC[C@H]2C)cc1	ZINC000012417712	519669077	/nfs/dbraw/zinc/66/90/77/519669077.db2.gz	WFFGPQLYQCAKDY-QZTJIDSGSA-N	-1	0	457.596	3.569	50	0		JHAARM
CC(C)c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1	ZINC000033265747	519838849	/nfs/dbraw/zinc/83/88/49/519838849.db2.gz	MMVZOSNTCJDQPT-UHFFFAOYSA-N	-1	0	479.558	3.954	50	0		JHAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3Cc2ccc(Cl)cc2Cl)CO1	ZINC000013609850	520577143	/nfs/dbraw/zinc/57/71/43/520577143.db2.gz	XJSBSSJQHBQNOS-UHFFFAOYSA-N	-1	0	469.346	3.516	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])C1	ZINC000033253390	521121501	/nfs/dbraw/zinc/12/15/01/521121501.db2.gz	BYQKFJWWEBLORR-LJQANCHMSA-N	-1	0	486.590	3.844	50	0		JHAARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000033447326	521199602	/nfs/dbraw/zinc/19/96/02/521199602.db2.gz	UMRMDPCIMHJTGG-QJZKUFFDSA-N	-1	0	492.731	3.554	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2cccc(C(C)=O)c2)[n-]c1=O	ZINC000045900357	521228755	/nfs/dbraw/zinc/22/87/55/521228755.db2.gz	HQEBTXWUSCNDOR-LJQANCHMSA-N	-1	0	479.562	3.892	50	0		JHAARM
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000002136945	521259604	/nfs/dbraw/zinc/25/96/04/521259604.db2.gz	XHKLMINRCMVECU-QFIPXVFZSA-N	-1	0	462.502	3.808	50	0	biogenic	JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1	ZINC000065098996	521553209	/nfs/dbraw/zinc/55/32/09/521553209.db2.gz	GPJXOWCZDIPIQH-UHFFFAOYSA-N	-1	0	462.553	3.624	50	0		JHAARM
CCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cc(OC)ccc4OC)ccc3n2C)cc1	ZINC000033276967	521747357	/nfs/dbraw/zinc/74/73/57/521747357.db2.gz	LXWWSMWRTOLBJY-UHFFFAOYSA-N	-1	0	494.573	3.808	50	0		JHAARM
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1C	ZINC000022467329	521751729	/nfs/dbraw/zinc/75/17/29/521751729.db2.gz	RLUNWWRJJOVMRG-AWEZNQCLSA-N	-1	0	490.559	3.709	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)C(C)(C)C)CC2	ZINC000012246658	521791845	/nfs/dbraw/zinc/79/18/45/521791845.db2.gz	VYBAWFGJMSIVAL-UHFFFAOYSA-N	-1	0	450.582	3.575	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)c1cccc(F)c1)CC2	ZINC000012246672	521792329	/nfs/dbraw/zinc/79/23/29/521792329.db2.gz	NJKMQXGMPFLQNL-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1)CN(C(=O)Cc1ccc(F)cc1)CC2	ZINC000012246668	521793168	/nfs/dbraw/zinc/79/31/68/521793168.db2.gz	SPCNMHUMGGITLJ-UHFFFAOYSA-N	-1	0	488.562	3.602	50	0		JHAARM
COC(=O)c1cc(CNC(=O)CC(C)(C)C)cc([N-]S(=O)(=O)c2cccc3cccnc32)c1	ZINC000014982454	521846062	/nfs/dbraw/zinc/84/60/62/521846062.db2.gz	LQCLIALULSAUDW-UHFFFAOYSA-N	-1	0	469.563	3.875	50	0		JHAARM
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(Br)c1	ZINC000016382411	522270125	/nfs/dbraw/zinc/27/01/25/522270125.db2.gz	XPGVIBYCKOCAKM-INIZCTEOSA-N	-1	0	494.729	3.861	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1	ZINC000002838583	523225535	/nfs/dbraw/zinc/22/55/35/523225535.db2.gz	BLSFCTZMWUGRMM-HNNXBMFYSA-N	-1	0	467.551	3.526	50	0		JHAARM
COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCC(C(=O)[O-])CC4)ccc3Cl)o2)cc1	ZINC000064988125	523248997	/nfs/dbraw/zinc/24/89/97/523248997.db2.gz	RUIHPJQFBSNFMO-UHFFFAOYSA-N	-1	0	477.926	3.551	50	0		JHAARM
CN(Cc1cccc(Cl)c1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000022678791	523303409	/nfs/dbraw/zinc/30/34/09/523303409.db2.gz	AWEORSQURDHORJ-UHFFFAOYSA-N	-1	0	470.938	3.583	50	0		JHAARM
COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1	ZINC000033170690	523437392	/nfs/dbraw/zinc/43/73/92/523437392.db2.gz	BOAKLHCGTCWGRF-SDQBBNPISA-N	-1	0	484.534	3.880	50	0		JHAARM
COc1ccc(Br)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000002616660	523481106	/nfs/dbraw/zinc/48/11/06/523481106.db2.gz	HDGSMLLQAZPOMY-UHFFFAOYSA-N	-1	0	468.354	3.967	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)c2c(c1=O)CCCC2	ZINC000046027768	523608837	/nfs/dbraw/zinc/60/88/37/523608837.db2.gz	YMCMAQVQMMWSGI-UHFFFAOYSA-N	-1	0	453.564	3.927	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c2c(c1=O)CCCC2	ZINC000046027765	523609638	/nfs/dbraw/zinc/60/96/38/523609638.db2.gz	BJRRXGOTXZDQSC-UHFFFAOYSA-N	-1	0	453.564	3.927	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])c1C	ZINC000033253790	523633799	/nfs/dbraw/zinc/63/37/99/523633799.db2.gz	QOPFDDITMASBJW-UHFFFAOYSA-N	-1	0	474.558	3.837	50	0		JHAARM
COc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012526062	523734591	/nfs/dbraw/zinc/73/45/91/523734591.db2.gz	FNNBZWCFRJAUCF-CXAGYDPISA-N	-1	0	483.384	3.556	50	0		JHAARM
CCc1cc(Sc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)n2nc(C)nc2n1	ZINC000033276040	523841889	/nfs/dbraw/zinc/84/18/89/523841889.db2.gz	LGURJPSRQLQPKM-UHFFFAOYSA-N	-1	0	485.591	3.964	50	0		JHAARM
COc1ccc(C[C@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1	ZINC000016293294	524159302	/nfs/dbraw/zinc/15/93/02/524159302.db2.gz	CTRWHOLXILNZCG-HHHXNRCGSA-N	-1	0	473.529	3.852	50	0		JHAARM
COc1ccccc1CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1	ZINC000033260848	524452762	/nfs/dbraw/zinc/45/27/62/524452762.db2.gz	HNOIMBOHHXOBQZ-UHFFFAOYSA-N	-1	0	460.534	3.612	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccccc4C)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883379	524561940	/nfs/dbraw/zinc/56/19/40/524561940.db2.gz	MVBDVEHRUWTUOJ-IBGZPJMESA-N	-1	0	480.590	3.913	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)n1	ZINC000033387720	524592622	/nfs/dbraw/zinc/59/26/22/524592622.db2.gz	NQZGFTZFWVJWEV-XGICHPGQSA-N	-1	0	485.566	3.560	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)c(OC)c1	ZINC000033303158	524689205	/nfs/dbraw/zinc/68/92/05/524689205.db2.gz	MQVQEWWCWVLNMQ-RMKNXTFCSA-N	-1	0	463.537	3.991	50	0		JHAARM
Cc1cccc(NS(=O)(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2C)c1	ZINC000016095949	524691161	/nfs/dbraw/zinc/69/11/61/524691161.db2.gz	BPDNOAYRPXNVHT-UHFFFAOYSA-N	-1	0	451.957	3.953	50	0		JHAARM
Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1	ZINC000033253101	524873381	/nfs/dbraw/zinc/87/33/81/524873381.db2.gz	JMVATUNNAHDTQR-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000008660762	525061122	/nfs/dbraw/zinc/06/11/22/525061122.db2.gz	JPFVMXRPOCQYFR-KWJFTMPMSA-N	-1	0	488.635	3.604	50	0		JHAARM
CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3Cl)s2)n1	ZINC000016751818	525284377	/nfs/dbraw/zinc/28/43/77/525284377.db2.gz	KXNNJKGQQUPSIO-UHFFFAOYSA-N	-1	0	476.392	3.583	50	0		JHAARM
C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1	ZINC000024750983	525507936	/nfs/dbraw/zinc/50/79/36/525507936.db2.gz	UKYCNFDFYIMOHY-RDTXWAMCSA-N	-1	0	480.546	3.646	50	0		JHAARM
Cc1nn(Cc2ccccc2)c2sc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12	ZINC000014818993	526296210	/nfs/dbraw/zinc/29/62/10/526296210.db2.gz	ATWDQUMUFSNSKH-DEOSSOPVSA-N	-1	0	459.531	3.567	50	0		JHAARM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1	ZINC000016450319	526358916	/nfs/dbraw/zinc/35/89/16/526358916.db2.gz	GPMQCOYJHJRHFI-UNOMPAQXSA-N	-1	0	465.462	3.990	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2)c1C	ZINC000002649102	526640721	/nfs/dbraw/zinc/64/07/21/526640721.db2.gz	NYXPFOWRYITSKL-UHFFFAOYSA-N	-1	0	483.502	3.525	50	0		JHAARM
O=C(CCn1c(=O)c2ccc(Cl)cc2[n-]c1=S)N1CCC[C@H]1c1ccc2c(c1)OCCO2	ZINC000023884914	526670128	/nfs/dbraw/zinc/67/01/28/526670128.db2.gz	WKXWCOSZCAMYEV-SFHVURJKSA-N	-1	0	471.966	3.864	50	0		JHAARM
O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1csc(-c2ccccc2)n1	ZINC000008900072	526842397	/nfs/dbraw/zinc/84/23/97/526842397.db2.gz	HOKNHORROVPJEH-UHFFFAOYSA-N	-1	0	454.511	3.951	50	0		JHAARM
NC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1	ZINC000022851850	526858428	/nfs/dbraw/zinc/85/84/28/526858428.db2.gz	NHGZYDJWNMOYPB-INIZCTEOSA-N	-1	0	457.943	3.697	50	0		JHAARM
Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000065097590	526865617	/nfs/dbraw/zinc/86/56/17/526865617.db2.gz	YQHWBNURCOVAPJ-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1	ZINC000016346417	527259397	/nfs/dbraw/zinc/25/93/97/527259397.db2.gz	LAJAKRKEIIMUKY-UHFFFAOYSA-N	-1	0	467.620	3.929	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-]	ZINC000033253693	527621087	/nfs/dbraw/zinc/62/10/87/527621087.db2.gz	BQOGXYBOWAZYGR-UHFFFAOYSA-N	-1	0	474.558	3.744	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)s1	ZINC000000846564	553796460	/nfs/dbraw/zinc/79/64/60/553796460.db2.gz	JOZHWTKZRYCORB-UHFFFAOYSA-N	-1	0	467.370	3.916	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)c1C	ZINC000000935674	553873281	/nfs/dbraw/zinc/87/32/81/553873281.db2.gz	RPVDPLFHIYXQMH-INIZCTEOSA-N	-1	0	497.529	3.913	50	0		JHAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])oc1c3CCCC1	ZINC000002100623	554042314	/nfs/dbraw/zinc/04/23/14/554042314.db2.gz	QVZAOBGEWRIRIX-NRFANRHFSA-N	-1	0	475.497	3.787	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002133644	554061074	/nfs/dbraw/zinc/06/10/74/554061074.db2.gz	ZIVZJOWPSQQQRQ-JLCFBVMHSA-N	-1	0	478.501	3.512	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002133640	554061203	/nfs/dbraw/zinc/06/12/03/554061203.db2.gz	ZIVZJOWPSQQQRQ-PEBXRYMYSA-N	-1	0	478.501	3.512	50	0	biogenic	JHAARM
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002136796	554062010	/nfs/dbraw/zinc/06/20/10/554062010.db2.gz	PAJYZTOAWHRLFC-CWTRNNRKSA-N	-1	0	484.892	3.521	50	0	biogenic	JHAARM
CSCC[C@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-]	ZINC000002155564	554072164	/nfs/dbraw/zinc/07/21/64/554072164.db2.gz	HAFPESDQNCFJBS-SFHVURJKSA-N	-1	0	457.548	3.900	50	0	biogenic	JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccccc4C)CC3)cc21	ZINC000002324599	554148801	/nfs/dbraw/zinc/14/88/01/554148801.db2.gz	WAPSAXPMVPUAGD-UHFFFAOYSA-N	-1	0	468.554	3.686	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1ccccc1	ZINC000002489990	554227326	/nfs/dbraw/zinc/22/73/26/554227326.db2.gz	ZBYTYJRFDFKPIY-WSDUQJHMSA-N	-1	0	489.380	3.811	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)CCC2	ZINC000002651001	554267000	/nfs/dbraw/zinc/26/70/00/554267000.db2.gz	FKASRQANJBEWFD-UHFFFAOYSA-N	-1	0	456.545	3.833	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1	ZINC000002654528	554270386	/nfs/dbraw/zinc/27/03/86/554270386.db2.gz	JDPQBRJAJYUMJS-UHFFFAOYSA-N	-1	0	458.923	3.614	50	0		JHAARM
COCCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1	ZINC000002973711	554414473	/nfs/dbraw/zinc/41/44/73/554414473.db2.gz	OTZQEOPAEFGHLG-UHFFFAOYSA-N	-1	0	462.369	3.636	50	0		JHAARM
COc1cccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)c1	ZINC000002974397	554414942	/nfs/dbraw/zinc/41/49/42/554414942.db2.gz	FAPZZFHBLAAPST-UHFFFAOYSA-N	-1	0	455.536	3.673	50	0		JHAARM
Cc1cccc(N2CCN(C(=O)CCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)C[C@H]2C)c1	ZINC000002975271	554415378	/nfs/dbraw/zinc/41/53/78/554415378.db2.gz	AJXKBJFVIGPAPU-QGZVFWFLSA-N	-1	0	480.590	3.614	50	0		JHAARM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(I)c2)N1	ZINC000002990952	554420398	/nfs/dbraw/zinc/42/03/98/554420398.db2.gz	LOARJOQDTDJBOW-ZSOIEALJSA-N	-1	0	454.651	3.704	50	0		JHAARM
Cc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)cc1	ZINC000003051891	554424500	/nfs/dbraw/zinc/42/45/00/554424500.db2.gz	YLPDAQHEJZKGAV-UHFFFAOYSA-N	-1	0	459.527	3.701	50	0		JHAARM
COc1ccc(CNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc(OC)cc2)c3=O)cc1	ZINC000003632288	554468971	/nfs/dbraw/zinc/46/89/71/554468971.db2.gz	MRPJQNYXGIQQCX-UHFFFAOYSA-N	-1	0	461.543	3.681	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000008424813	554579774	/nfs/dbraw/zinc/57/97/74/554579774.db2.gz	ZFSSEWGJMYXACM-YBYKNVHQSA-N	-1	0	495.409	3.872	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1	ZINC000008829965	554720131	/nfs/dbraw/zinc/72/01/31/554720131.db2.gz	SPOMNDOMLXHURU-GRTQGXPSSA-N	-1	0	483.318	3.625	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)cc2)nc(C)n1	ZINC000008845859	554743907	/nfs/dbraw/zinc/74/39/07/554743907.db2.gz	QDEIOAVXVGIPEZ-UHFFFAOYSA-N	-1	0	478.530	3.870	50	0		JHAARM
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC	ZINC000008879586	554775135	/nfs/dbraw/zinc/77/51/35/554775135.db2.gz	GJUCISJFNWSZTI-YADARESESA-N	-1	0	486.565	3.877	50	0	biogenic	JHAARM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1N1CCOCC1	ZINC000008925969	554822347	/nfs/dbraw/zinc/82/23/47/554822347.db2.gz	AUUMSPLIEMMDMQ-CVQXOBEKSA-N	-1	0	480.520	3.618	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000009185572	554958297	/nfs/dbraw/zinc/95/82/97/554958297.db2.gz	SZXFTLFDOZCYIQ-ZDXQCDESSA-N	-1	0	488.496	3.762	50	0		JHAARM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)NCc3ccccc3)ccc21	ZINC000009203893	554974364	/nfs/dbraw/zinc/97/43/64/554974364.db2.gz	ZEAQNDXKXWGNQE-UHFFFAOYSA-N	-1	0	463.559	3.717	50	0		JHAARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000009260996	555035860	/nfs/dbraw/zinc/03/58/60/555035860.db2.gz	DOPDOXGVVPXXDS-ONDHQXCVSA-N	-1	0	455.488	3.952	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C	ZINC000009305045	555078113	/nfs/dbraw/zinc/07/81/13/555078113.db2.gz	AUBDUUHIGJMJFR-HXUWFJFHSA-N	-1	0	481.578	3.854	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1N1CCCC1=O	ZINC000009367423	555129439	/nfs/dbraw/zinc/12/94/39/555129439.db2.gz	HEAGYEQUYNCKFY-UHFFFAOYSA-N	-1	0	476.967	3.976	50	0		JHAARM
Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc12	ZINC000009367430	555129471	/nfs/dbraw/zinc/12/94/71/555129471.db2.gz	CPECAXLBMNVAQD-UHFFFAOYSA-N	-1	0	470.580	3.905	50	0		JHAARM
O=C([O-])CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(C(F)(F)F)c1	ZINC000009382941	555148028	/nfs/dbraw/zinc/14/80/28/555148028.db2.gz	KVTHLACMXFJUNX-UHFFFAOYSA-N	-1	0	466.466	3.888	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1OC	ZINC000009467955	555246144	/nfs/dbraw/zinc/24/61/44/555246144.db2.gz	HGSNYFUZQHGNQM-UHFFFAOYSA-N	-1	0	479.558	3.958	50	0		JHAARM
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccccc1Br	ZINC000009491991	555270896	/nfs/dbraw/zinc/27/08/96/555270896.db2.gz	NGPUUPDDTLWISK-UHFFFAOYSA-N	-1	0	491.429	3.679	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)ccc1Cl	ZINC000009508322	555294432	/nfs/dbraw/zinc/29/44/32/555294432.db2.gz	VLQMIOIFLUEQLZ-UHFFFAOYSA-N	-1	0	498.948	3.567	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(N4CCCC4=O)cc3)ccc2OC)cc1	ZINC000009511928	555301110	/nfs/dbraw/zinc/30/11/10/555301110.db2.gz	GZGPULFOEPEHPT-UHFFFAOYSA-N	-1	0	495.557	3.884	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)c(OC)c1	ZINC000009529561	555323875	/nfs/dbraw/zinc/32/38/75/555323875.db2.gz	CTAOZTWDAAKQQP-UHFFFAOYSA-N	-1	0	454.552	3.952	50	0		JHAARM
CCOc1ccc(-n2c3nc(SCC(=O)N[C@@H](C)CC)[n-]c(=O)c3sc2=S)cc1	ZINC000013144767	555341619	/nfs/dbraw/zinc/34/16/19/555341619.db2.gz	KLNZWNUTOQQXNR-NSHDSACASA-N	-1	0	450.611	3.910	50	0		JHAARM
CC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2NC(=O)c2ccc(OC(C)=O)cc2)cc1	ZINC000009554026	555350692	/nfs/dbraw/zinc/35/06/92/555350692.db2.gz	UHHVHDUVMGNDJI-UHFFFAOYSA-N	-1	0	476.441	3.740	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1Br	ZINC000009641341	555351702	/nfs/dbraw/zinc/35/17/02/555351702.db2.gz	IJRNHMATGCOHJC-UHFFFAOYSA-N	-1	0	468.354	3.967	50	0		JHAARM
CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)nn1	ZINC000009572668	555369700	/nfs/dbraw/zinc/36/97/00/555369700.db2.gz	CARPTSCHAHEWEG-UHFFFAOYSA-N	-1	0	458.348	3.655	50	0		JHAARM
CCOC(=O)[C@@H](C)NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1	ZINC000013349246	555379299	/nfs/dbraw/zinc/37/92/99/555379299.db2.gz	KFNOIIMOEODIBR-CQSZACIVSA-N	-1	0	476.580	3.787	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Nc2cccc(F)c2)s1	ZINC000013401321	555395709	/nfs/dbraw/zinc/39/57/09/555395709.db2.gz	RBSJGTVPFHUUAG-KRWDZBQOSA-N	-1	0	471.539	3.806	50	0		JHAARM
Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c1	ZINC000013400659	555395742	/nfs/dbraw/zinc/39/57/42/555395742.db2.gz	BYEJYWFKSFAELR-LJQANCHMSA-N	-1	0	450.520	3.739	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1	ZINC000013402482	555396004	/nfs/dbraw/zinc/39/60/04/555396004.db2.gz	BDISGVXVLAULNJ-LJQANCHMSA-N	-1	0	481.603	3.651	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)OCC)c3)s2)on1	ZINC000009688794	555415876	/nfs/dbraw/zinc/41/58/76/555415876.db2.gz	ZXEOOHHBMKWGKS-UHFFFAOYSA-N	-1	0	450.494	3.557	50	0		JHAARM
CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000009631468	555460038	/nfs/dbraw/zinc/46/00/38/555460038.db2.gz	LDEWEAVSUFAMKA-OAHLLOKOSA-N	-1	0	491.422	3.523	50	0		JHAARM
Cc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000009631564	555460443	/nfs/dbraw/zinc/46/04/43/555460443.db2.gz	ZCTIAMVMRDJDMN-UHFFFAOYSA-N	-1	0	456.895	3.718	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1N1CCOCC1	ZINC000009631672	555461009	/nfs/dbraw/zinc/46/10/09/555461009.db2.gz	ASQSKSYYVYPHRV-UHFFFAOYSA-N	-1	0	499.564	3.653	50	0		JHAARM
COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1	ZINC000009631764	555461426	/nfs/dbraw/zinc/46/14/26/555461426.db2.gz	OEPZVWHSLJOZPU-UHFFFAOYSA-N	-1	0	497.573	3.594	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)cc2)c1C	ZINC000009791436	555510394	/nfs/dbraw/zinc/51/03/94/555510394.db2.gz	QUAWHFRHXIJUKI-UHFFFAOYSA-N	-1	0	463.899	3.769	50	0		JHAARM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)N1CCN(Cc2ccco2)CC1	ZINC000009852728	555554945	/nfs/dbraw/zinc/55/49/45/555554945.db2.gz	HHXNRPKFZADNII-UHFFFAOYSA-N	-1	0	465.984	3.753	50	0		JHAARM
CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1	ZINC000009970060	555567522	/nfs/dbraw/zinc/56/75/22/555567522.db2.gz	FVSWNZRTNZKMDH-MRXNPFEDSA-N	-1	0	487.622	3.517	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccc(F)cc4)sc3c2)CC1	ZINC000013690035	555583749	/nfs/dbraw/zinc/58/37/49/555583749.db2.gz	CDUZMOBODHEOJK-UHFFFAOYSA-N	-1	0	491.566	3.652	50	0		JHAARM
O=C(NC[C@H](O)c1ccccc1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000013721940	555597596	/nfs/dbraw/zinc/59/75/96/555597596.db2.gz	ZKCGILICYLBSPA-IBGZPJMESA-N	-1	0	471.535	3.700	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(O)[C@@H]2N(CCc3ccccc3F)C(=S)SC2(C)C)cc1	ZINC000013739532	555607063	/nfs/dbraw/zinc/60/70/63/555607063.db2.gz	LHYPTVFULJQZDL-SFHVURJKSA-N	-1	0	497.639	3.905	50	0		JHAARM
O=C(OCc1ccc(-n2cccn2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000011413193	555778688	/nfs/dbraw/zinc/77/86/88/555778688.db2.gz	GOPFGACHZYDXHM-UHFFFAOYSA-N	-1	0	491.525	3.801	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)c1	ZINC000011419284	555779022	/nfs/dbraw/zinc/77/90/22/555779022.db2.gz	RQWUDPYGZATPEO-UHFFFAOYSA-N	-1	0	495.557	3.884	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1C	ZINC000020355868	555784951	/nfs/dbraw/zinc/78/49/51/555784951.db2.gz	VKYBTMYEGCWDPY-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
O=C(CSc1nc(-c2ccccc2)[n-]c1S(=O)(=O)c1ccccc1)NCc1ccco1	ZINC000011695878	555802500	/nfs/dbraw/zinc/80/25/00/555802500.db2.gz	IRFCTDSCZABJRH-UHFFFAOYSA-N	-1	0	453.545	3.911	50	0		JHAARM
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)[O-])c(C)c3cc2c1C	ZINC000011865556	555840315	/nfs/dbraw/zinc/84/03/15/555840315.db2.gz	FCEWBUHSEPWHAK-OAQYLSRUSA-N	-1	0	463.486	3.915	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccccc4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883364	555856884	/nfs/dbraw/zinc/85/68/84/555856884.db2.gz	ATVYIQYYOUJWBD-GOSISDBHSA-N	-1	0	466.563	3.604	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1)CN(C(=O)c1ccccc1)CC2	ZINC000011912301	555860653	/nfs/dbraw/zinc/86/06/53/555860653.db2.gz	DBKKOEVVOHACRN-UHFFFAOYSA-N	-1	0	470.572	3.842	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)cc1)CN(C(=O)c1cccc(F)c1)CC2	ZINC000015071702	555870986	/nfs/dbraw/zinc/87/09/86/555870986.db2.gz	ZSNHFUSOIDLBJZ-UHFFFAOYSA-N	-1	0	492.525	3.812	50	0		JHAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCCOc2cc(C)ccc2C)cc1	ZINC000011990939	555877897	/nfs/dbraw/zinc/87/78/97/555877897.db2.gz	RXZJKWIWEVEPGP-UHFFFAOYSA-N	-1	0	461.584	3.889	50	0		JHAARM
COCc1cc(C)nc2sc3c(c21)N[C@H](c1c2cc(OC)ccc2[nH]c1C(=O)[O-])NC3=O	ZINC000015108022	555877998	/nfs/dbraw/zinc/87/79/98/555877998.db2.gz	SNJYXEVJHDHQLR-IBGZPJMESA-N	-1	0	452.492	3.793	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4ccccc4C3)ccc2OC)c(OC)c1	ZINC000015339162	555899362	/nfs/dbraw/zinc/89/93/62/555899362.db2.gz	DTPCQOZGQIQXRP-UHFFFAOYSA-N	-1	0	482.558	3.712	50	0		JHAARM
COC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1	ZINC000022852216	555959210	/nfs/dbraw/zinc/95/92/10/555959210.db2.gz	WROKGVNKCJAADR-KRWDZBQOSA-N	-1	0	456.499	3.870	50	0		JHAARM
CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1	ZINC000022853603	555960665	/nfs/dbraw/zinc/96/06/65/555960665.db2.gz	ONWAURDEYXAAGP-INIZCTEOSA-N	-1	0	479.400	3.796	50	0		JHAARM
CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000022854729	555961179	/nfs/dbraw/zinc/96/11/79/555961179.db2.gz	FBDRPCQWTXOKMW-QFIPXVFZSA-N	-1	0	463.607	3.975	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000022854745	555961559	/nfs/dbraw/zinc/96/15/59/555961559.db2.gz	LZBCTJQBYNBQOP-HSZRJFAPSA-N	-1	0	493.633	3.983	50	0		JHAARM
CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000012382141	555970853	/nfs/dbraw/zinc/97/08/53/555970853.db2.gz	WMBPJKWVAABOCZ-TVNWYLLRSA-N	-1	0	477.330	3.975	50	0		JHAARM
O=C([O-])[C@@H]1Sc2c(sc(=O)n2Cc2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@H]12	ZINC000012393427	555975476	/nfs/dbraw/zinc/97/54/76/555975476.db2.gz	YFCDOHBPQXKUCG-YQQAZPJKSA-N	-1	0	459.932	3.838	50	0		JHAARM
CCC[C@@H](NC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000015821610	556010178	/nfs/dbraw/zinc/01/01/78/556010178.db2.gz	BGOLFVZCYFVQHY-UIMCMNAESA-N	-1	0	459.340	3.898	50	0		JHAARM
Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000023157804	556026146	/nfs/dbraw/zinc/02/61/46/556026146.db2.gz	TUVSBOHFBQPMMA-KRWDZBQOSA-N	-1	0	457.943	3.599	50	0		JHAARM
C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1	ZINC000024750989	556149484	/nfs/dbraw/zinc/14/94/84/556149484.db2.gz	UKYCNFDFYIMOHY-KBXCAEBGSA-N	-1	0	480.546	3.646	50	0		JHAARM
COc1ccc(-c2cnn3cc4c(nc23)-c2cc3c(cc2C4[N-]C(=O)C(F)(F)F)OCO3)cc1OC	ZINC000012952748	556160819	/nfs/dbraw/zinc/16/08/19/556160819.db2.gz	KVVMBRNDZUGPQU-OAQYLSRUSA-N	-1	0	498.417	3.891	50	0		JHAARM
COc1ccc(CC(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)c(OC)c1	ZINC000024986501	556170008	/nfs/dbraw/zinc/17/00/08/556170008.db2.gz	AYMGCDBMAZSPNQ-UHFFFAOYSA-N	-1	0	474.510	3.834	50	0		JHAARM
COc1ccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)c(OC)c1	ZINC000016848617	556170062	/nfs/dbraw/zinc/17/00/62/556170062.db2.gz	FIWNQVRCANTQGQ-UHFFFAOYSA-N	-1	0	461.565	3.841	50	0		JHAARM
CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000025048206	556173905	/nfs/dbraw/zinc/17/39/05/556173905.db2.gz	DLPVPPRYEDVOBJ-UHFFFAOYSA-N	-1	0	497.820	3.552	50	0		JHAARM
Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017042970	556209689	/nfs/dbraw/zinc/20/96/89/556209689.db2.gz	FSQKUSOIFIRRSO-UHFFFAOYSA-N	-1	0	483.532	3.958	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000013040432	556243606	/nfs/dbraw/zinc/24/36/06/556243606.db2.gz	QECLKULDOVLBBV-UHFFFAOYSA-N	-1	0	454.504	3.545	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1ccc(F)cc1	ZINC000017249964	556247805	/nfs/dbraw/zinc/24/78/05/556247805.db2.gz	MCTBDWGZXBLOJD-UHFFFAOYSA-N	-1	0	452.467	3.911	50	0		JHAARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1	ZINC000013053723	556250131	/nfs/dbraw/zinc/25/01/31/556250131.db2.gz	FDERZXLCQJGFPP-UHFFFAOYSA-N	-1	0	457.502	3.728	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(OC)c(OC)c2)c1	ZINC000013058515	556253858	/nfs/dbraw/zinc/25/38/58/556253858.db2.gz	XFQMBQIKLYYIKK-UHFFFAOYSA-N	-1	0	470.547	3.752	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000018166076	556297343	/nfs/dbraw/zinc/29/73/43/556297343.db2.gz	SATMQKXJAPUZDC-HZPDHXFCSA-N	-1	0	452.685	3.579	50	0		JHAARM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c1	ZINC000028198218	556317306	/nfs/dbraw/zinc/31/73/06/556317306.db2.gz	GNXQJOAUKXILMU-UHFFFAOYSA-N	-1	0	482.514	3.606	50	0		JHAARM
CC(C)(C)NC(=O)CN1CCCN(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)CC1	ZINC000029196779	556348902	/nfs/dbraw/zinc/34/89/02/556348902.db2.gz	LSQHQZHMRLODIX-UHFFFAOYSA-N	-1	0	488.057	3.727	50	0		JHAARM
Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)cc12	ZINC000029580209	556353343	/nfs/dbraw/zinc/35/33/43/556353343.db2.gz	YFXQZEHEIGJTNA-RUZDIDTESA-N	-1	0	473.558	3.875	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cccc(Cl)c2)c1	ZINC000031993273	556412574	/nfs/dbraw/zinc/41/25/74/556412574.db2.gz	AFHXZUUBETYGKG-FQEVSTJZSA-N	-1	0	460.939	3.613	50	0		JHAARM
O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(N4CCN(c5ccccc5)CC4)c(Cl)c1=O)(C3)C2	ZINC000008684738	562952235	/nfs/dbraw/zinc/95/22/35/562952235.db2.gz	TXMQGLINAGKFRT-FLCJAFJVSA-N	-1	0	468.985	3.603	50	0		JHAARM
O=C(NCc1cn2ccccc2n1)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1	ZINC000008706644	569594517	/nfs/dbraw/zinc/59/45/17/569594517.db2.gz	UAZSBSLQDQSTKM-UHFFFAOYSA-N	-1	0	491.392	3.889	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])C1	ZINC000032962059	569602920	/nfs/dbraw/zinc/60/29/20/569602920.db2.gz	RIABPDJTTCHYDV-GOSISDBHSA-N	-1	0	474.579	3.890	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1	ZINC000033006900	569615067	/nfs/dbraw/zinc/61/50/67/569615067.db2.gz	IMVLSZDOQZAYSA-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
NC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000064557871	569618349	/nfs/dbraw/zinc/61/83/49/569618349.db2.gz	VXLHCDWJGPMWBI-LJQANCHMSA-N	-1	0	468.918	3.770	50	0		JHAARM
Cc1ccc(C(=O)Nc2ccc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2C(=O)[O-])cc1	ZINC000064589321	569620805	/nfs/dbraw/zinc/62/08/05/569620805.db2.gz	MDXHDQMWEADCSX-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NC(=O)C4CCCC4)c(C(=O)[O-])c3)CC2)cc1	ZINC000064590458	569621423	/nfs/dbraw/zinc/62/14/23/569621423.db2.gz	HKSNBGHKLIEVMT-UHFFFAOYSA-N	-1	0	464.566	3.583	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1F	ZINC000064774691	569626924	/nfs/dbraw/zinc/62/69/24/569626924.db2.gz	SDOCYMHOTPMSHF-QGZVFWFLSA-N	-1	0	459.478	3.990	50	0		JHAARM
CN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000064843271	569637792	/nfs/dbraw/zinc/63/77/92/569637792.db2.gz	UKFOHKWWURZVLH-UHFFFAOYSA-N	-1	0	476.352	3.980	50	0		JHAARM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C3CC3)n1)C(=O)CO2	ZINC000065022553	569649221	/nfs/dbraw/zinc/64/92/21/569649221.db2.gz	GWPNEEZGPJNPKH-UHFFFAOYSA-N	-1	0	492.916	3.774	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1C	ZINC000065036515	569653472	/nfs/dbraw/zinc/65/34/72/569653472.db2.gz	HTKMIGSKYMEASB-UHFFFAOYSA-N	-1	0	474.608	3.811	50	0		JHAARM
COc1ccc(CCN(C)C(=O)CCc2nnc(-c3ccc(OCC(C)C)cc3)[n-]c2=O)cc1OC	ZINC000034763926	569658239	/nfs/dbraw/zinc/65/82/39/569658239.db2.gz	KCBMIXZPERWWBD-UHFFFAOYSA-N	-1	0	494.592	3.930	50	0		JHAARM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2)o1)N1CCCCC1	ZINC000065098997	569661961	/nfs/dbraw/zinc/66/19/61/569661961.db2.gz	JUTLYEQDGFTOJA-UHFFFAOYSA-N	-1	0	454.480	3.503	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000065116749	569666694	/nfs/dbraw/zinc/66/66/94/569666694.db2.gz	CSYDJGGZOVSAIZ-UHFFFAOYSA-N	-1	0	468.507	3.812	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1	ZINC000065137445	569668217	/nfs/dbraw/zinc/66/82/17/569668217.db2.gz	YWFPVZBXZVVWJY-UHFFFAOYSA-N	-1	0	474.608	3.811	50	0		JHAARM
COc1cccc(-n2c(=O)cc([O-])nc2SCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1	ZINC000065614381	569676346	/nfs/dbraw/zinc/67/63/46/569676346.db2.gz	CRQXBNUTWLKCIA-SFHVURJKSA-N	-1	0	492.513	3.603	50	0		JHAARM
COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2	ZINC000066087941	569676859	/nfs/dbraw/zinc/67/68/59/569676859.db2.gz	QUMGNFDRBOKFCB-CYBMUJFWSA-N	-1	0	454.410	3.535	50	0		JHAARM
COc1ccc(-c2n[nH]cc2[C@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)cc1	ZINC000071785010	569698216	/nfs/dbraw/zinc/69/82/16/569698216.db2.gz	OWIKYCJXOOODFK-QGZVFWFLSA-N	-1	0	461.503	3.579	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1ccc(F)cc1F	ZINC000035587825	569705051	/nfs/dbraw/zinc/70/50/51/569705051.db2.gz	OTEJNLGKFJIYGA-UHFFFAOYSA-N	-1	0	464.515	3.907	50	0		JHAARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O	ZINC000035829510	569713034	/nfs/dbraw/zinc/71/30/34/569713034.db2.gz	UFCJFHYBBFDASJ-NVMNQCDNSA-N	-1	0	474.851	3.749	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1	ZINC000085652083	569713849	/nfs/dbraw/zinc/71/38/49/569713849.db2.gz	KZAICKYJHMDSMP-UHFFFAOYSA-N	-1	0	494.529	3.516	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1C	ZINC000085652099	569714025	/nfs/dbraw/zinc/71/40/25/569714025.db2.gz	IUVJWLQJSZFPLU-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
O=C([O-])c1c([C@H](C(=O)[O-])[NH+]2CCN(c3ccccn3)CC2)c2ccccc2n1Cc1ccccc1	ZINC000036360657	569772700	/nfs/dbraw/zinc/77/27/00/569772700.db2.gz	SYKKIBDTCQSFKV-XMMPIXPASA-N	-1	0	470.529	3.731	50	0		JHAARM
O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000036831635	569780866	/nfs/dbraw/zinc/78/08/66/569780866.db2.gz	UCEASUSXZYASKM-IBGZPJMESA-N	-1	0	471.560	3.919	50	0		JHAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)C[C@H]1c1ccc(C(C)C)cc1	ZINC000101456198	569798165	/nfs/dbraw/zinc/79/81/65/569798165.db2.gz	ULKJLCYEVWQLDP-FQEVSTJZSA-N	-1	0	466.925	3.706	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NC[C@@H]5CCCO5)cc4)c3=O)c2c1	ZINC000101497354	569800616	/nfs/dbraw/zinc/80/06/16/569800616.db2.gz	LWXKWJMDESTZRM-KRWDZBQOSA-N	-1	0	464.547	3.506	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Br)cc1OC	ZINC000101836702	569805986	/nfs/dbraw/zinc/80/59/86/569805986.db2.gz	WLBZADSYMQTYGO-QGZVFWFLSA-N	-1	0	499.321	3.899	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1cccc(Cl)c1	ZINC000101893055	569807446	/nfs/dbraw/zinc/80/74/46/569807446.db2.gz	UFKOLAAEPXZYBG-JKSUJKDBSA-N	-1	0	476.802	3.902	50	0		JHAARM
CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)c1	ZINC000101892833	569807447	/nfs/dbraw/zinc/80/74/47/569807447.db2.gz	ODAHHUPCAKVZBN-SJORKVTESA-N	-1	0	454.899	3.605	50	0		JHAARM
CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)c1	ZINC000101892828	569807454	/nfs/dbraw/zinc/80/74/54/569807454.db2.gz	ODAHHUPCAKVZBN-IRXDYDNUSA-N	-1	0	454.899	3.605	50	0		JHAARM
COc1cccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)c(C)o2)c1OC	ZINC000102479144	569813495	/nfs/dbraw/zinc/81/34/95/569813495.db2.gz	MJMQDPCFWIEHRG-RBUKOAKNSA-N	-1	0	481.896	3.814	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1	ZINC000040450403	569828354	/nfs/dbraw/zinc/82/83/54/569828354.db2.gz	RYTPCYKNMGTBIV-UHFFFAOYSA-N	-1	0	451.342	3.558	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1	ZINC000040450654	569828706	/nfs/dbraw/zinc/82/87/06/569828706.db2.gz	JETQWGIGKGMVJS-NSHDSACASA-N	-1	0	469.357	3.565	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O	ZINC000040450716	569828955	/nfs/dbraw/zinc/82/89/55/569828955.db2.gz	CPULQIQRJAODQT-GFCCVEGCSA-N	-1	0	453.358	3.864	50	0		JHAARM
COc1cc(OC)cc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])c1	ZINC000225498240	570000054	/nfs/dbraw/zinc/00/00/54/570000054.db2.gz	ZVBSVSLXWKWXMX-HXUWFJFHSA-N	-1	0	456.495	3.654	50	0		JHAARM
COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(NC(C)=O)cc4)[C@@H]3C2=O)cc1	ZINC000230035499	570043777	/nfs/dbraw/zinc/04/37/77/570043777.db2.gz	DSHAQGUAJNATGI-RBZQAINGSA-N	-1	0	457.486	3.705	50	0		JHAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245257870	570060706	/nfs/dbraw/zinc/06/07/06/570060706.db2.gz	FVOVJCMDSUYMEV-QBDZZYRMSA-N	-1	0	498.626	3.555	50	0		JHAARM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@](C)(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-])C(C)C	ZINC000253388034	570095375	/nfs/dbraw/zinc/09/53/75/570095375.db2.gz	AQOHICYLWWFGDN-YBNOXGBJSA-N	-1	0	468.660	3.510	50	0	biogenic	JHAARM
O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCCc1ccc(O)cc1	ZINC000253470543	570099041	/nfs/dbraw/zinc/09/90/41/570099041.db2.gz	FKDQCCJWXLJPAH-FQEVSTJZSA-N	-1	0	473.481	3.814	50	0		JHAARM
COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2F)c2c([O-])cc(C)oc2=O)c(OC)c2c1OCO2	ZINC000253471396	570099318	/nfs/dbraw/zinc/09/93/18/570099318.db2.gz	QVZNLQWAFMDWJC-CYBMUJFWSA-N	-1	0	489.427	3.839	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000253488059	570099983	/nfs/dbraw/zinc/09/99/83/570099983.db2.gz	WEDOAJAGPMLNBD-QNDJGXFYSA-N	-1	0	478.615	3.566	50	0		JHAARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CC3(CCCC3)C2=O)c(Cl)c1	ZINC000001048479	194009336	/nfs/dbraw/zinc/00/93/36/194009336.db2.gz	QZUNPUSHCMPWQQ-UHFFFAOYSA-N	-1	0	482.967	3.813	50	0		JHAARM
CN(c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3)c2)c1)S(C)(=O)=O	ZINC000001076873	194018521	/nfs/dbraw/zinc/01/85/21/194018521.db2.gz	YSBLGAZXMRHMRC-UHFFFAOYSA-N	-1	0	493.994	3.789	50	0		JHAARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCc1ccc(F)cc1	ZINC000001145559	194047266	/nfs/dbraw/zinc/04/72/66/194047266.db2.gz	BEBAIBZOZSDFBE-OVCLIPMQSA-N	-1	0	482.249	3.588	50	0		JHAARM
Cc1cc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1	ZINC000001139178	194043639	/nfs/dbraw/zinc/04/36/39/194043639.db2.gz	BUWQPMZQGUJZDV-UHFFFAOYSA-N	-1	0	454.552	3.837	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000001166608	194058041	/nfs/dbraw/zinc/05/80/41/194058041.db2.gz	FVUBFMUSAQXBNA-UHFFFAOYSA-N	-1	0	492.575	3.622	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccco1	ZINC000002973906	194190236	/nfs/dbraw/zinc/19/02/36/194190236.db2.gz	QJFARHGKIDDVHK-UHFFFAOYSA-N	-1	0	450.358	3.918	50	0		JHAARM
CN(c1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000003256884	194253638	/nfs/dbraw/zinc/25/36/38/194253638.db2.gz	IGZKYNTVSVRGIE-UHFFFAOYSA-N	-1	0	474.922	3.881	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)n1	ZINC000003276175	194260257	/nfs/dbraw/zinc/26/02/57/194260257.db2.gz	FFSWXVQAJRFZOG-UHFFFAOYSA-N	-1	0	474.608	3.929	50	0		JHAARM
O=S(=O)([N-]c1nc2cc3c(cc2nc1N1CCCCCCC1)OCCO3)c1ccccc1	ZINC000003325969	194283211	/nfs/dbraw/zinc/28/32/11/194283211.db2.gz	LLYOAPQDWMSQKO-UHFFFAOYSA-N	-1	0	454.552	3.972	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(OC)c2)ccc1C	ZINC000003393264	194311629	/nfs/dbraw/zinc/31/16/29/194311629.db2.gz	QBUTZJSDEXLHGL-UHFFFAOYSA-N	-1	0	484.574	3.794	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1	ZINC000004529170	194391498	/nfs/dbraw/zinc/39/14/98/194391498.db2.gz	YKYDMBIPDRBPLF-AWEZNQCLSA-N	-1	0	487.559	3.691	50	0		JHAARM
CCOC(=O)C1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000009335535	194696753	/nfs/dbraw/zinc/69/67/53/194696753.db2.gz	MYPSLQJECLBMRF-UHFFFAOYSA-N	-1	0	474.970	3.864	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N(C)CCOc2ccccc2)cc1	ZINC000009439428	194784986	/nfs/dbraw/zinc/78/49/86/194784986.db2.gz	KGPDZCYVUHJTCK-UHFFFAOYSA-N	-1	0	491.573	3.904	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000012620632	195056648	/nfs/dbraw/zinc/05/66/48/195056648.db2.gz	KSFDBKDTUOVHMQ-HNNXBMFYSA-N	-1	0	474.970	3.864	50	0		JHAARM
COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1OC	ZINC000020719714	195206229	/nfs/dbraw/zinc/20/62/29/195206229.db2.gz	UQZVYJFDPMLKGZ-IBGZPJMESA-N	-1	0	465.531	3.663	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c2=O)c(C)c1	ZINC000020861031	195233497	/nfs/dbraw/zinc/23/34/97/195233497.db2.gz	ZPBWEMOLEXDVSH-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
C[C@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C[C@H](C)O1	ZINC000021060593	195273463	/nfs/dbraw/zinc/27/34/63/195273463.db2.gz	KJSJELKVROBGQZ-HOTGVXAUSA-N	-1	0	498.020	3.898	50	0		JHAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)Nc1ccccc1	ZINC000021225579	195291795	/nfs/dbraw/zinc/29/17/95/195291795.db2.gz	IXCMAVFLZFOVHY-CQSZACIVSA-N	-1	0	460.458	3.950	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1Cl	ZINC000102823596	130316318	/nfs/dbraw/zinc/31/63/18/130316318.db2.gz	WNKRCQATYBFJBF-UHFFFAOYSA-N	-1	0	485.949	3.792	50	0		JHAARM
CC(C)C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000002270923	519382294	/nfs/dbraw/zinc/38/22/94/519382294.db2.gz	JGPHPGOLTQZHFB-LJLZWOEMSA-N	-1	0	459.340	3.836	50	0		JHAARM
CC(C)Sc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Br)cc1)n(C)c(=O)n2C	ZINC000045941041	519787851	/nfs/dbraw/zinc/78/78/51/519787851.db2.gz	RIOCOAGYZAWKBV-UHFFFAOYSA-N	-1	0	470.414	3.941	50	0		JHAARM
CCCNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4c(C)nn(C)c4C)ccc3n2C)cc1	ZINC000033277041	519898385	/nfs/dbraw/zinc/89/83/85/519898385.db2.gz	SUASRDGZLGCWQM-UHFFFAOYSA-N	-1	0	480.594	3.531	50	0		JHAARM
CCOC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@H]1c1ccc(OCCC(=O)[O-])cc1	ZINC000040152393	520479928	/nfs/dbraw/zinc/47/99/28/520479928.db2.gz	XNVULAQKGPCRLR-NRFANRHFSA-N	-1	0	458.511	3.952	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(NC)c([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000012521232	520803353	/nfs/dbraw/zinc/80/33/53/520803353.db2.gz	UZOUUPMCJVPXPX-UHFFFAOYSA-N	-1	0	465.519	3.578	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)c(Cl)c2)CC1	ZINC000022627000	520960084	/nfs/dbraw/zinc/96/00/84/520960084.db2.gz	ITVVQYYKGPTGMY-HNNXBMFYSA-N	-1	0	470.382	3.975	50	0		JHAARM
CCS(=O)(=O)N1CCC[C@H](c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)C1	ZINC000002730143	521663991	/nfs/dbraw/zinc/66/39/91/521663991.db2.gz	BNLCFDHCNHUCJK-ZDUSSCGKSA-N	-1	0	485.010	3.848	50	0		JHAARM
CC[C@@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2C(=O)OC)C1	ZINC000012327207	521938233	/nfs/dbraw/zinc/93/82/33/521938233.db2.gz	ODEMQIIYOBUIPK-GFCCVEGCSA-N	-1	0	486.562	3.935	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)c1)NC(=O)CCC2=O	ZINC000033276760	522706669	/nfs/dbraw/zinc/70/66/69/522706669.db2.gz	WIGDGAILACVSIL-UHFFFAOYSA-N	-1	0	498.561	3.611	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000033123211	523076390	/nfs/dbraw/zinc/07/63/90/523076390.db2.gz	SRVKSINNIRSBER-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])c1C	ZINC000033253795	523633693	/nfs/dbraw/zinc/63/36/93/523633693.db2.gz	UZJZRCMLWAECCI-UHFFFAOYSA-N	-1	0	492.548	3.976	50	0		JHAARM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)c1C	ZINC000014245955	524190577	/nfs/dbraw/zinc/19/05/77/524190577.db2.gz	QMKRJTBCRCKCRH-UHFFFAOYSA-N	-1	0	457.548	3.789	50	0		JHAARM
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)n1nc(-c2ccc(F)cc2)ccc1=O	ZINC000044391920	524260199	/nfs/dbraw/zinc/26/01/99/524260199.db2.gz	VUURJXCKWFARDK-AWEZNQCLSA-N	-1	0	499.549	3.506	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1C	ZINC000033274130	524324902	/nfs/dbraw/zinc/32/49/02/524324902.db2.gz	NWLLECKTKGJYLH-UHFFFAOYSA-N	-1	0	479.558	3.756	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1	ZINC000012508046	524646772	/nfs/dbraw/zinc/64/67/72/524646772.db2.gz	CTCBDKCGOIWPHA-UHFFFAOYSA-N	-1	0	469.519	3.715	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CCC4)cc3)nc2)c1	ZINC000033139507	524878752	/nfs/dbraw/zinc/87/87/52/524878752.db2.gz	FNKUAJKXYPBTJN-UHFFFAOYSA-N	-1	0	483.546	3.974	50	0		JHAARM
Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cc(Cl)ccc2OCC(=O)[O-])cc1C	ZINC000016312394	525021401	/nfs/dbraw/zinc/02/14/01/525021401.db2.gz	FJAABSPVCFJIFI-FQEVSTJZSA-N	-1	0	459.955	3.852	50	0		JHAARM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(Br)cc(Cl)c3[O-])C2=O)cc1	ZINC000016192522	525048789	/nfs/dbraw/zinc/04/87/89/525048789.db2.gz	NXYBDCJIBZQCOE-CHHVJCJISA-N	-1	0	464.703	3.648	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N(C)CCCc2c(C)nn(C)c2C)cc1	ZINC000033254072	525078153	/nfs/dbraw/zinc/07/81/53/525078153.db2.gz	DVVPOGJMPBNQHW-UHFFFAOYSA-N	-1	0	486.594	3.614	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1	ZINC000033006894	525082860	/nfs/dbraw/zinc/08/28/60/525082860.db2.gz	SWZGHBQVAZBMKU-UHFFFAOYSA-N	-1	0	467.547	3.521	50	0		JHAARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccccc1I	ZINC000016200184	525463305	/nfs/dbraw/zinc/46/33/05/525463305.db2.gz	HQTWHMAPGRAUJF-UHFFFAOYSA-N	-1	0	465.266	3.789	50	0		JHAARM
Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12	ZINC000029580206	526289672	/nfs/dbraw/zinc/28/96/72/526289672.db2.gz	YFXQZEHEIGJTNA-VWLOTQADSA-N	-1	0	473.558	3.875	50	0		JHAARM
O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)cc1	ZINC000002913315	526377362	/nfs/dbraw/zinc/37/73/62/526377362.db2.gz	AQSRCLZLGCDJCT-INIZCTEOSA-N	-1	0	476.769	3.563	50	0		JHAARM
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1	ZINC000008636555	526579347	/nfs/dbraw/zinc/57/93/47/526579347.db2.gz	PTCAAHDRELWIAM-UHFFFAOYSA-N	-1	0	457.624	3.540	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1)c1ccc[nH]1	ZINC000009633875	526916314	/nfs/dbraw/zinc/91/63/14/526916314.db2.gz	YVOUMMQUSHLBEL-UHFFFAOYSA-N	-1	0	469.338	3.679	50	0		JHAARM
Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000000655868	553736154	/nfs/dbraw/zinc/73/61/54/553736154.db2.gz	ZRLHKNOHRGVROQ-UHFFFAOYSA-N	-1	0	476.562	3.949	50	0		JHAARM
CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000000947478	553879596	/nfs/dbraw/zinc/87/95/96/553879596.db2.gz	LAYRVVOGAJJYEY-VGOFMYFVSA-N	-1	0	452.536	3.945	50	0		JHAARM
O=C([O-])[C@@H]1Sc2c(sc(=O)n2Cc2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@H]12	ZINC000001440370	553972735	/nfs/dbraw/zinc/97/27/35/553972735.db2.gz	YFCDOHBPQXKUCG-HLLBOEOZSA-N	-1	0	459.932	3.838	50	0		JHAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000002091484	554034749	/nfs/dbraw/zinc/03/47/49/554034749.db2.gz	IXQHPAYCHWBNKN-NRFANRHFSA-N	-1	0	462.502	3.726	50	0	biogenic	JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)c1	ZINC000002616739	554241631	/nfs/dbraw/zinc/24/16/31/554241631.db2.gz	QVJWZGZZWXSDQO-UHFFFAOYSA-N	-1	0	496.541	3.937	50	0		JHAARM
CCS(=O)(=O)N1CCC(c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)CC1	ZINC000002732198	554316312	/nfs/dbraw/zinc/31/63/12/554316312.db2.gz	KCQPWJGMRBKLPD-UHFFFAOYSA-N	-1	0	467.020	3.709	50	0		JHAARM
CCS(=O)(=O)N1CCC[C@H](c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)C1	ZINC000002732272	554316369	/nfs/dbraw/zinc/31/63/69/554316369.db2.gz	JNCYXCMRGWCEIA-HNNXBMFYSA-N	-1	0	467.020	3.709	50	0		JHAARM
O=C([O-])c1ccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCCC3)c2)cc1	ZINC000002811629	554360552	/nfs/dbraw/zinc/36/05/52/554360552.db2.gz	PBNCKLKFDFMLIX-UHFFFAOYSA-N	-1	0	481.368	3.964	50	0		JHAARM
Cc1ccc(C)c(N2CCN(C(=O)CCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)c1	ZINC000002975265	554414820	/nfs/dbraw/zinc/41/48/20/554414820.db2.gz	COLKKSSIWGXVIR-UHFFFAOYSA-N	-1	0	480.590	3.534	50	0		JHAARM
Cc1cccc(N2CCN(C(=O)CCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)c1C	ZINC000002975269	554415339	/nfs/dbraw/zinc/41/53/39/554415339.db2.gz	FCJRQMCRMRWABV-UHFFFAOYSA-N	-1	0	480.590	3.534	50	0		JHAARM
O=C([O-])c1ccccc1-c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)o1	ZINC000006549273	554550480	/nfs/dbraw/zinc/55/04/80/554550480.db2.gz	NMLOLMOZTQCQJF-PXNMLYILSA-N	-1	0	468.288	3.573	50	0		JHAARM
COc1ccc(OC)c([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])c1	ZINC000006924648	554561987	/nfs/dbraw/zinc/56/19/87/554561987.db2.gz	LLBRVGCPAZKSJT-LJQANCHMSA-N	-1	0	456.495	3.654	50	0		JHAARM
CC[C@@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000008738524	554640111	/nfs/dbraw/zinc/64/01/11/554640111.db2.gz	YDBSSKJJBVKTAB-LQJIQPLVSA-N	-1	0	460.575	3.859	50	0	biogenic	JHAARM
Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(S(=O)(=O)c2ccc(C)cc2)CC3)s1	ZINC000008839996	554740136	/nfs/dbraw/zinc/74/01/36/554740136.db2.gz	DEJNIODJGIAPJI-UHFFFAOYSA-N	-1	0	462.618	3.913	50	0		JHAARM
Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)[N-]N3C(=O)NC4(CCC(C)CC4)C3=O)cc12	ZINC000008965895	554841247	/nfs/dbraw/zinc/84/12/47/554841247.db2.gz	FWGMXYPFATVTLQ-UHFFFAOYSA-N	-1	0	455.515	3.680	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C	ZINC000009226090	554998819	/nfs/dbraw/zinc/99/88/19/554998819.db2.gz	GKKGFNPJTXICJI-UHFFFAOYSA-N	-1	0	471.922	3.649	50	0		JHAARM
COC(=O)c1c(=O)c2ccc(Cl)cc2[n-]c1SCC(=O)Nc1ccc(OC)c(OC)c1	ZINC000009300235	555073935	/nfs/dbraw/zinc/07/39/35/555073935.db2.gz	TXTPEOPAEUQHMK-UHFFFAOYSA-N	-1	0	462.911	3.716	50	0		JHAARM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(I)c2)N1	ZINC000009311702	555088321	/nfs/dbraw/zinc/08/83/21/555088321.db2.gz	CMKRHMLCJIRIBL-ZSOIEALJSA-N	-1	0	499.102	3.813	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ccc(F)cc2)CC1	ZINC000009434326	555205338	/nfs/dbraw/zinc/20/53/38/555205338.db2.gz	CYBYUGBUOAHEQK-UHFFFAOYSA-N	-1	0	498.580	3.836	50	0		JHAARM
Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccc(Cl)s3)n2CC(=O)[O-])cc1	ZINC000009501465	555285974	/nfs/dbraw/zinc/28/59/74/555285974.db2.gz	OMETWISCHFIKFH-UHFFFAOYSA-N	-1	0	450.973	3.804	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)c2)on1	ZINC000009637824	555345914	/nfs/dbraw/zinc/34/59/14/555345914.db2.gz	JWGYGHCZGVHOAO-UHFFFAOYSA-N	-1	0	466.899	3.990	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2sc3c(c21)CCC3	ZINC000013416269	555397204	/nfs/dbraw/zinc/39/72/04/555397204.db2.gz	UUBGLRFQXIPJLW-MRXNPFEDSA-N	-1	0	452.561	3.566	50	0		JHAARM
O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1	ZINC000009609770	555438718	/nfs/dbraw/zinc/43/87/18/555438718.db2.gz	OPIDLYDSYKFAHL-UHFFFAOYSA-N	-1	0	475.954	3.500	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1	ZINC000009715056	555446144	/nfs/dbraw/zinc/44/61/44/555446144.db2.gz	AEGXEZRDQUCLNB-UHFFFAOYSA-N	-1	0	451.504	3.512	50	0		JHAARM
Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000009715614	555447928	/nfs/dbraw/zinc/44/79/28/555447928.db2.gz	UUULMRACJQVRSP-UHFFFAOYSA-N	-1	0	493.545	3.642	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(C)cc2)ccc1N1CCOCC1	ZINC000009631763	555461415	/nfs/dbraw/zinc/46/14/15/555461415.db2.gz	VWTDFEMAFVRTGH-UHFFFAOYSA-N	-1	0	481.574	3.893	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009739346	555470865	/nfs/dbraw/zinc/47/08/65/555470865.db2.gz	ZFQIYXCBIGXUDU-UHFFFAOYSA-N	-1	0	454.476	3.575	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000013518948	555485600	/nfs/dbraw/zinc/48/56/00/555485600.db2.gz	RZFQZXGCYVBPPB-ZDUSSCGKSA-N	-1	0	476.967	3.589	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc(Br)c3)cs2)cc1	ZINC000009828650	555526454	/nfs/dbraw/zinc/52/64/54/555526454.db2.gz	OVDHIRPDUXMRBY-UHFFFAOYSA-N	-1	0	482.381	3.896	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc1	ZINC000009828617	555526535	/nfs/dbraw/zinc/52/65/35/555526535.db2.gz	LOGDKVOVYUQFQC-UHFFFAOYSA-N	-1	0	458.565	3.700	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3nc2Nc2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000009858096	555559626	/nfs/dbraw/zinc/55/96/26/555559626.db2.gz	OSHURJUGGJBOQO-UHFFFAOYSA-N	-1	0	488.573	3.981	50	0		JHAARM
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000020038414	555612491	/nfs/dbraw/zinc/61/24/91/555612491.db2.gz	QUPOGSINIJVSJZ-JCHYSQADSA-N	-1	0	483.524	3.760	50	0	biogenic	JHAARM
COc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)c1	ZINC000010272556	555666781	/nfs/dbraw/zinc/66/67/81/555666781.db2.gz	ZTRJHXWUBUPEBT-UHFFFAOYSA-N	-1	0	487.603	3.640	50	0		JHAARM
O=S(=O)([N-]c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1cc(F)cc(F)c1	ZINC000014245824	555748498	/nfs/dbraw/zinc/74/84/98/555748498.db2.gz	UZVKSUQHBZPVPP-UHFFFAOYSA-N	-1	0	450.916	3.594	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)cc1C	ZINC000020355867	555784911	/nfs/dbraw/zinc/78/49/11/555784911.db2.gz	RBCUNLTUEMNLIB-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1	ZINC000020355899	555784975	/nfs/dbraw/zinc/78/49/75/555784975.db2.gz	FOTHNINWJYKGHQ-UHFFFAOYSA-N	-1	0	471.604	3.939	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)s1	ZINC000020560508	555811353	/nfs/dbraw/zinc/81/13/53/555811353.db2.gz	QLECLBFAQLFROB-UHFFFAOYSA-N	-1	0	483.449	3.639	50	0		JHAARM
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1	ZINC000020562613	555813933	/nfs/dbraw/zinc/81/39/33/555813933.db2.gz	IEVMCWZJCFFHPB-PVAVHDDUSA-N	-1	0	453.564	3.803	50	0		JHAARM
C[C@H](OCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1	ZINC000015372777	555901289	/nfs/dbraw/zinc/90/12/89/555901289.db2.gz	QHQBVXLYSLWBNP-KRWDZBQOSA-N	-1	0	494.573	3.555	50	0		JHAARM
C[C@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1	ZINC000015534080	555913449	/nfs/dbraw/zinc/91/34/49/555913449.db2.gz	FIJKHSNEXBZVKR-QGZVFWFLSA-N	-1	0	452.532	3.792	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012139931	555916532	/nfs/dbraw/zinc/91/65/32/555916532.db2.gz	UDYDMJVXEOHVTJ-OGHNNQOOSA-N	-1	0	450.385	3.796	50	0		JHAARM
CC[C@@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3cccc(C)c3)c2C(=O)OC)C1	ZINC000012151605	555924427	/nfs/dbraw/zinc/92/44/27/555924427.db2.gz	LOHZTFLZWNBKMN-CQSZACIVSA-N	-1	0	450.582	3.575	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)c1ccc(F)cc1)CC2	ZINC000012158959	555929573	/nfs/dbraw/zinc/92/95/73/555929573.db2.gz	URGLFLLIBQDHKX-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
CC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1	ZINC000022852001	555958898	/nfs/dbraw/zinc/95/88/98/555958898.db2.gz	QSISVOZPUIDHIQ-QGZVFWFLSA-N	-1	0	457.943	3.663	50	0		JHAARM
[O-]c1c([C@@H](c2ccc(Br)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12	ZINC000022852088	555959186	/nfs/dbraw/zinc/95/91/86/555959186.db2.gz	SIFVSOCWLVYJOI-OAHLLOKOSA-N	-1	0	461.341	3.941	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000022853827	555960560	/nfs/dbraw/zinc/96/05/60/555960560.db2.gz	XPZBEQCREOTUIF-OAHLLOKOSA-N	-1	0	454.383	3.652	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCN(CC)CC3)c([O-])n2n1	ZINC000022854451	555960921	/nfs/dbraw/zinc/96/09/21/555960921.db2.gz	XVMMCMDIXNSDSF-MRXNPFEDSA-N	-1	0	450.406	3.548	50	0		JHAARM
CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000015729183	555969641	/nfs/dbraw/zinc/96/96/41/555969641.db2.gz	VYHHILKOROCIHN-AWEZNQCLSA-N	-1	0	465.535	3.833	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc21	ZINC000015781411	556000408	/nfs/dbraw/zinc/00/04/08/556000408.db2.gz	VCWZBAZWSPLPIP-UHFFFAOYSA-N	-1	0	452.598	3.605	50	0		JHAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1OC	ZINC000023157128	556025520	/nfs/dbraw/zinc/02/55/20/556025520.db2.gz	GQMFTJYCXPQRGV-OAQYLSRUSA-N	-1	0	483.569	3.873	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1	ZINC000012548571	556026836	/nfs/dbraw/zinc/02/68/36/556026836.db2.gz	DLUTZUAELYIVHD-INIZCTEOSA-N	-1	0	456.520	3.916	50	0		JHAARM
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000015880081	556051812	/nfs/dbraw/zinc/05/18/12/556051812.db2.gz	OHKSYEYKIBCUJX-HMAPJEAMSA-N	-1	0	485.496	3.804	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1	ZINC000015882221	556055575	/nfs/dbraw/zinc/05/55/75/556055575.db2.gz	HZQQEJUFCIDHFB-UHFFFAOYSA-N	-1	0	454.552	3.952	50	0		JHAARM
C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1	ZINC000024750978	556149310	/nfs/dbraw/zinc/14/93/10/556149310.db2.gz	UKYCNFDFYIMOHY-KSSFIOAISA-N	-1	0	480.546	3.646	50	0		JHAARM
CC(C)C[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000017044941	556210676	/nfs/dbraw/zinc/21/06/76/556210676.db2.gz	SKMDVYIUSMYINZ-HBFSDRIKSA-N	-1	0	460.575	3.859	50	0		JHAARM
Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135463	556221613	/nfs/dbraw/zinc/22/16/13/556221613.db2.gz	ZBUCLZQWLZIRTF-UHFFFAOYSA-N	-1	0	483.532	3.958	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccccc1F	ZINC000017177844	556232451	/nfs/dbraw/zinc/23/24/51/556232451.db2.gz	KARJXXIRUMJJBL-UHFFFAOYSA-N	-1	0	452.554	3.830	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)CC1	ZINC000027746372	556305344	/nfs/dbraw/zinc/30/53/44/556305344.db2.gz	FTSWGXYICHLEOT-UHFFFAOYSA-N	-1	0	495.601	3.775	50	0		JHAARM
CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)C1=O	ZINC000018206392	556309605	/nfs/dbraw/zinc/30/96/05/556309605.db2.gz	UMSGKXNGFQQPBG-RUZDIDTESA-N	-1	0	473.558	3.957	50	0		JHAARM
O=C([O-])c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000013114316	556318786	/nfs/dbraw/zinc/31/87/86/556318786.db2.gz	AVLJVGUMGXHMEF-UHFFFAOYSA-N	-1	0	457.335	3.731	50	0		JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c1	ZINC000028635817	556338635	/nfs/dbraw/zinc/33/86/35/556338635.db2.gz	YDEFNUCDVHENJU-UHFFFAOYSA-N	-1	0	465.531	3.753	50	0		JHAARM
COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4ccc(CO)cc42)CC3)cc1OC	ZINC000031816481	556407528	/nfs/dbraw/zinc/40/75/28/556407528.db2.gz	GKHYRYBLILDQHG-HSZRJFAPSA-N	-1	0	479.558	3.985	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c1	ZINC000032961881	556579329	/nfs/dbraw/zinc/57/93/29/556579329.db2.gz	SBSJAIYEZQXIEB-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@@H]43)C2=O)cc1	ZINC000008694601	569593330	/nfs/dbraw/zinc/59/33/30/569593330.db2.gz	XBXBRAGULDMOJL-AUSIDOKSSA-N	-1	0	473.451	3.898	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CSCc2nc3ccccc3[nH]2)c1	ZINC000008725250	569600101	/nfs/dbraw/zinc/60/01/01/569600101.db2.gz	HQSSWFFKTGKEJE-UHFFFAOYSA-N	-1	0	498.586	3.950	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000032975725	569606303	/nfs/dbraw/zinc/60/63/03/569606303.db2.gz	DVMJPGJBKMLBGC-RTBURBONSA-N	-1	0	456.564	3.788	50	0		JHAARM
COc1cc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc1OC	ZINC000061720141	569609082	/nfs/dbraw/zinc/60/90/82/569609082.db2.gz	QRFGRPGKESQDCW-OAHLLOKOSA-N	-1	0	458.417	3.954	50	0		JHAARM
O=C([O-])c1cc(N2CCN(c3ccccn3)CC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000033006924	569615020	/nfs/dbraw/zinc/61/50/20/569615020.db2.gz	FSYYXDUNSWOAPB-UHFFFAOYSA-N	-1	0	472.954	3.561	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1	ZINC000033006945	569615073	/nfs/dbraw/zinc/61/50/73/569615073.db2.gz	PWVJFYLMIZEILT-UHFFFAOYSA-N	-1	0	451.548	3.821	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1	ZINC000033007183	569615466	/nfs/dbraw/zinc/61/54/66/569615466.db2.gz	XBLWZPZALDTYNC-CQSZACIVSA-N	-1	0	466.943	3.619	50	0		JHAARM
CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cc(C)ccc3NC(C)=O)cc2OC)s1	ZINC000033007904	569615862	/nfs/dbraw/zinc/61/58/62/569615862.db2.gz	KSVAGKBIAMFFRT-UHFFFAOYSA-N	-1	0	462.553	3.721	50	0		JHAARM
COc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccc(F)cc2)n(C)c(=O)n3C)c1	ZINC000064580866	569620731	/nfs/dbraw/zinc/62/07/31/569620731.db2.gz	AKSMDAQSWHWMMG-UHFFFAOYSA-N	-1	0	473.551	3.977	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1NC(=O)c1ccccc1F	ZINC000064589543	569620964	/nfs/dbraw/zinc/62/09/64/569620964.db2.gz	HAYGKNZAEXXZNS-UHFFFAOYSA-N	-1	0	494.498	3.676	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2SCc2cc(=O)n3ccccc3n2)c1	ZINC000033026357	569621117	/nfs/dbraw/zinc/62/11/17/569621117.db2.gz	JZLXSPQIODHYKC-UHFFFAOYSA-N	-1	0	483.571	3.805	50	0		JHAARM
CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)[n-]c1=O	ZINC000064774556	569626679	/nfs/dbraw/zinc/62/66/79/569626679.db2.gz	BXBBZTXFPNVGKE-UHFFFAOYSA-N	-1	0	459.478	3.848	50	0		JHAARM
COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OCC(N)=O	ZINC000064797790	569630489	/nfs/dbraw/zinc/63/04/89/569630489.db2.gz	CWNWTQTZIWBPIF-AWEZNQCLSA-N	-1	0	470.478	3.599	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CC3)c2)c1	ZINC000065059895	569655215	/nfs/dbraw/zinc/65/52/15/569655215.db2.gz	NJKPPKYPYMVJFN-UHFFFAOYSA-N	-1	0	469.519	3.584	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)ccc1OCC(C)C	ZINC000034767280	569658716	/nfs/dbraw/zinc/65/87/16/569658716.db2.gz	CHXNPTJPJKJGPN-UHFFFAOYSA-N	-1	0	464.566	3.969	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1	ZINC000065097463	569661117	/nfs/dbraw/zinc/66/11/17/569661117.db2.gz	APDBKHQIYZNCMA-UHFFFAOYSA-N	-1	0	492.579	3.632	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(OC)c1	ZINC000035377877	569685304	/nfs/dbraw/zinc/68/53/04/569685304.db2.gz	LEZLJEPDDIBGMN-GOSISDBHSA-N	-1	0	453.524	3.721	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2OC)[n-]c1=O	ZINC000035378062	569685821	/nfs/dbraw/zinc/68/58/21/569685821.db2.gz	GQVQCZIBIQMIJS-UHFFFAOYSA-N	-1	0	473.942	3.986	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2)[n-]c1=O	ZINC000035378022	569685874	/nfs/dbraw/zinc/68/58/74/569685874.db2.gz	OSCBGRMGQYNOFA-CYBMUJFWSA-N	-1	0	453.524	3.721	50	0		JHAARM
COc1ccc(-c2n[nH]cc2[C@@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)cc1	ZINC000071785009	569698269	/nfs/dbraw/zinc/69/82/69/569698269.db2.gz	OWIKYCJXOOODFK-KRWDZBQOSA-N	-1	0	461.503	3.579	50	0		JHAARM
CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C	ZINC000072191486	569699821	/nfs/dbraw/zinc/69/98/21/569699821.db2.gz	AVOBCHIINBLGSP-UHFFFAOYSA-N	-1	0	456.524	3.530	50	0		JHAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2	ZINC000035587827	569705003	/nfs/dbraw/zinc/70/50/03/569705003.db2.gz	DQGBMGDMBJVOQA-UHFFFAOYSA-N	-1	0	494.541	3.916	50	0		JHAARM
CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)C(=O)NCC(=O)[O-])cc1	ZINC000083261998	569708263	/nfs/dbraw/zinc/70/82/63/569708263.db2.gz	KFICXNFMUSPPMO-PDGQHHTCSA-N	-1	0	459.340	3.718	50	0		JHAARM
COc1ccc(-n2[n-]c(C(C)C)c(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2=O)cc1	ZINC000035836768	569713484	/nfs/dbraw/zinc/71/34/84/569713484.db2.gz	BTHHCJWQLUWAEO-NDENLUEZSA-N	-1	0	450.470	3.942	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(F)cc1C	ZINC000085653423	569714264	/nfs/dbraw/zinc/71/42/64/569714264.db2.gz	XCYDDNJPYFDCOE-UHFFFAOYSA-N	-1	0	484.509	3.761	50	0		JHAARM
COc1ccccc1NC(=O)N1CCC(CNC(=O)C[C@@H](CC(=O)[O-])c2cccs2)CC1	ZINC000090607350	569721175	/nfs/dbraw/zinc/72/11/75/569721175.db2.gz	WDYLDKOGZUDWEJ-KRWDZBQOSA-N	-1	0	459.568	3.765	50	0		JHAARM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@@H](c3cnn5cccnc35)CC(=O)O4)c2=O)cc1	ZINC000095474851	569724141	/nfs/dbraw/zinc/72/41/41/569724141.db2.gz	UUMACTMJQLJPCJ-OAHLLOKOSA-N	-1	0	455.426	3.658	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Br)cc4)c=3c2=O)cc1	ZINC000098212481	569751017	/nfs/dbraw/zinc/75/10/17/569751017.db2.gz	KNOBJBFPBOCMOO-OALUTQOASA-N	-1	0	470.327	3.504	50	0		JHAARM
O=C([O-])c1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(Cc4ccccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036353235	569771427	/nfs/dbraw/zinc/77/14/27/569771427.db2.gz	RFLWBVUGGUFOSG-AREMUKBSSA-N	-1	0	484.556	3.726	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3ccncc3)CC1)cn2Cc1ccccc1	ZINC000036353677	569771521	/nfs/dbraw/zinc/77/15/21/569771521.db2.gz	KFEPFILQNGACMK-SANMLTNESA-N	-1	0	484.556	3.726	50	0		JHAARM
CC(=O)N1CCc2cc(C(=O)Nc3ncc(C([O-])(C(F)(F)F)C(F)(F)F)s3)ccc21	ZINC000036395356	569774914	/nfs/dbraw/zinc/77/49/14/569774914.db2.gz	AUOAJDNWBGPFDP-UHFFFAOYSA-N	-1	0	453.364	3.617	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)cc1	ZINC000100911693	569775346	/nfs/dbraw/zinc/77/53/46/569775346.db2.gz	BHNXZLQXACHZLV-WCWDXBQESA-N	-1	0	481.555	3.819	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(Br)cc5)c(=O)c3=4)n2)cc1C	ZINC000101076266	569781662	/nfs/dbraw/zinc/78/16/62/569781662.db2.gz	BYNUUSRVVUVWSW-ZWKOTPCHSA-N	-1	0	481.310	3.609	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1C	ZINC000101277499	569788918	/nfs/dbraw/zinc/78/89/18/569788918.db2.gz	XUFXXRQDOCVPDC-RBUKOAKNSA-N	-1	0	450.886	3.809	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)C(=C(NCc3cccc(F)c3)Nc3ccccc3)C2=O)cc1	ZINC000101382270	569795374	/nfs/dbraw/zinc/79/53/74/569795374.db2.gz	AJPNZBRNEQDPEL-DQRAZIAOSA-N	-1	0	460.465	3.531	50	0		JHAARM
CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@@H]1c1ccc(Cl)cc1	ZINC000101765478	569804489	/nfs/dbraw/zinc/80/44/89/569804489.db2.gz	REZQQDQJBCAZJI-LJQANCHMSA-N	-1	0	466.925	3.589	50	0		JHAARM
COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Br)c1	ZINC000101836766	569806019	/nfs/dbraw/zinc/80/60/19/569806019.db2.gz	DBVPJVNGGBIRSY-GOSISDBHSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1cccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Br)c1	ZINC000101836772	569806052	/nfs/dbraw/zinc/80/60/52/569806052.db2.gz	DBVPJVNGGBIRSY-SFHVURJKSA-N	-1	0	469.295	3.890	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101892638	569807356	/nfs/dbraw/zinc/80/73/56/569807356.db2.gz	YDWPBVCEEGASAL-MSOLQXFVSA-N	-1	0	486.410	3.648	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1OC	ZINC000101893387	569807577	/nfs/dbraw/zinc/80/75/77/569807577.db2.gz	OSKCRQXTSWXGFY-PMACEKPBSA-N	-1	0	496.911	3.599	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC	ZINC000102290309	569812155	/nfs/dbraw/zinc/81/21/55/569812155.db2.gz	LANUCGSDFRKLEF-HDICACEKSA-N	-1	0	472.563	3.570	50	0		JHAARM
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C(=O)[N-]C2=S)c(C)c1	ZINC000039930581	569812334	/nfs/dbraw/zinc/81/23/34/569812334.db2.gz	VVNZDDFELFDGIV-LDADJPATSA-N	-1	0	481.555	3.882	50	0		JHAARM
COCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1c(F)cccc1Cl	ZINC000039996833	569813475	/nfs/dbraw/zinc/81/34/75/569813475.db2.gz	RZSVWDNRXKAMJW-HXUWFJFHSA-N	-1	0	476.888	3.907	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)c1	ZINC000040450369	569828348	/nfs/dbraw/zinc/82/83/48/569828348.db2.gz	FVGJIYPKSYBIOQ-UHFFFAOYSA-N	-1	0	481.368	3.726	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1	ZINC000040450653	569828820	/nfs/dbraw/zinc/82/88/20/569828820.db2.gz	JETQWGIGKGMVJS-LLVKDONJSA-N	-1	0	469.357	3.565	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)c(C(=O)[O-])c2)CC1	ZINC000045967782	569841126	/nfs/dbraw/zinc/84/11/26/569841126.db2.gz	ZMGABMVZKIZYPG-UHFFFAOYSA-N	-1	0	476.327	3.678	50	0		JHAARM
COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)c(OC)c1	ZINC000049543371	569848450	/nfs/dbraw/zinc/84/84/50/569848450.db2.gz	GDAODPFHFSAVHW-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000218186521	569883007	/nfs/dbraw/zinc/88/30/07/569883007.db2.gz	VHTQXEBTXGUGPW-IBGZPJMESA-N	-1	0	454.479	3.633	50	0		JHAARM
COc1cc([C@@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)c(OC)c2c1OCO2	ZINC000253470797	570099211	/nfs/dbraw/zinc/09/92/11/570099211.db2.gz	FFJRZSAVPCNDHJ-OAHLLOKOSA-N	-1	0	471.437	3.700	50	0		JHAARM
COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2F)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253471559	570099403	/nfs/dbraw/zinc/09/94/03/570099403.db2.gz	VDBIEGAKINHLHT-CQSZACIVSA-N	-1	0	459.401	3.830	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1Cl	ZINC000000665486	193884867	/nfs/dbraw/zinc/88/48/67/193884867.db2.gz	AZBNFKYZDMLOCL-UHFFFAOYSA-N	-1	0	479.407	3.977	50	0		JHAARM
COC(=O)c1cc(OC)c(OC)c(OC)c1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000001042580	194008134	/nfs/dbraw/zinc/00/81/34/194008134.db2.gz	NCPOQTLBKTUOJF-UHFFFAOYSA-N	-1	0	450.296	3.607	50	0		JHAARM
Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccccc3)cc2)cc1OCC(N)=O	ZINC000001109894	194027019	/nfs/dbraw/zinc/02/70/19/194027019.db2.gz	CJMRNOWKYUCJBD-UHFFFAOYSA-N	-1	0	473.938	3.566	50	0		JHAARM
Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1	ZINC000001132549	194040101	/nfs/dbraw/zinc/04/01/01/194040101.db2.gz	IKQKHOFOUCKRNA-KRWDZBQOSA-N	-1	0	454.552	3.917	50	0		JHAARM
CCC(=O)N[C@H](Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(Cl)(Cl)Cl	ZINC000001449313	194123147	/nfs/dbraw/zinc/12/31/47/194123147.db2.gz	MMSMPPMQQXJKMM-LBPRGKRZSA-N	-1	0	457.792	3.578	50	0		JHAARM
CCc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000001786947	194140120	/nfs/dbraw/zinc/14/01/20/194140120.db2.gz	BMRBVRCSVFQNPL-FGZHOGPDSA-N	-1	0	461.470	3.723	50	0		JHAARM
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000001901601	194153963	/nfs/dbraw/zinc/15/39/63/194153963.db2.gz	CLMDJSODPIRAQF-JCAJYURWSA-N	-1	0	496.972	3.538	50	0		JHAARM
O=C([O-])CCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1Br	ZINC000002895488	194168095	/nfs/dbraw/zinc/16/80/95/194168095.db2.gz	IZXLOZOYCVLULX-SFQUDFHCSA-N	-1	0	465.731	3.854	50	0		JHAARM
O=C([O-])c1ccc(COc2ccc(C=C3SC(=O)NC3=O)cc2I)cc1	ZINC000002959287	194181056	/nfs/dbraw/zinc/18/10/56/194181056.db2.gz	GTHGZUHKLOOZHS-OVCLIPMQSA-N	-1	0	481.267	3.892	50	0		JHAARM
O=C([O-])C1CCN(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)CC1	ZINC000003291085	194267520	/nfs/dbraw/zinc/26/75/20/194267520.db2.gz	JKEMJNJYLCBTLX-UHFFFAOYSA-N	-1	0	471.966	3.514	50	0		JHAARM
O=C([O-])CCCCCC[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1NC[C@H](O)C1CCCCC1	ZINC000003782733	194361703	/nfs/dbraw/zinc/36/17/03/194361703.db2.gz	YZJVWSKJHGEIBL-YADHBBJMSA-N	-1	0	459.587	3.690	50	0	in-vitro	JHAARM
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1cc(OC)c(OC)c(OC)c1)N(C)C2=O	ZINC000003957635	194367198	/nfs/dbraw/zinc/36/71/98/194367198.db2.gz	OBPGELYTFSMDSQ-RTWAWAEBSA-N	-1	0	459.495	3.505	50	0		JHAARM
Cc1csc(NC(=O)[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2)n1	ZINC000004101281	194377632	/nfs/dbraw/zinc/37/76/32/194377632.db2.gz	NLXSMFJARMCGJM-AWEZNQCLSA-N	-1	0	472.411	3.934	50	0		JHAARM
COc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000004647635	194393588	/nfs/dbraw/zinc/39/35/88/194393588.db2.gz	BZMPVGJQVJLSGE-GOSISDBHSA-N	-1	0	494.569	3.939	50	0		JHAARM
CC(=O)Oc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)[O-])ccc4C)cc3C2=O)cc1	ZINC000009635663	194838950	/nfs/dbraw/zinc/83/89/50/194838950.db2.gz	KAUHDMQFNIIVGH-UHFFFAOYSA-N	-1	0	458.426	3.671	50	0		JHAARM
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccc(-c4nc5ccccc5s4)o3)C2=O)c1	ZINC000009950080	195033106	/nfs/dbraw/zinc/03/31/06/195033106.db2.gz	MZFNATQRPCXLJG-HSZRJFAPSA-N	-1	0	462.487	3.677	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)c1	ZINC000009957321	195037084	/nfs/dbraw/zinc/03/70/84/195037084.db2.gz	XYOKRQZNLSUABW-QGZVFWFLSA-N	-1	0	467.547	3.561	50	0		JHAARM
CC(C)OCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1	ZINC000012604835	195049747	/nfs/dbraw/zinc/04/97/47/195049747.db2.gz	GVLYCBQLGNYCQS-UHFFFAOYSA-N	-1	0	461.403	3.856	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1	ZINC000012631025	195063212	/nfs/dbraw/zinc/06/32/12/195063212.db2.gz	PHLILBAOCHHLNI-OAQYLSRUSA-N	-1	0	474.922	3.797	50	0		JHAARM
Cc1cc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)c(C)c1	ZINC000020860964	195233170	/nfs/dbraw/zinc/23/31/70/195233170.db2.gz	MRLSHOCRNCTYLO-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(OC)c(Cl)c2)c(=O)[n-]1	ZINC000020861018	195233636	/nfs/dbraw/zinc/23/36/36/195233636.db2.gz	XZTLKBHYHSJBDG-UHFFFAOYSA-N	-1	0	493.994	3.558	50	0		JHAARM
CCOCCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O	ZINC000058355069	195378160	/nfs/dbraw/zinc/37/81/60/195378160.db2.gz	RKWFKQWRNHDSAY-UHFFFAOYSA-N	-1	0	456.568	3.563	50	0		JHAARM
COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1OC	ZINC000021931682	195335328	/nfs/dbraw/zinc/33/53/28/195335328.db2.gz	HWIMJJLFGTWQHZ-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2CC)c(S(=O)(=O)NC(C)C)c1	ZINC000096317795	130062392	/nfs/dbraw/zinc/06/23/92/130062392.db2.gz	DAESNHAUBAKWIQ-UHFFFAOYSA-N	-1	0	480.587	3.763	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)c1	ZINC000065010823	518447012	/nfs/dbraw/zinc/44/70/12/518447012.db2.gz	LZSQDFLGVWASLH-UHFFFAOYSA-N	-1	0	470.547	3.834	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1ccccc1	ZINC000002489985	520489190	/nfs/dbraw/zinc/48/91/90/520489190.db2.gz	ZBYTYJRFDFKPIY-DDYRAIOVSA-N	-1	0	489.380	3.811	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000033253940	520584095	/nfs/dbraw/zinc/58/40/95/520584095.db2.gz	RYGTYZCDTAUNQC-UHFFFAOYSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000033253521	520584844	/nfs/dbraw/zinc/58/48/44/520584844.db2.gz	WRGPZXRPIZBOMM-UHFFFAOYSA-N	-1	0	466.943	3.619	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2C)CC1	ZINC000033253939	520585671	/nfs/dbraw/zinc/58/56/71/520585671.db2.gz	JQFZBZDBHNTPIH-UHFFFAOYSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCC[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-]	ZINC000002090744	520733422	/nfs/dbraw/zinc/73/34/22/520733422.db2.gz	HPFIUDPESZTLBT-LJQANCHMSA-N	-1	0	481.501	3.678	50	0	biogenic	JHAARM
CCOc1ccc(-c2nc3cc(=O)[n-]n3c(SCC(=O)Nc3cc(F)ccc3F)n2)cc1	ZINC000008831221	520821168	/nfs/dbraw/zinc/82/11/68/520821168.db2.gz	SPFBFHIKDVTYOA-UHFFFAOYSA-N	-1	0	457.462	3.905	50	0		JHAARM
CCOC(=O)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(C)(C)C)ccc1C	ZINC000002659065	520973252	/nfs/dbraw/zinc/97/32/52/520973252.db2.gz	ZPHKZLZNAHANFY-UHFFFAOYSA-N	-1	0	476.551	3.523	50	0		JHAARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000033649468	521198711	/nfs/dbraw/zinc/19/87/11/521198711.db2.gz	DOPDOXGVVPXXDS-YQNUULROSA-N	-1	0	455.488	3.952	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1	ZINC000006146278	521213762	/nfs/dbraw/zinc/21/37/62/521213762.db2.gz	DPONPIOYOBVPOK-UHFFFAOYSA-N	-1	0	481.574	3.975	50	0		JHAARM
CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1	ZINC000012415084	521753260	/nfs/dbraw/zinc/75/32/60/521753260.db2.gz	WZOMHALQBXHTLS-UHFFFAOYSA-N	-1	0	497.520	3.915	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(Cl)cc1)CN(C(=O)C1=CCCC1)CC2	ZINC000012456727	521790931	/nfs/dbraw/zinc/79/09/31/521790931.db2.gz	QDCDVGBHZMQMRZ-UHFFFAOYSA-N	-1	0	480.995	3.984	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc3c(c1)CCC3)CN(C(=O)CC(C)C)CC2	ZINC000012457174	521791119	/nfs/dbraw/zinc/79/11/19/521791119.db2.gz	MHMAKPNSZGSBLE-UHFFFAOYSA-N	-1	0	476.620	3.755	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(F)c1)CN(C(=O)c1cccc(C)c1)CC2	ZINC000012197330	521792157	/nfs/dbraw/zinc/79/21/57/521792157.db2.gz	MQZBEMYWZYFFGW-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(OC)c3)c2)c2c(c1=O)CCCC2	ZINC000046027780	523611262	/nfs/dbraw/zinc/61/12/62/523611262.db2.gz	HZQUIHJTLQRICK-UHFFFAOYSA-N	-1	0	469.563	3.627	50	0		JHAARM
CCc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2OC)cc1	ZINC000033123180	523995860	/nfs/dbraw/zinc/99/58/60/523995860.db2.gz	HJPCLIIEXJUNKW-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
COc1ccc(C[C@@]2(CCc3ccncc3)C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1	ZINC000016293292	524144649	/nfs/dbraw/zinc/14/46/49/524144649.db2.gz	CTRWHOLXILNZCG-MHZLTWQESA-N	-1	0	473.529	3.852	50	0		JHAARM
Cc1cccc(C(=O)Nc2ccc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c1	ZINC000033078801	524218348	/nfs/dbraw/zinc/21/83/48/524218348.db2.gz	WZVNPFVABGGYHL-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OC	ZINC000033255785	524245973	/nfs/dbraw/zinc/24/59/73/524245973.db2.gz	OVVXXFTVIPJXII-IRXDYDNUSA-N	-1	0	492.981	3.833	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1	ZINC000012414582	525083084	/nfs/dbraw/zinc/08/30/84/525083084.db2.gz	WIEOABJGYVPABX-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
COc1ccc([C@@H](C)Nc2nc(CN3CCOCC3)nc3sc(C(=O)[O-])c(C)c32)cc1F	ZINC000008718259	525166890	/nfs/dbraw/zinc/16/68/90/525166890.db2.gz	DPPOFGSXHSIJLV-CYBMUJFWSA-N	-1	0	460.531	3.851	50	0		JHAARM
C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(CC(=O)[O-])cc1	ZINC000008637055	525921351	/nfs/dbraw/zinc/92/13/51/525921351.db2.gz	PVRPMMUTJPQVIO-JTSKRJEESA-N	-1	0	457.523	3.856	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cn2CC(=O)N2CCOCC2)n1	ZINC000033307901	526300307	/nfs/dbraw/zinc/30/03/07/526300307.db2.gz	AROFMCGDXTVJBF-UHFFFAOYSA-N	-1	0	495.026	3.541	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cn2CC(=O)N2CCCC2)n1	ZINC000033307521	526301074	/nfs/dbraw/zinc/30/10/74/526301074.db2.gz	LQUITZHYXMCARA-UHFFFAOYSA-N	-1	0	465.000	3.997	50	0		JHAARM
O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1N1CCOCC1	ZINC000008925970	526348996	/nfs/dbraw/zinc/34/89/96/526348996.db2.gz	AUUMSPLIEMMDMQ-TXFWVUOCSA-N	-1	0	480.520	3.618	50	0		JHAARM
O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000008825659	526431730	/nfs/dbraw/zinc/43/17/30/526431730.db2.gz	RCVYABTUJFIUHP-UHFFFAOYSA-N	-1	0	493.497	3.666	50	0		JHAARM
O=S(=O)([N-]c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1ccc(F)cc1	ZINC000016130967	527246770	/nfs/dbraw/zinc/24/67/70/527246770.db2.gz	WMDPHXBUZRTRIB-UHFFFAOYSA-N	-1	0	456.904	3.786	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc2nccc(-c3cccs3)n2n1	ZINC000013644596	527257698	/nfs/dbraw/zinc/25/76/98/527257698.db2.gz	AIJWOXXVUNHZNN-UHFFFAOYSA-N	-1	0	482.572	3.967	50	0		JHAARM
O=C([O-])[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCc1ccccc1	ZINC000002584025	527646266	/nfs/dbraw/zinc/64/62/66/527646266.db2.gz	MVKNXKRRMCSKJJ-HSZRJFAPSA-N	-1	0	460.486	3.905	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1	ZINC000005845159	527648511	/nfs/dbraw/zinc/64/85/11/527648511.db2.gz	DTCGICIUPABHAN-CRYHJCRISA-N	-1	0	453.498	3.751	50	0	biogenic	JHAARM
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000000642570	553724337	/nfs/dbraw/zinc/72/43/37/553724337.db2.gz	UPXRTVAIJMUAQR-YCRPNKLZSA-N	-1	0	452.507	3.988	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)n1	ZINC000000668154	553743920	/nfs/dbraw/zinc/74/39/20/553743920.db2.gz	AJJUHMLYSYBJMW-UHFFFAOYSA-N	-1	0	451.302	3.502	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Br)c3)cc2)nc(C)n1	ZINC000000943980	553878130	/nfs/dbraw/zinc/87/81/30/553878130.db2.gz	MOHNLYMZVUJCFL-UHFFFAOYSA-N	-1	0	491.367	3.674	50	0		JHAARM
O=C([O-])c1cccc(NC2=CC(=NS(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)c1	ZINC000000944509	553878636	/nfs/dbraw/zinc/87/86/36/553878636.db2.gz	DFKKATRUOQOBHJ-LHLOQNFPSA-N	-1	0	450.447	3.894	50	0		JHAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1	ZINC000001154683	553918248	/nfs/dbraw/zinc/91/82/48/553918248.db2.gz	VEZZFLVSAYKANK-UHFFFAOYSA-N	-1	0	453.307	3.845	50	0		JHAARM
COc1ccc(C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)[O-])c2ccc(Cl)cc2)cc1OC	ZINC000001896400	554001730	/nfs/dbraw/zinc/00/17/30/554001730.db2.gz	NXSBVCGZBRRWPU-UWJYYQICSA-N	-1	0	465.955	3.994	50	0		JHAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c2cc1Cl	ZINC000002123086	554056790	/nfs/dbraw/zinc/05/67/90/554056790.db2.gz	BFWREAKQFUISKA-IBGZPJMESA-N	-1	0	468.893	3.599	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc2c1C	ZINC000002155967	554072537	/nfs/dbraw/zinc/07/25/37/554072537.db2.gz	NCYIZHWVHQVPLE-LJQANCHMSA-N	-1	0	457.910	3.817	50	0	biogenic	JHAARM
Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(C)c2oc1=O	ZINC000002158129	554073355	/nfs/dbraw/zinc/07/33/55/554073355.db2.gz	LDJHQNUGYVSZMZ-KKSFZXQISA-N	-1	0	462.502	3.779	50	0	biogenic	JHAARM
CS(=O)(=O)N1CCC[C@@H](c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)C1	ZINC000002731527	554315944	/nfs/dbraw/zinc/31/59/44/554315944.db2.gz	LLDVWRRTKMFZMM-GFCCVEGCSA-N	-1	0	487.438	3.972	50	0		JHAARM
Brc1cnn(Cn2ccc(-c3nnc([N-]c4ccn(Cc5ccccc5)n4)s3)n2)c1	ZINC000002809518	554359489	/nfs/dbraw/zinc/35/94/89/554359489.db2.gz	AXRKGYFATWWVLJ-UHFFFAOYSA-N	-1	0	482.371	3.855	50	0		JHAARM
O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000002975280	554415393	/nfs/dbraw/zinc/41/53/93/554415393.db2.gz	XYFQYUZQZYQLRI-UHFFFAOYSA-N	-1	0	486.981	3.570	50	0		JHAARM
O=C(NCc1ccccc1)c1ccc(Cn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1	ZINC000002976085	554415744	/nfs/dbraw/zinc/41/57/44/554415744.db2.gz	JVCVXPITSBYSML-UHFFFAOYSA-N	-1	0	486.597	3.874	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000005706749	554492905	/nfs/dbraw/zinc/49/29/05/554492905.db2.gz	NRTMQKMHFPBQNP-RPBOFIJWSA-N	-1	0	485.540	3.818	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)c1	ZINC000006270492	554524008	/nfs/dbraw/zinc/52/40/08/554524008.db2.gz	PONSULHSQOVEEM-UHFFFAOYSA-N	-1	0	451.976	3.980	50	0		JHAARM
CC(C)CCCOC(=O)NC([N-]c1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F	ZINC000008445354	554594665	/nfs/dbraw/zinc/59/46/65/554594665.db2.gz	HDIGVAPTKVRXGK-UHFFFAOYSA-N	-1	0	465.416	3.729	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(=O)[nH]c3ccccc32)c1	ZINC000008778914	554675705	/nfs/dbraw/zinc/67/57/05/554675705.db2.gz	FLDWVXKTSZIDON-UHFFFAOYSA-N	-1	0	479.514	3.598	50	0		JHAARM
O=C(CCn1c(=O)oc2ccc(Cl)cc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000008843668	554741012	/nfs/dbraw/zinc/74/10/12/554741012.db2.gz	CPFHAUZNMVORJF-UHFFFAOYSA-N	-1	0	478.939	3.534	50	0		JHAARM
CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc(=O)c2c1	ZINC000008845873	554744011	/nfs/dbraw/zinc/74/40/11/554744011.db2.gz	UZCHERKWFNJRCM-UHFFFAOYSA-N	-1	0	455.517	3.865	50	0		JHAARM
COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(Br)cc1Br	ZINC000008861418	554758505	/nfs/dbraw/zinc/75/85/05/554758505.db2.gz	XTFOAQUCYOWUFP-MKMNVTDBSA-N	-1	0	482.128	3.980	50	0		JHAARM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(C)cc3)s2)n1	ZINC000008869053	554762886	/nfs/dbraw/zinc/76/28/86/554762886.db2.gz	PAHCNMMIHVZLRF-UHFFFAOYSA-N	-1	0	470.001	3.628	50	0		JHAARM
COc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC	ZINC000008992964	554853451	/nfs/dbraw/zinc/85/34/51/554853451.db2.gz	PVBXSGMMMOCJEU-UHFFFAOYSA-N	-1	0	467.956	3.796	50	0		JHAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C12CC3CC(CC(C3)C1)C2	ZINC000009046896	554870699	/nfs/dbraw/zinc/87/06/99/554870699.db2.gz	LTQJHHYUKOTBRR-UHFFFAOYSA-N	-1	0	476.649	3.973	50	0		JHAARM
CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)c(C)c1	ZINC000009153263	554942727	/nfs/dbraw/zinc/94/27/27/554942727.db2.gz	GOQWIXTYWDKDPG-UHFFFAOYSA-N	-1	0	484.603	3.895	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1	ZINC000009226202	554998776	/nfs/dbraw/zinc/99/87/76/554998776.db2.gz	JXNIQOGRCICSFI-UHFFFAOYSA-N	-1	0	471.922	3.649	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N(C)C[C@H]2COc3ccccc3O2)cc1	ZINC000009335824	555103403	/nfs/dbraw/zinc/10/34/03/555103403.db2.gz	HJCZJOUIKUBDPL-YFIXDKARSA-N	-1	0	494.569	3.808	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000009434292	555205094	/nfs/dbraw/zinc/20/50/94/555205094.db2.gz	CZEPVNGTMYAPNB-UHFFFAOYSA-N	-1	0	466.607	3.977	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CCO3)cc1Cl	ZINC000009439875	555209806	/nfs/dbraw/zinc/20/98/06/555209806.db2.gz	YDWMAKTVTFAXQF-UHFFFAOYSA-N	-1	0	461.323	3.557	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1	ZINC000009490915	555267070	/nfs/dbraw/zinc/26/70/70/555267070.db2.gz	YQSVXCHGQLRZHA-UHFFFAOYSA-N	-1	0	495.966	3.606	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2c(C)cc(C)cc2C)CC1	ZINC000009562888	555364509	/nfs/dbraw/zinc/36/45/09/555364509.db2.gz	DICIASSZXUNJIH-UHFFFAOYSA-N	-1	0	458.580	3.828	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)ccc1Cl	ZINC000009670153	555386358	/nfs/dbraw/zinc/38/63/58/555386358.db2.gz	YMTOPUWYQJZWJZ-UHFFFAOYSA-N	-1	0	494.978	3.805	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1	ZINC000013402392	555395992	/nfs/dbraw/zinc/39/59/92/555395992.db2.gz	XXQNHKDISMGEHD-QGZVFWFLSA-N	-1	0	467.576	3.727	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1cc(F)ccc1F	ZINC000009739392	555470857	/nfs/dbraw/zinc/47/08/57/555470857.db2.gz	KXXIUNXDBOZCLM-UHFFFAOYSA-N	-1	0	464.421	3.700	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1ccc(F)cc1F	ZINC000009739307	555470941	/nfs/dbraw/zinc/47/09/41/555470941.db2.gz	MAAWDDJSBNZTIE-UHFFFAOYSA-N	-1	0	464.421	3.700	50	0		JHAARM
O=C([O-])c1ccccc1NC(=S)NC(=O)c1cc(I)ccc1Cl	ZINC000009762983	555487948	/nfs/dbraw/zinc/48/79/48/555487948.db2.gz	REUOLUFEFMWVKF-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000013579049	555517656	/nfs/dbraw/zinc/51/76/56/555517656.db2.gz	HGUAOLRXNVISFD-MOPGFXCFSA-N	-1	0	456.882	3.741	50	0		JHAARM
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O	ZINC000009845972	555545314	/nfs/dbraw/zinc/54/53/14/555545314.db2.gz	LQLVXCKKXCVOFQ-NDENLUEZSA-N	-1	0	459.458	3.793	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1	ZINC000019929666	555546896	/nfs/dbraw/zinc/54/68/96/555546896.db2.gz	ZFUPKUZSQXCRSM-UHFFFAOYSA-N	-1	0	495.601	3.889	50	0		JHAARM
CN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c([O-])c(Br)c2)N3)C1	ZINC000020101390	555634082	/nfs/dbraw/zinc/63/40/82/555634082.db2.gz	HCVLXVPYHUZBNV-AWEZNQCLSA-N	-1	0	473.190	3.821	50	0		JHAARM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccc(Cl)cc1F	ZINC000010272424	555665978	/nfs/dbraw/zinc/66/59/78/555665978.db2.gz	FTVGMWPPHLXQQC-UHFFFAOYSA-N	-1	0	488.349	3.779	50	0		JHAARM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3)[n-]c2=O)cc1	ZINC000010272553	555666702	/nfs/dbraw/zinc/66/67/02/555666702.db2.gz	BKAVHZPPCHASAI-UHFFFAOYSA-N	-1	0	457.577	3.631	50	0		JHAARM
Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)c1C	ZINC000010272750	555666987	/nfs/dbraw/zinc/66/69/87/555666987.db2.gz	BTTQRWCTSOMCPA-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)cc1	ZINC000014137634	555704615	/nfs/dbraw/zinc/70/46/15/555704615.db2.gz	RBUYHAQUHVROAJ-XMMPIXPASA-N	-1	0	493.520	3.655	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@H](C)n2c3ccccc3oc2=O)c1	ZINC000014212153	555734348	/nfs/dbraw/zinc/73/43/48/555734348.db2.gz	AXSWOHHXZQODKL-HNNXBMFYSA-N	-1	0	467.503	3.604	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(=O)n3ccsc3n2)c1	ZINC000011332400	555773521	/nfs/dbraw/zinc/77/35/21/555773521.db2.gz	OCSVFIQTDFQKIS-UHFFFAOYSA-N	-1	0	469.544	3.531	50	0		JHAARM
COC(=O)c1c2c(sc1NC(=S)N[N-]S(=O)(=O)c1c(C)cc(C)cc1C)C[C@H](C)CC2	ZINC000020344477	555778287	/nfs/dbraw/zinc/77/82/87/555778287.db2.gz	KZCVNYWWRJCNKS-LLVKDONJSA-N	-1	0	481.665	3.765	50	0		JHAARM
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C(=O)[O-])s3)c2cc1OC	ZINC000011906991	555854894	/nfs/dbraw/zinc/85/48/94/555854894.db2.gz	MDZKDJWMKCMOGZ-UHFFFAOYSA-N	-1	0	488.543	3.785	50	0		JHAARM
COC(=O)c1cc(CNC(=O)Cc2ccsc2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000011912306	555860627	/nfs/dbraw/zinc/86/06/27/555860627.db2.gz	KLQXQTSKVOFZKT-UHFFFAOYSA-N	-1	0	478.979	3.848	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCCn2c3ccccc3oc2=O)c1	ZINC000015432752	555908427	/nfs/dbraw/zinc/90/84/27/555908427.db2.gz	HNHNUTLZZCVQMM-UHFFFAOYSA-N	-1	0	481.530	3.823	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341880	555953816	/nfs/dbraw/zinc/95/38/16/555953816.db2.gz	JJBIWICUFWZLIP-GOSISDBHSA-N	-1	0	471.970	3.853	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000012341956	555954330	/nfs/dbraw/zinc/95/43/30/555954330.db2.gz	WLYZFMLURAPCSY-MRXNPFEDSA-N	-1	0	454.383	3.619	50	0		JHAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc1OC	ZINC000022875356	555963154	/nfs/dbraw/zinc/96/31/54/555963154.db2.gz	CBOKKGOQVGRUGH-QFIPXVFZSA-N	-1	0	479.606	3.729	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000015729191	555969658	/nfs/dbraw/zinc/96/96/58/555969658.db2.gz	LCPOJWJOOCVVER-UHFFFAOYSA-N	-1	0	465.535	3.835	50	0		JHAARM
CC(C)C[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000012382140	555970822	/nfs/dbraw/zinc/97/08/22/555970822.db2.gz	WMBPJKWVAABOCZ-GQEMFKIVSA-N	-1	0	477.330	3.975	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)c(OC)c1	ZINC000015781342	556000414	/nfs/dbraw/zinc/00/04/14/556000414.db2.gz	DMYDHUFSLYZELG-UHFFFAOYSA-N	-1	0	494.616	3.708	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(COC(C)=O)cc2)c1	ZINC000012532510	556003022	/nfs/dbraw/zinc/00/30/22/556003022.db2.gz	VYIFKDKQLVGPFR-UHFFFAOYSA-N	-1	0	454.504	3.811	50	0		JHAARM
Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000023156987	556025295	/nfs/dbraw/zinc/02/52/95/556025295.db2.gz	DAHPADIGCOCADO-KRWDZBQOSA-N	-1	0	457.943	3.599	50	0		JHAARM
O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000012560980	556053724	/nfs/dbraw/zinc/05/37/24/556053724.db2.gz	YURQVCAFNBWRTL-UHFFFAOYSA-N	-1	0	488.431	3.966	50	0		JHAARM
COC(=O)C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1cccs1	ZINC000025086867	556179068	/nfs/dbraw/zinc/17/90/68/556179068.db2.gz	TWNDXNSSFBSNLQ-HNNXBMFYSA-N	-1	0	450.563	3.645	50	0		JHAARM
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@H](C)C1	ZINC000025526706	556219407	/nfs/dbraw/zinc/21/94/07/556219407.db2.gz	WIJWIVGXBNHGHG-HUUCEWRRSA-N	-1	0	467.385	3.808	50	0		JHAARM
Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135713	556222613	/nfs/dbraw/zinc/22/26/13/556222613.db2.gz	IJBIPVDWAAUNHU-UHFFFAOYSA-N	-1	0	471.496	3.952	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2ccccc2)ccc1N1CCOCC1	ZINC000013102337	556303272	/nfs/dbraw/zinc/30/32/72/556303272.db2.gz	HRPGPJQBRARAQB-SDNWHVSQSA-N	-1	0	493.585	3.985	50	0		JHAARM
COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4ccc(CO)cc42)CC3)cc1OC	ZINC000031816486	556407438	/nfs/dbraw/zinc/40/74/38/556407438.db2.gz	GKHYRYBLILDQHG-QHCPKHFHSA-N	-1	0	479.558	3.985	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)cc1	ZINC000032667991	556467286	/nfs/dbraw/zinc/46/72/86/556467286.db2.gz	ITLWJFFSHOLFDD-UHFFFAOYSA-N	-1	0	495.509	3.973	50	0		JHAARM
Cc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000001115825	562919774	/nfs/dbraw/zinc/91/97/74/562919774.db2.gz	NMQGWSIHJBGHRW-SFTDATJTSA-N	-1	0	463.534	3.689	50	0		JHAARM
[O-]C(c1cccs1)=C1[C@H](c2ccc(Br)cc2)NC(=S)N[C@]1(O)C(F)(F)F	ZINC000008684175	562952044	/nfs/dbraw/zinc/95/20/44/562952044.db2.gz	FOHCEMWNWDBGGA-SLEUVZQESA-N	-1	0	465.316	3.779	50	0		JHAARM
CC(C)c1ccc(NC(=O)[C@H]2CCN2C(=O)[C@H](Cc2ccccc2)[N-]C(=O)C(F)(F)F)cc1	ZINC000057270881	569595263	/nfs/dbraw/zinc/59/52/63/569595263.db2.gz	MKKCJCRPBOPXRZ-VQTJNVASSA-N	-1	0	461.484	3.639	50	0		JHAARM
COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c(OC)c1OC	ZINC000061719467	569609049	/nfs/dbraw/zinc/60/90/49/569609049.db2.gz	DWRQWCVLCQQORV-HNNXBMFYSA-N	-1	0	458.417	3.954	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Br)no4)c=3c2=O)cc1C	ZINC000064565367	569618810	/nfs/dbraw/zinc/61/88/10/569618810.db2.gz	UPIVQDDKPUPUQN-ZWKOTPCHSA-N	-1	0	481.310	3.609	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)cc1	ZINC000064589466	569620916	/nfs/dbraw/zinc/62/09/16/569620916.db2.gz	RUWYUZKVISYLMO-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1NC(=O)c1ccccc1	ZINC000064590094	569621168	/nfs/dbraw/zinc/62/11/68/569621168.db2.gz	DXYIEYPULMGCCI-UHFFFAOYSA-N	-1	0	476.508	3.537	50	0		JHAARM
COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(C)c2NC(C)=O)c(=O)[n-]1	ZINC000064774857	569627071	/nfs/dbraw/zinc/62/70/71/569627071.db2.gz	FZPMASPTOUPKBS-UHFFFAOYSA-N	-1	0	473.942	3.904	50	0		JHAARM
CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1OC	ZINC000064837187	569636923	/nfs/dbraw/zinc/63/69/23/569636923.db2.gz	SKWIVBUOKFNMQF-UHFFFAOYSA-N	-1	0	464.341	3.571	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c1)NC(=O)CCC2=O	ZINC000065011163	569648340	/nfs/dbraw/zinc/64/83/40/569648340.db2.gz	NLVXWMOBSBVYJM-UHFFFAOYSA-N	-1	0	498.561	3.693	50	0		JHAARM
COCCNC(=O)c1cccnc1Oc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000065059799	569654912	/nfs/dbraw/zinc/65/49/12/569654912.db2.gz	UZQLQJLKECMDFM-UHFFFAOYSA-N	-1	0	467.956	3.766	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)[n-]2)cc1	ZINC000034763276	569658078	/nfs/dbraw/zinc/65/80/78/569658078.db2.gz	WWNFWXAJCJPMFV-UHFFFAOYSA-N	-1	0	475.593	3.700	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)ccc1OCc1cccc(F)c1	ZINC000034766582	569658616	/nfs/dbraw/zinc/65/86/16/569658616.db2.gz	WWHIQKAUQYEZEJ-UHFFFAOYSA-N	-1	0	466.513	3.916	50	0		JHAARM
COc1ccc(NC(=O)CCc2nnc(-c3ccc(OCC(C)C)c(OC)c3)[n-]c2=O)c(OC)c1	ZINC000034767231	569658747	/nfs/dbraw/zinc/65/87/47/569658747.db2.gz	GCLTXIAVVCOGPT-UHFFFAOYSA-N	-1	0	482.537	3.876	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)sc1C	ZINC000065097670	569661484	/nfs/dbraw/zinc/66/14/84/569661484.db2.gz	BJYFKPZQSWNVCK-UHFFFAOYSA-N	-1	0	462.553	3.542	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)sc2C)cc1Cl	ZINC000065116614	569666525	/nfs/dbraw/zinc/66/65/25/569666525.db2.gz	WZIZWBPYPWPVER-UHFFFAOYSA-N	-1	0	482.971	3.805	50	0		JHAARM
CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000034932964	569673615	/nfs/dbraw/zinc/67/36/15/569673615.db2.gz	VBOUULKOZMISLT-UHFFFAOYSA-N	-1	0	453.524	3.658	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(C(=O)OC)cc2)[n-]c1=O	ZINC000035377997	569685625	/nfs/dbraw/zinc/68/56/25/569685625.db2.gz	VQGAZSYVFGVJEK-GOSISDBHSA-N	-1	0	495.561	3.889	50	0		JHAARM
O=C([O-])c1cnc(N2CCC(CC[NH+]3CCCCC3)CC2)c([N-]S(=O)(=O)c2ccccc2)c1	ZINC000035397923	569688875	/nfs/dbraw/zinc/68/88/75/569688875.db2.gz	VISAJNQTRMJVKM-UHFFFAOYSA-N	-1	0	472.611	3.673	50	0		JHAARM
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])[C@@H](C)OC1(C)C	ZINC000071788146	569698396	/nfs/dbraw/zinc/69/83/96/569698396.db2.gz	OPMOLWFENHTLNA-XARZLDAJSA-N	-1	0	480.561	3.986	50	0		JHAARM
CSc1ccc(CNC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000095851202	569729163	/nfs/dbraw/zinc/72/91/63/569729163.db2.gz	OACGMYCTTHKEKE-UHFFFAOYSA-N	-1	0	450.973	3.824	50	0		JHAARM
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c(C(=O)[O-])c1OC	ZINC000097729851	569745911	/nfs/dbraw/zinc/74/59/11/569745911.db2.gz	LEBPMOWXKWYRNS-VULFUBBASA-N	-1	0	461.474	3.727	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C\c2ccco2)ccc1N1CCOCC1	ZINC000097986599	569748565	/nfs/dbraw/zinc/74/85/65/569748565.db2.gz	ZSWPAPZRSCKWPI-LUAWRHEFSA-N	-1	0	483.546	3.578	50	0		JHAARM
COc1ccc(Br)cc1/C=C(/C(=O)[O-])c1ccc(S(=O)(=O)N2CCCC2)s1	ZINC000097993394	569748799	/nfs/dbraw/zinc/74/87/99/569748799.db2.gz	BQTKOEPVLHOOBM-SDNWHVSQSA-N	-1	0	472.382	3.929	50	0		JHAARM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(F)(F)F)c2)cc1	ZINC000036390912	569774481	/nfs/dbraw/zinc/77/44/81/569774481.db2.gz	NTUZKGDSMRGZOC-UHFFFAOYSA-N	-1	0	458.277	3.672	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3cccnc3)CC1)cn2Cc1ccccc1	ZINC000036358814	569772213	/nfs/dbraw/zinc/77/22/13/569772213.db2.gz	IWAAEQKRRTWYLM-SANMLTNESA-N	-1	0	484.556	3.726	50	0		JHAARM
CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-]	ZINC000036569694	569776676	/nfs/dbraw/zinc/77/66/76/569776676.db2.gz	QCIRGEIYCQXWBQ-LJQANCHMSA-N	-1	0	473.591	3.994	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000101629157	569802036	/nfs/dbraw/zinc/80/20/36/569802036.db2.gz	HMJKZZGUZISHIX-ROUUACIJSA-N	-1	0	460.527	3.619	50	0		JHAARM
O=C(Nc1ccc2c(c1)OCCO2)c1ccc2[n-]cc3c(=O)n(-c4ccc(F)cc4)nc-3c2c1	ZINC000101828754	569805495	/nfs/dbraw/zinc/80/54/95/569805495.db2.gz	YINXSJQIEJZHJK-UHFFFAOYSA-N	-1	0	456.433	3.981	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Cl)c2)cc1OC	ZINC000101836599	569805973	/nfs/dbraw/zinc/80/59/73/569805973.db2.gz	JPEQVAFOEJVBFF-QGZVFWFLSA-N	-1	0	454.870	3.789	50	0		JHAARM
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@H]2C1=O	ZINC000102768118	569823304	/nfs/dbraw/zinc/82/33/04/569823304.db2.gz	NMPBEPIWKKUHAG-XPWALMASSA-N	-1	0	458.470	3.835	50	0		JHAARM
COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4Cl)cnn32)c1	ZINC000102820753	569824142	/nfs/dbraw/zinc/82/41/42/569824142.db2.gz	SWWPNXRTRDNWPS-GOSISDBHSA-N	-1	0	454.870	3.789	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000113480278	569861840	/nfs/dbraw/zinc/86/18/40/569861840.db2.gz	YTMHBTGSCUYGDA-KXPUMZMLSA-N	-1	0	465.314	3.997	50	0		JHAARM
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	ZINC000169620957	569868416	/nfs/dbraw/zinc/86/84/16/569868416.db2.gz	TVMHIMKEVYLVGY-DNVJHFABSA-N	-1	0	458.470	3.533	50	0		JHAARM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2O)[C@@H]2OC(=O)c3ccccc32)cc1	ZINC000198724972	569873963	/nfs/dbraw/zinc/87/39/63/569873963.db2.gz	YPGYRVIUEKSZTQ-XUZZJYLKSA-N	-1	0	459.454	3.709	50	0		JHAARM
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1	ZINC000239105301	570048881	/nfs/dbraw/zinc/04/88/81/570048881.db2.gz	IEVMCWZJCFFHPB-HYVNUMGLSA-N	-1	0	453.564	3.803	50	0		JHAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000252346815	570079921	/nfs/dbraw/zinc/07/99/21/570079921.db2.gz	GTBYYVAKXYVRHX-BAGYTPMASA-N	-1	0	480.565	3.666	50	0		JHAARM
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1NS(=O)(=O)c1ccccc1	ZINC000252498306	570082234	/nfs/dbraw/zinc/08/22/34/570082234.db2.gz	QXXWMSZCVYFHKB-HXUWFJFHSA-N	-1	0	467.503	3.623	50	0		JHAARM
Cc1cc(=O)c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccc(O)cc3)C2)c([O-])o1	ZINC000252537560	570083214	/nfs/dbraw/zinc/08/32/14/570083214.db2.gz	LOJJOKUWKKQPED-FQEVSTJZSA-N	-1	0	456.458	3.922	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)c3c4c(c(=O)oc23)CCC4)O1	ZINC000252694014	570094738	/nfs/dbraw/zinc/09/47/38/570094738.db2.gz	HCTWABHXCAWKAY-WKILWMFISA-N	-1	0	483.561	3.771	50	0	biogenic	JHAARM
COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)c(OC)c2c1OCO2	ZINC000253470764	570098998	/nfs/dbraw/zinc/09/89/98/570098998.db2.gz	CUIJYDQMFAXMFH-OAHLLOKOSA-N	-1	0	471.437	3.700	50	0		JHAARM
COc1cccc(NC(=O)C[C@@H](c2cc(OC)c3c(c2OC)OCO3)c2c([O-])cc(C)oc2=O)c1	ZINC000253470725	570099006	/nfs/dbraw/zinc/09/90/06/570099006.db2.gz	BLOKNNPYDBXJCV-INIZCTEOSA-N	-1	0	483.473	3.569	50	0		JHAARM
COc1cc([C@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)cc2c1OCO2	ZINC000253471471	570099433	/nfs/dbraw/zinc/09/94/33/570099433.db2.gz	TUZFFUIVEYXTNO-KRWDZBQOSA-N	-1	0	463.442	3.667	50	0		JHAARM
COc1cc([C@@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)cc2c1OCO2	ZINC000253471472	570099469	/nfs/dbraw/zinc/09/94/69/570099469.db2.gz	TUZFFUIVEYXTNO-QGZVFWFLSA-N	-1	0	463.442	3.667	50	0		JHAARM
COc1cc([C@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1OCC(=O)[O-]	ZINC000263585620	570171241	/nfs/dbraw/zinc/17/12/41/570171241.db2.gz	KTUKLDXWIWAPOV-DEOSSOPVSA-N	-1	0	489.528	3.894	50	0	biogenic	JHAARM
O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1	ZINC000000939605	193986814	/nfs/dbraw/zinc/98/68/14/193986814.db2.gz	GUJYSZYRFYCFGK-INIZCTEOSA-N	-1	0	460.770	3.726	50	0		JHAARM
O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000001114650	194028992	/nfs/dbraw/zinc/02/89/92/194028992.db2.gz	NNYVULZEFKSQNE-NYYWCZLTSA-N	-1	0	459.325	3.692	50	0		JHAARM
CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc2)cc1	ZINC000001141845	194045174	/nfs/dbraw/zinc/04/51/74/194045174.db2.gz	BBHZHXWDVGMECT-UHFFFAOYSA-N	-1	0	492.575	3.704	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)ncn1	ZINC000001160009	194054260	/nfs/dbraw/zinc/05/42/60/194054260.db2.gz	LKXUJMFRFSNIBB-UHFFFAOYSA-N	-1	0	453.307	3.845	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OC)c(OC)c3)cc(C(=O)[O-])c2)cc1OC	ZINC000001229509	194076610	/nfs/dbraw/zinc/07/66/10/194076610.db2.gz	KSVHGAHKJCUYPO-UHFFFAOYSA-N	-1	0	480.473	3.924	50	0		JHAARM
CC(=O)Oc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OC(C)=O)c3)cc(C(=O)[O-])c2)c1	ZINC000001217010	194073007	/nfs/dbraw/zinc/07/30/07/194073007.db2.gz	VHIYFFBXFISFDS-UHFFFAOYSA-N	-1	0	476.441	3.740	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)s1	ZINC000001781110	194138967	/nfs/dbraw/zinc/13/89/67/194138967.db2.gz	IHPDGCWWQBYDRD-UHFFFAOYSA-N	-1	0	473.399	3.978	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)s1	ZINC000002316330	194159483	/nfs/dbraw/zinc/15/94/83/194159483.db2.gz	POGZAEFGRUWHNN-UHFFFAOYSA-N	-1	0	496.039	3.610	50	0		JHAARM
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000002955956	194179641	/nfs/dbraw/zinc/17/96/41/194179641.db2.gz	ZOPGONKTHBJPHR-YBFXNURJSA-N	-1	0	460.442	3.532	50	0		JHAARM
CC(=O)N1CCOc2cc(S(=O)(=O)[N-]c3ccc(Br)c(C)c3)c(Cl)cc21	ZINC000003027899	194211909	/nfs/dbraw/zinc/21/19/09/194211909.db2.gz	YLPMHMSKKSSKPM-UHFFFAOYSA-N	-1	0	459.749	3.957	50	0		JHAARM
O=S(=O)([N-]c1cccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F	ZINC000003104277	194226083	/nfs/dbraw/zinc/22/60/83/194226083.db2.gz	NPYGGRYJONIHJU-UHFFFAOYSA-N	-1	0	489.829	3.737	50	0		JHAARM
Cc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1	ZINC000003257881	194254168	/nfs/dbraw/zinc/25/41/68/194254168.db2.gz	LEOLTDDNNGMECM-UHFFFAOYSA-N	-1	0	460.533	3.597	50	0		JHAARM
Cc1c(Cl)cccc1-n1c(SCC(=O)N2CCC(C(=O)[O-])CC2)nnc1-c1ccncc1	ZINC000003277406	194260747	/nfs/dbraw/zinc/26/07/47/194260747.db2.gz	CLZKTRGEANOFLV-UHFFFAOYSA-N	-1	0	471.970	3.706	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1cc(Br)c(O)c(OC)c1)N(C)C2=O	ZINC000004100652	194377607	/nfs/dbraw/zinc/37/76/07/194377607.db2.gz	ODIQHYXIRGUGSQ-MOPGFXCFSA-N	-1	0	494.338	3.956	50	0		JHAARM
CCOC(=O)c1[nH]c(C)c(CN(CCc2ccc(OC)c(OC)c2)C(=O)CCCC(=O)[O-])c1C	ZINC000004437010	194389994	/nfs/dbraw/zinc/38/99/94/194389994.db2.gz	YXLXAPQWXUIWRP-UHFFFAOYSA-N	-1	0	474.554	3.652	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1	ZINC000012631275	195063449	/nfs/dbraw/zinc/06/34/49/195063449.db2.gz	PUIVEODEEQXEQW-UHFFFAOYSA-N	-1	0	480.530	3.722	50	0		JHAARM
CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1	ZINC000012759609	195110117	/nfs/dbraw/zinc/11/01/17/195110117.db2.gz	ACACZWAVCREXPU-UHFFFAOYSA-N	-1	0	484.618	3.898	50	0		JHAARM
Cc1nc2nc(SC[C@@H](O)COc3ccc(-c4ccccc4)cc3)nn2c(C)c1CC(=O)[O-]	ZINC000012817654	195147728	/nfs/dbraw/zinc/14/77/28/195147728.db2.gz	PQUPWCUKTJSSSP-IBGZPJMESA-N	-1	0	464.547	3.567	50	0		JHAARM
C[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)[O-]	ZINC000012890738	195172837	/nfs/dbraw/zinc/17/28/37/195172837.db2.gz	GNGVBGZAPPIIBI-AWEZNQCLSA-N	-1	0	451.475	3.532	50	0	biogenic	JHAARM
COc1cccc(-c2nc(CC(=O)N[C@H](CC(=O)[O-])c3ccc(OC)c(OC)c3)cs2)c1	ZINC000020723894	195207044	/nfs/dbraw/zinc/20/70/44/195207044.db2.gz	OYIIWSVPNQNALP-GOSISDBHSA-N	-1	0	456.520	3.711	50	0		JHAARM
O=C(CSc1nc(-c2ccc3c(c2)OCO3)nc2cc(=O)[n-]n21)Nc1ccccc1C(F)(F)F	ZINC000020987165	195260822	/nfs/dbraw/zinc/26/08/22/195260822.db2.gz	LTZBEMYDBYLMQX-UHFFFAOYSA-N	-1	0	489.435	3.975	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2ccccc2)[n-]c1=O	ZINC000021151990	195283305	/nfs/dbraw/zinc/28/33/05/195283305.db2.gz	LLURFUAMSHQJSX-GOSISDBHSA-N	-1	0	451.552	3.998	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1	ZINC000021446852	195301435	/nfs/dbraw/zinc/30/14/35/195301435.db2.gz	MRSKUPDGSROYLZ-UHFFFAOYSA-N	-1	0	482.493	3.983	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)NC2=C(C(=O)OCC)C(CC)=Nc3ccccc3[N-]2)cc1	ZINC000102972197	130433896	/nfs/dbraw/zinc/43/38/96/130433896.db2.gz	CPEQGDGXIJXTEI-UHFFFAOYSA-N	-1	0	471.535	3.525	50	0		JHAARM
CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCC(C)C)CC2)cc1	ZINC000033274499	519714313	/nfs/dbraw/zinc/71/43/13/519714313.db2.gz	NIRKEABWIVULOW-UHFFFAOYSA-N	-1	0	457.596	3.948	50	0		JHAARM
CCCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000048312126	520698185	/nfs/dbraw/zinc/69/81/85/520698185.db2.gz	AWHJNOWYXJBXEZ-UHFFFAOYSA-N	-1	0	452.385	3.654	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(F)c(Cl)c2)cc1	ZINC000049003397	521133137	/nfs/dbraw/zinc/13/31/37/521133137.db2.gz	VXGYCSHNNYTDIF-UHFFFAOYSA-N	-1	0	452.895	3.962	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)c1	ZINC000033307562	521771174	/nfs/dbraw/zinc/77/11/74/521771174.db2.gz	MCDYZGMPEFWYKX-UHFFFAOYSA-N	-1	0	458.609	3.906	50	0		JHAARM
COC(=O)c1c2c(sc1NC(=S)N[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)CCC2	ZINC000020468237	521771135	/nfs/dbraw/zinc/77/11/35/521771135.db2.gz	ZVPIPZOABWRURG-UHFFFAOYSA-N	-1	0	467.638	3.501	50	0		JHAARM
COc1c2c(cc([C@H]3CC(=O)Nc4c(C(=O)[O-])cn(-c5cccc(F)c5)c43)c1OC)OCO2	ZINC000066087935	521886553	/nfs/dbraw/zinc/88/65/53/521886553.db2.gz	BJBVXIPLVWUYNR-CYBMUJFWSA-N	-1	0	454.410	3.535	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nc3sc4cc(C)ccc4n3c2=O)cc1Cl	ZINC000021663179	522815609	/nfs/dbraw/zinc/81/56/09/522815609.db2.gz	KIRFCOPTUCDVDT-UHFFFAOYSA-N	-1	0	479.967	3.997	50	0		JHAARM
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(I)c1OCc1ccccc1	ZINC000015685922	522929882	/nfs/dbraw/zinc/92/98/82/522929882.db2.gz	CQKDPIIHOFOIQX-RHSMWYFYSA-N	-1	0	471.316	3.667	50	0		JHAARM
COc1ccc(-c2nc(CNC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1	ZINC000013235629	523206829	/nfs/dbraw/zinc/20/68/29/523206829.db2.gz	RHISXZUIEWZBTB-FQEVSTJZSA-N	-1	0	450.520	3.795	50	0		JHAARM
CN1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000022795330	523922082	/nfs/dbraw/zinc/92/20/82/523922082.db2.gz	VGAZCZAKOMOPGG-INIZCTEOSA-N	-1	0	474.384	3.856	50	0		JHAARM
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000033294142	524492165	/nfs/dbraw/zinc/49/21/65/524492165.db2.gz	WYDOJXDGAYAMSS-MOSHPQCFSA-N	-1	0	477.498	3.859	50	0		JHAARM
Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)[N-]c3nnc(C(C)C)s3)n2)cc1	ZINC000008613831	524639299	/nfs/dbraw/zinc/63/92/99/524639299.db2.gz	VWDOEFIYQBBRAM-UHFFFAOYSA-N	-1	0	451.961	3.640	50	0		JHAARM
COc1ncccc1C(=O)NCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2)oc1C	ZINC000012246688	525040076	/nfs/dbraw/zinc/04/00/76/525040076.db2.gz	IRGHKPJRVNHUDB-UHFFFAOYSA-N	-1	0	496.520	3.924	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1OC	ZINC000033253090	525082451	/nfs/dbraw/zinc/08/24/51/525082451.db2.gz	UYYQIEHPNMEESZ-UHFFFAOYSA-N	-1	0	497.573	3.529	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1	ZINC000033253683	525084097	/nfs/dbraw/zinc/08/40/97/525084097.db2.gz	AYHFPOQFELAJKR-UHFFFAOYSA-N	-1	0	486.594	3.614	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000021883368	525617614	/nfs/dbraw/zinc/61/76/14/525617614.db2.gz	KHKMWQFWVOCTNJ-IBGZPJMESA-N	-1	0	480.590	3.913	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000021883367	525618169	/nfs/dbraw/zinc/61/81/69/525618169.db2.gz	KHKMWQFWVOCTNJ-LJQANCHMSA-N	-1	0	480.590	3.913	50	0		JHAARM
Cc1cc2nc(COc3ccc(C)cc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc(=O)n2o1	ZINC000041089515	525674032	/nfs/dbraw/zinc/67/40/32/525674032.db2.gz	YCQPKZLSAMZSRA-UHFFFAOYSA-N	-1	0	459.911	3.938	50	0		JHAARM
Cc1c(OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)ccc2c3c(c(=O)oc12)CCC3	ZINC000002118247	525880537	/nfs/dbraw/zinc/88/05/37/525880537.db2.gz	SMNFJMNXGFYXOQ-UHFFFAOYSA-N	-1	0	461.514	3.614	50	0	biogenic	JHAARM
C[C@@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000022572250	525988184	/nfs/dbraw/zinc/98/81/84/525988184.db2.gz	WGIKUPVHJXMUIL-CQSZACIVSA-N	-1	0	463.515	3.855	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1	ZINC000005845154	526304410	/nfs/dbraw/zinc/30/44/10/526304410.db2.gz	DTCGICIUPABHAN-BCGDRIGESA-N	-1	0	453.498	3.751	50	0	biogenic	JHAARM
Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c1)NC(=O)CCC2=O	ZINC000033276560	526309866	/nfs/dbraw/zinc/30/98/66/526309866.db2.gz	YXQCEWYYTWZSFA-UHFFFAOYSA-N	-1	0	462.890	3.824	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033078637	526351161	/nfs/dbraw/zinc/35/11/61/526351161.db2.gz	YLTBLTYRGUHHRP-UHFFFAOYSA-N	-1	0	477.492	3.827	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccccc2I)ccc1I	ZINC000013957519	526351386	/nfs/dbraw/zinc/35/13/86/526351386.db2.gz	MAXOHQQYJAQMPT-UHFFFAOYSA-N	-1	0	493.038	3.846	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2)CC1	ZINC000033253081	526352090	/nfs/dbraw/zinc/35/20/90/526352090.db2.gz	WLGJGIWSPGAMJJ-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
Cc1noc(C)c1-n1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccc(Cl)cn3)c2)ccc1=O	ZINC000035503451	526466762	/nfs/dbraw/zinc/46/67/62/526466762.db2.gz	NAXZFIPRXZZYMV-UHFFFAOYSA-N	-1	0	471.926	3.662	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(I)c3)cc2)no1	ZINC000000675353	553749272	/nfs/dbraw/zinc/74/92/72/553749272.db2.gz	RQCLKFJJMNHQAI-UHFFFAOYSA-N	-1	0	497.314	3.949	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000001114362	553910438	/nfs/dbraw/zinc/91/04/38/553910438.db2.gz	JGHXNEWKPCGSIS-UHFFFAOYSA-N	-1	0	451.548	3.911	50	0		JHAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12	ZINC000002118097	554054181	/nfs/dbraw/zinc/05/41/81/554054181.db2.gz	SPMTUWSBGVYZBS-LJQANCHMSA-N	-1	0	457.910	3.898	50	0	biogenic	JHAARM
COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])ccc32)cc1	ZINC000002118794	554054416	/nfs/dbraw/zinc/05/44/16/554054416.db2.gz	NEPMUWRCCGIWAW-QHCPKHFHSA-N	-1	0	473.481	3.660	50	0	biogenic	JHAARM
CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C)C(=O)[O-]	ZINC000002125851	554058229	/nfs/dbraw/zinc/05/82/29/554058229.db2.gz	MYPBMKRYFCAMOK-FATZIPQQSA-N	-1	0	453.491	3.771	50	0	biogenic	JHAARM
Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])cc2oc1=O	ZINC000002135285	554061866	/nfs/dbraw/zinc/06/18/66/554061866.db2.gz	LXRUOIZEFNBILZ-XCLFUZPHSA-N	-1	0	498.919	3.830	50	0	biogenic	JHAARM
Cn1cc(NC(=O)c2cc3nc(-c4ccc(F)cc4)cc(C(F)(F)C(F)(F)F)n3n2)c(C(=O)[O-])n1	ZINC000002806463	554357081	/nfs/dbraw/zinc/35/70/81/554357081.db2.gz	ATIYNYDJPFVFGV-UHFFFAOYSA-N	-1	0	498.343	3.874	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)c1C	ZINC000006292410	554527788	/nfs/dbraw/zinc/52/77/88/554527788.db2.gz	RPVDPLFHIYXQMH-MRXNPFEDSA-N	-1	0	497.529	3.913	50	0		JHAARM
CC[NH+](CC)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1	ZINC000008826176	554715431	/nfs/dbraw/zinc/71/54/31/554715431.db2.gz	KEJFVEJAAQCPLJ-UHFFFAOYSA-N	-1	0	488.393	3.564	50	0		JHAARM
O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008862285	554759928	/nfs/dbraw/zinc/75/99/28/554759928.db2.gz	CYPQGQCDMZYWHX-UHFFFAOYSA-N	-1	0	488.525	3.526	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)cc1	ZINC000008916568	554810962	/nfs/dbraw/zinc/81/09/62/554810962.db2.gz	PCCNYVOXIWKAKV-QFIPXVFZSA-N	-1	0	454.504	3.583	50	0		JHAARM
COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc(Br)c1OC	ZINC000009014925	554865519	/nfs/dbraw/zinc/86/55/19/554865519.db2.gz	KTFYUTUAYSLPCY-UHFFFAOYSA-N	-1	0	451.317	3.613	50	0		JHAARM
COCCNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)c(OC)cc2OC)c(Cl)cc1Cl	ZINC000009128834	554926095	/nfs/dbraw/zinc/92/60/95/554926095.db2.gz	IVHMSNJCUUGFDZ-UHFFFAOYSA-N	-1	0	497.784	3.841	50	0		JHAARM
CCN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O	ZINC000009129007	554926655	/nfs/dbraw/zinc/92/66/55/554926655.db2.gz	PWUFQBRCYMEWLU-FQEVSTJZSA-N	-1	0	470.451	3.699	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c1	ZINC000009168023	554952097	/nfs/dbraw/zinc/95/20/97/554952097.db2.gz	FANCKWXBSXQZGR-UHFFFAOYSA-N	-1	0	462.568	3.912	50	0		JHAARM
Cc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2=O)c1C	ZINC000009191193	554963166	/nfs/dbraw/zinc/96/31/66/554963166.db2.gz	OSVYCFXSLPREIX-MRXNPFEDSA-N	-1	0	470.576	3.552	50	0		JHAARM
O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000009236844	555010811	/nfs/dbraw/zinc/01/08/11/555010811.db2.gz	MEMLXVXUIUMILA-WNCULLNHSA-N	-1	0	486.959	3.861	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(C)cc2)ccc1C	ZINC000009338466	555106595	/nfs/dbraw/zinc/10/65/95/555106595.db2.gz	WMRSKFUEYOTOSH-UHFFFAOYSA-N	-1	0	454.548	3.922	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21	ZINC000009546110	555340209	/nfs/dbraw/zinc/34/02/09/555340209.db2.gz	SNLWYFGXOFKCED-IBGZPJMESA-N	-1	0	470.572	3.900	50	0		JHAARM
Cc1ccc(-c2nnc(SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)cc1C	ZINC000013408836	555396886	/nfs/dbraw/zinc/39/68/86/555396886.db2.gz	VAUHUVXOFJARKF-IBGZPJMESA-N	-1	0	450.520	3.739	50	0		JHAARM
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2cccc(Br)c2)c(C)n1C	ZINC000009685156	555413881	/nfs/dbraw/zinc/41/38/81/555413881.db2.gz	GDQZMYRDSHQJIW-UHFFFAOYSA-N	-1	0	454.390	3.831	50	0		JHAARM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000009606130	555432488	/nfs/dbraw/zinc/43/24/88/555432488.db2.gz	WUCCQFIGMXWHDR-UHFFFAOYSA-N	-1	0	463.559	3.587	50	0		JHAARM
COc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009631582	555460758	/nfs/dbraw/zinc/46/07/58/555460758.db2.gz	SFPAMFRSWTXZRJ-GOSISDBHSA-N	-1	0	497.548	3.622	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)Oc2ccccc2)c1	ZINC000009742352	555473841	/nfs/dbraw/zinc/47/38/41/555473841.db2.gz	MNRHAPQXKJRGPR-INIZCTEOSA-N	-1	0	456.520	3.911	50	0		JHAARM
O=C([O-])CCC/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1	ZINC000013545806	555489774	/nfs/dbraw/zinc/48/97/74/555489774.db2.gz	WWSWYXNVCBLWNZ-CHPNCWRZSA-N	-1	0	458.473	3.560	50	0	in-man	JHAARM
CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000013579054	555517991	/nfs/dbraw/zinc/51/79/91/555517991.db2.gz	ZWZQUIXNKPIKLD-RTWAWAEBSA-N	-1	0	464.518	3.958	50	0		JHAARM
CC(=O)Nc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1	ZINC000009819000	555523008	/nfs/dbraw/zinc/52/30/08/555523008.db2.gz	KPNRHVZCNLJDQT-UHFFFAOYSA-N	-1	0	464.956	3.737	50	0		JHAARM
Cn1cc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)c(C(=O)[O-])n1	ZINC000013960158	555663549	/nfs/dbraw/zinc/66/35/49/555663549.db2.gz	KTBKCHBKUGAAFB-UHFFFAOYSA-N	-1	0	470.820	3.814	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCc5ccccn5)cc4)c3=O)c2c1	ZINC000020331170	555776094	/nfs/dbraw/zinc/77/60/94/555776094.db2.gz	KRQUKVGSWNGGCP-UHFFFAOYSA-N	-1	0	471.542	3.922	50	0		JHAARM
Cc1ccc(NC(=O)c2cc(NC(=O)CCCC(=O)[O-])ccc2N2CCOCC2)cc1Cl	ZINC000022257866	555905547	/nfs/dbraw/zinc/90/55/47/555905547.db2.gz	LTQRQZKPTVMTAX-UHFFFAOYSA-N	-1	0	459.930	3.931	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(OC)c2)CC1	ZINC000022852471	555959897	/nfs/dbraw/zinc/95/98/97/555959897.db2.gz	KDFNYZZAYNWIFS-SFHVURJKSA-N	-1	0	483.550	3.629	50	0		JHAARM
COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC3(CC2)OCCO3)c1	ZINC000022852453	555959949	/nfs/dbraw/zinc/95/99/49/555959949.db2.gz	LBJKXJRGVJDMGV-GOSISDBHSA-N	-1	0	468.535	3.693	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1	ZINC000022853609	555960564	/nfs/dbraw/zinc/96/05/64/555960564.db2.gz	YMRHGATUOWMOMT-INIZCTEOSA-N	-1	0	479.400	3.796	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Cl)cc3Cl)N3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000022853822	555960653	/nfs/dbraw/zinc/96/06/53/555960653.db2.gz	VOJPXYXGGBCQMX-OAHLLOKOSA-N	-1	0	454.383	3.652	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(NC)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1	ZINC000012521388	555992883	/nfs/dbraw/zinc/99/28/83/555992883.db2.gz	KWQGIDJHNWIKDJ-UHFFFAOYSA-N	-1	0	466.412	3.866	50	0		JHAARM
COCCOc1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000012526096	555994037	/nfs/dbraw/zinc/99/40/37/555994037.db2.gz	RSGKOGLKZBVPOC-UHFFFAOYSA-N	-1	0	457.504	3.886	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1	ZINC000012560667	556053046	/nfs/dbraw/zinc/05/30/46/556053046.db2.gz	YMGFYWXWRIKQEU-MRXNPFEDSA-N	-1	0	468.531	3.758	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012560845	556053392	/nfs/dbraw/zinc/05/33/92/556053392.db2.gz	RCYDNKZMUKJSCE-WOSRLPQWSA-N	-1	0	463.275	3.957	50	0		JHAARM
COc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000015919243	556066685	/nfs/dbraw/zinc/06/66/85/556066685.db2.gz	AFVCZROIJVFCGB-NHCUHLMSSA-N	-1	0	481.549	3.614	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(Nc3ncccn3)c2)c1	ZINC000024841524	556160249	/nfs/dbraw/zinc/16/02/49/556160249.db2.gz	RENZMMQNBVCIMP-UHFFFAOYSA-N	-1	0	491.529	3.988	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCc3ccccc3)cc1)c2=O	ZINC000016942401	556181313	/nfs/dbraw/zinc/18/13/13/556181313.db2.gz	QGWUFMLZBXBHNF-UHFFFAOYSA-N	-1	0	473.554	3.866	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc(C)cc2OC)c1	ZINC000025260235	556206494	/nfs/dbraw/zinc/20/64/94/556206494.db2.gz	RIIRTRGAVVKXAU-UHFFFAOYSA-N	-1	0	486.546	3.839	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(C)nc3c2c(C)nn3C)c1	ZINC000026739000	556260131	/nfs/dbraw/zinc/26/01/31/556260131.db2.gz	VXJMVHCVVAXUCI-UHFFFAOYSA-N	-1	0	495.561	3.655	50	0		JHAARM
CSCC[C@@H](NC(=O)Cc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-]	ZINC000026771754	556261217	/nfs/dbraw/zinc/26/12/17/556261217.db2.gz	HAFPESDQNCFJBS-GOSISDBHSA-N	-1	0	457.548	3.900	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000018162348	556296963	/nfs/dbraw/zinc/29/69/63/556296963.db2.gz	YAWWLNOZRJCGST-HOTGVXAUSA-N	-1	0	497.136	3.688	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1	ZINC000028794357	556341146	/nfs/dbraw/zinc/34/11/46/556341146.db2.gz	ATGDQXMBACJTRG-UHFFFAOYSA-N	-1	0	476.558	3.671	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nn3cnc4ccccc43)ccc2Cl)cc1	ZINC000028813898	556342172	/nfs/dbraw/zinc/34/21/72/556342172.db2.gz	FOZQYCCKBBHQPF-UHFFFAOYSA-N	-1	0	456.911	3.883	50	0		JHAARM
O=C(Nc1ccccc1)c1cc(I)cc(I)c1[O-]	ZINC000028863395	556343283	/nfs/dbraw/zinc/34/32/83/556343283.db2.gz	VIYPJTLDRDQQDH-UHFFFAOYSA-N	-1	0	465.028	3.854	50	0		JHAARM
COc1ccc(NC(=O)Cc2cn3ccsc3n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000029796630	556357710	/nfs/dbraw/zinc/35/77/10/556357710.db2.gz	GYSORAMAORDHTP-UHFFFAOYSA-N	-1	0	460.512	3.526	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000032961616	556578090	/nfs/dbraw/zinc/57/80/90/556578090.db2.gz	YEFIGINARGLAFX-UHFFFAOYSA-N	-1	0	489.594	3.663	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(C)c2)CC1	ZINC000032961930	556580051	/nfs/dbraw/zinc/58/00/51/556580051.db2.gz	LUXZWOASMJFMMZ-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)oc2c1	ZINC000008606759	562946940	/nfs/dbraw/zinc/94/69/40/562946940.db2.gz	VVAGFDIPNXGAHI-UHFFFAOYSA-N	-1	0	464.503	3.561	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)NCCc1ccccc1	ZINC000008682941	562951686	/nfs/dbraw/zinc/95/16/86/562951686.db2.gz	FQNLPACCIITVRH-UHFFFAOYSA-N	-1	0	480.634	3.815	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br	ZINC000008687573	562953522	/nfs/dbraw/zinc/95/35/22/562953522.db2.gz	ZUEXLARNEGCILM-SSUIOBEFSA-N	-1	0	483.318	3.625	50	0		JHAARM
CC(C)c1ccc(NC(=O)[C@@H]2CCN2C(=O)[C@H](Cc2ccccc2)[N-]C(=O)C(F)(F)F)cc1	ZINC000057270880	569595301	/nfs/dbraw/zinc/59/53/01/569595301.db2.gz	MKKCJCRPBOPXRZ-PMACEKPBSA-N	-1	0	461.484	3.639	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2C(=O)[O-])c1C	ZINC000032971079	569603639	/nfs/dbraw/zinc/60/36/39/569603639.db2.gz	LDCSPAOMYLYRRM-UHFFFAOYSA-N	-1	0	498.605	3.900	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)[nH]n2)cc1	ZINC000032984990	569608296	/nfs/dbraw/zinc/60/82/96/569608296.db2.gz	BZFRVRLESVUOLJ-UHFFFAOYSA-N	-1	0	470.429	3.760	50	0		JHAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1cc2c(cc1Sc1ccc(F)cc1)n(C)c(=O)n2C	ZINC000064580862	569620694	/nfs/dbraw/zinc/62/06/94/569620694.db2.gz	JLDWQGJVOPTEQS-UHFFFAOYSA-N	-1	0	462.528	3.573	50	0		JHAARM
O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NC(=O)COc1ccccc1	ZINC000064590370	569621393	/nfs/dbraw/zinc/62/13/93/569621393.db2.gz	TZVMIRAGESFWQM-UHFFFAOYSA-N	-1	0	463.509	3.864	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cnc1N1CCC([NH+]2CCCCC2)CC1	ZINC000064843372	569637908	/nfs/dbraw/zinc/63/79/08/569637908.db2.gz	WJPQZJXLOBVRDM-UHFFFAOYSA-N	-1	0	485.031	3.750	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C(=O)NC3CC3)cc2)c1	ZINC000065074576	569657198	/nfs/dbraw/zinc/65/71/98/569657198.db2.gz	QRHUYUIJYJTYTP-UHFFFAOYSA-N	-1	0	469.519	3.584	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)cc1OC	ZINC000034766823	569658624	/nfs/dbraw/zinc/65/86/24/569658624.db2.gz	YECMBRKOUMOKBT-UHFFFAOYSA-N	-1	0	466.538	3.560	50	0		JHAARM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1	ZINC000065098759	569661786	/nfs/dbraw/zinc/66/17/86/569661786.db2.gz	FPXRULCJBXPYFF-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2OC)c1	ZINC000065116248	569666428	/nfs/dbraw/zinc/66/64/28/569666428.db2.gz	WUGLMALOUMIJHM-UHFFFAOYSA-N	-1	0	459.524	3.989	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)c1	ZINC000065137366	569668123	/nfs/dbraw/zinc/66/81/23/569668123.db2.gz	QMZUOEKPPMYZIC-UHFFFAOYSA-N	-1	0	460.581	3.502	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137591	569668546	/nfs/dbraw/zinc/66/85/46/569668546.db2.gz	ZWEXQTLPBQLGRN-UHFFFAOYSA-N	-1	0	498.989	3.523	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C)c(Cl)cc3OC)[nH]n2)cc1	ZINC000067244821	569681876	/nfs/dbraw/zinc/68/18/76/569681876.db2.gz	BUWITHBJXRRNMG-UHFFFAOYSA-N	-1	0	464.931	3.832	50	0		JHAARM
COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cc(C)c(Br)cc1C	ZINC000035378075	569685861	/nfs/dbraw/zinc/68/58/61/569685861.db2.gz	FIHOQXUZCZGAGL-UHFFFAOYSA-N	-1	0	464.341	3.626	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-]	ZINC000035397891	569688531	/nfs/dbraw/zinc/68/85/31/569688531.db2.gz	ALLPFBBEVIMKMO-UHFFFAOYSA-N	-1	0	475.546	3.579	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])c1C	ZINC000035397874	569688585	/nfs/dbraw/zinc/68/85/85/569688585.db2.gz	VNIGNCWHVDVGSD-UHFFFAOYSA-N	-1	0	485.610	3.710	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CN(C)c3nc4ccccc4s3)cc2)c1C	ZINC000070972828	569695891	/nfs/dbraw/zinc/69/58/91/569695891.db2.gz	PFOAIXDWHMUGFX-UHFFFAOYSA-N	-1	0	471.564	3.777	50	0		JHAARM
Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(Cl)ccc34)CC2)c(C)c1	ZINC000036360715	569772642	/nfs/dbraw/zinc/77/26/42/569772642.db2.gz	QIUUYILZPXIRSA-HSZRJFAPSA-N	-1	0	455.942	3.944	50	0		JHAARM
O=C([O-])c1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(Cc4cccnc4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036365844	569772919	/nfs/dbraw/zinc/77/29/19/569772919.db2.gz	AELZZUOWYXIPDA-AREMUKBSSA-N	-1	0	484.556	3.726	50	0		JHAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(c3cccc(Cl)c3)CC1)cn2CCC(=O)[O-]	ZINC000036367088	569773013	/nfs/dbraw/zinc/77/30/13/569773013.db2.gz	IYAZUKIUYGTIBY-QHCPKHFHSA-N	-1	0	471.941	3.726	50	0		JHAARM
CCOc1ccccc1Oc1coc2cc(OCC(=O)N[C@H](CCSC)C(=O)[O-])ccc2c1=O	ZINC000036569453	569776545	/nfs/dbraw/zinc/77/65/45/569776545.db2.gz	OBBHOFLAVJYLKS-QGZVFWFLSA-N	-1	0	487.530	3.685	50	0		JHAARM
CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Br)cc4)c(=O)c2=3)cc1	ZINC000101166551	569785653	/nfs/dbraw/zinc/78/56/53/569785653.db2.gz	MASLWBOKCGOADB-RBUKOAKNSA-N	-1	0	470.327	3.504	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101261165	569788222	/nfs/dbraw/zinc/78/82/22/569788222.db2.gz	VVCCAAPVNQHGBU-QZTJIDSGSA-N	-1	0	470.411	3.811	50	0		JHAARM
Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nc([N-]S(C)(=O)=O)nn32)cc1	ZINC000101618440	569801788	/nfs/dbraw/zinc/80/17/88/569801788.db2.gz	YPQAEWBPCCEBFQ-QGZVFWFLSA-N	-1	0	460.357	3.777	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101892641	569807336	/nfs/dbraw/zinc/80/73/36/569807336.db2.gz	YDWPBVCEEGASAL-ZWKOTPCHSA-N	-1	0	486.410	3.648	50	0		JHAARM
CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)c1	ZINC000101892841	569807439	/nfs/dbraw/zinc/80/74/39/569807439.db2.gz	ODAHHUPCAKVZBN-IAGOWNOFSA-N	-1	0	454.899	3.605	50	0		JHAARM
Cc1cc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCOCC3)s2)cc(C)c1OC(F)F	ZINC000040161448	569822744	/nfs/dbraw/zinc/82/27/44/569822744.db2.gz	NEPTXAURMYGBAR-RVDMUPIBSA-N	-1	0	473.519	3.612	50	0		JHAARM
COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4Cl)cnn32)c1	ZINC000102820751	569824097	/nfs/dbraw/zinc/82/40/97/569824097.db2.gz	SWWPNXRTRDNWPS-SFHVURJKSA-N	-1	0	454.870	3.789	50	0		JHAARM
COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1ccc(Br)cc1	ZINC000102901163	569826653	/nfs/dbraw/zinc/82/66/53/569826653.db2.gz	MVGQJZDIZXCGNE-KRWDZBQOSA-N	-1	0	469.295	3.890	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@@H](C)N2C(C)=O	ZINC000040450702	569828988	/nfs/dbraw/zinc/82/89/88/569828988.db2.gz	PQRRYGXXNSTPKB-GFCCVEGCSA-N	-1	0	453.358	3.946	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc(OC)c1	ZINC000040454524	569829406	/nfs/dbraw/zinc/82/94/06/569829406.db2.gz	CZMOCUPAMXSARN-NSHDSACASA-N	-1	0	469.357	3.565	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(OC)cc(OC)c3)cc21	ZINC000040454565	569829426	/nfs/dbraw/zinc/82/94/26/569829426.db2.gz	KRNYKYIZXYMELM-UHFFFAOYSA-N	-1	0	469.357	3.566	50	0		JHAARM
CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1nc(C)cs1	ZINC000103034029	569832234	/nfs/dbraw/zinc/83/22/34/569832234.db2.gz	PHOCMPPNCPMKDW-OAHLLOKOSA-N	-1	0	450.973	3.909	50	0		JHAARM
CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C)c(S(=O)(=O)N[C@@H](C)CC)c1	ZINC000106888904	569855852	/nfs/dbraw/zinc/85/58/52/569855852.db2.gz	GCWGNCNFCWZYNG-ZDUSSCGKSA-N	-1	0	480.587	3.671	50	0		JHAARM
COc1ccc(OC)c([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)[O-])c1	ZINC000170615631	569872935	/nfs/dbraw/zinc/87/29/35/569872935.db2.gz	XOSOGDPGEVOHCR-NRFANRHFSA-N	-1	0	456.495	3.654	50	0		JHAARM
CC(C)(C)OC(=O)N1CC(N(CC(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000218889198	569883582	/nfs/dbraw/zinc/88/35/82/569883582.db2.gz	IJXRRVYEYNQMPR-UHFFFAOYSA-N	-1	0	452.507	3.941	50	0		JHAARM
COc1cc(OC)cc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])c1	ZINC000225498212	570000041	/nfs/dbraw/zinc/00/00/41/570000041.db2.gz	ZVBSVSLXWKWXMX-FQEVSTJZSA-N	-1	0	456.495	3.654	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000252677590	570093966	/nfs/dbraw/zinc/09/39/66/570093966.db2.gz	ZFSSEWGJMYXACM-QGZVFWFLSA-N	-1	0	495.409	3.872	50	0		JHAARM
Cc1coc2cc3oc(=O)c(CC(=O)NCCCC(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)c(C)c3cc12	ZINC000252695379	570095118	/nfs/dbraw/zinc/09/51/18/570095118.db2.gz	ZCBLPDYWQJVPMJ-IYARVYRRSA-N	-1	0	496.560	3.602	50	0	biogenic	JHAARM
COc1ccc2occ([C@H]3CC(=O)Oc4c(C(C)=O)c([O-])c5c(C)cc(=O)oc5c43)c(=O)c2c1	ZINC000253410168	570097537	/nfs/dbraw/zinc/09/75/37/570097537.db2.gz	MXHHPQLJDFGYCT-CYBMUJFWSA-N	-1	0	462.410	3.566	50	0	biogenic	JHAARM
COc1ccc(NC(=O)C[C@H](c2cc3c(c(OC)c2)OCO3)c2c([O-])cc(C)oc2=O)cc1	ZINC000253470786	570099153	/nfs/dbraw/zinc/09/91/53/570099153.db2.gz	DNWNXSNNDCBSIT-QGZVFWFLSA-N	-1	0	453.447	3.560	50	0		JHAARM
COc1cc([C@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)c(OC)c2c1OCO2	ZINC000253471702	570099493	/nfs/dbraw/zinc/09/94/93/570099493.db2.gz	XQNQDKZSWHWPQT-INIZCTEOSA-N	-1	0	493.468	3.676	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)n1	ZINC000001113646	194028651	/nfs/dbraw/zinc/02/86/51/194028651.db2.gz	FPRDNKFXUXEDKS-OAHLLOKOSA-N	-1	0	460.943	3.954	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1	ZINC000001147501	194048848	/nfs/dbraw/zinc/04/88/48/194048848.db2.gz	UZQSNIXSPQHHCX-UHFFFAOYSA-N	-1	0	462.549	3.614	50	0		JHAARM
CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)cc1	ZINC000001148415	194049478	/nfs/dbraw/zinc/04/94/78/194049478.db2.gz	DVDQFSKYYMNGBG-UHFFFAOYSA-N	-1	0	472.588	3.805	50	0		JHAARM
CCc1ccccc1NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001782180	194139131	/nfs/dbraw/zinc/13/91/31/194139131.db2.gz	FEGRICRXWLLHQI-VXKWHMMOSA-N	-1	0	461.470	3.723	50	0		JHAARM
CC[C@@H](C)[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-]	ZINC000001749965	194134212	/nfs/dbraw/zinc/13/42/12/194134212.db2.gz	HJACLWZCFFWBIQ-SGANQWHYSA-N	-1	0	495.528	3.924	50	0		JHAARM
COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1OCc1ccc(Cl)cc1	ZINC000002946073	194176119	/nfs/dbraw/zinc/17/61/19/194176119.db2.gz	VROONRTUOIXIGC-AUWJEWJLSA-N	-1	0	484.677	3.713	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCCc2ccccc21	ZINC000003351536	194295707	/nfs/dbraw/zinc/29/57/07/194295707.db2.gz	QUOOTOMIUZJCQG-UHFFFAOYSA-N	-1	0	468.506	3.763	50	0		JHAARM
CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)cc1	ZINC000003370451	194305268	/nfs/dbraw/zinc/30/52/68/194305268.db2.gz	GKPBVENUGUHEHI-UHFFFAOYSA-N	-1	0	468.503	3.965	50	0		JHAARM
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)[O-])CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C	ZINC000004098264	194377041	/nfs/dbraw/zinc/37/70/41/194377041.db2.gz	NGGMYCMLYOUNGM-CSDLUJIJSA-N	-1	0	458.551	3.915	50	0	world	JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C	ZINC000009226243	194613323	/nfs/dbraw/zinc/61/33/23/194613323.db2.gz	PADBRHONGAZPEA-UHFFFAOYSA-N	-1	0	465.531	3.612	50	0		JHAARM
CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]nc(SCC(=O)Nc4nccs4)n3c(=O)c21	ZINC000009329168	194694339	/nfs/dbraw/zinc/69/43/39/194694339.db2.gz	CHUSOCQCNWIPBU-NRFANRHFSA-N	-1	0	452.565	3.908	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)NCc4ccccc4Cl)cc3[nH]c2=O)cc1	ZINC000009429633	194772986	/nfs/dbraw/zinc/77/29/86/194772986.db2.gz	IZWNRINLLHBUEW-UHFFFAOYSA-N	-1	0	498.944	3.659	50	0		JHAARM
COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c(OC)c1	ZINC000009631924	194830518	/nfs/dbraw/zinc/83/05/18/194830518.db2.gz	RRLHFZBXAMKZHK-UHFFFAOYSA-N	-1	0	470.547	3.785	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCc4sccc4C3)ccc2OC)c(OC)c1	ZINC000009896672	195017100	/nfs/dbraw/zinc/01/71/00/195017100.db2.gz	GYGFHNAQYGSRGI-UHFFFAOYSA-N	-1	0	488.587	3.773	50	0		JHAARM
COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000009876495	195008536	/nfs/dbraw/zinc/00/85/36/195008536.db2.gz	RPZATWVBICDRDZ-LBPRGKRZSA-N	-1	0	453.358	3.787	50	0		JHAARM
O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	ZINC000012605126	195050547	/nfs/dbraw/zinc/05/05/47/195050547.db2.gz	NVFGYBCIPCMTDM-UHFFFAOYSA-N	-1	0	483.615	3.718	50	0		JHAARM
CC[C@@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CCO1	ZINC000012630992	195063223	/nfs/dbraw/zinc/06/32/23/195063223.db2.gz	GYZMBRZRTNHAAW-QGZVFWFLSA-N	-1	0	483.384	3.510	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)cc2)c1C	ZINC000012785620	195127589	/nfs/dbraw/zinc/12/75/89/195127589.db2.gz	QJQPDIXEWIRKHY-UHFFFAOYSA-N	-1	0	497.577	3.975	50	0		JHAARM
CCCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)NCCC(=O)[O-]	ZINC000012889032	195171837	/nfs/dbraw/zinc/17/18/37/195171837.db2.gz	ZFQYZAPTZBDCHJ-NRFANRHFSA-N	-1	0	498.576	3.971	50	0	biogenic	JHAARM
O=C(NCCCOC1CCCCC1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000020957076	195256991	/nfs/dbraw/zinc/25/69/91/195256991.db2.gz	OHZPQENUYGZUQP-UHFFFAOYSA-N	-1	0	474.579	3.728	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1Cl	ZINC000021089284	195274168	/nfs/dbraw/zinc/27/41/68/195274168.db2.gz	ZANYUGVONHFWNI-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
COc1ccc2c(c1)CCc1cc(C(=O)OCC(=O)[N-]C(=O)c3ccccc3OC)sc1-2	ZINC000021281395	195293075	/nfs/dbraw/zinc/29/30/75/195293075.db2.gz	KROLKFDNCLTUDY-UHFFFAOYSA-N	-1	0	451.500	3.644	50	0		JHAARM
CSc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)no4)c=3c2=O)c1	ZINC000064565386	195440864	/nfs/dbraw/zinc/44/08/64/195440864.db2.gz	ODAHHUPCAKVZBN-DLBZAZTESA-N	-1	0	454.899	3.605	50	0		JHAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)cc1	ZINC000033307611	518386185	/nfs/dbraw/zinc/38/61/85/518386185.db2.gz	LMNZKGYUUGFWCQ-UHFFFAOYSA-N	-1	0	486.619	3.936	50	0		JHAARM
CC(C)C(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1C(=O)[O-]	ZINC000045967683	519523025	/nfs/dbraw/zinc/52/30/25/519523025.db2.gz	LZCXYGYKCOROSW-UHFFFAOYSA-N	-1	0	492.498	3.759	50	0		JHAARM
CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(OC)c(OC)cc3F)cc2s1	ZINC000040146650	519880755	/nfs/dbraw/zinc/88/07/55/519880755.db2.gz	UJWKTDOKJXJCNH-UHFFFAOYSA-N	-1	0	453.517	3.992	50	0		JHAARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000033649466	521013958	/nfs/dbraw/zinc/01/39/58/521013958.db2.gz	DOPDOXGVVPXXDS-VCRXTVNUSA-N	-1	0	455.488	3.952	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C(=O)[O-])C1	ZINC000033253398	521120466	/nfs/dbraw/zinc/12/04/66/521120466.db2.gz	DNSJYXKXACXCMD-CQSZACIVSA-N	-1	0	496.969	3.627	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2c(F)c(F)cc(F)c2F)[n-]c1=O	ZINC000045900336	521227766	/nfs/dbraw/zinc/22/77/66/521227766.db2.gz	BPVZSYACZIGDOH-VIFPVBQESA-N	-1	0	495.458	3.856	50	0		JHAARM
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c12	ZINC000002159549	521348872	/nfs/dbraw/zinc/34/88/72/521348872.db2.gz	WBWXUEXWMMOOLD-GOSISDBHSA-N	-1	0	457.910	3.898	50	0	biogenic	JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O	ZINC000040450701	521553665	/nfs/dbraw/zinc/55/36/65/521553665.db2.gz	PQRRYGXXNSTPKB-LBPRGKRZSA-N	-1	0	453.358	3.946	50	0		JHAARM
CCCN1C(=O)NC(=Cc2c(Cc3ccc(F)cc3)[n-]n(-c3ccc(OC)cc3)c2=O)C1=O	ZINC000016534194	521700564	/nfs/dbraw/zinc/70/05/64/521700564.db2.gz	YDNHFEZDFUHCKK-STZFKDTASA-N	-1	0	450.470	3.619	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(C(C)=O)c3)c2)c2c(c1=O)CCCC2	ZINC000046027747	523609057	/nfs/dbraw/zinc/60/90/57/523609057.db2.gz	WFXBQJUNMIPPBP-UHFFFAOYSA-N	-1	0	481.574	3.821	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000033255786	524020073	/nfs/dbraw/zinc/02/00/73/524020073.db2.gz	GJEKTXPLUUZYTO-HZPDHXFCSA-N	-1	0	480.945	3.964	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1F	ZINC000033308027	524683756	/nfs/dbraw/zinc/68/37/56/524683756.db2.gz	NZXLDNVOQQQMOE-UHFFFAOYSA-N	-1	0	453.499	3.895	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)c1	ZINC000033122268	524879136	/nfs/dbraw/zinc/87/91/36/524879136.db2.gz	KUEHMRSDCBWHCL-UHFFFAOYSA-N	-1	0	471.564	3.710	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1C	ZINC000049002746	524928794	/nfs/dbraw/zinc/92/87/94/524928794.db2.gz	FSZGESCCVBWUMR-ZWKOTPCHSA-N	-1	0	481.310	3.609	50	0		JHAARM
Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cc(Cl)ccc2OCC(=O)[O-])cc1C	ZINC000016312391	525019737	/nfs/dbraw/zinc/01/97/37/525019737.db2.gz	FJAABSPVCFJIFI-HXUWFJFHSA-N	-1	0	459.955	3.852	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C(C)C)ccc4n3)CC2)cc1	ZINC000033260669	525053700	/nfs/dbraw/zinc/05/37/00/525053700.db2.gz	XTUDUJQRRAUXND-UHFFFAOYSA-N	-1	0	489.576	3.597	50	0		JHAARM
C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccc(CC(=O)[O-])cc1	ZINC000008637056	525913782	/nfs/dbraw/zinc/91/37/82/525913782.db2.gz	PVRPMMUTJPQVIO-VGSWGCGISA-N	-1	0	457.523	3.856	50	0		JHAARM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1cccc(I)c1	ZINC000012349826	526345738	/nfs/dbraw/zinc/34/57/38/526345738.db2.gz	BWPOGIOOPLYFDY-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000033078800	526350695	/nfs/dbraw/zinc/35/06/95/526350695.db2.gz	ILXVKPKRTOGXNU-UHFFFAOYSA-N	-1	0	494.498	3.676	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000006146917	526701354	/nfs/dbraw/zinc/70/13/54/526701354.db2.gz	JQMFPKHYCKHVLV-UHFFFAOYSA-N	-1	0	489.347	3.909	50	0		JHAARM
O=C([O-])CCNC(=O)c1ccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccco2)cc1	ZINC000016319897	527590919	/nfs/dbraw/zinc/59/09/19/527590919.db2.gz	JPIADCBEUWCQFS-XMHGGMMESA-N	-1	0	481.892	3.547	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)no1	ZINC000000674370	553747788	/nfs/dbraw/zinc/74/77/88/553747788.db2.gz	DHNFBGHMPSLEDO-UHFFFAOYSA-N	-1	0	466.313	3.564	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)ncn1	ZINC000000945083	553878980	/nfs/dbraw/zinc/87/89/80/553878980.db2.gz	LSEHWWUELQYVBM-UHFFFAOYSA-N	-1	0	453.307	3.845	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)nc(OC)n1	ZINC000000955278	553883234	/nfs/dbraw/zinc/88/32/34/553883234.db2.gz	RASCMMSIFMCQDC-KPKJPENVSA-N	-1	0	474.926	3.600	50	0		JHAARM
CCOc1ccc(C(=O)Oc2c(I)cc(S(=O)(=O)[O-])c3cccnc32)cc1	ZINC000002061678	554017776	/nfs/dbraw/zinc/01/77/76/554017776.db2.gz	RCHGXRCCFIHTGY-UHFFFAOYSA-N	-1	0	499.282	3.704	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)oc2c1C	ZINC000002096698	554040875	/nfs/dbraw/zinc/04/08/75/554040875.db2.gz	JRPNNSNRNQNOMT-NRFANRHFSA-N	-1	0	462.502	3.644	50	0	biogenic	JHAARM
CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-]	ZINC000002107671	554047230	/nfs/dbraw/zinc/04/72/30/554047230.db2.gz	UJQRCNRDMFFKRT-SFHVURJKSA-N	-1	0	457.548	3.982	50	0	biogenic	JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1	ZINC000002146185	554066277	/nfs/dbraw/zinc/06/62/77/554066277.db2.gz	LOKUUAWJTOFCDE-ZDUSSCGKSA-N	-1	0	487.969	3.871	50	0		JHAARM
COc1ccc(-n2c3nnc(SCC(=O)[O-])n3c3sc4c(c3c2=O)CCCCC4)cc1	ZINC000002313769	554144425	/nfs/dbraw/zinc/14/44/25/554144425.db2.gz	QWCZTMQSJIOKBY-UHFFFAOYSA-N	-1	0	456.549	3.549	50	0		JHAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)cc1	ZINC000002316566	554146038	/nfs/dbraw/zinc/14/60/38/554146038.db2.gz	JTWUTLXJHZUKIR-UHFFFAOYSA-N	-1	0	452.970	3.724	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000002636384	554256969	/nfs/dbraw/zinc/25/69/69/554256969.db2.gz	QGPIXMSHBJINPO-UHFFFAOYSA-N	-1	0	496.469	3.666	50	0		JHAARM
CCS(=O)(=O)N1CCC[C@@H](c2nnc([N-]c3ccn(Cc4ccccc4Cl)n3)s2)C1	ZINC000002732271	554316409	/nfs/dbraw/zinc/31/64/09/554316409.db2.gz	JNCYXCMRGWCEIA-OAHLLOKOSA-N	-1	0	467.020	3.709	50	0		JHAARM
O=C([O-])c1cc(NC(=O)CSc2ccccn2)cc(NC(=O)CSc2ccccn2)c1	ZINC000002746966	554324695	/nfs/dbraw/zinc/32/46/95/554324695.db2.gz	KPMSMZJCXLMOBY-UHFFFAOYSA-N	-1	0	454.533	3.636	50	0		JHAARM
CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cn(C)nc4C(=O)[O-])c3n2)s1	ZINC000002806427	554357147	/nfs/dbraw/zinc/35/71/47/554357147.db2.gz	MIDUOOFKDVQIEX-UHFFFAOYSA-N	-1	0	464.429	3.723	50	0		JHAARM
O=C1c2ccccc2-c2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc21	ZINC000002870961	554395658	/nfs/dbraw/zinc/39/56/58/554395658.db2.gz	KWSBMWQQKVIEOR-UHFFFAOYSA-N	-1	0	497.579	3.956	50	0		JHAARM
O=C([O-])[C@@H](C(=O)Oc1ccccc1)[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)Oc1ccccc1	ZINC000003109890	554426460	/nfs/dbraw/zinc/42/64/60/554426460.db2.gz	VWCJRAYBGYWONK-UXHICEINSA-N	-1	0	467.861	3.807	50	0		JHAARM
CCCCN1C(=O)/C(=C/C=C2/Oc3ccccc3N2CCCCS(=O)(=O)[O-])N(CC)C1=S	ZINC000005946193	554497258	/nfs/dbraw/zinc/49/72/58/554497258.db2.gz	ASKJNLOFEWHBRP-KCAJXKFRSA-N	-1	0	479.624	3.528	50	0		JHAARM
O=C(Nc1ccccc1N1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000006147021	554510713	/nfs/dbraw/zinc/51/07/13/554510713.db2.gz	FEFPMQDHAPTSSP-UHFFFAOYSA-N	-1	0	473.501	3.855	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1	ZINC000006245290	554521691	/nfs/dbraw/zinc/52/16/91/554521691.db2.gz	QBPFIRQHWBQZAY-SFHVURJKSA-N	-1	0	482.558	3.920	50	0		JHAARM
COc1ccc(C[C@@H](C(=O)Nc2ccc(I)cc2)[C@H](C)C(=O)[O-])cc1	ZINC000008432459	554585842	/nfs/dbraw/zinc/58/58/42/554585842.db2.gz	UNTXCKRKTHFGCQ-YVEFUNNKSA-N	-1	0	453.276	3.818	50	0		JHAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000008742969	554645658	/nfs/dbraw/zinc/64/56/58/554645658.db2.gz	GTBYYVAKXYVRHX-BVSLBCMMSA-N	-1	0	480.565	3.666	50	0	biogenic	JHAARM
Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(Br)c([O-])c(Br)c1	ZINC000008813844	554696312	/nfs/dbraw/zinc/69/63/12/554696312.db2.gz	KILORMQNIFLYBG-UHFFFAOYSA-N	-1	0	458.110	3.572	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000008815777	554697413	/nfs/dbraw/zinc/69/74/13/554697413.db2.gz	VWVQAIVKCRFKMG-BBJIBYMTSA-N	-1	0	484.530	3.839	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(C)ccc4O)[nH]n3)cc2)c1C	ZINC000008845332	554742381	/nfs/dbraw/zinc/74/23/81/554742381.db2.gz	KPNBPLBCYGNVRE-UHFFFAOYSA-N	-1	0	467.507	3.749	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)NCCCCCC(=O)[O-])c3c4c(c(=O)oc23)CCC4)O1	ZINC000008877482	554772901	/nfs/dbraw/zinc/77/29/01/554772901.db2.gz	GBYYTQZWNVHZTE-UHFFFAOYSA-N	-1	0	457.523	3.525	50	0	biogenic	JHAARM
CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1)C(=O)[O-]	ZINC000008877773	554773365	/nfs/dbraw/zinc/77/33/65/554773365.db2.gz	WZOFYXICHCTAOM-AIYSXCBHSA-N	-1	0	456.539	3.869	50	0	biogenic	JHAARM
CCOC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1	ZINC000009002295	554859681	/nfs/dbraw/zinc/85/96/81/554859681.db2.gz	FHNPTCCULKPYLX-UHFFFAOYSA-N	-1	0	451.522	3.905	50	0		JHAARM
CCOc1ccccc1N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000009096875	554895311	/nfs/dbraw/zinc/89/53/11/554895311.db2.gz	FRZWUSWRAPHSPM-UHFFFAOYSA-N	-1	0	483.565	3.988	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ccccc3F)CC2)c1	ZINC000009096881	554895397	/nfs/dbraw/zinc/89/53/97/554895397.db2.gz	YOXUAZAAHJGJDO-UHFFFAOYSA-N	-1	0	483.565	3.906	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NS(=O)(=O)c3cccc(C)c3)ccc2OC)cc1	ZINC000009130174	554929303	/nfs/dbraw/zinc/92/93/03/554929303.db2.gz	GEKYZBCLXMNKSC-UHFFFAOYSA-N	-1	0	462.549	3.614	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(F)ccc2CN2C(=O)c3cccnc3C2=O)c1	ZINC000009153273	554942645	/nfs/dbraw/zinc/94/26/45/554942645.db2.gz	MCVICQFQRUEVJJ-UHFFFAOYSA-N	-1	0	499.520	3.615	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCCC1	ZINC000009376019	555136727	/nfs/dbraw/zinc/13/67/27/555136727.db2.gz	ZJIUSFRETJGGPW-UHFFFAOYSA-N	-1	0	463.357	3.802	50	0		JHAARM
CCc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccc(OC)cc2)c3[O-])cc1	ZINC000009429664	555196868	/nfs/dbraw/zinc/19/68/68/555196868.db2.gz	SXYQBTQGEGTPHV-UHFFFAOYSA-N	-1	0	478.526	3.890	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccncc2)ccc1N1CCCC1	ZINC000009444263	555217094	/nfs/dbraw/zinc/21/70/94/555217094.db2.gz	ABIAKGBNPLWPNO-UHFFFAOYSA-N	-1	0	452.536	3.744	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1N1CCOCC1	ZINC000009509698	555297919	/nfs/dbraw/zinc/29/79/19/555297919.db2.gz	UZPXMEGTNMTYFH-UHFFFAOYSA-N	-1	0	461.584	3.707	50	0		JHAARM
COc1cc(C)c(CN2CCN(C(=O)COc3cc4ccccc4cc3C(=O)[O-])CC2)cc1OC	ZINC000009634858	555340722	/nfs/dbraw/zinc/34/07/22/555340722.db2.gz	RQQYMTWQYFTBCS-UHFFFAOYSA-N	-1	0	478.545	3.587	50	0		JHAARM
CCN(CC)c1ccc(NC(=O)c2ccccn2)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000009662355	555367853	/nfs/dbraw/zinc/36/78/53/555367853.db2.gz	XZHOFVJPQCTQMG-UHFFFAOYSA-N	-1	0	454.552	3.990	50	0		JHAARM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1)N1CCCCC1	ZINC000009670139	555386375	/nfs/dbraw/zinc/38/63/75/555386375.db2.gz	HGKDOWLAVREWKN-UHFFFAOYSA-N	-1	0	463.987	3.604	50	0		JHAARM
COc1cccc(N2CCN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)CC2)c1	ZINC000009591001	555404096	/nfs/dbraw/zinc/40/40/96/555404096.db2.gz	QSSNDKKDWHODMJ-UHFFFAOYSA-N	-1	0	475.574	3.766	50	0		JHAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000019923715	555540233	/nfs/dbraw/zinc/54/02/33/555540233.db2.gz	LXLJYIUZMHGZAJ-WOJBJXKFSA-N	-1	0	467.953	3.908	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc2oc(=O)ccc2c1	ZINC000013689030	555582319	/nfs/dbraw/zinc/58/23/19/555582319.db2.gz	BGFKBTNJXXYRNO-UHFFFAOYSA-N	-1	0	475.935	3.885	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1cc(OC)c(OC)cc1OC)N(C)C2=O	ZINC000020104768	555637440	/nfs/dbraw/zinc/63/74/40/555637440.db2.gz	KHDARFHXDIOBGP-VXKWHMMOSA-N	-1	0	459.495	3.505	50	0		JHAARM
CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)c1	ZINC000010272766	555667067	/nfs/dbraw/zinc/66/70/67/555667067.db2.gz	FQKFHQHTJRAGGX-UHFFFAOYSA-N	-1	0	482.008	3.709	50	0		JHAARM
CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[n-]1)C(=O)Nc1ccc(C)cc1	ZINC000010433702	555708075	/nfs/dbraw/zinc/70/80/75/555708075.db2.gz	DIPPCBCJNZDRJE-GOSISDBHSA-N	-1	0	457.577	3.729	50	0		JHAARM
CCOC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)CC1	ZINC000014155316	555713446	/nfs/dbraw/zinc/71/34/46/555713446.db2.gz	GWKWKJNEVNDLHZ-UHFFFAOYSA-N	-1	0	479.986	3.672	50	0		JHAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N(C)C)cc1	ZINC000010923435	555747709	/nfs/dbraw/zinc/74/77/09/555747709.db2.gz	SLDVBYJPYFSZGU-HNNXBMFYSA-N	-1	0	473.576	3.799	50	0		JHAARM
CC[C@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccccc3C)c2C(=O)OC)C1	ZINC000011912295	555860620	/nfs/dbraw/zinc/86/06/20/555860620.db2.gz	XLCMSDJSPKULLJ-AWEZNQCLSA-N	-1	0	464.609	3.965	50	0		JHAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC)cc1OC	ZINC000022021397	555862855	/nfs/dbraw/zinc/86/28/55/555862855.db2.gz	PIUUBCGWJBWSKP-UHFFFAOYSA-N	-1	0	476.532	3.605	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(F)c(F)c(F)c(F)c3F)cc2)c1C	ZINC000011916151	555867227	/nfs/dbraw/zinc/86/72/27/555867227.db2.gz	RCCCVKPKBJPZAE-UHFFFAOYSA-N	-1	0	491.394	3.805	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1C)CN(C(=O)C1=CCCC1)CC2	ZINC000015068618	555868734	/nfs/dbraw/zinc/86/87/34/555868734.db2.gz	LAESWPRNCXOAAD-UHFFFAOYSA-N	-1	0	474.604	3.947	50	0		JHAARM
O=C([O-])[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000015721393	555955906	/nfs/dbraw/zinc/95/59/06/555955906.db2.gz	CRRQIRUSEYKWPF-XMMPIXPASA-N	-1	0	473.529	3.974	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1	ZINC000022852247	555959203	/nfs/dbraw/zinc/95/92/03/555959203.db2.gz	UBJGXPKQOYDHSO-KRWDZBQOSA-N	-1	0	471.514	3.759	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N1CCN(c3cc(C)ccc3C)CC1)c2=O	ZINC000012415906	555977508	/nfs/dbraw/zinc/97/75/08/555977508.db2.gz	HWVOAALTDQLJGO-UHFFFAOYSA-N	-1	0	494.617	3.592	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1	ZINC000012536059	556008947	/nfs/dbraw/zinc/00/89/47/556008947.db2.gz	POGAFOTWHQXJCI-DHZHZOJOSA-N	-1	0	491.613	3.967	50	0		JHAARM
COc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000012552581	556035958	/nfs/dbraw/zinc/03/59/58/556035958.db2.gz	HISBFCQNMIPHBC-UHFFFAOYSA-N	-1	0	468.531	3.506	50	0		JHAARM
COC(=O)c1cc(CNC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)ccc1OC	ZINC000012558596	556048607	/nfs/dbraw/zinc/04/86/07/556048607.db2.gz	VZEGMMYGMFFLAR-UHFFFAOYSA-N	-1	0	469.563	3.731	50	0		JHAARM
Cc1cnc2c(cccc2S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)c1	ZINC000023371928	556049779	/nfs/dbraw/zinc/04/97/79/556049779.db2.gz	VJOMIHJEJRBACI-UHFFFAOYSA-N	-1	0	451.504	3.563	50	0		JHAARM
O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1	ZINC000015879913	556051699	/nfs/dbraw/zinc/05/16/99/556051699.db2.gz	MLRYQWYDWNVGHE-BKUYFWCQSA-N	-1	0	489.459	3.634	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1	ZINC000012564396	556059995	/nfs/dbraw/zinc/05/99/95/556059995.db2.gz	DOKDRNDTVDTZQG-UHFFFAOYSA-N	-1	0	495.601	3.857	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000015919296	556066712	/nfs/dbraw/zinc/06/67/12/556066712.db2.gz	LXEWKVNWRYYKDL-RTWAWAEBSA-N	-1	0	465.550	3.913	50	0		JHAARM
COC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(OC)cc2)CC1	ZINC000023666930	556082570	/nfs/dbraw/zinc/08/25/70/556082570.db2.gz	UYCJMVPGDLNRDB-GOSISDBHSA-N	-1	0	468.535	3.739	50	0		JHAARM
CCn1nnc2cc(C(=O)Nc3ccc(OC)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)ccc21	ZINC000023690571	556083577	/nfs/dbraw/zinc/08/35/77/556083577.db2.gz	VXZJWZBXRAXKAZ-UHFFFAOYSA-N	-1	0	469.498	3.652	50	0		JHAARM
CCN1C[C@@H](CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)Oc2ccccc21	ZINC000024276106	556128265	/nfs/dbraw/zinc/12/82/65/556128265.db2.gz	WJYZQXHGMZYUSM-LJQANCHMSA-N	-1	0	471.604	3.908	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3ccc(OC)cc3OC)cs2)cc1	ZINC000016848539	556170072	/nfs/dbraw/zinc/17/00/72/556170072.db2.gz	FIJBIXILOVIUGH-UHFFFAOYSA-N	-1	0	477.564	3.541	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1	ZINC000016848585	556170077	/nfs/dbraw/zinc/17/00/77/556170077.db2.gz	HCQJTOSFRPZNLU-UHFFFAOYSA-N	-1	0	488.610	3.673	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1	ZINC000016890496	556171530	/nfs/dbraw/zinc/17/15/30/556171530.db2.gz	SVVVGRDKQBBJGZ-UHFFFAOYSA-N	-1	0	482.946	3.876	50	0		JHAARM
COc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1	ZINC000017053566	556214124	/nfs/dbraw/zinc/21/41/24/556214124.db2.gz	SVUNMULTGQLEOH-UHFFFAOYSA-N	-1	0	469.505	3.893	50	0		JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)c1	ZINC000025475605	556217695	/nfs/dbraw/zinc/21/76/95/556217695.db2.gz	FOPLXYWIYXKTQX-UHFFFAOYSA-N	-1	0	464.341	3.695	50	0		JHAARM
CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000026898150	556265486	/nfs/dbraw/zinc/26/54/86/556265486.db2.gz	MDJLYIHNKUJSBA-TZIWHRDSSA-N	-1	0	452.507	3.845	50	0		JHAARM
COc1ccc2[nH]c(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)nc2c1	ZINC000018254497	556316854	/nfs/dbraw/zinc/31/68/54/556316854.db2.gz	VDUOQQNGBJAFDX-UHFFFAOYSA-N	-1	0	487.563	3.708	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)ccc1F	ZINC000018838722	556324821	/nfs/dbraw/zinc/32/48/21/556324821.db2.gz	UESQGSRFZNCSAZ-OAHLLOKOSA-N	-1	0	486.521	3.897	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1	ZINC000013130230	556355056	/nfs/dbraw/zinc/35/50/56/556355056.db2.gz	WMROGXGPDXTMBI-JXCKLXDISA-N	-1	0	471.488	3.890	50	0	biogenic	JHAARM
CCCSc1nc([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1	ZINC000013136784	556367283	/nfs/dbraw/zinc/36/72/83/556367283.db2.gz	GIJRQAQSWSUCFE-SFHVURJKSA-N	-1	0	454.504	3.717	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1	ZINC000031817691	556407741	/nfs/dbraw/zinc/40/77/41/556407741.db2.gz	GLONQFTWNGOHQU-QHCPKHFHSA-N	-1	0	484.940	3.573	50	0		JHAARM
Cc1nnc(SCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)[n-]c1=O	ZINC000032911223	556536165	/nfs/dbraw/zinc/53/61/65/556536165.db2.gz	VOXNIHAHUCSGSE-UHFFFAOYSA-N	-1	0	463.441	3.888	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccccc4)cc3C(=O)[O-])CC2)cc1	ZINC000032961575	556578033	/nfs/dbraw/zinc/57/80/33/556578033.db2.gz	UNDJFOGSANKKCV-UHFFFAOYSA-N	-1	0	479.558	3.715	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000001123868	562919779	/nfs/dbraw/zinc/91/97/79/562919779.db2.gz	ACWYHAKFRZJNKM-RTWAWAEBSA-N	-1	0	463.534	3.689	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000008696109	562954676	/nfs/dbraw/zinc/95/46/76/562954676.db2.gz	HXCIFDQWZQOMLL-UHFFFAOYSA-N	-1	0	497.820	3.552	50	0		JHAARM
COc1cc(OC)cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)[O-])c1	ZINC000008700666	569593625	/nfs/dbraw/zinc/59/36/25/569593625.db2.gz	RXXDEUBVTXIELB-ZEQRLZLVSA-N	-1	0	463.486	3.729	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(Cc3ccccc3F)CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000032962005	569602609	/nfs/dbraw/zinc/60/26/09/569602609.db2.gz	CGOZHAFIAOBCIY-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
CCOC(=O)[C@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Cc1ccccc1	ZINC000062577306	569611582	/nfs/dbraw/zinc/61/15/82/569611582.db2.gz	CBWIJMLKAKNXND-FQEVSTJZSA-N	-1	0	486.615	3.630	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cc(F)ccc1F	ZINC000064774692	569626887	/nfs/dbraw/zinc/62/68/87/569626887.db2.gz	RCDFKINBRRKQDJ-KRWDZBQOSA-N	-1	0	459.478	3.990	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1	ZINC000065022548	569649258	/nfs/dbraw/zinc/64/92/58/569649258.db2.gz	DBLBMSJZNHKUDL-UHFFFAOYSA-N	-1	0	488.953	3.889	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ncccc3C)c(C)n2C)sc1C(=O)N1CCCCCC1	ZINC000065036256	569653245	/nfs/dbraw/zinc/65/32/45/569653245.db2.gz	KJPHMDSDHYKKOH-UHFFFAOYSA-N	-1	0	487.651	4.286	50	0		JHAARM
CCCOc1ccc(-c2nnc(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)[n-]2)cc1	ZINC000034763797	569658102	/nfs/dbraw/zinc/65/81/02/569658102.db2.gz	HOXOHOWUFGHWTP-UHFFFAOYSA-N	-1	0	481.984	3.968	50	0		JHAARM
COc1ccccc1CCNC(=O)CCc1nnc(-c2cccc(OCC3CCC3)c2)[n-]c1=O	ZINC000034765796	569658369	/nfs/dbraw/zinc/65/83/69/569658369.db2.gz	KAKAINXIGWWDBC-UHFFFAOYSA-N	-1	0	462.550	3.723	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)ccc1OCC1CCC1	ZINC000034767364	569658781	/nfs/dbraw/zinc/65/87/81/569658781.db2.gz	QDOIEVJODXFWIR-UHFFFAOYSA-N	-1	0	466.513	3.820	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccc4c3CCCC4)c2)no1)N1CCCC1	ZINC000065097479	569661122	/nfs/dbraw/zinc/66/11/22/569661122.db2.gz	HTCRXGUWVRXHEF-UHFFFAOYSA-N	-1	0	458.565	3.714	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)ccc1Br	ZINC000065097423	569661167	/nfs/dbraw/zinc/66/11/67/569661167.db2.gz	DYYZYFYWYACHBW-UHFFFAOYSA-N	-1	0	497.396	3.906	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1Cl	ZINC000065097348	569661186	/nfs/dbraw/zinc/66/11/86/569661186.db2.gz	GFNRYYNBZFLGBF-UHFFFAOYSA-N	-1	0	498.970	3.506	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1	ZINC000065098935	569661916	/nfs/dbraw/zinc/66/19/16/569661916.db2.gz	VZURTJKKFRIHCE-UHFFFAOYSA-N	-1	0	462.553	3.624	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)c1	ZINC000065137422	569668198	/nfs/dbraw/zinc/66/81/98/569668198.db2.gz	NUGLXXHQJVYEKZ-UHFFFAOYSA-N	-1	0	472.592	3.696	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)c1	ZINC000035527530	569699341	/nfs/dbraw/zinc/69/93/41/569699341.db2.gz	IZTHZZWOZPNGKV-UHFFFAOYSA-N	-1	0	477.502	3.888	50	0		JHAARM
CC(C)[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C	ZINC000072191531	569700019	/nfs/dbraw/zinc/70/00/19/569700019.db2.gz	COPWPTXCXATKBJ-LJQANCHMSA-N	-1	0	485.541	3.510	50	0		JHAARM
CN(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1nc2c(cccc2Cl)s1	ZINC000077196762	569705075	/nfs/dbraw/zinc/70/50/75/569705075.db2.gz	ZECCCTIURLDARB-UHFFFAOYSA-N	-1	0	488.982	3.615	50	0		JHAARM
O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O	ZINC000078648419	569706468	/nfs/dbraw/zinc/70/64/68/569706468.db2.gz	HZPLRRTYRLNZPX-UHFFFAOYSA-N	-1	0	454.533	3.752	50	0		JHAARM
CCc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(Cl)c2)C1=O	ZINC000035836825	569713450	/nfs/dbraw/zinc/71/34/50/569713450.db2.gz	XZINUARCKUXYKI-NDENLUEZSA-N	-1	0	452.898	3.895	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC	ZINC000085653424	569714146	/nfs/dbraw/zinc/71/41/46/569714146.db2.gz	LLSVDFMFOVHDFD-UHFFFAOYSA-N	-1	0	496.545	3.631	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000085652149	569714204	/nfs/dbraw/zinc/71/42/04/569714204.db2.gz	ROFSGAMSMZEBPX-UHFFFAOYSA-N	-1	0	484.509	3.761	50	0		JHAARM
O=C(C[C@@H](c1ccc(O)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096113986	569733152	/nfs/dbraw/zinc/73/31/52/569733152.db2.gz	JMYBDGBGOHMNFD-FQEVSTJZSA-N	-1	0	487.508	3.958	50	0	biogenic	JHAARM
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000096601933	569742344	/nfs/dbraw/zinc/74/23/44/569742344.db2.gz	IVFRUKAIKIDYLR-AUULXWSHSA-N	-1	0	465.594	3.637	50	0		JHAARM
O=C(CCc1nc2cc(Cl)ccc2[nH]1)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1	ZINC000097942126	569746112	/nfs/dbraw/zinc/74/61/12/569746112.db2.gz	INXQQUICFNHJLX-UHFFFAOYSA-N	-1	0	472.936	3.737	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3ccncc3)CC1)cn2Cc1ccccc1	ZINC000036353678	569771377	/nfs/dbraw/zinc/77/13/77/569771377.db2.gz	KFEPFILQNGACMK-AREMUKBSSA-N	-1	0	484.556	3.726	50	0		JHAARM
O=C([O-])c1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(c4ccccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036352781	569771518	/nfs/dbraw/zinc/77/15/18/569771518.db2.gz	YISSDEHMXCIEHP-RUZDIDTESA-N	-1	0	470.529	3.731	50	0		JHAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccc(F)cc21	ZINC000036353436	569771534	/nfs/dbraw/zinc/77/15/34/569771534.db2.gz	OYOHTNUZOXNBJQ-NRFANRHFSA-N	-1	0	494.445	3.617	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(CCc3ccccn3)CC1)cn2Cc1ccccc1	ZINC000036360524	569772681	/nfs/dbraw/zinc/77/26/81/569772681.db2.gz	PPTCELWZMJIQID-HHHXNRCGSA-N	-1	0	498.583	3.769	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1C	ZINC000101109364	569783164	/nfs/dbraw/zinc/78/31/64/569783164.db2.gz	SHIYPPXFFZPOMU-ROUUACIJSA-N	-1	0	481.310	3.609	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000101169079	569785759	/nfs/dbraw/zinc/78/57/59/569785759.db2.gz	VBXJDNPYCLIYDI-VXKWHMMOSA-N	-1	0	477.427	3.689	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000101174410	569785962	/nfs/dbraw/zinc/78/59/62/569785962.db2.gz	GKPHNLBMVNMGAK-DNQXCXABSA-N	-1	0	469.501	3.973	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)c=3c2=O)cc1Cl	ZINC000101262669	569788306	/nfs/dbraw/zinc/78/83/06/569788306.db2.gz	OJFVKAPYLRBJQG-WOJBJXKFSA-N	-1	0	480.912	3.979	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc6c(c5)CCC6)c(=O)c3=4)n2)cc1	ZINC000101262385	569788322	/nfs/dbraw/zinc/78/83/22/569788322.db2.gz	IFAHPKJYVYFKJP-FCHUYYIVSA-N	-1	0	472.505	3.506	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C(F)(F)F)c4)c=3c2=O)cc1	ZINC000101417050	569797381	/nfs/dbraw/zinc/79/73/81/569797381.db2.gz	LWCBTLDTSUMBNK-RBUKOAKNSA-N	-1	0	459.428	3.761	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101892648	569807324	/nfs/dbraw/zinc/80/73/24/569807324.db2.gz	YDWPBVCEEGASAL-QZTJIDSGSA-N	-1	0	486.410	3.648	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101893027	569807457	/nfs/dbraw/zinc/80/74/57/569807457.db2.gz	AQWHOBYEKLRTCA-RBUKOAKNSA-N	-1	0	466.885	3.671	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000102289780	569812100	/nfs/dbraw/zinc/81/21/00/569812100.db2.gz	HWMJTDLEIXLIDW-KDURUIRLSA-N	-1	0	456.564	3.788	50	0		JHAARM
Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)no1	ZINC000040087034	569815809	/nfs/dbraw/zinc/81/58/09/569815809.db2.gz	RFYPZYQAHIOJGK-ZDUSSCGKSA-N	-1	0	480.593	3.544	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c(OC)c1	ZINC000040450590	569828785	/nfs/dbraw/zinc/82/87/85/569828785.db2.gz	LARCTKHFCGZGBI-LLVKDONJSA-N	-1	0	469.357	3.565	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2)N1N=C(c2ccc(OC(F)F)cc2)C[C@H]1c1ccccc1	ZINC000239038425	570048639	/nfs/dbraw/zinc/04/86/39/570048639.db2.gz	DDNBIKIMHZHHII-CAOCKLPOSA-N	-1	0	544.518	3.959	50	0		JHAARM
O=C([O-])CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1cccc(Cl)c1	ZINC000239762522	570052807	/nfs/dbraw/zinc/05/28/07/570052807.db2.gz	CLVVSDJXAFALDW-LJQANCHMSA-N	-1	0	451.704	3.837	50	0		JHAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245257869	570060694	/nfs/dbraw/zinc/06/06/94/570060694.db2.gz	FVOVJCMDSUYMEV-IYIKMHAFSA-N	-1	0	498.626	3.555	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2c(C)nc3sccn23)cc1	ZINC000251016343	570079277	/nfs/dbraw/zinc/07/92/77/570079277.db2.gz	IDCIYEAPGCORHO-UHFFFAOYSA-N	-1	0	486.535	3.868	50	0		JHAARM
COc1ccc([C@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1O	ZINC000253471614	570099521	/nfs/dbraw/zinc/09/95/21/570099521.db2.gz	VYWYLCOXWUBTCX-INIZCTEOSA-N	-1	0	485.489	3.555	50	0		JHAARM
COc1ccccc1CNC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c([O-])cc(C)oc1=O	ZINC000263586836	570172049	/nfs/dbraw/zinc/17/20/49/570172049.db2.gz	YKONQSBRONLIIB-SFHVURJKSA-N	-1	0	483.517	3.527	50	0	biogenic	JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)nc(C)n1	ZINC000001125523	194035926	/nfs/dbraw/zinc/03/59/26/194035926.db2.gz	ZRXDAIGLNKNDIN-KRWDZBQOSA-N	-1	0	454.552	3.917	50	0		JHAARM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	ZINC000001786954	194140040	/nfs/dbraw/zinc/14/00/40/194140040.db2.gz	HFGXHQKOJOFFOH-VQTJNVASSA-N	-1	0	467.861	3.814	50	0		JHAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N[C@@H]1CCCc2ccccc21	ZINC000003346601	194293459	/nfs/dbraw/zinc/29/34/59/194293459.db2.gz	NSKWBSVVKWQHSH-HXUWFJFHSA-N	-1	0	470.572	3.900	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(F)cc1)C(C)C	ZINC000009944321	195030490	/nfs/dbraw/zinc/03/04/90/195030490.db2.gz	VUTKPIWCIXDSHF-FQEVSTJZSA-N	-1	0	499.568	3.993	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CCc2ccc3c(c2)OCO3)c1	ZINC000012630268	195062334	/nfs/dbraw/zinc/06/23/34/195062334.db2.gz	VOUXKTAOTFQLIJ-UHFFFAOYSA-N	-1	0	470.503	3.502	50	0		JHAARM
Cc1nc2nc(SC[C@H](O)COc3ccc(-c4ccccc4)cc3)nn2c(C)c1CC(=O)[O-]	ZINC000012817660	195147837	/nfs/dbraw/zinc/14/78/37/195147837.db2.gz	PQUPWCUKTJSSSP-LJQANCHMSA-N	-1	0	464.547	3.567	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000012896582	195175640	/nfs/dbraw/zinc/17/56/40/195175640.db2.gz	BCONSNMHVHWOBN-KVFOXVCZSA-N	-1	0	486.565	3.877	50	0	biogenic	JHAARM
CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000012896576	195175652	/nfs/dbraw/zinc/17/56/52/195175652.db2.gz	BCONSNMHVHWOBN-ZNZBMKLDSA-N	-1	0	486.565	3.877	50	0	biogenic	JHAARM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1	ZINC000021358771	195298411	/nfs/dbraw/zinc/29/84/11/195298411.db2.gz	LKPJPFWMWXUFCX-UHFFFAOYSA-N	-1	0	493.497	3.644	50	0		JHAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)cc1	ZINC000065010737	518385705	/nfs/dbraw/zinc/38/57/05/518385705.db2.gz	FPJIQSNCVCOOJM-UHFFFAOYSA-N	-1	0	470.547	3.834	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)CC1	ZINC000016448797	520572193	/nfs/dbraw/zinc/57/21/93/520572193.db2.gz	XTUASNCPKGTXOX-UHFFFAOYSA-N	-1	0	464.971	3.865	50	0		JHAARM
CCOC(=O)Cc1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)n1	ZINC000006146132	520912485	/nfs/dbraw/zinc/91/24/85/520912485.db2.gz	DRUXEGAMEBKNNQ-UHFFFAOYSA-N	-1	0	481.502	3.580	50	0		JHAARM
CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1OC	ZINC000008606762	520919566	/nfs/dbraw/zinc/91/95/66/520919566.db2.gz	KHXJPZQVBCUHKK-UHFFFAOYSA-N	-1	0	456.524	3.554	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)cc(C)c2)C1	ZINC000033253882	521121367	/nfs/dbraw/zinc/12/13/67/521121367.db2.gz	INGDGRIYHMZGPA-GOSISDBHSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])C1	ZINC000033253423	521303074	/nfs/dbraw/zinc/30/30/74/521303074.db2.gz	BXPBTBLQBIYYIU-HNNXBMFYSA-N	-1	0	480.970	3.927	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(Cl)cc1)CN(C(=O)CC(C)C)CC2	ZINC000014993380	521791818	/nfs/dbraw/zinc/79/18/18/521791818.db2.gz	ZYQSUHMVAWHIKY-UHFFFAOYSA-N	-1	0	471.000	3.920	50	0		JHAARM
COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(-c2cnc(C)o2)cc1	ZINC000012525765	521800559	/nfs/dbraw/zinc/80/05/59/521800559.db2.gz	WNZMKFVWHFPOJF-UHFFFAOYSA-N	-1	0	451.298	4.000	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCc3cccnc3)c(=O)[n-]2)ccc1OCc1cccc(F)c1	ZINC000034766658	521908839	/nfs/dbraw/zinc/90/88/39/521908839.db2.gz	DGWORWVNWWOIJG-UHFFFAOYSA-N	-1	0	489.507	3.615	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(CC)cc3)c1)NC(=O)CCC2=O	ZINC000033276720	522707256	/nfs/dbraw/zinc/70/72/56/522707256.db2.gz	OIRNMONGFUIUDR-UHFFFAOYSA-N	-1	0	482.562	3.857	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1Cl	ZINC000008608158	522815508	/nfs/dbraw/zinc/81/55/08/522815508.db2.gz	TUNMSJFNDDEZOD-UHFFFAOYSA-N	-1	0	484.018	3.985	50	0		JHAARM
COc1cc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC	ZINC000022610010	522952679	/nfs/dbraw/zinc/95/26/79/522952679.db2.gz	RTRQSKXQCQLBDV-HXUWFJFHSA-N	-1	0	499.568	3.573	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000033123163	523074861	/nfs/dbraw/zinc/07/48/61/523074861.db2.gz	JVPMIIZNAKGNBV-UHFFFAOYSA-N	-1	0	474.926	3.694	50	0		JHAARM
CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012525993	523083844	/nfs/dbraw/zinc/08/38/44/523083844.db2.gz	PMJICXRFFXJYHU-QGZVFWFLSA-N	-1	0	456.495	3.539	50	0		JHAARM
CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012525994	523148043	/nfs/dbraw/zinc/14/80/43/523148043.db2.gz	PMJICXRFFXJYHU-KRWDZBQOSA-N	-1	0	456.495	3.539	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(NC(C)=O)cc3)c2)c2c(c1=O)CCCC2	ZINC000046027856	523609513	/nfs/dbraw/zinc/60/95/13/523609513.db2.gz	WMVYYOABSZZBOE-UHFFFAOYSA-N	-1	0	496.589	3.577	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C	ZINC000046027341	523843357	/nfs/dbraw/zinc/84/33/57/523843357.db2.gz	CMHZNMWYMOITPC-UHFFFAOYSA-N	-1	0	453.564	3.752	50	0		JHAARM
Cc1cccc(-c2nnc3ccc([N-]S(=O)(=O)c4ccc(Br)s4)nn32)c1	ZINC000033277250	524128589	/nfs/dbraw/zinc/12/85/89/524128589.db2.gz	PGSUOUAKLQYIJJ-UHFFFAOYSA-N	-1	0	450.343	3.725	50	0		JHAARM
Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1C	ZINC000012415083	524604236	/nfs/dbraw/zinc/60/42/36/524604236.db2.gz	NZAFSJVOWFLLJT-UHFFFAOYSA-N	-1	0	497.520	3.969	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(OC)c1	ZINC000016097206	524645783	/nfs/dbraw/zinc/64/57/83/524645783.db2.gz	GHHYRUXOBYSKFQ-UHFFFAOYSA-N	-1	0	454.504	3.960	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)CCc3ccccn3)ccc2Cl)cc1	ZINC000006144751	524687420	/nfs/dbraw/zinc/68/74/20/524687420.db2.gz	CFNQUGGVDTXQMC-UHFFFAOYSA-N	-1	0	459.955	3.859	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253062	524807043	/nfs/dbraw/zinc/80/70/43/524807043.db2.gz	IEPFBKSIQAAKRK-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
CSc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000022699460	526040772	/nfs/dbraw/zinc/04/07/72/526040772.db2.gz	LWVZYZYXVOKHOE-UHFFFAOYSA-N	-1	0	454.533	3.631	50	0		JHAARM
Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C(=O)[O-])c2)cc1	ZINC000033078635	526222091	/nfs/dbraw/zinc/22/20/91/526222091.db2.gz	JGGORVPQTRGMKC-UHFFFAOYSA-N	-1	0	473.529	3.996	50	0		JHAARM
O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(N2CCN(c4ccccc4F)CC2)c(Cl)c1=O)C3	ZINC000016450310	526317157	/nfs/dbraw/zinc/31/71/57/526317157.db2.gz	VMXGSZGGSSCHHS-SGIVJYKVSA-N	-1	0	486.975	3.598	50	0		JHAARM
O=C([O-])c1c([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccn3)CC2)c2ccccc2n1Cc1ccccc1	ZINC000036360656	526341758	/nfs/dbraw/zinc/34/17/58/526341758.db2.gz	SYKKIBDTCQSFKV-DEOSSOPVSA-N	-1	0	470.529	3.731	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033078641	526351174	/nfs/dbraw/zinc/35/11/74/526351174.db2.gz	VMIBWGIGCRKMAM-UHFFFAOYSA-N	-1	0	459.502	3.688	50	0		JHAARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1	ZINC000065004688	527318504	/nfs/dbraw/zinc/31/85/04/527318504.db2.gz	GBEJWRAIOPWQMD-UHFFFAOYSA-N	-1	0	453.567	3.509	50	0		JHAARM
Cc1c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000000754369	553777504	/nfs/dbraw/zinc/77/75/04/553777504.db2.gz	KTDPLYAVINTGMU-UHFFFAOYSA-N	-1	0	486.557	3.972	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2)ncn1	ZINC000000945518	553879368	/nfs/dbraw/zinc/87/93/68/553879368.db2.gz	HQLGNRCAFAVKGI-UHFFFAOYSA-N	-1	0	464.503	3.700	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3coc4ccccc4c3=O)cc2)n1	ZINC000000950315	553880939	/nfs/dbraw/zinc/88/09/39/553880939.db2.gz	SUJLPYKWGZHYKX-KPKJPENVSA-N	-1	0	476.514	3.653	50	0		JHAARM
COc1cccc(C(=O)N[C@@H](NC(=S)Nc2cccc(C(=O)[O-])c2)C(Cl)(Cl)Cl)c1	ZINC000001232965	553936693	/nfs/dbraw/zinc/93/66/93/553936693.db2.gz	ZFZKZNSNMAWKEW-INIZCTEOSA-N	-1	0	476.769	3.806	50	0		JHAARM
O=c1/c(=C/c2cc(Br)c([O-])c(Br)c2)sc2nc3ccccc3n12	ZINC000002076698	554024803	/nfs/dbraw/zinc/02/48/03/554024803.db2.gz	SSOADXHIJKEGBK-QPEQYQDCSA-N	-1	0	452.127	3.688	50	0		JHAARM
Cc1c(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3	ZINC000002125112	554058022	/nfs/dbraw/zinc/05/80/22/554058022.db2.gz	GLDJVJZHWUUVDR-FQEVSTJZSA-N	-1	0	469.921	3.825	50	0	biogenic	JHAARM
C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002132319	554060471	/nfs/dbraw/zinc/06/04/71/554060471.db2.gz	YOXYNZQFGQFACE-WAIKUNEKSA-N	-1	0	473.481	3.745	50	0	biogenic	JHAARM
CCc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(C)c2oc1=O	ZINC000002133255	554060871	/nfs/dbraw/zinc/06/08/71/554060871.db2.gz	FXNWWLOBYBKRAG-OYHNWAKOSA-N	-1	0	492.528	3.739	50	0	biogenic	JHAARM
CCc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(C)c2oc1=O	ZINC000002133256	554061178	/nfs/dbraw/zinc/06/11/78/554061178.db2.gz	FXNWWLOBYBKRAG-IVZQSRNASA-N	-1	0	492.528	3.739	50	0	biogenic	JHAARM
O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(Nc4ccc5c(c4)OCCO5)c(Cl)c1=O)(C3)C2	ZINC000002442162	554210431	/nfs/dbraw/zinc/21/04/31/554210431.db2.gz	RRCXMBPBWLMHDL-KCTCVGQSSA-N	-1	0	457.914	3.792	50	0		JHAARM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)N1CCN(c2ccccn2)CC1	ZINC000002633050	554254437	/nfs/dbraw/zinc/25/44/37/554254437.db2.gz	YYPSIMSSKVMGNF-UHFFFAOYSA-N	-1	0	462.984	3.560	50	0		JHAARM
COc1ccc(CNC(=O)CCCn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1	ZINC000002973746	554414405	/nfs/dbraw/zinc/41/44/05/554414405.db2.gz	AJDVCICDSOOQKK-UHFFFAOYSA-N	-1	0	462.369	3.553	50	0		JHAARM
Cc1cccc(N2CCN(C(=O)CCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)C[C@@H]2C)c1	ZINC000002975272	554415402	/nfs/dbraw/zinc/41/54/02/554415402.db2.gz	AJXKBJFVIGPAPU-KRWDZBQOSA-N	-1	0	480.590	3.614	50	0		JHAARM
O=C(NC1CCCCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O	ZINC000003051819	554424099	/nfs/dbraw/zinc/42/40/99/554424099.db2.gz	WSWBBACGSMAJJY-UHFFFAOYSA-N	-1	0	451.548	3.915	50	0		JHAARM
CCCCc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)cc1	ZINC000004959674	554483842	/nfs/dbraw/zinc/48/38/42/554483842.db2.gz	YBRZZNAQNYKSKN-UHFFFAOYSA-N	-1	0	457.581	3.739	50	0		JHAARM
COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000006144296	554509975	/nfs/dbraw/zinc/50/99/75/554509975.db2.gz	AKIJKNSMSPPMRB-LJQANCHMSA-N	-1	0	496.585	3.975	50	0		JHAARM
CSCC[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000008826646	554716562	/nfs/dbraw/zinc/71/65/62/554716562.db2.gz	QUXDOVGIIXOQKV-NAVNFMRLSA-N	-1	0	477.380	3.543	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c1	ZINC000008840626	554740051	/nfs/dbraw/zinc/74/00/51/554740051.db2.gz	MNKSPZHQSJJAQF-UHFFFAOYSA-N	-1	0	452.532	3.984	50	0		JHAARM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3Cl)s2)n1	ZINC000008868056	554761803	/nfs/dbraw/zinc/76/18/03/554761803.db2.gz	WHNCUIZGZBDTSB-UHFFFAOYSA-N	-1	0	490.419	3.973	50	0		JHAARM
CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CSc1nnnn1-c1ccccc1	ZINC000009109025	554897539	/nfs/dbraw/zinc/89/75/39/554897539.db2.gz	NXECCEKYVZLFBT-UHFFFAOYSA-N	-1	0	474.506	3.806	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1	ZINC000009126874	554921279	/nfs/dbraw/zinc/92/12/79/554921279.db2.gz	WGMSAMKAAYEQFN-UHFFFAOYSA-N	-1	0	472.032	3.772	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)c2ncccc12	ZINC000009184864	554956966	/nfs/dbraw/zinc/95/69/66/554956966.db2.gz	DBWVGJBFDKXFGA-UHFFFAOYSA-N	-1	0	489.619	3.997	50	0		JHAARM
Cc1ccc(CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c(C)c1	ZINC000009224149	554995277	/nfs/dbraw/zinc/99/52/77/554995277.db2.gz	WECRMZXDDRRECJ-UHFFFAOYSA-N	-1	0	478.574	3.636	50	0		JHAARM
CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009467799	555245746	/nfs/dbraw/zinc/24/57/46/555245746.db2.gz	OSCGKTVUBOYKEV-UHFFFAOYSA-N	-1	0	477.550	3.733	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccc(OC)c(OC)c2)cc1C	ZINC000009526073	555319938	/nfs/dbraw/zinc/31/99/38/555319938.db2.gz	QJEBCLHIVVTAAL-UHFFFAOYSA-N	-1	0	484.574	3.794	50	0		JHAARM
C[C@@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)C1	ZINC000013138416	555335528	/nfs/dbraw/zinc/33/55/28/555335528.db2.gz	DJRSZCYEBAEORN-GASCZTMLSA-N	-1	0	451.548	3.954	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4oc5ccccc5c4C)CC3)cc21	ZINC000009550296	555348803	/nfs/dbraw/zinc/34/88/03/555348803.db2.gz	MDDDJOBWOJFAHL-UHFFFAOYSA-N	-1	0	477.492	3.876	50	0		JHAARM
CCOc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1cccc(-c2ccc(S(C)(=O)=O)nn2)c1	ZINC000009572693	555369664	/nfs/dbraw/zinc/36/96/64/555369664.db2.gz	VWTLFHAIBPQGAX-UHFFFAOYSA-N	-1	0	475.592	3.870	50	0		JHAARM
CC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1	ZINC000009670138	555386351	/nfs/dbraw/zinc/38/63/51/555386351.db2.gz	HNDZBHPDYCPNSB-HNNXBMFYSA-N	-1	0	451.976	3.506	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1	ZINC000013399989	555395456	/nfs/dbraw/zinc/39/54/56/555395456.db2.gz	HYIBRJJUXCCGQA-KRWDZBQOSA-N	-1	0	456.911	3.776	50	0		JHAARM
COc1ccc(-c2nnc(SCC(=O)N3CCC(C(=O)[O-])CC3)n2C2CCCCC2)cc1OC	ZINC000013416821	555397292	/nfs/dbraw/zinc/39/72/92/555397292.db2.gz	MBTBSKAAKBVEJA-UHFFFAOYSA-N	-1	0	488.610	3.883	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)c1	ZINC000009708677	555433668	/nfs/dbraw/zinc/43/36/68/555433668.db2.gz	IEMNRSUSOCKPOH-UHFFFAOYSA-N	-1	0	494.616	3.708	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccccn3)ccc2OC)cc1Br	ZINC000009613469	555449192	/nfs/dbraw/zinc/44/91/92/555449192.db2.gz	LCUOPEPXBPSQIQ-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009613502	555449634	/nfs/dbraw/zinc/44/96/34/555449634.db2.gz	GEJUAEDATLKOBW-NRFANRHFSA-N	-1	0	485.537	3.841	50	0		JHAARM
COc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009631583	555460766	/nfs/dbraw/zinc/46/07/66/555460766.db2.gz	SFPAMFRSWTXZRJ-SFHVURJKSA-N	-1	0	497.548	3.622	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000013513043	555484100	/nfs/dbraw/zinc/48/41/00/555484100.db2.gz	XIPJFVLQFHAEMC-AKFKNWHVSA-N	-1	0	488.496	3.762	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ncoc3-c3cccs3)cc2)n1	ZINC000013565398	555501500	/nfs/dbraw/zinc/50/15/00/555501500.db2.gz	SLMQRYGFNSYMSG-UHFFFAOYSA-N	-1	0	455.521	3.863	50	0		JHAARM
O=C(CSc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)NCc1ccc2c(c1)OCO2	ZINC000013578773	555517148	/nfs/dbraw/zinc/51/71/48/555517148.db2.gz	LOWNHYZBPWRVQB-UHFFFAOYSA-N	-1	0	464.499	3.774	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1	ZINC000014212142	555734392	/nfs/dbraw/zinc/73/43/92/555734392.db2.gz	SFBOUTZUJVPYFN-GOSISDBHSA-N	-1	0	469.494	3.700	50	0		JHAARM
C/C=C(\C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2C(=O)OC)C1	ZINC000020256549	555743844	/nfs/dbraw/zinc/74/38/44/555743844.db2.gz	YQJUESVXOYFXAF-UUILKARUSA-N	-1	0	468.984	3.840	50	0		JHAARM
COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2[n-]c1=S	ZINC000010965633	555749491	/nfs/dbraw/zinc/74/94/91/555749491.db2.gz	RXDOGHFSSHNFFX-QGZVFWFLSA-N	-1	0	459.568	3.828	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)c1	ZINC000020355860	555784840	/nfs/dbraw/zinc/78/48/40/555784840.db2.gz	OOAWRAPAPCQDDN-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cc(C)ccc3C)c(=O)[n-]2)c1	ZINC000020355862	555784903	/nfs/dbraw/zinc/78/49/03/555784903.db2.gz	LPIVJAJBKUZQOK-UHFFFAOYSA-N	-1	0	457.577	3.513	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883382	555857202	/nfs/dbraw/zinc/85/72/02/555857202.db2.gz	LIZUGEFEXFCHNV-LJQANCHMSA-N	-1	0	480.590	3.913	50	0		JHAARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1	ZINC000015244907	555890696	/nfs/dbraw/zinc/89/06/96/555890696.db2.gz	LSYMWYGFFUIIDZ-UHFFFAOYSA-N	-1	0	470.503	3.544	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CCN(CC)CC3)c([O-])n2n1	ZINC000022854447	555960882	/nfs/dbraw/zinc/96/08/82/555960882.db2.gz	XVMMCMDIXNSDSF-INIZCTEOSA-N	-1	0	450.406	3.548	50	0		JHAARM
COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1	ZINC000023157917	556026236	/nfs/dbraw/zinc/02/62/36/556026236.db2.gz	FUPTTWWZXCHQSM-FQEVSTJZSA-N	-1	0	453.543	3.864	50	0		JHAARM
Cc1nc(COc2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cs1	ZINC000012548590	556027177	/nfs/dbraw/zinc/02/71/77/556027177.db2.gz	ZVAPPLITEGUTMZ-UHFFFAOYSA-N	-1	0	481.559	3.874	50	0		JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(OCc3cn4cccc(C)c4n3)cc2)c1	ZINC000023240152	556033371	/nfs/dbraw/zinc/03/33/71/556033371.db2.gz	BVWJRHKDDNJWFF-UHFFFAOYSA-N	-1	0	465.531	3.973	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012560849	556053327	/nfs/dbraw/zinc/05/33/27/556053327.db2.gz	RCYDNKZMUKJSCE-XJKCOSOUSA-N	-1	0	463.275	3.957	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCNC(=O)c3ccccc3)ccc2OC)cc1	ZINC000015897637	556062156	/nfs/dbraw/zinc/06/21/56/556062156.db2.gz	DBVGBMDNRNIWPT-UHFFFAOYSA-N	-1	0	497.573	3.653	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(-c3nc(C)no3)cc2)c1	ZINC000012584770	556082323	/nfs/dbraw/zinc/08/23/23/556082323.db2.gz	NNRHXTLLTJMIAM-UHFFFAOYSA-N	-1	0	480.502	3.812	50	0		JHAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])ccc12	ZINC000015956325	556088414	/nfs/dbraw/zinc/08/84/14/556088414.db2.gz	XOCVFOWTRNFSPR-HXUWFJFHSA-N	-1	0	469.559	3.936	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000012983677	556177072	/nfs/dbraw/zinc/17/70/72/556177072.db2.gz	OLUSABXYVQKESP-UHFFFAOYSA-N	-1	0	458.467	3.610	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c(OC)c1	ZINC000016944818	556182592	/nfs/dbraw/zinc/18/25/92/556182592.db2.gz	VMGXNFDDUDFHBP-UHFFFAOYSA-N	-1	0	488.587	3.646	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cc1	ZINC000016956136	556187212	/nfs/dbraw/zinc/18/72/12/556187212.db2.gz	ZUKOPSARHVFMMB-UHFFFAOYSA-N	-1	0	464.503	3.954	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccccc1	ZINC000013014997	556206103	/nfs/dbraw/zinc/20/61/03/556206103.db2.gz	NJZDXRHDHJMTHQ-UHFFFAOYSA-N	-1	0	463.538	3.896	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c(OC)c1	ZINC000017053555	556214148	/nfs/dbraw/zinc/21/41/48/556214148.db2.gz	JHZKPACAXAXOPA-UHFFFAOYSA-N	-1	0	499.531	3.902	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCc3ccc(C)o3)cc1)c2=O	ZINC000017121661	556219534	/nfs/dbraw/zinc/21/95/34/556219534.db2.gz	PBMHACHYPKEEQD-UHFFFAOYSA-N	-1	0	463.515	3.725	50	0		JHAARM
Cc1cc(NC(=O)Cc2ccccc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135715	556222652	/nfs/dbraw/zinc/22/26/52/556222652.db2.gz	QZDGRRFYRQFDJK-UHFFFAOYSA-N	-1	0	453.506	3.813	50	0		JHAARM
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)cc12	ZINC000013029209	556223662	/nfs/dbraw/zinc/22/36/62/556223662.db2.gz	UWWJBRCQTBCIMC-XMMPIXPASA-N	-1	0	477.521	3.706	50	0		JHAARM
CCCn1c2ccc(S(=O)(=O)N(CC)CC)cc2nc1-c1ccc(OCC(=O)[O-])c(OC)c1	ZINC000013061206	556256581	/nfs/dbraw/zinc/25/65/81/556256581.db2.gz	HQXXSQWGGJDJBR-UHFFFAOYSA-N	-1	0	475.567	3.616	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1	ZINC000018162409	556296889	/nfs/dbraw/zinc/29/68/89/556296889.db2.gz	JSOILPXPWOPUOV-JKSUJKDBSA-N	-1	0	497.136	3.688	50	0		JHAARM
COCCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1cccc(Br)c1	ZINC000013098996	556298959	/nfs/dbraw/zinc/29/89/59/556298959.db2.gz	XVJWMOIZMMLQFH-LJQANCHMSA-N	-1	0	489.322	3.882	50	0		JHAARM
COC(=O)c1sc2ncnc(Nc3ccc(S(=O)(=O)[N-]c4ccccn4)cc3)c2c1C	ZINC000019620681	556357997	/nfs/dbraw/zinc/35/79/97/556357997.db2.gz	AEQFSFHCCPRGQY-UHFFFAOYSA-N	-1	0	455.521	3.726	50	0		JHAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c(Br)s1	ZINC000032589215	556447253	/nfs/dbraw/zinc/44/72/53/556447253.db2.gz	VSUQMRAHOWQLKP-UHFFFAOYSA-N	-1	0	460.249	3.997	50	0		JHAARM
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCC(C(N)=O)CC1	ZINC000032831079	556506351	/nfs/dbraw/zinc/50/63/51/556506351.db2.gz	VVKOTKPUSHYEET-UHFFFAOYSA-N	-1	0	471.623	3.739	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)[O-])c1	ZINC000032961708	556578721	/nfs/dbraw/zinc/57/87/21/556578721.db2.gz	ABIQDDVIUAVVNI-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)cc1C	ZINC000032961886	556579362	/nfs/dbraw/zinc/57/93/62/556579362.db2.gz	MGOFQQHUOLEGLZ-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1	ZINC000008687550	562953453	/nfs/dbraw/zinc/95/34/53/562953453.db2.gz	VXGWDNRUVQACDM-IAERKFLBSA-N	-1	0	483.318	3.625	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br	ZINC000008687575	562953502	/nfs/dbraw/zinc/95/35/02/562953502.db2.gz	ZUEXLARNEGCILM-IAERKFLBSA-N	-1	0	483.318	3.625	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CCC3CCCCC3)cc2)no1	ZINC000008723364	569599226	/nfs/dbraw/zinc/59/92/26/569599226.db2.gz	GNCFXGPQJIZCSN-UHFFFAOYSA-N	-1	0	450.586	3.957	50	0		JHAARM
Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc12	ZINC000008727177	569601084	/nfs/dbraw/zinc/60/10/84/569601084.db2.gz	KGABDPWPLJEIRB-UHFFFAOYSA-N	-1	0	457.943	3.948	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000032961949	569602541	/nfs/dbraw/zinc/60/25/41/569602541.db2.gz	WQAWBRSSFTUGDJ-UHFFFAOYSA-N	-1	0	461.540	3.713	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)c(C)cc2C)C1	ZINC000032971099	569603681	/nfs/dbraw/zinc/60/36/81/569603681.db2.gz	RJPXQRLPLHAPOP-LJQANCHMSA-N	-1	0	474.579	3.890	50	0		JHAARM
CCc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1	ZINC000032975703	569606252	/nfs/dbraw/zinc/60/62/52/569606252.db2.gz	DTUXOHZXXSSYDR-WOJBJXKFSA-N	-1	0	456.564	3.734	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1C	ZINC000032975779	569606429	/nfs/dbraw/zinc/60/64/29/569606429.db2.gz	FJVAYQHKHLBJFP-QZTJIDSGSA-N	-1	0	460.527	3.619	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CC=C(c4ccccc4)CC3)[nH]n2)cc1	ZINC000032985023	569608349	/nfs/dbraw/zinc/60/83/49/569608349.db2.gz	PFAZUUMLEQYTGI-UHFFFAOYSA-N	-1	0	452.536	3.539	50	0		JHAARM
CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)[O-])cc1	ZINC000033007440	569615350	/nfs/dbraw/zinc/61/53/50/569615350.db2.gz	NAFPITQCSRLQQL-UHFFFAOYSA-N	-1	0	495.605	3.645	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C(=O)[O-])c2)C1	ZINC000033007185	569615450	/nfs/dbraw/zinc/61/54/50/569615450.db2.gz	XBLWZPZALDTYNC-AWEZNQCLSA-N	-1	0	466.943	3.619	50	0		JHAARM
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1	ZINC000064557788	569618366	/nfs/dbraw/zinc/61/83/66/569618366.db2.gz	GMQHNMKQVGRABU-FQEVSTJZSA-N	-1	0	467.474	3.944	50	0		JHAARM
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1	ZINC000064774577	569626733	/nfs/dbraw/zinc/62/67/33/569626733.db2.gz	RLNQIJQYIILAEH-UHFFFAOYSA-N	-1	0	453.524	3.578	50	0		JHAARM
CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OCC(N)=O	ZINC000064796443	569630166	/nfs/dbraw/zinc/63/01/66/569630166.db2.gz	NZSULYDJKHVJLR-HNNXBMFYSA-N	-1	0	484.505	3.989	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ncc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])C1	ZINC000064843241	569637769	/nfs/dbraw/zinc/63/77/69/569637769.db2.gz	KLDLWTHSBKDOJD-SFHVURJKSA-N	-1	0	489.594	3.559	50	0		JHAARM
CCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000064843198	569637771	/nfs/dbraw/zinc/63/77/71/569637771.db2.gz	SBHRDOKMVDIOGP-UHFFFAOYSA-N	-1	0	453.520	3.810	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(F)c3)c1)NC(=O)CCC2=O	ZINC000065011173	569648280	/nfs/dbraw/zinc/64/82/80/569648280.db2.gz	HHIWJHYZQGQQJL-UHFFFAOYSA-N	-1	0	486.525	3.824	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)no1)N1CCCC1	ZINC000065097451	569661115	/nfs/dbraw/zinc/66/11/15/569661115.db2.gz	WUEZRWMBTRLWPG-UHFFFAOYSA-N	-1	0	456.908	3.627	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)c1	ZINC000065098871	569661988	/nfs/dbraw/zinc/66/19/88/569661988.db2.gz	LCYCTSUIICLVBU-UHFFFAOYSA-N	-1	0	492.579	3.632	50	0		JHAARM
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2)[n-]c1=O	ZINC000035377932	569685495	/nfs/dbraw/zinc/68/54/95/569685495.db2.gz	DWWWXBWFIJZBGJ-UHFFFAOYSA-N	-1	0	474.340	3.696	50	0		JHAARM
CCc1ccc(S(=O)(=O)Nc2cnc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1	ZINC000035397776	569688211	/nfs/dbraw/zinc/68/82/11/569688211.db2.gz	MZYPSHIBYKQVFP-UHFFFAOYSA-N	-1	0	485.610	3.562	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](C)Nc1ccccc1OC	ZINC000072191494	569699832	/nfs/dbraw/zinc/69/98/32/569699832.db2.gz	QSIMKTVYFUKYIN-CQSZACIVSA-N	-1	0	455.540	3.909	50	0		JHAARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O	ZINC000035829523	569713007	/nfs/dbraw/zinc/71/30/07/569713007.db2.gz	ITKSEJCKMCUNCP-NVMNQCDNSA-N	-1	0	474.851	3.749	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000085652126	569714088	/nfs/dbraw/zinc/71/40/88/569714088.db2.gz	AKTRZYOWEYDQLE-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NC(C)(C)C	ZINC000095841225	569728839	/nfs/dbraw/zinc/72/88/39/569728839.db2.gz	BYXMMGBYOXFOBI-UHFFFAOYSA-N	-1	0	480.587	3.671	50	0		JHAARM
CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000096601932	569742349	/nfs/dbraw/zinc/74/23/49/569742349.db2.gz	IVFRUKAIKIDYLR-XFXGWILTSA-N	-1	0	465.594	3.637	50	0		JHAARM
CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000098209754	569750717	/nfs/dbraw/zinc/75/07/17/569750717.db2.gz	GBDRLSCSVPGBDC-RUZDIDTESA-N	-1	0	452.507	3.989	50	0		JHAARM
COc1ccc(OC)c(NC(=O)C(=O)C(=C([O-])c2ccccc2F)[C@H]2OC(=O)c3ccccc32)c1	ZINC000100742155	569768443	/nfs/dbraw/zinc/76/84/43/569768443.db2.gz	SCYNTKUOZGLNSD-QPPBQGQZSA-N	-1	0	477.444	3.761	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(CCc3ccccn3)CC1)cn2Cc1ccccc1	ZINC000036360523	569772673	/nfs/dbraw/zinc/77/26/73/569772673.db2.gz	PPTCELWZMJIQID-MHZLTWQESA-N	-1	0	498.583	3.769	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)c1	ZINC000101110849	569783215	/nfs/dbraw/zinc/78/32/15/569783215.db2.gz	KRFOLIYRPCZLPE-RTBURBONSA-N	-1	0	451.870	3.805	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000101165666	569785558	/nfs/dbraw/zinc/78/55/58/569785558.db2.gz	TXKVGILEUXTYKI-JKSUJKDBSA-N	-1	0	497.136	3.688	50	0		JHAARM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000101177897	569786246	/nfs/dbraw/zinc/78/62/46/569786246.db2.gz	YTMIKUOTNPXFGS-AKFKNWHVSA-N	-1	0	460.486	3.764	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101261161	569788233	/nfs/dbraw/zinc/78/82/33/569788233.db2.gz	VVCCAAPVNQHGBU-ROUUACIJSA-N	-1	0	470.411	3.811	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101261163	569788238	/nfs/dbraw/zinc/78/82/38/569788238.db2.gz	VVCCAAPVNQHGBU-MSOLQXFVSA-N	-1	0	470.411	3.811	50	0		JHAARM
COc1ccccc1CNC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O	ZINC000101382572	569795453	/nfs/dbraw/zinc/79/54/53/569795453.db2.gz	MCTBKZNONZCMHD-FCQUAONHSA-N	-1	0	456.502	3.700	50	0		JHAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1cccc2ccccc21	ZINC000101456613	569798392	/nfs/dbraw/zinc/79/83/92/569798392.db2.gz	QFXPPKCXJZYWJV-NRFANRHFSA-N	-1	0	474.904	3.736	50	0		JHAARM
CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S	ZINC000101495391	569800318	/nfs/dbraw/zinc/80/03/18/569800318.db2.gz	OAJOBROBLQCYLE-HNNXBMFYSA-N	-1	0	460.556	3.516	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NC[C@H]5CCCO5)cc4)c3=O)c2c1	ZINC000101497360	569800633	/nfs/dbraw/zinc/80/06/33/569800633.db2.gz	LWXKWJMDESTZRM-QGZVFWFLSA-N	-1	0	464.547	3.506	50	0		JHAARM
CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(CN2CCN(c4ccc(F)cc4)CC2)cc3=O)cc1	ZINC000101747737	569803582	/nfs/dbraw/zinc/80/35/82/569803582.db2.gz	QFSKLRROSBNLOE-UHFFFAOYSA-N	-1	0	460.557	3.843	50	0		JHAARM
Cc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O	ZINC000102000152	569808798	/nfs/dbraw/zinc/80/87/98/569808798.db2.gz	LLRQKHLSKMWKDV-SKBVVQJISA-N	-1	0	492.539	3.666	50	0		JHAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OC	ZINC000102289808	569811995	/nfs/dbraw/zinc/81/19/95/569811995.db2.gz	ZQWJAFLKDQTMJJ-OALUTQOASA-N	-1	0	456.564	3.734	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000102290283	569812143	/nfs/dbraw/zinc/81/21/43/569812143.db2.gz	GJEKTXPLUUZYTO-HOTGVXAUSA-N	-1	0	480.945	3.964	50	0		JHAARM
COc1cccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)c(C)o2)c1OC	ZINC000102479150	569813533	/nfs/dbraw/zinc/81/35/33/569813533.db2.gz	MJMQDPCFWIEHRG-RTBURBONSA-N	-1	0	481.896	3.814	50	0		JHAARM
CCc1nn2c([n-]1)nc(CSc1nc3ccc(NC(=O)c4ccco4)cc3s1)cc2=O	ZINC000102621434	569814692	/nfs/dbraw/zinc/81/46/92/569814692.db2.gz	SCNYBBKUIBFPCB-UHFFFAOYSA-N	-1	0	452.521	3.727	50	0		JHAARM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102729591	569817850	/nfs/dbraw/zinc/81/78/50/569817850.db2.gz	VBUCAXWMOKTTLE-MQSCRBSSSA-N	-1	0	492.459	3.592	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1	ZINC000040450625	569828735	/nfs/dbraw/zinc/82/87/35/569828735.db2.gz	WUNPEHCPJXNJNQ-GFCCVEGCSA-N	-1	0	453.358	3.946	50	0		JHAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1	ZINC000040450651	569828776	/nfs/dbraw/zinc/82/87/76/569828776.db2.gz	MZGFWSJVNBYVTB-LBPRGKRZSA-N	-1	0	481.368	3.724	50	0		JHAARM
CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1	ZINC000046016298	569842268	/nfs/dbraw/zinc/84/22/68/569842268.db2.gz	GUMFUYMGCDFIFW-UHFFFAOYSA-N	-1	0	497.520	3.915	50	0		JHAARM
CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)cc1OCCC	ZINC000225534051	570003395	/nfs/dbraw/zinc/00/33/95/570003395.db2.gz	HCCJDVSZJVRJLN-UHFFFAOYSA-N	-1	0	471.553	3.700	50	0		JHAARM
COc1ccc(-c2cc3ccc(OCC(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)cc3oc2=O)cc1	ZINC000245264647	570061042	/nfs/dbraw/zinc/06/10/42/570061042.db2.gz	DQRFYZHSCPBJSJ-SAABIXHNSA-N	-1	0	465.502	3.855	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000252677589	570094005	/nfs/dbraw/zinc/09/40/05/570094005.db2.gz	ZFSSEWGJMYXACM-KRWDZBQOSA-N	-1	0	495.409	3.872	50	0		JHAARM
O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCCc1ccc(O)cc1	ZINC000253470544	570099014	/nfs/dbraw/zinc/09/90/14/570099014.db2.gz	FKDQCCJWXLJPAH-HXUWFJFHSA-N	-1	0	473.481	3.814	50	0		JHAARM
COc1cc([C@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)c(OC)c2c1OCO2	ZINC000253470796	570099146	/nfs/dbraw/zinc/09/91/46/570099146.db2.gz	FFJRZSAVPCNDHJ-HNNXBMFYSA-N	-1	0	471.437	3.700	50	0		JHAARM
COc1cc([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253471324	570099296	/nfs/dbraw/zinc/09/92/96/570099296.db2.gz	PPBIIDWHESATCD-IBGZPJMESA-N	-1	0	490.512	3.753	50	0		JHAARM
COc1cc([C@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471727	570099546	/nfs/dbraw/zinc/09/95/46/570099546.db2.gz	YEUKOLGWZMHNRO-INIZCTEOSA-N	-1	0	483.473	3.569	50	0		JHAARM
CC(=O)Oc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OC(C)=O)cc3)cc(C(=O)[O-])c2)cc1	ZINC000001197751	194067758	/nfs/dbraw/zinc/06/77/58/194067758.db2.gz	JXHRNIODRUOZSC-UHFFFAOYSA-N	-1	0	476.441	3.740	50	0		JHAARM
COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2C(=O)[O-])C(Cl)(Cl)Cl)cc1	ZINC000001232180	194077035	/nfs/dbraw/zinc/07/70/35/194077035.db2.gz	BBFGPWOBTZXGPO-MRXNPFEDSA-N	-1	0	476.769	3.806	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)s1	ZINC000001507559	194126206	/nfs/dbraw/zinc/12/62/06/194126206.db2.gz	BESRCHKYFNUMIZ-UHFFFAOYSA-N	-1	0	452.945	3.816	50	0		JHAARM
CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-]	ZINC000001749962	194134234	/nfs/dbraw/zinc/13/42/34/194134234.db2.gz	HJACLWZCFFWBIQ-BZQUYTCOSA-N	-1	0	495.528	3.924	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1cc(=O)c2ccccc2o1	ZINC000003257147	194253878	/nfs/dbraw/zinc/25/38/78/194253878.db2.gz	QDRNGQRWHKTMNV-UHFFFAOYSA-N	-1	0	472.482	3.789	50	0		JHAARM
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000003634583	194345230	/nfs/dbraw/zinc/34/52/30/194345230.db2.gz	QUPOGSINIJVSJZ-VVIXHQMUSA-N	-1	0	483.524	3.760	50	0		JHAARM
C[C@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc3c(C(=O)[O-])c2C1	ZINC000006577072	194431625	/nfs/dbraw/zinc/43/16/25/194431625.db2.gz	BXPJORLCGVBPBF-INIZCTEOSA-N	-1	0	499.633	3.517	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1	ZINC000009285129	194661264	/nfs/dbraw/zinc/66/12/64/194661264.db2.gz	VICHXJAZRNCSSY-SIBVEZHUSA-N	-1	0	484.618	3.805	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl	ZINC000009674715	194881320	/nfs/dbraw/zinc/88/13/20/194881320.db2.gz	SBLHIJMBXRHEFN-CVEARBPZSA-N	-1	0	497.136	3.688	50	0		JHAARM
Cc1ccc(-c2nnc(SCC(=O)N(CC(F)(F)F)[C@@H](C)C3CC3)n2CC(=O)[O-])cc1	ZINC000012778976	195123009	/nfs/dbraw/zinc/12/30/09/195123009.db2.gz	MZBUIFLBFMXTEB-ZDUSSCGKSA-N	-1	0	456.490	3.620	50	0		JHAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3c(C)cccc3C)[n-]c2=O)cc1Cl	ZINC000020860993	195233483	/nfs/dbraw/zinc/23/34/83/195233483.db2.gz	LERNPSRVMIXPCJ-UHFFFAOYSA-N	-1	0	493.994	3.612	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1C	ZINC000021089257	195274081	/nfs/dbraw/zinc/27/40/81/195274081.db2.gz	ZMFWJEPTKQZWIT-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccccc1N1CCOC1=O	ZINC000058172394	195371288	/nfs/dbraw/zinc/37/12/88/195371288.db2.gz	RUSIOOHNAQIYCW-UHFFFAOYSA-N	-1	0	461.721	3.869	50	0		JHAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000095541312	129904077	/nfs/dbraw/zinc/90/40/77/129904077.db2.gz	XELLFGIQOYZKFI-UHFFFAOYSA-N	-1	0	454.430	3.978	50	0		JHAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)CC(C)(C)C)cc1S(=O)(=O)NC(C)C	ZINC000096317791	130062320	/nfs/dbraw/zinc/06/23/20/130062320.db2.gz	OWRPZEOAOAUJEF-UHFFFAOYSA-N	-1	0	480.587	3.763	50	0		JHAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(OC)cc3)[C@@H]2C(=O)[O-])cc1	ZINC000096318977	130064158	/nfs/dbraw/zinc/06/41/58/130064158.db2.gz	QBIOBPVFAVEUJK-GVDBMIGSSA-N	-1	0	457.529	3.911	50	0		JHAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)cc1	ZINC000065010867	519726925	/nfs/dbraw/zinc/72/69/25/519726925.db2.gz	XWHLVCPAPADRJT-UHFFFAOYSA-N	-1	0	485.562	3.590	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])CC1	ZINC000033253527	520585553	/nfs/dbraw/zinc/58/55/53/520585553.db2.gz	FDYSHNCCPGVTMT-UHFFFAOYSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OCC(N)=O	ZINC000035477250	520777173	/nfs/dbraw/zinc/77/71/73/520777173.db2.gz	ACIBZKZWYJOWSK-HNNXBMFYSA-N	-1	0	484.505	3.989	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)C1	ZINC000012324121	521108728	/nfs/dbraw/zinc/10/87/28/521108728.db2.gz	IDGPJBALRHZVPP-MRXNPFEDSA-N	-1	0	473.576	3.512	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])C1	ZINC000033253424	521120722	/nfs/dbraw/zinc/12/07/22/521120722.db2.gz	AFYFFIMQUZSYAI-QGZVFWFLSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)c2)cc1	ZINC000021748584	521121586	/nfs/dbraw/zinc/12/15/86/521121586.db2.gz	IFOHDGBOWUJLLE-UHFFFAOYSA-N	-1	0	457.508	3.551	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(OC)c2)[n-]c1=O	ZINC000021882753	521202435	/nfs/dbraw/zinc/20/24/35/521202435.db2.gz	STLONKWXENDUIK-UHFFFAOYSA-N	-1	0	453.524	3.641	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2cccc(C(C)=O)c2)[n-]c1=O	ZINC000045900354	521227709	/nfs/dbraw/zinc/22/77/09/521227709.db2.gz	HQEBTXWUSCNDOR-IBGZPJMESA-N	-1	0	479.562	3.892	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000045900342	521228252	/nfs/dbraw/zinc/22/82/52/521228252.db2.gz	FAEQJJXEUCCZAD-AWEZNQCLSA-N	-1	0	465.535	3.502	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C	ZINC000033123128	521554065	/nfs/dbraw/zinc/55/40/65/521554065.db2.gz	BVRRUOWDOSJARS-UHFFFAOYSA-N	-1	0	468.535	3.739	50	0		JHAARM
COC(=O)c1cccc(NC(=O)/C=C/c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1	ZINC000006152137	522219922	/nfs/dbraw/zinc/21/99/22/522219922.db2.gz	UOXDHJREBRLCEY-NTCAYCPXSA-N	-1	0	466.515	3.935	50	0		JHAARM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(OCc2nnc(-c3ccccc3)o2)c1	ZINC000033307430	522290920	/nfs/dbraw/zinc/29/09/20/522290920.db2.gz	ZACDUZJVIDYGNF-UHFFFAOYSA-N	-1	0	465.487	3.903	50	0		JHAARM
CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000016100974	523347646	/nfs/dbraw/zinc/34/76/46/523347646.db2.gz	KVEFPTYBYFCAQG-UHFFFAOYSA-N	-1	0	450.969	3.962	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NC(=O)Cc3cccs3)c(C(=O)[O-])c2)CC1	ZINC000045967728	524563711	/nfs/dbraw/zinc/56/37/11/524563711.db2.gz	QOAWTBSVCCONQT-UHFFFAOYSA-N	-1	0	451.548	3.963	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)cc1F	ZINC000033307786	524687654	/nfs/dbraw/zinc/68/76/54/524687654.db2.gz	UEZJOZUUPGMDOT-UHFFFAOYSA-N	-1	0	492.598	3.881	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2SCc2ccco2)n(C)c(=O)n3C)cc1OC	ZINC000045941029	525079665	/nfs/dbraw/zinc/07/96/65/525079665.db2.gz	KUNRNUBQWBLMLV-UHFFFAOYSA-N	-1	0	489.575	3.580	50	0		JHAARM
COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1OC	ZINC000022609403	525213429	/nfs/dbraw/zinc/21/34/29/525213429.db2.gz	GFIZPEIFBXVGTP-FQEVSTJZSA-N	-1	0	469.542	3.564	50	0		JHAARM
CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccccc2)n1	ZINC000016751073	525284687	/nfs/dbraw/zinc/28/46/87/525284687.db2.gz	DTHQOEUCPFRGFY-UHFFFAOYSA-N	-1	0	455.879	3.763	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)[O-])c1	ZINC000033253132	525333038	/nfs/dbraw/zinc/33/30/38/525333038.db2.gz	NRQCELABHOEIOQ-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1	ZINC000033279661	525472497	/nfs/dbraw/zinc/47/24/97/525472497.db2.gz	RBAFQQCYVKLKRM-UHFFFAOYSA-N	-1	0	454.430	3.978	50	0		JHAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000033279667	525473253	/nfs/dbraw/zinc/47/32/53/525473253.db2.gz	WZDJYFXIDXRANW-UHFFFAOYSA-N	-1	0	452.458	3.776	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)c1	ZINC000033170619	526209954	/nfs/dbraw/zinc/20/99/54/526209954.db2.gz	IMKRDXGJPDGMCQ-LUAWRHEFSA-N	-1	0	457.508	3.930	50	0		JHAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3cc12	ZINC000002128790	526291901	/nfs/dbraw/zinc/29/19/01/526291901.db2.gz	VFNBXEONZOBXJI-OAQYLSRUSA-N	-1	0	474.469	3.698	50	0	biogenic	JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCC[C@H](C[NH+]2CCCC2)C1	ZINC000033253758	526352578	/nfs/dbraw/zinc/35/25/78/526352578.db2.gz	MSWAGZFSJLYKLR-MRXNPFEDSA-N	-1	0	479.549	3.776	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccccc2)CC1	ZINC000033253097	526353652	/nfs/dbraw/zinc/35/36/52/526353652.db2.gz	CIGYXONHOYDWLJ-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000018162350	526823380	/nfs/dbraw/zinc/82/33/80/526823380.db2.gz	YAWWLNOZRJCGST-HZPDHXFCSA-N	-1	0	497.136	3.688	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC000033253694	527620800	/nfs/dbraw/zinc/62/08/00/527620800.db2.gz	UARONOJBMNIUDY-UHFFFAOYSA-N	-1	0	470.595	3.913	50	0		JHAARM
COc1cc(Br)c(S(=O)(=O)[N-]c2cccc(C3OCCCO3)c2)cc1OC	ZINC000000645831	553727008	/nfs/dbraw/zinc/72/70/08/553727008.db2.gz	GRKNCYGAFYIXQT-UHFFFAOYSA-N	-1	0	458.330	3.703	50	0		JHAARM
O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000942848	553877881	/nfs/dbraw/zinc/87/78/81/553877881.db2.gz	ZCMRQBPYDPITFO-UHFFFAOYSA-N	-1	0	453.307	3.602	50	0		JHAARM
Cc1c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000002102999	554043587	/nfs/dbraw/zinc/04/35/87/554043587.db2.gz	IEHLEPKJVREKNN-JTSKRJEESA-N	-1	0	451.519	3.993	50	0	biogenic	JHAARM
COc1cc2oc(=O)c(CC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c2cc1Cl	ZINC000002118130	554054176	/nfs/dbraw/zinc/05/41/76/554054176.db2.gz	IIIXZBYLPTUVOB-QGZVFWFLSA-N	-1	0	464.301	3.771	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c12	ZINC000002124640	554057698	/nfs/dbraw/zinc/05/76/98/554057698.db2.gz	LWLBUSOQAXVEBV-IBGZPJMESA-N	-1	0	469.559	3.936	50	0	biogenic	JHAARM
COc1ccc(-c2cc3ccc(OCC(=O)NCC4CCC(C(=O)[O-])CC4)cc3oc2=O)cc1	ZINC000002128128	554058883	/nfs/dbraw/zinc/05/88/83/554058883.db2.gz	DQRFYZHSCPBJSJ-UHFFFAOYSA-N	-1	0	465.502	3.855	50	0	biogenic	JHAARM
CCc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(C)c2oc1=O	ZINC000002133252	554060940	/nfs/dbraw/zinc/06/09/40/554060940.db2.gz	FXNWWLOBYBKRAG-NYHFZMIOSA-N	-1	0	492.528	3.739	50	0	biogenic	JHAARM
C[C@@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002133996	554061058	/nfs/dbraw/zinc/06/10/58/554061058.db2.gz	DXICFGQSCWLYEU-CMJOXMDJSA-N	-1	0	474.513	3.733	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c12	ZINC000002159547	554073771	/nfs/dbraw/zinc/07/37/71/554073771.db2.gz	WBWXUEXWMMOOLD-SFHVURJKSA-N	-1	0	457.910	3.898	50	0	biogenic	JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)cc2)n1	ZINC000002218703	554099484	/nfs/dbraw/zinc/09/94/84/554099484.db2.gz	AFQIMJSOHYYPNA-UHFFFAOYSA-N	-1	0	484.921	3.906	50	0		JHAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O	ZINC000002295003	554137095	/nfs/dbraw/zinc/13/70/95/554137095.db2.gz	IRXAHOKKACJEFO-OAQYLSRUSA-N	-1	0	488.521	3.896	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2)n1	ZINC000002316574	554146086	/nfs/dbraw/zinc/14/60/86/554146086.db2.gz	AGTKDPIPGMXGOP-UHFFFAOYSA-N	-1	0	490.010	3.603	50	0		JHAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Br)cc1	ZINC000002397629	554183648	/nfs/dbraw/zinc/18/36/48/554183648.db2.gz	IWUODSYNAWBMJF-UHFFFAOYSA-N	-1	0	497.421	3.833	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1	ZINC000002631565	554253513	/nfs/dbraw/zinc/25/35/13/554253513.db2.gz	MDAKANXFYSNUMZ-UHFFFAOYSA-N	-1	0	488.949	3.623	50	0		JHAARM
CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000002633054	554254381	/nfs/dbraw/zinc/25/43/81/554254381.db2.gz	YEEGJJZQJAJEDE-UHFFFAOYSA-N	-1	0	472.592	3.610	50	0		JHAARM
O=C(NCCC1=CCCCC1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970736	554414014	/nfs/dbraw/zinc/41/40/14/554414014.db2.gz	ADNSFQQAGYARAK-UHFFFAOYSA-N	-1	0	454.596	3.692	50	0		JHAARM
O=C(NCCc1ccccc1)c1ccc(Cn2c(=S)[n-]c3cc4c(cc3c2=O)OCO4)cc1	ZINC000002975426	554415859	/nfs/dbraw/zinc/41/58/59/554415859.db2.gz	NPDOXYHFOLUODI-UHFFFAOYSA-N	-1	0	459.527	3.809	50	0		JHAARM
C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)C1	ZINC000003051824	554423963	/nfs/dbraw/zinc/42/39/63/554423963.db2.gz	DJRSZCYEBAEORN-HUUCEWRRSA-N	-1	0	451.548	3.580	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2)c3=O)cc1OC	ZINC000003631054	554467783	/nfs/dbraw/zinc/46/77/83/554467783.db2.gz	NDXRGFJFGSIGJY-UHFFFAOYSA-N	-1	0	475.570	3.723	50	0	biogenic	JHAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc2C1	ZINC000006144231	554510017	/nfs/dbraw/zinc/51/00/17/554510017.db2.gz	SOGLZKITURCYTA-QGZVFWFLSA-N	-1	0	482.533	3.757	50	0		JHAARM
CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000006161669	554513678	/nfs/dbraw/zinc/51/36/78/554513678.db2.gz	VWGHWAPEOKXAEH-UHFFFAOYSA-N	-1	0	454.504	3.618	50	0		JHAARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)N1CCN(c2ccccc2F)CC1	ZINC000006189922	554516574	/nfs/dbraw/zinc/51/65/74/554516574.db2.gz	LUEVSJKCDXXTNG-UHFFFAOYSA-N	-1	0	475.492	3.867	50	0		JHAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000008742968	554645645	/nfs/dbraw/zinc/64/56/45/554645645.db2.gz	GTBYYVAKXYVRHX-ILWGZMRPSA-N	-1	0	480.565	3.666	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](CC(=O)[O-])c3ccc(OC)c(OC)c3)c(=O)oc2c1C	ZINC000008764918	554665358	/nfs/dbraw/zinc/66/53/58/554665358.db2.gz	HHDSTWSATQPTED-IBGZPJMESA-N	-1	0	483.517	3.700	50	0	biogenic	JHAARM
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1	ZINC000008878301	554773763	/nfs/dbraw/zinc/77/37/63/554773763.db2.gz	IUFXPBVRSZEFGW-NZQKXSOJSA-N	-1	0	456.539	3.869	50	0	biogenic	JHAARM
CCSc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3cccc(C)c3)ncc2Cl)s1	ZINC000008917476	554812582	/nfs/dbraw/zinc/81/25/82/554812582.db2.gz	RSNNTPXSXLHDLH-UHFFFAOYSA-N	-1	0	470.001	3.628	50	0		JHAARM
CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(Br)cc1	ZINC000008920084	554816927	/nfs/dbraw/zinc/81/69/27/554816927.db2.gz	BASDMYFYVQGREX-RHSMWYFYSA-N	-1	0	452.326	3.855	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(O)[C@@H]2N(Cc3ccc(F)cc3)C(=S)SC2(C)C)cc1	ZINC000008934571	554829145	/nfs/dbraw/zinc/82/91/45/554829145.db2.gz	CYHYXSAHINLZRA-KRWDZBQOSA-N	-1	0	483.612	3.862	50	0		JHAARM
CCOC(=O)[C@@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)c1cccnc1)C(F)(F)F	ZINC000008974076	554845540	/nfs/dbraw/zinc/84/55/40/554845540.db2.gz	ZIMJCDGRRIUHNK-IBGZPJMESA-N	-1	0	468.457	3.754	50	0		JHAARM
O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)Nc1ccc(C(F)(F)F)cc1	ZINC000009106628	554897222	/nfs/dbraw/zinc/89/72/22/554897222.db2.gz	NOVYNKMRDGIXEJ-UHFFFAOYSA-N	-1	0	463.416	3.973	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Cl	ZINC000009127368	554922400	/nfs/dbraw/zinc/92/24/00/554922400.db2.gz	QVZJMAYIYLXSGL-UHFFFAOYSA-N	-1	0	494.978	3.805	50	0		JHAARM
Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000009130197	554929262	/nfs/dbraw/zinc/92/92/62/554929262.db2.gz	YYVPPNLNHZALKZ-UHFFFAOYSA-N	-1	0	481.526	3.915	50	0		JHAARM
O=C([O-])c1ccc(COc2ccccc2/C=C2/NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1	ZINC000009323857	555097026	/nfs/dbraw/zinc/09/70/26/555097026.db2.gz	MLRYQWYDWNVGHE-FYJGNVAPSA-N	-1	0	489.459	3.634	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COCc3nc4ccccc4s3)cc2)n1	ZINC000009367500	555129663	/nfs/dbraw/zinc/12/96/63/555129663.db2.gz	YHBDSTASJVMLCD-UHFFFAOYSA-N	-1	0	483.575	3.659	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)[N-]c3noc4ccccc43)c21	ZINC000009409308	555174094	/nfs/dbraw/zinc/17/40/94/555174094.db2.gz	KWQRUWRKBFHAPG-UHFFFAOYSA-N	-1	0	450.314	3.690	50	0		JHAARM
Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1	ZINC000009468129	555246984	/nfs/dbraw/zinc/24/69/84/555246984.db2.gz	HTTJQAZGDUWWLN-UHFFFAOYSA-N	-1	0	479.518	3.714	50	0		JHAARM
O=C(NCCc1ccc2c(c1)OCCO2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000009468814	555249416	/nfs/dbraw/zinc/24/94/16/555249416.db2.gz	UNQNVFULIYCDQM-UHFFFAOYSA-N	-1	0	478.979	3.946	50	0		JHAARM
CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)ccc1C	ZINC000009493757	555276350	/nfs/dbraw/zinc/27/63/50/555276350.db2.gz	ZXLAQWVNUJZUSN-UHFFFAOYSA-N	-1	0	470.922	3.897	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1c(F)cc(F)c(Cl)c1F	ZINC000009493909	555277164	/nfs/dbraw/zinc/27/71/64/555277164.db2.gz	ICNGXEOBXXQOEM-UHFFFAOYSA-N	-1	0	468.906	3.733	50	0		JHAARM
Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)[n-]c2=O)cc1	ZINC000009518133	555312265	/nfs/dbraw/zinc/31/22/65/555312265.db2.gz	SENFHKJIPLLOQS-UHFFFAOYSA-N	-1	0	477.468	3.662	50	0		JHAARM
Nc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c(=O)c1NC(=O)c1ccc(F)c(F)c1	ZINC000009518201	555312501	/nfs/dbraw/zinc/31/25/01/555312501.db2.gz	XZQPAALLTIHXSC-UHFFFAOYSA-N	-1	0	499.421	3.632	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCc4ccccc4Cl)CC3)cc21	ZINC000009550326	555348787	/nfs/dbraw/zinc/34/87/87/555348787.db2.gz	LWSSTWFWGXNQBX-UHFFFAOYSA-N	-1	0	485.943	3.794	50	0		JHAARM
CC(C)Cc1nnc(NC(=O)CSc2nc(-c3ccccc3Cl)nc3cc(=O)[n-]n32)s1	ZINC000009640766	555351032	/nfs/dbraw/zinc/35/10/32/555351032.db2.gz	ODFZXITXHOABOE-UHFFFAOYSA-N	-1	0	475.987	3.519	50	0		JHAARM
CCSc1nc(O)c(C(c2cccc(OC)c2)c2c([O-])[nH]c(SCC)nc2=O)c(=O)[nH]1	ZINC000013153704	555359730	/nfs/dbraw/zinc/35/97/30/555359730.db2.gz	YFEFMQHFMWWMCL-UHFFFAOYSA-N	-1	0	462.553	3.502	50	0		JHAARM
Cc1ccccc1-n1c(SCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])nc2ccccc2c1=O	ZINC000009562789	555364447	/nfs/dbraw/zinc/36/44/47/555364447.db2.gz	CNUYNFTYKCWLPZ-NRFANRHFSA-N	-1	0	473.554	3.598	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2	ZINC000009671999	555392854	/nfs/dbraw/zinc/39/28/54/555392854.db2.gz	ZFIREICNPUPJCC-UHFFFAOYSA-N	-1	0	464.609	3.549	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)cc1Cl	ZINC000009684373	555413071	/nfs/dbraw/zinc/41/30/71/555413071.db2.gz	OIAQUJRHCVSSDZ-UHFFFAOYSA-N	-1	0	455.964	3.729	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1	ZINC000009613468	555449149	/nfs/dbraw/zinc/44/91/49/555449149.db2.gz	MNXBQIOKEXNMOX-UHFFFAOYSA-N	-1	0	479.407	3.977	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccccc1F	ZINC000009739463	555471131	/nfs/dbraw/zinc/47/11/31/555471131.db2.gz	RBVODFIPEVGDBG-UHFFFAOYSA-N	-1	0	460.458	3.870	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000013576494	555515565	/nfs/dbraw/zinc/51/55/65/555515565.db2.gz	JOFLTAIIGVQHCU-KIUWMYQTSA-N	-1	0	465.314	3.997	50	0		JHAARM
COc1ccccc1CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000013582131	555520149	/nfs/dbraw/zinc/52/01/49/555520149.db2.gz	HUHILJANOJULGC-SFHVURJKSA-N	-1	0	495.648	3.732	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)cc1	ZINC000009828556	555526447	/nfs/dbraw/zinc/52/64/47/555526447.db2.gz	JCBXNYYNRXKWNN-UHFFFAOYSA-N	-1	0	491.038	3.797	50	0		JHAARM
CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c([O-])c(Br)c2)N3)C1	ZINC000020101393	555634134	/nfs/dbraw/zinc/63/41/34/555634134.db2.gz	HCVLXVPYHUZBNV-CQSZACIVSA-N	-1	0	473.190	3.821	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000013880882	555639316	/nfs/dbraw/zinc/63/93/16/555639316.db2.gz	IOMQXOKVXRECFX-HIPSJFSSSA-N	-1	0	470.503	3.531	50	0		JHAARM
O=C([O-])CCCCCC[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1NC[C@@H](O)C1CCCCC1	ZINC000013884902	555640827	/nfs/dbraw/zinc/64/08/27/555640827.db2.gz	YZJVWSKJHGEIBL-FGZHOGPDSA-N	-1	0	459.587	3.690	50	0	in-vitro	JHAARM
O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000010237367	555659144	/nfs/dbraw/zinc/65/91/44/555659144.db2.gz	ITUUBUWQIUJQPN-UHFFFAOYSA-N	-1	0	465.940	3.550	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[n-]c2=O)cc1	ZINC000010433699	555708028	/nfs/dbraw/zinc/70/80/28/555708028.db2.gz	DNGFWWBUMXFUMU-UHFFFAOYSA-N	-1	0	483.493	3.661	50	0		JHAARM
COc1ccc(CNC(=O)CCCn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1	ZINC000020330540	555775840	/nfs/dbraw/zinc/77/58/40/555775840.db2.gz	PIBFRKYTKBUGLP-UHFFFAOYSA-N	-1	0	452.536	3.654	50	0		JHAARM
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(N2CCC(C)CC2)cc1	ZINC000011906670	555854903	/nfs/dbraw/zinc/85/49/03/555854903.db2.gz	NTVASYFZNMLLHG-UHFFFAOYSA-N	-1	0	493.651	3.662	50	0		JHAARM
COc1ccc(/C=C2\SC(=O)N(CCCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000012139909	555916466	/nfs/dbraw/zinc/91/64/66/555916466.db2.gz	FLSFZJVHHXLCAU-UYRXBGFRSA-N	-1	0	470.503	3.857	50	0		JHAARM
O=C([O-])CSCC(=O)Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000012340510	555953147	/nfs/dbraw/zinc/95/31/47/555953147.db2.gz	YLQCTNFLOYTBPY-UHFFFAOYSA-N	-1	0	459.998	3.662	50	0		JHAARM
CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])N2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000012341905	555953844	/nfs/dbraw/zinc/95/38/44/555953844.db2.gz	ILQUVLYODMIANR-FQEVSTJZSA-N	-1	0	481.578	3.598	50	0		JHAARM
CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341893	555953892	/nfs/dbraw/zinc/95/38/92/555953892.db2.gz	XQXNRJIMTLKURU-LJQANCHMSA-N	-1	0	451.552	3.508	50	0		JHAARM
CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341874	555953988	/nfs/dbraw/zinc/95/39/88/555953988.db2.gz	YPXRUSDSUAAXNW-SFHVURJKSA-N	-1	0	471.970	3.853	50	0		JHAARM
NC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1	ZINC000022851950	555958861	/nfs/dbraw/zinc/95/88/61/555958861.db2.gz	PEBXWVSUJBGKML-INIZCTEOSA-N	-1	0	457.943	3.697	50	0		JHAARM
CCOc1ccc(OCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1	ZINC000012526160	555994304	/nfs/dbraw/zinc/99/43/04/555994304.db2.gz	RJNBPTVQZGEVFK-UHFFFAOYSA-N	-1	0	470.551	3.701	50	0		JHAARM
O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012541886	556016833	/nfs/dbraw/zinc/01/68/33/556016833.db2.gz	NVMFAXCQLNBGQR-UHFFFAOYSA-N	-1	0	478.939	3.534	50	0		JHAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cc21	ZINC000023144274	556022988	/nfs/dbraw/zinc/02/29/88/556022988.db2.gz	IJRJDVOMRYUMBJ-UHFFFAOYSA-N	-1	0	495.538	3.574	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C)cc2)cc1NC(C)=O	ZINC000012548703	556027648	/nfs/dbraw/zinc/02/76/48/556027648.db2.gz	OTIYCUZEHMIEIW-UHFFFAOYSA-N	-1	0	467.547	3.693	50	0		JHAARM
C[C@@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000023188369	556029774	/nfs/dbraw/zinc/02/97/74/556029774.db2.gz	URMYENAACBXCMH-BXUZGUMPSA-N	-1	0	456.351	3.505	50	0		JHAARM
Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000023298841	556039062	/nfs/dbraw/zinc/03/90/62/556039062.db2.gz	VROPLULEFMETJS-UHFFFAOYSA-N	-1	0	493.593	3.791	50	0		JHAARM
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)c1OC	ZINC000016847675	556169572	/nfs/dbraw/zinc/16/95/72/556169572.db2.gz	LOKIPTLAWICREY-UHFFFAOYSA-N	-1	0	485.504	3.593	50	0		JHAARM
COc1ccc(NC(=O)CCc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1OC	ZINC000016848430	556169989	/nfs/dbraw/zinc/16/99/89/556169989.db2.gz	GKHZSJAHCPKAMT-UHFFFAOYSA-N	-1	0	465.528	3.672	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1	ZINC000016944940	556182838	/nfs/dbraw/zinc/18/28/38/556182838.db2.gz	YYTRTKBVVAFACM-UHFFFAOYSA-N	-1	0	488.587	3.646	50	0		JHAARM
Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017135461	556221707	/nfs/dbraw/zinc/22/17/07/556221707.db2.gz	BESQGEVPILSWDK-UHFFFAOYSA-N	-1	0	483.532	3.958	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C3CC3)ccc2OC)cc1Cl	ZINC000025593794	556227140	/nfs/dbraw/zinc/22/71/40/556227140.db2.gz	BHTCWKAMCZJVEW-GFCCVEGCSA-N	-1	0	468.959	3.695	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000017723376	556264590	/nfs/dbraw/zinc/26/45/90/556264590.db2.gz	GKPHNLBMVNMGAK-BJKOFHAPSA-N	-1	0	469.501	3.973	50	0		JHAARM
CC(=O)c1sc([N-]S(=O)(=O)c2cc(Br)ccc2Br)nc1C	ZINC000028248047	556327042	/nfs/dbraw/zinc/32/70/42/556327042.db2.gz	XNRNODXIVJLYHK-UHFFFAOYSA-N	-1	0	454.165	3.980	50	0		JHAARM
O=C(NC1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1)c1ccccc1	ZINC000028795381	556341110	/nfs/dbraw/zinc/34/11/10/556341110.db2.gz	KSXLQSZIQWVNOJ-UHFFFAOYSA-N	-1	0	487.585	3.829	50	0		JHAARM
O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000029503362	556352616	/nfs/dbraw/zinc/35/26/16/556352616.db2.gz	GHVNEUNJLVSCRF-NXVVXOECSA-N	-1	0	469.541	3.813	50	0		JHAARM
Cc1ccc(-c2nc(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cs2)cc1	ZINC000019676450	556359392	/nfs/dbraw/zinc/35/93/92/556359392.db2.gz	KQQVTBGIXOYUHF-UHFFFAOYSA-N	-1	0	465.560	3.891	50	0		JHAARM
COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)C)cc1	ZINC000013135344	556366102	/nfs/dbraw/zinc/36/61/02/556366102.db2.gz	LDPVPXHQRDDJHA-UHFFFAOYSA-N	-1	0	456.314	3.602	50	0		JHAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c(Br)s1	ZINC000032588091	556447070	/nfs/dbraw/zinc/44/70/70/556447070.db2.gz	DRSVIQZSMUCZBJ-UHFFFAOYSA-N	-1	0	470.750	3.769	50	0		JHAARM
COC(=O)c1c2n(c(-c3ccc([N-]S(=O)(=O)c4ccc(C)s4)cc3)c1C(=O)OC)CCC2	ZINC000032915886	556539651	/nfs/dbraw/zinc/53/96/51/556539651.db2.gz	VSHVKEBLSPTTNK-UHFFFAOYSA-N	-1	0	474.560	3.845	50	0		JHAARM
CCN(CC)c1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cn1	ZINC000032933147	556548550	/nfs/dbraw/zinc/54/85/50/556548550.db2.gz	MRVATKOKAVGFAA-UHFFFAOYSA-N	-1	0	456.543	3.798	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(NC(=O)c2ccc(F)cc2)c1	ZINC000032946783	556562004	/nfs/dbraw/zinc/56/20/04/556562004.db2.gz	LINCBALHQSGICF-UHFFFAOYSA-N	-1	0	494.498	3.676	50	0		JHAARM
O=C([O-])c1cn(-c2ccc(N3CCCC3)c(F)c2)c2c(F)c(N3CCOCC3)c(F)cc2c1=O	ZINC000008445179	569590637	/nfs/dbraw/zinc/59/06/37/569590637.db2.gz	DQFRQOLCYYADAS-UHFFFAOYSA-N	-1	0	473.451	3.543	50	0		JHAARM
O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccncc1)N2	ZINC000008672228	569592783	/nfs/dbraw/zinc/59/27/83/569592783.db2.gz	DSZSSIUFBNRAQJ-UHFFFAOYSA-N	-1	0	489.763	3.766	50	0		JHAARM
C[C@@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008719719	569597731	/nfs/dbraw/zinc/59/77/31/569597731.db2.gz	YJIGXHWEEINUTA-GFCCVEGCSA-N	-1	0	488.982	3.926	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C	ZINC000032975719	569606318	/nfs/dbraw/zinc/60/63/18/569606318.db2.gz	PSRMJPNBRCZMCB-RTBURBONSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)c(C(=O)[O-])c2)CC1	ZINC000033007233	569615410	/nfs/dbraw/zinc/61/54/10/569615410.db2.gz	NQDYSITWGRJWMH-UHFFFAOYSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)Cc4ccc(C)cc4)ccc3n2)CC1	ZINC000033010435	569616883	/nfs/dbraw/zinc/61/68/83/569616883.db2.gz	LWTLHZFRNVAWJZ-UHFFFAOYSA-N	-1	0	476.533	3.701	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3cc(C)cc(C)c3NC(C)=O)c(=O)[n-]2)cc1	ZINC000064774481	569626438	/nfs/dbraw/zinc/62/64/38/569626438.db2.gz	BLAITNMFNNAWFR-UHFFFAOYSA-N	-1	0	480.550	3.509	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4cc(C)ccc4C)c(Cl)cc32)no1	ZINC000065022495	569649060	/nfs/dbraw/zinc/64/90/60/569649060.db2.gz	OHNGMLYFCROXQQ-UHFFFAOYSA-N	-1	0	476.942	3.629	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4ccccc4CC)c(Cl)cc32)no1	ZINC000065022477	569649076	/nfs/dbraw/zinc/64/90/76/569649076.db2.gz	GZNVGRNDROYTTC-UHFFFAOYSA-N	-1	0	476.942	3.574	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)ccc1OCC1CCC1	ZINC000034767300	569658730	/nfs/dbraw/zinc/65/87/30/569658730.db2.gz	YDPTUWSFZZMVAM-UHFFFAOYSA-N	-1	0	462.550	3.723	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCCC4)c3c2)cc1Cl	ZINC000065115245	569665451	/nfs/dbraw/zinc/66/54/51/569665451.db2.gz	LNFQJPRJXVKKMQ-UHFFFAOYSA-N	-1	0	479.942	3.925	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C	ZINC000065116615	569666620	/nfs/dbraw/zinc/66/66/20/569666620.db2.gz	GXXRSEQLFSLONG-UHFFFAOYSA-N	-1	0	462.553	3.542	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1	ZINC000065137456	569668187	/nfs/dbraw/zinc/66/81/87/569668187.db2.gz	CWYALMDBVXKLSE-UHFFFAOYSA-N	-1	0	460.581	3.502	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)ccc1C	ZINC000065318973	569673454	/nfs/dbraw/zinc/67/34/54/569673454.db2.gz	KNYSNNBKQOMNHY-UHFFFAOYSA-N	-1	0	470.551	3.789	50	0		JHAARM
COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c(OC)c2c1OCO2	ZINC000066087932	569676757	/nfs/dbraw/zinc/67/67/57/569676757.db2.gz	ZQQUJIJFTGLMKL-CYBMUJFWSA-N	-1	0	454.410	3.535	50	0		JHAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NC(C)(C)C	ZINC000095841237	569728890	/nfs/dbraw/zinc/72/88/90/569728890.db2.gz	UAFUWPGDGADPNN-UHFFFAOYSA-N	-1	0	492.598	3.907	50	0		JHAARM
COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])c4ccccc4)c(C)c13)CCC(C)(C)O2	ZINC000036576615	569776770	/nfs/dbraw/zinc/77/67/70/569776770.db2.gz	SCGOESUFBIZPNO-QFIPXVFZSA-N	-1	0	465.502	3.698	50	0		JHAARM
C/C(=C/C(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1)C(=O)[O-]	ZINC000037019039	569781203	/nfs/dbraw/zinc/78/12/03/569781203.db2.gz	HTRPVZNZGVJSQX-LUAWRHEFSA-N	-1	0	451.262	3.758	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1C	ZINC000101086219	569781888	/nfs/dbraw/zinc/78/18/88/569781888.db2.gz	FSZGESCCVBWUMR-QZTJIDSGSA-N	-1	0	481.310	3.609	50	0		JHAARM
CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Br)cc4)c(=O)c2=3)cc1	ZINC000101166559	569785684	/nfs/dbraw/zinc/78/56/84/569785684.db2.gz	MASLWBOKCGOADB-RTBURBONSA-N	-1	0	470.327	3.504	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101262695	569788371	/nfs/dbraw/zinc/78/83/71/569788371.db2.gz	CSIMXYTVCAQPCO-RBUKOAKNSA-N	-1	0	484.875	3.810	50	0		JHAARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101495177	569800434	/nfs/dbraw/zinc/80/04/34/569800434.db2.gz	SYLXQHGDJYXCME-MRXNPFEDSA-N	-1	0	458.337	3.900	50	0		JHAARM
CCOCCCNC(=O)c1ccc(Cn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)cc1	ZINC000101497391	569800581	/nfs/dbraw/zinc/80/05/81/569800581.db2.gz	UVNNXJAWRVJDET-UHFFFAOYSA-N	-1	0	466.563	3.754	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C	ZINC000101628438	569802086	/nfs/dbraw/zinc/80/20/86/569802086.db2.gz	PSRMJPNBRCZMCB-KDURUIRLSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cc(OC)ccc2OC)cc1	ZINC000101836037	569805875	/nfs/dbraw/zinc/80/58/75/569805875.db2.gz	RXCGBMFZEZUMGC-FQEVSTJZSA-N	-1	0	464.478	3.535	50	0		JHAARM
COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000038750473	569806268	/nfs/dbraw/zinc/80/62/68/569806268.db2.gz	HWEFYAQNJGOSTJ-FQEVSTJZSA-N	-1	0	498.576	3.920	50	0	biogenic	JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1cccc(Cl)c1	ZINC000101893062	569807434	/nfs/dbraw/zinc/80/74/34/569807434.db2.gz	UFKOLAAEPXZYBG-HZPDHXFCSA-N	-1	0	476.802	3.902	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)CC)cc1	ZINC000040450288	569828300	/nfs/dbraw/zinc/82/83/00/569828300.db2.gz	JXKHUVGAJDUSJN-UHFFFAOYSA-N	-1	0	453.358	3.948	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(cc1Br)C[C@H](C)N2C(C)=O	ZINC000040450715	569828938	/nfs/dbraw/zinc/82/89/38/569828938.db2.gz	CPULQIQRJAODQT-LBPRGKRZSA-N	-1	0	453.358	3.864	50	0		JHAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)c1	ZINC000049543208	569848354	/nfs/dbraw/zinc/84/83/54/569848354.db2.gz	QDTIRJSBUVCTSP-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cc(OC)c(OC)cc2OC)CC(=O)N3)c1	ZINC000049543292	569848452	/nfs/dbraw/zinc/84/84/52/569848452.db2.gz	GAFYXKCXUIMPQM-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
O=C(/C=C\c1ccccc1)Oc1c(I)cc(S(=O)(=O)[O-])c2cccnc21	ZINC000210103598	569875974	/nfs/dbraw/zinc/87/59/74/569875974.db2.gz	LILJYYIKEUQTSJ-HJWRWDBZSA-N	-1	0	481.267	3.705	50	0		JHAARM
Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(C(=O)[O-])cc2)o1	ZINC000217888509	569882017	/nfs/dbraw/zinc/88/20/17/569882017.db2.gz	HVMQDLFASONLLW-HXUWFJFHSA-N	-1	0	472.497	3.940	50	0	biogenic	JHAARM
COC(=O)C[C@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(C(=O)[O-])cc1	ZINC000217894495	569882058	/nfs/dbraw/zinc/88/20/58/569882058.db2.gz	ROGWKGUPQWYBGT-IBGZPJMESA-N	-1	0	464.518	3.791	50	0	biogenic	JHAARM
Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)NC(=O)N(Cc2ccccc2)C1=O)[C@H]1C[C@@H](C)CCN31	ZINC000227077877	570039888	/nfs/dbraw/zinc/03/98/88/570039888.db2.gz	IKPNHQIOFCEZNE-OIIQBSKFSA-N	-1	0	468.557	3.969	50	0		JHAARM
COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)[C@@H]4CC=CC[C@H]4C(=O)[O-])cc3)C2=O)cc1	ZINC000245239587	570057831	/nfs/dbraw/zinc/05/78/31/570057831.db2.gz	KRKTZSAUUNDBTP-NJYVYQBISA-N	-1	0	480.542	3.725	50	0		JHAARM
O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3cccc([N+](=O)[O-])c3[O-])nc(N3CCCCCC3)[nH]2)cc1	ZINC000252642000	570090517	/nfs/dbraw/zinc/09/05/17/570090517.db2.gz	ZHWDKSLTAAEWCL-UHFFFAOYSA-N	-1	0	493.484	3.964	50	0		JHAARM
COc1cc([C@@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471269	570099396	/nfs/dbraw/zinc/09/93/96/570099396.db2.gz	OOYVLEPBGLYAEP-QGZVFWFLSA-N	-1	0	457.454	3.979	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccco2)C1	ZINC000328599988	570179142	/nfs/dbraw/zinc/17/91/42/570179142.db2.gz	VHWFSZDGHRDJLQ-FQEVSTJZSA-N	-1	0	481.530	3.931	50	0		JHAARM
Cn1nc(C(F)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)c1nccnc1C(=O)[O-]	ZINC000001029440	194005418	/nfs/dbraw/zinc/00/54/18/194005418.db2.gz	VFVLHYPBYRQZJW-UHFFFAOYSA-N	-1	0	470.205	3.609	50	0		JHAARM
Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)c1nccnc1C(=O)[O-]	ZINC000001029442	194005513	/nfs/dbraw/zinc/00/55/13/194005513.db2.gz	PSFBZPMKHLOAHQ-UHFFFAOYSA-N	-1	0	459.306	3.865	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C)OCO3)c1Cl	ZINC000001481831	194126046	/nfs/dbraw/zinc/12/60/46/194126046.db2.gz	PHWXUGHIIBDVKD-UHFFFAOYSA-N	-1	0	454.913	3.961	50	0	world	JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)n1	ZINC000001514587	194127014	/nfs/dbraw/zinc/12/70/14/194127014.db2.gz	RSTPZLQHLGZBMV-UHFFFAOYSA-N	-1	0	461.341	3.909	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1	ZINC000001652519	194130627	/nfs/dbraw/zinc/13/06/27/194130627.db2.gz	DTCGICIUPABHAN-HKPSVDRMSA-N	-1	0	453.498	3.751	50	0		JHAARM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000002924997	194170929	/nfs/dbraw/zinc/17/09/29/194170929.db2.gz	QEJDXMKUINUCKR-MFOYZWKCSA-N	-1	0	490.921	3.795	50	0		JHAARM
COc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000003040696	194215283	/nfs/dbraw/zinc/21/52/83/194215283.db2.gz	NHVKQIOKYRRFPB-AEFFLSMTSA-N	-1	0	474.517	3.823	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(C(=O)c2ccccc2)cc1	ZINC000003313231	194277650	/nfs/dbraw/zinc/27/76/50/194277650.db2.gz	WDQQQULTMHJUND-UHFFFAOYSA-N	-1	0	458.499	3.761	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1cc(OC)c(OC)c(OC)c1)N(C)C2=O	ZINC000003957639	194367206	/nfs/dbraw/zinc/36/72/06/194367206.db2.gz	OBPGELYTFSMDSQ-SFTDATJTSA-N	-1	0	459.495	3.505	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000004162558	194381540	/nfs/dbraw/zinc/38/15/40/194381540.db2.gz	RCYDNKZMUKJSCE-IOASZLSFSA-N	-1	0	463.275	3.957	50	0		JHAARM
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSC1=NC(=O)C(c2ccccc2)C([O-])=N1	ZINC000009227598	194614735	/nfs/dbraw/zinc/61/47/35/194614735.db2.gz	BDJMKZJLFGDOIM-UHFFFAOYSA-N	-1	0	478.555	3.701	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000009674489	194881241	/nfs/dbraw/zinc/88/12/41/194881241.db2.gz	MJLHVGFCASZLIV-DHIUTWEWSA-N	-1	0	455.474	3.719	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000009835819	194987094	/nfs/dbraw/zinc/98/70/94/194987094.db2.gz	YQNJSJQRCNIVPY-HZPDHXFCSA-N	-1	0	452.685	3.579	50	0		JHAARM
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc4c(cc3C(=O)[O-])OCCCO4)cc2)cc1	ZINC000009874888	195008118	/nfs/dbraw/zinc/00/81/18/195008118.db2.gz	HSRGKNUELUDJIZ-UHFFFAOYSA-N	-1	0	496.541	3.932	50	0		JHAARM
COc1ccc([C@@]2(C)NC(=O)N([N-]C(=O)c3ccc(-c4nc5ccccc5s4)o3)C2=O)cc1	ZINC000009875667	195008228	/nfs/dbraw/zinc/00/82/28/195008228.db2.gz	MBQICNLLDBYVPR-HSZRJFAPSA-N	-1	0	462.487	3.677	50	0		JHAARM
C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)C[C@H](C)O1	ZINC000012603877	195048856	/nfs/dbraw/zinc/04/88/56/195048856.db2.gz	XEINNWDMPWDUBD-OKILXGFUSA-N	-1	0	477.384	3.807	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(OC)cc2)[n-]c1=O	ZINC000021152002	195283301	/nfs/dbraw/zinc/28/33/01/195283301.db2.gz	OJZDBBMSWUYVPE-CQSZACIVSA-N	-1	0	467.551	3.617	50	0		JHAARM
CCN(C(C)=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)[n-]c1=O	ZINC000021157480	195285365	/nfs/dbraw/zinc/28/53/65/195285365.db2.gz	ARCPRHBNKZXAQB-UHFFFAOYSA-N	-1	0	471.970	3.897	50	0		JHAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)[C@@H](C)CC)ccc1Oc1c(C)c(C(=O)[O-])nn1CC	ZINC000096317809	130062407	/nfs/dbraw/zinc/06/24/07/130062407.db2.gz	XUSXQSDGRQVCBE-UONOGXRCSA-N	-1	0	480.587	3.763	50	0		JHAARM
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000045900327	519750286	/nfs/dbraw/zinc/75/02/86/519750286.db2.gz	WQLKUOQSONCTOH-UHFFFAOYSA-N	-1	0	463.441	3.540	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21	ZINC000016837532	520525364	/nfs/dbraw/zinc/52/53/64/520525364.db2.gz	BNNVQVMQNDEWGA-UHFFFAOYSA-N	-1	0	458.989	3.642	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)CC1	ZINC000012324088	520571174	/nfs/dbraw/zinc/57/11/74/520571174.db2.gz	VXJDYUGBEPWUDH-UHFFFAOYSA-N	-1	0	473.576	3.512	50	0		JHAARM
CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OCC(N)=O	ZINC000035477251	520784943	/nfs/dbraw/zinc/78/49/43/520784943.db2.gz	ACIBZKZWYJOWSK-OAHLLOKOSA-N	-1	0	484.505	3.989	50	0		JHAARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O	ZINC000009720723	521199570	/nfs/dbraw/zinc/19/95/70/521199570.db2.gz	UBDUFKLYZIYFLW-KEXZDQNZSA-N	-1	0	479.146	3.905	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2c(F)c(F)cc(F)c2F)[n-]c1=O	ZINC000045900339	521227629	/nfs/dbraw/zinc/22/76/29/521227629.db2.gz	BPVZSYACZIGDOH-SECBINFHSA-N	-1	0	495.458	3.856	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])C1	ZINC000033253409	521303878	/nfs/dbraw/zinc/30/38/78/521303878.db2.gz	KLFPJVKCDJHPOD-AWEZNQCLSA-N	-1	0	466.943	3.619	50	0		JHAARM
CCOC(=O)c1sc([N-]c2ncc(C(=O)OCC)c(CSc3nnc(C)s3)n2)nc1C	ZINC000002442529	521615350	/nfs/dbraw/zinc/61/53/50/521615350.db2.gz	GNFGZIWUDZVSGJ-UHFFFAOYSA-N	-1	0	480.597	3.791	50	0		JHAARM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1	ZINC000016751595	521694841	/nfs/dbraw/zinc/69/48/41/521694841.db2.gz	WXTYVRIHNIIXMN-UHFFFAOYSA-N	-1	0	490.419	3.973	50	0		JHAARM
COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1	ZINC000033530728	521921571	/nfs/dbraw/zinc/92/15/71/521921571.db2.gz	POXUNLCETRZOFW-JXAWBTAJSA-N	-1	0	482.558	3.948	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000013880880	521955926	/nfs/dbraw/zinc/95/59/26/521955926.db2.gz	IOMQXOKVXRECFX-YRIIZNAFSA-N	-1	0	470.503	3.531	50	0		JHAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1	ZINC000033308058	522129953	/nfs/dbraw/zinc/12/99/53/522129953.db2.gz	GGNFYRLHQHIPCZ-UHFFFAOYSA-N	-1	0	463.519	3.534	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc(OC)c1	ZINC000033171402	522753848	/nfs/dbraw/zinc/75/38/48/522753848.db2.gz	RYQQQRXISIWDOS-UHFFFAOYSA-N	-1	0	468.535	3.840	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000033276612	523076505	/nfs/dbraw/zinc/07/65/05/523076505.db2.gz	SHDFHEVTOPOUNN-UHFFFAOYSA-N	-1	0	492.916	3.833	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc3nc(N4CCCN(c5ncccn5)CC4)cc(C(=O)[O-])c3c2)cc1	ZINC000033260573	523755954	/nfs/dbraw/zinc/75/59/54/523755954.db2.gz	DDUFONSJRFANDB-UHFFFAOYSA-N	-1	0	498.543	3.701	50	0		JHAARM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000033294143	524492432	/nfs/dbraw/zinc/49/24/32/524492432.db2.gz	WYDOJXDGAYAMSS-DEDYPNTBSA-N	-1	0	477.498	3.859	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1	ZINC000033253079	524564216	/nfs/dbraw/zinc/56/42/16/524564216.db2.gz	TUYRYKYGSHXEMR-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4nc5c(cc4c3N)CCC5)cc2)n1	ZINC000006088836	524593106	/nfs/dbraw/zinc/59/31/06/524593106.db2.gz	GQTDRHULSCRQMF-UHFFFAOYSA-N	-1	0	494.602	3.827	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1	ZINC000004529177	524647955	/nfs/dbraw/zinc/64/79/55/524647955.db2.gz	FJHSSQTZVVEVPV-KRWDZBQOSA-N	-1	0	468.531	3.530	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)c1	ZINC000033170657	524871125	/nfs/dbraw/zinc/87/11/25/524871125.db2.gz	MDYCGKSIWABDAT-YFHOEESVSA-N	-1	0	487.534	3.938	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c1	ZINC000016096422	524881398	/nfs/dbraw/zinc/88/13/98/524881398.db2.gz	ZRRGCNGGSYZNKU-UHFFFAOYSA-N	-1	0	470.503	3.528	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)cc2)n(C)c(=O)n3C)cc1	ZINC000046141137	524991352	/nfs/dbraw/zinc/99/13/52/524991352.db2.gz	KQSRECQUCFZXKE-UHFFFAOYSA-N	-1	0	453.520	3.787	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1	ZINC000012508010	525081004	/nfs/dbraw/zinc/08/10/04/525081004.db2.gz	XKNARWNAAVPEEA-UHFFFAOYSA-N	-1	0	468.940	3.656	50	0		JHAARM
Cc1c(C(=O)[O-])c2cc(NS(=O)(=O)c3ccccc3)ccc2n1S(=O)(=O)c1ccccc1	ZINC000006142905	525665003	/nfs/dbraw/zinc/66/50/03/525665003.db2.gz	HGVSFXDGDBJBTA-UHFFFAOYSA-N	-1	0	470.528	3.686	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1NC(=O)c1cccc(Cl)c1	ZINC000045967813	526348859	/nfs/dbraw/zinc/34/88/59/526348859.db2.gz	VITDZCDJDVVAPO-UHFFFAOYSA-N	-1	0	499.011	3.815	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccccc2F)CC1	ZINC000033253122	526352693	/nfs/dbraw/zinc/35/26/93/526352693.db2.gz	ACRZHXWZGDJRAF-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000033253047	526353941	/nfs/dbraw/zinc/35/39/41/526353941.db2.gz	XOTMJTPDCNCNKM-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000014731691	526659289	/nfs/dbraw/zinc/65/92/89/526659289.db2.gz	GTRVALNYPVILBJ-UHFFFAOYSA-N	-1	0	467.482	3.643	50	0		JHAARM
O=C(c1ccco1)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1	ZINC000022851815	526831077	/nfs/dbraw/zinc/83/10/77/526831077.db2.gz	QFMBAWAVROFGQV-IBGZPJMESA-N	-1	0	475.530	3.897	50	0		JHAARM
O=C([N-]S(=O)(=O)Oc1cccc(F)c1)Nc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1	ZINC000012428788	527498987	/nfs/dbraw/zinc/49/89/87/527498987.db2.gz	HFHIFJBFBJWQJU-UHFFFAOYSA-N	-1	0	474.367	3.886	50	0		JHAARM
O=C([O-])CCCCCNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3	ZINC000002638935	527580035	/nfs/dbraw/zinc/58/00/35/527580035.db2.gz	ZLMHEUDMYUZIJB-UHFFFAOYSA-N	-1	0	471.604	3.789	50	0		JHAARM
CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-]	ZINC000000642571	553724362	/nfs/dbraw/zinc/72/43/62/553724362.db2.gz	UPXRTVAIJMUAQR-VFNWGFHPSA-N	-1	0	452.507	3.988	50	0		JHAARM
Cc1nc2c(cnn2CCc2ccccc2)c(Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)n1	ZINC000000646856	553727668	/nfs/dbraw/zinc/72/76/68/553727668.db2.gz	QVOVRVSZHFETAC-UHFFFAOYSA-N	-1	0	486.561	3.712	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)s1	ZINC000000671473	553745660	/nfs/dbraw/zinc/74/56/60/553745660.db2.gz	AZATYDIKQMEXLV-UHFFFAOYSA-N	-1	0	467.370	3.916	50	0		JHAARM
CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1OCC	ZINC000000898290	553833141	/nfs/dbraw/zinc/83/31/41/553833141.db2.gz	UYSYRDPMFUKYJS-UHFFFAOYSA-N	-1	0	456.524	3.636	50	0		JHAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1	ZINC000000959242	553885430	/nfs/dbraw/zinc/88/54/30/553885430.db2.gz	QRZMFQYXXMTUIC-UHFFFAOYSA-N	-1	0	453.307	3.845	50	0		JHAARM
Cc1cc(OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c2c3c(c(=O)oc2c1)CCC3	ZINC000002126228	554058259	/nfs/dbraw/zinc/05/82/59/554058259.db2.gz	FEVMVJXNJGKNHI-UHFFFAOYSA-N	-1	0	461.514	3.614	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002136701	554062080	/nfs/dbraw/zinc/06/20/80/554062080.db2.gz	PILODEJWJAFZST-JOCHJYFZSA-N	-1	0	478.501	3.513	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002136699	554062112	/nfs/dbraw/zinc/06/21/12/554062112.db2.gz	PILODEJWJAFZST-QFIPXVFZSA-N	-1	0	478.501	3.513	50	0	biogenic	JHAARM
COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C(=O)[O-])cc2)c1	ZINC000002233319	554106533	/nfs/dbraw/zinc/10/65/33/554106533.db2.gz	VLTKHMWKWLURDD-UHFFFAOYSA-N	-1	0	480.502	3.974	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)cc1	ZINC000002270154	554126534	/nfs/dbraw/zinc/12/65/34/554126534.db2.gz	NUOCLGYVOXGZAN-UHFFFAOYSA-N	-1	0	477.502	3.861	50	0		JHAARM
COc1ccc(-n2c3nnc([S-])n3c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1	ZINC000002288330	554134110	/nfs/dbraw/zinc/13/41/10/554134110.db2.gz	QRVUJNUHEASIAG-UHFFFAOYSA-N	-1	0	475.599	3.951	50	0		JHAARM
Cc1ccc(-n2c3nnc(SCC(=O)[O-])n3c3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1	ZINC000002312740	554144133	/nfs/dbraw/zinc/14/41/33/554144133.db2.gz	KGOQKDVNICHGCQ-OAHLLOKOSA-N	-1	0	470.576	3.677	50	0		JHAARM
CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1	ZINC000002881771	554403956	/nfs/dbraw/zinc/40/39/56/554403956.db2.gz	VAIJVVMRVRAYBC-UHFFFAOYSA-N	-1	0	455.974	3.752	50	0		JHAARM
COc1ccc(Cn2c(=O)c3ccc(C(=O)NCc4ccccc4OC)cc3[n-]c2=S)cc1	ZINC000003632291	554469040	/nfs/dbraw/zinc/46/90/40/554469040.db2.gz	DRPIOUIAHQAVKW-UHFFFAOYSA-N	-1	0	461.543	3.681	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCCn2cnc3ccccc32)cc1	ZINC000008746032	554649110	/nfs/dbraw/zinc/64/91/10/554649110.db2.gz	QYDSDHMPQHPBAH-UHFFFAOYSA-N	-1	0	464.547	3.666	50	0		JHAARM
COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])c4ccccc4)c(C)c13)CCC(C)(C)O2	ZINC000008765298	554665781	/nfs/dbraw/zinc/66/57/81/554665781.db2.gz	SCGOESUFBIZPNO-JOCHJYFZSA-N	-1	0	465.502	3.698	50	0	biogenic	JHAARM
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000008772058	554671818	/nfs/dbraw/zinc/67/18/18/554671818.db2.gz	RCJVJLUYNLFGOS-SCTDSRPQSA-N	-1	0	478.615	3.566	50	0		JHAARM
CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])(c2ccccc2)CC1	ZINC000008829146	554719495	/nfs/dbraw/zinc/71/94/95/554719495.db2.gz	WDMQJMVDLGWOBV-NRFANRHFSA-N	-1	0	452.551	3.767	50	0		JHAARM
CSc1ncc(Cl)c(C(=O)[N-]c2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)s2)n1	ZINC000008868325	554761983	/nfs/dbraw/zinc/76/19/83/554761983.db2.gz	NRYXLELFGNDZMU-UHFFFAOYSA-N	-1	0	476.392	3.583	50	0		JHAARM
CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(Br)cc1	ZINC000008920089	554816956	/nfs/dbraw/zinc/81/69/56/554816956.db2.gz	BASDMYFYVQGREX-PBHICJAKSA-N	-1	0	452.326	3.855	50	0		JHAARM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)Nc4ccccc4)CC3)c(F)cc2c1=O	ZINC000009076113	554887349	/nfs/dbraw/zinc/88/73/49/554887349.db2.gz	QDTVVIXSOXKJHC-UHFFFAOYSA-N	-1	0	450.470	3.528	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)C1	ZINC000009096894	554895605	/nfs/dbraw/zinc/89/56/05/554895605.db2.gz	NTWWYWUZSRVJSN-MRXNPFEDSA-N	-1	0	480.970	3.565	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)c(OC)c1	ZINC000009168268	554952335	/nfs/dbraw/zinc/95/23/35/554952335.db2.gz	KOUGIPVCQXJQIU-UHFFFAOYSA-N	-1	0	462.568	3.912	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1	ZINC000009226278	554999066	/nfs/dbraw/zinc/99/90/66/554999066.db2.gz	LSRMFVLPLKMUIV-UHFFFAOYSA-N	-1	0	465.531	3.811	50	0		JHAARM
COc1cccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c1OCC(=O)[O-]	ZINC000009234093	555007558	/nfs/dbraw/zinc/00/75/58/555007558.db2.gz	GXKIWNDJCNLGMC-UBKPWBPPSA-N	-1	0	477.878	3.777	50	0		JHAARM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000009264733	555039779	/nfs/dbraw/zinc/03/97/79/555039779.db2.gz	LXTUDXIGGAOSQO-DEDYPNTBSA-N	-1	0	477.498	3.859	50	0		JHAARM
Cn1c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)[N-]c4ccccc4)c3)cc2n(C)c1=O	ZINC000009356089	555120802	/nfs/dbraw/zinc/12/08/02/555120802.db2.gz	QJQRNRGDYZYUPH-UHFFFAOYSA-N	-1	0	470.938	3.584	50	0		JHAARM
O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000009421809	555187653	/nfs/dbraw/zinc/18/76/53/555187653.db2.gz	BPADUMLRAXIJTD-UHFFFAOYSA-N	-1	0	490.570	3.989	50	0		JHAARM
CN(C)S(=O)(=O)c1cccc(NC(=S)n2cc(C(=O)c3cc(Cl)cc(Cl)c3[O-])cn2)c1	ZINC000009445070	555218068	/nfs/dbraw/zinc/21/80/68/555218068.db2.gz	AJJMWUYKHCKRMQ-UHFFFAOYSA-N	-1	0	499.401	3.622	50	0		JHAARM
O=C1Cc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3OCC(F)(F)F)ccc2N1	ZINC000009464310	555236055	/nfs/dbraw/zinc/23/60/55/555236055.db2.gz	PURLYRMMTFKZSF-UHFFFAOYSA-N	-1	0	454.348	3.942	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(C)c(C)c3)c2)cc1	ZINC000009490938	555267274	/nfs/dbraw/zinc/26/72/74/555267274.db2.gz	AMFPMHLUYNJFQX-UHFFFAOYSA-N	-1	0	476.576	3.922	50	0		JHAARM
C[C@@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(=O)N1CCCCC1	ZINC000009539704	555331441	/nfs/dbraw/zinc/33/14/41/555331441.db2.gz	UMZGFKXJCWQLKC-CQSZACIVSA-N	-1	0	468.934	3.838	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1	ZINC000009556218	555351031	/nfs/dbraw/zinc/35/10/31/555351031.db2.gz	KNFBOQNCFIDGFB-SKBVVQJISA-N	-1	0	492.539	3.666	50	0		JHAARM
Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000013255610	555370893	/nfs/dbraw/zinc/37/08/93/555370893.db2.gz	GLXHKAFUXVGVLB-GOSISDBHSA-N	-1	0	469.954	3.521	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1	ZINC000013416644	555397274	/nfs/dbraw/zinc/39/72/74/555397274.db2.gz	VNQKZPLOBVUAEA-HXUWFJFHSA-N	-1	0	487.541	3.913	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N(c1ccccc1)c1ccccc1	ZINC000009674592	555399860	/nfs/dbraw/zinc/39/98/60/555399860.db2.gz	JEDRYOFIUJGPDT-VXKWHMMOSA-N	-1	0	459.893	3.998	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000009674519	555399892	/nfs/dbraw/zinc/39/98/92/555399892.db2.gz	JUKALPLQGZRLPF-CVEARBPZSA-N	-1	0	452.685	3.579	50	0		JHAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000013579046	555517720	/nfs/dbraw/zinc/51/77/20/555517720.db2.gz	HGUAOLRXNVISFD-RBUKOAKNSA-N	-1	0	456.882	3.741	50	0		JHAARM
C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000013579174	555517992	/nfs/dbraw/zinc/51/79/92/555517992.db2.gz	BYAFJRRNIFPOBE-MRXNPFEDSA-N	-1	0	458.470	3.772	50	0		JHAARM
COc1ccc(CCCC(=O)NN=Cc2cc(Br)c(OCC(=O)[O-])c(OC)c2)c(C)c1	ZINC000019881705	555526965	/nfs/dbraw/zinc/52/69/65/555526965.db2.gz	CXESUBLODQLLCM-UHFFFAOYSA-N	-1	0	493.354	3.711	50	0		JHAARM
Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N-]S(C)(=O)=O)cc2)c1	ZINC000010060245	555612432	/nfs/dbraw/zinc/61/24/32/555612432.db2.gz	CNQKEUOGYWAUNG-UHFFFAOYSA-N	-1	0	473.576	3.728	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1	ZINC000010060246	555612439	/nfs/dbraw/zinc/61/24/39/555612439.db2.gz	QBETUNUPWBGXSA-UHFFFAOYSA-N	-1	0	485.587	3.524	50	0		JHAARM
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1	ZINC000013949276	555658760	/nfs/dbraw/zinc/65/87/60/555658760.db2.gz	GNAIGWVHCHIPQI-STQMWFEESA-N	-1	0	493.470	3.978	50	0		JHAARM
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1	ZINC000013949275	555658819	/nfs/dbraw/zinc/65/88/19/555658819.db2.gz	GNAIGWVHCHIPQI-BETUJISGSA-N	-1	0	493.470	3.978	50	0		JHAARM
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1	ZINC000010386494	555704716	/nfs/dbraw/zinc/70/47/16/555704716.db2.gz	KEDLKKKIAVPBAV-LJQANCHMSA-N	-1	0	466.559	3.629	50	0		JHAARM
O=C([O-])c1nn(CC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(=O)c2ccccc21	ZINC000010862631	555744279	/nfs/dbraw/zinc/74/42/79/555744279.db2.gz	MHMDZAGEZZJJQX-UHFFFAOYSA-N	-1	0	465.469	3.586	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4cccc(OC)c4)c3=O)c2c1	ZINC000020330594	555775851	/nfs/dbraw/zinc/77/58/51/555775851.db2.gz	CIXOMTUCPZHIHI-UHFFFAOYSA-N	-1	0	452.536	3.654	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)oc2c1C	ZINC000011865479	555840288	/nfs/dbraw/zinc/84/02/88/555840288.db2.gz	JRPNNSNRNQNOMT-OAQYLSRUSA-N	-1	0	462.502	3.644	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1)CN(C(=O)Cc1ccccc1F)CC2	ZINC000011881987	555850227	/nfs/dbraw/zinc/85/02/27/555850227.db2.gz	LKGMIVSOSXPOAF-UHFFFAOYSA-N	-1	0	488.562	3.602	50	0		JHAARM
COC(=O)c1cc(CNC(=O)COc2ccccc2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012150247	555922388	/nfs/dbraw/zinc/92/23/88/555922388.db2.gz	XHDVLEGFCBZMIX-UHFFFAOYSA-N	-1	0	488.949	3.623	50	0		JHAARM
Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000015670446	555926333	/nfs/dbraw/zinc/92/63/33/555926333.db2.gz	BIMFTRAXFIMICI-KRWDZBQOSA-N	-1	0	460.881	3.858	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341878	555953983	/nfs/dbraw/zinc/95/39/83/555953983.db2.gz	JJBIWICUFWZLIP-SFHVURJKSA-N	-1	0	471.970	3.853	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1	ZINC000015768001	555986474	/nfs/dbraw/zinc/98/64/74/555986474.db2.gz	ACIDMQZXZZBSFA-ZSFFSCSXSA-N	-1	0	483.318	3.625	50	0		JHAARM
Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)nc2c1	ZINC000012529491	555999435	/nfs/dbraw/zinc/99/94/35/555999435.db2.gz	FEXDWFHHDQYDSR-AWEZNQCLSA-N	-1	0	468.564	3.581	50	0		JHAARM
Cc1c(Cl)cccc1N1C(=O)C[C@H](Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000023043176	556002017	/nfs/dbraw/zinc/00/20/17/556002017.db2.gz	KNTXVQQJEJUBNH-INIZCTEOSA-N	-1	0	476.967	3.650	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccnn1C(C)C	ZINC000012536144	556009046	/nfs/dbraw/zinc/00/90/46/556009046.db2.gz	XLUIJLCXHJBVKH-UHFFFAOYSA-N	-1	0	474.514	3.508	50	0		JHAARM
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012536092	556009048	/nfs/dbraw/zinc/00/90/48/556009048.db2.gz	CEJDEJURHXMPFE-UHFFFAOYSA-N	-1	0	479.967	3.940	50	0		JHAARM
CCOC(=O)N1CCN(C(=O)Cc2c(C)[n-]n(-c3nc(-c4ccc(Cl)cc4)cs3)c2=O)CC1	ZINC000015858724	556026030	/nfs/dbraw/zinc/02/60/30/556026030.db2.gz	JNJRQMVQJBKUGM-UHFFFAOYSA-N	-1	0	489.985	3.506	50	0		JHAARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(C)c2)C1=O	ZINC000016534137	556142330	/nfs/dbraw/zinc/14/23/30/556142330.db2.gz	WOHRDMRCFUCVPU-ODLFYWEKSA-N	-1	0	452.898	3.779	50	0		JHAARM
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CSc1nnc(C)c(=O)[n-]1	ZINC000017779916	556266616	/nfs/dbraw/zinc/26/66/16/556266616.db2.gz	VQPURKBPWWQWLN-UHFFFAOYSA-N	-1	0	460.537	3.530	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)cc2)c1C	ZINC000018266317	556317602	/nfs/dbraw/zinc/31/76/02/556317602.db2.gz	GSKSNSJJNBDWKN-UHFFFAOYSA-N	-1	0	484.563	3.608	50	0		JHAARM
COc1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000019596034	556356587	/nfs/dbraw/zinc/35/65/87/556356587.db2.gz	SZGOHUMTUGXOER-UHFFFAOYSA-N	-1	0	491.585	3.858	50	0		JHAARM
O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCC(Cc4ccccc4)CC3)c2c1	ZINC000032073850	556413677	/nfs/dbraw/zinc/41/36/77/556413677.db2.gz	WQANGIJAHHRVMA-REJWQLKLSA-N	-1	0	461.518	3.828	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccc(F)cc3)CC2)cc1	ZINC000032946762	556561595	/nfs/dbraw/zinc/56/15/95/556561595.db2.gz	LLDXLMVHDTYGGV-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(CC(C)C)cc2)CC1	ZINC000032961846	556579444	/nfs/dbraw/zinc/57/94/44/556579444.db2.gz	VMLXQGFPCVXWCR-UHFFFAOYSA-N	-1	0	489.594	3.663	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000001123864	562919796	/nfs/dbraw/zinc/91/97/96/562919796.db2.gz	ACWYHAKFRZJNKM-NHCUHLMSSA-N	-1	0	463.534	3.689	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NCc2ccc(-n3cccn3)nc2)c1	ZINC000008720742	569598194	/nfs/dbraw/zinc/59/81/94/569598194.db2.gz	NWEAGFIHSFFNMJ-UHFFFAOYSA-N	-1	0	497.964	3.660	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)n1	ZINC000008722870	569599215	/nfs/dbraw/zinc/59/92/15/569599215.db2.gz	TUCOXUVLCLSJAY-HNNXBMFYSA-N	-1	0	460.943	3.954	50	0		JHAARM
COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Br)c1O	ZINC000008726155	569600797	/nfs/dbraw/zinc/60/07/97/569600797.db2.gz	VWCCNPFFHIGTFZ-XGICHPGQSA-N	-1	0	451.660	3.835	50	0		JHAARM
Cc1ccc(CN2C[C@H](C(=O)Nc3nnc(SCc4ccc(C(=O)[O-])cc4)s3)CC2=O)cc1	ZINC000008727753	569601259	/nfs/dbraw/zinc/60/12/59/569601259.db2.gz	UTBHKKIMQVFCFQ-GOSISDBHSA-N	-1	0	482.587	3.824	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000032975693	569606200	/nfs/dbraw/zinc/60/62/00/569606200.db2.gz	XGQXQFJVNXBUAP-QZTJIDSGSA-N	-1	0	462.955	3.825	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])c(C)c1	ZINC000033007114	569615167	/nfs/dbraw/zinc/61/51/67/569615167.db2.gz	DQKGBYJPBPALJV-UHFFFAOYSA-N	-1	0	480.590	3.832	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)c(C(=O)[O-])c2)C1	ZINC000064589221	569620885	/nfs/dbraw/zinc/62/08/85/569620885.db2.gz	WEEPIGWNTDJGSR-SFHVURJKSA-N	-1	0	454.523	3.744	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)CC2)cc1	ZINC000064589524	569620937	/nfs/dbraw/zinc/62/09/37/569620937.db2.gz	ZZURFEIXFATDAO-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
COc1ccc(CC(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)cc2C(=O)[O-])cc1	ZINC000064590394	569621484	/nfs/dbraw/zinc/62/14/84/569621484.db2.gz	IQPYVGXSKGWSGM-UHFFFAOYSA-N	-1	0	475.545	3.910	50	0	biogenic	JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3Cc2ccccc2)c1	ZINC000064727886	569625046	/nfs/dbraw/zinc/62/50/46/569625046.db2.gz	MIUPRHZZBRHKLG-UHFFFAOYSA-N	-1	0	456.545	3.929	50	0		JHAARM
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)[n-]c1=O	ZINC000064774462	569626386	/nfs/dbraw/zinc/62/63/86/569626386.db2.gz	DXFNVQUTTCHLIZ-UHFFFAOYSA-N	-1	0	459.478	3.828	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)[n-]c1=O	ZINC000064774918	569627184	/nfs/dbraw/zinc/62/71/84/569627184.db2.gz	YGCQTJKLLKJTHK-UHFFFAOYSA-N	-1	0	459.478	3.910	50	0		JHAARM
O=C(/C=C\c1ccc(F)cc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000033907882	569637295	/nfs/dbraw/zinc/63/72/95/569637295.db2.gz	ALROOFIJOJHJQM-KMKOMSMNSA-N	-1	0	462.553	3.609	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ncc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])C1	ZINC000064843239	569637787	/nfs/dbraw/zinc/63/77/87/569637787.db2.gz	KLDLWTHSBKDOJD-GOSISDBHSA-N	-1	0	489.594	3.559	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000064844147	569638273	/nfs/dbraw/zinc/63/82/73/569638273.db2.gz	YXCJAZUKHIYECH-LJQANCHMSA-N	-1	0	472.611	3.510	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC3CCC3)c2)c1	ZINC000065059825	569655025	/nfs/dbraw/zinc/65/50/25/569655025.db2.gz	RYXDPRWQVBXXAM-UHFFFAOYSA-N	-1	0	483.546	3.974	50	0		JHAARM
O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)N1CCN(c2ccccc2F)CC1	ZINC000034767524	569658779	/nfs/dbraw/zinc/65/87/79/569658779.db2.gz	ADNYZQRKGOQIMV-UHFFFAOYSA-N	-1	0	475.446	3.684	50	0		JHAARM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)cs1	ZINC000065098758	569661802	/nfs/dbraw/zinc/66/18/02/569661802.db2.gz	KSORPFAYXZQVEP-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c2)o1)N1CCCC1	ZINC000065098862	569662010	/nfs/dbraw/zinc/66/20/10/569662010.db2.gz	RREXXYAQVYRSOJ-UHFFFAOYSA-N	-1	0	456.908	3.627	50	0		JHAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)cc1	ZINC000065137358	569668079	/nfs/dbraw/zinc/66/80/79/569668079.db2.gz	ZXEFMJDMEZADMS-UHFFFAOYSA-N	-1	0	472.592	3.696	50	0		JHAARM
O=C([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)c([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000035397908	569688654	/nfs/dbraw/zinc/68/86/54/569688654.db2.gz	MEUAWFKGTSPMSO-UHFFFAOYSA-N	-1	0	479.002	3.689	50	0		JHAARM
CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1	ZINC000071328652	569696889	/nfs/dbraw/zinc/69/68/89/569696889.db2.gz	CVMQEQQSSSSECL-OAQYLSRUSA-N	-1	0	478.526	3.516	50	0		JHAARM
O=c1[n-]c(-c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)n[nH]1	ZINC000071793599	569698544	/nfs/dbraw/zinc/69/85/44/569698544.db2.gz	FSEHJMNRDLHJHD-UHFFFAOYSA-N	-1	0	452.336	3.603	50	0		JHAARM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000089646996	569719431	/nfs/dbraw/zinc/71/94/31/569719431.db2.gz	NUFSHZHOQRTLPI-UHFFFAOYSA-N	-1	0	462.515	3.989	50	0		JHAARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNNc3ccc(I)cc3)C2=O)c1	ZINC000095471476	569723549	/nfs/dbraw/zinc/72/35/49/569723549.db2.gz	YYBNXPOQCDIMEE-GDNBJRDFSA-N	-1	0	462.247	3.523	50	0		JHAARM
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000096601934	569742358	/nfs/dbraw/zinc/74/23/58/569742358.db2.gz	IVFRUKAIKIDYLR-FHVQWMRVSA-N	-1	0	465.594	3.637	50	0		JHAARM
Cc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3cn(CCC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1	ZINC000036359733	569772353	/nfs/dbraw/zinc/77/23/53/569772353.db2.gz	IBCLAXZVAKBCQV-XMMPIXPASA-N	-1	0	453.514	3.820	50	0		JHAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(C/C=C/c3ccccc3)CC1)cn2CCC(=O)[O-]	ZINC000036369823	569773211	/nfs/dbraw/zinc/77/32/11/569773211.db2.gz	IKFYRUCZQPCYNP-ZWDKTXKMSA-N	-1	0	477.561	3.581	50	0	biogenic	JHAARM
CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=S)n(-c2ccc(Br)cc2)c1=O	ZINC000100915495	569775671	/nfs/dbraw/zinc/77/56/71/569775671.db2.gz	HYXJQCPALSORCJ-SFHVURJKSA-N	-1	0	472.364	3.857	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101261164	569788265	/nfs/dbraw/zinc/78/82/65/569788265.db2.gz	VVCCAAPVNQHGBU-ZWKOTPCHSA-N	-1	0	470.411	3.811	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)c=3c2=O)cc1Cl	ZINC000101262666	569788271	/nfs/dbraw/zinc/78/82/71/569788271.db2.gz	OJFVKAPYLRBJQG-VQTJNVASSA-N	-1	0	480.912	3.979	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262760	569788448	/nfs/dbraw/zinc/78/84/48/569788448.db2.gz	IVGIXUSUFGFRFC-RTBURBONSA-N	-1	0	482.422	3.738	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1C	ZINC000101277504	569788891	/nfs/dbraw/zinc/78/88/91/569788891.db2.gz	XUFXXRQDOCVPDC-RTBURBONSA-N	-1	0	450.886	3.809	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000101416186	569797397	/nfs/dbraw/zinc/79/73/97/569797397.db2.gz	YQNJSJQRCNIVPY-CVEARBPZSA-N	-1	0	452.685	3.579	50	0		JHAARM
Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nc([N-]S(C)(=O)=O)nn32)cc1	ZINC000101618436	569801755	/nfs/dbraw/zinc/80/17/55/569801755.db2.gz	YPQAEWBPCCEBFQ-KRWDZBQOSA-N	-1	0	460.357	3.777	50	0		JHAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1ccc(C(C)C)cc1	ZINC000101764984	569803806	/nfs/dbraw/zinc/80/38/06/569803806.db2.gz	ZWQXPSLYCFOEOM-FQEVSTJZSA-N	-1	0	452.555	3.959	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1	ZINC000102290098	569811971	/nfs/dbraw/zinc/81/19/71/569811971.db2.gz	NYQRIIBVZOIWTG-PMACEKPBSA-N	-1	0	456.564	3.788	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000102289785	569812066	/nfs/dbraw/zinc/81/20/66/569812066.db2.gz	HWMJTDLEIXLIDW-OALUTQOASA-N	-1	0	456.564	3.788	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC)cc5OC)oc4C)c=3c2=O)cc1	ZINC000102479234	569813482	/nfs/dbraw/zinc/81/34/82/569813482.db2.gz	LDXNXSRVDVHSOH-VXKWHMMOSA-N	-1	0	475.505	3.723	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCc3cccc(C)c3)c(=O)[n-]2)cc1OC	ZINC000040426141	569828054	/nfs/dbraw/zinc/82/80/54/569828054.db2.gz	GERAMCFKFZWLMH-UHFFFAOYSA-N	-1	0	450.539	3.989	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1OC	ZINC000040450561	569828697	/nfs/dbraw/zinc/82/86/97/569828697.db2.gz	GIOHUIOQRXFOJH-NSHDSACASA-N	-1	0	469.357	3.565	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)cc21	ZINC000040454559	569829391	/nfs/dbraw/zinc/82/93/91/569829391.db2.gz	XBJWHDUEJYWUNP-UHFFFAOYSA-N	-1	0	469.357	3.566	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1	ZINC000113560836	569861911	/nfs/dbraw/zinc/86/19/11/569861911.db2.gz	LBPJEBBRKIEHOV-FYCOFBDGSA-N	-1	0	465.314	3.997	50	0		JHAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3SC2=NC(=O)SC2[C@@H]1c1ccco1	ZINC000226927604	570039354	/nfs/dbraw/zinc/03/93/54/570039354.db2.gz	FLCCNUYNBCEBCN-PUAXEYAWSA-N	-1	0	488.587	3.560	50	0		JHAARM
Cc1oc2cc3oc(=O)c(CC(=O)NC[C@H]4CC[C@H](C(=O)NCCC(=O)[O-])CC4)c(C)c3cc2c1C	ZINC000245325550	570064288	/nfs/dbraw/zinc/06/42/88/570064288.db2.gz	FPHYQHSVHCVLJC-IYARVYRRSA-N	-1	0	496.560	3.520	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000252671964	570092662	/nfs/dbraw/zinc/09/26/62/570092662.db2.gz	OTMULPYJGARLGK-HSZRJFAPSA-N	-1	0	490.581	3.620	50	0		JHAARM
Cc1c(C)c2c(OCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc3c(c2oc1=O)CCC(C)(C)O3	ZINC000252693886	570094733	/nfs/dbraw/zinc/09/47/33/570094733.db2.gz	GUORJAXLSPVJJM-QAQDUYKDSA-N	-1	0	471.550	3.899	50	0	biogenic	JHAARM
COc1ccc2cc([C@H]3CC(=O)Oc4ccc(C(=O)c5ccccc5)c([O-])c43)c(=O)n(C)c2c1	ZINC000253412687	570097921	/nfs/dbraw/zinc/09/79/21/570097921.db2.gz	RSQZSZGXQMCFSG-LJQANCHMSA-N	-1	0	455.466	3.925	50	0	biogenic	JHAARM
COc1ccc([C@@H](CC(=O)NCc2ccc3c(c2)OCO3)c2c([O-])c3ccccc3oc2=O)cc1O	ZINC000253471169	570099255	/nfs/dbraw/zinc/09/92/55/570099255.db2.gz	NILGZPYBEPMKHH-GOSISDBHSA-N	-1	0	489.480	3.780	50	0		JHAARM
Cc1cc([O-])c([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2ccc3c(c2)OCO3)c(=O)o1	ZINC000253471259	570099383	/nfs/dbraw/zinc/09/93/83/570099383.db2.gz	ONDCIXFMVLFESL-IBGZPJMESA-N	-1	0	460.486	3.745	50	0		JHAARM
COc1ccc([C@@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471669	570099508	/nfs/dbraw/zinc/09/95/08/570099508.db2.gz	WZGKXWLCISWALH-GOSISDBHSA-N	-1	0	469.490	3.849	50	0		JHAARM
COc1ccc([C@H](CC(=O)NCCc2ccccc2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263586773	570171977	/nfs/dbraw/zinc/17/19/77/570171977.db2.gz	XTKXALRKOBDPFB-IBGZPJMESA-N	-1	0	467.518	3.561	50	0	biogenic	JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(C)cc1)CN(C(=O)[C@@H]1CC=CCC1)CC2	ZINC000299789217	570176817	/nfs/dbraw/zinc/17/68/17/570176817.db2.gz	ULIUTXQWIHCVEA-MRXNPFEDSA-N	-1	0	474.604	3.885	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccco2)C1	ZINC000328599989	570179184	/nfs/dbraw/zinc/17/91/84/570179184.db2.gz	VHWFSZDGHRDJLQ-HXUWFJFHSA-N	-1	0	481.530	3.931	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)n1	ZINC000001113649	194028615	/nfs/dbraw/zinc/02/86/15/194028615.db2.gz	FPRDNKFXUXEDKS-HNNXBMFYSA-N	-1	0	460.943	3.954	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)nc(OC)n1	ZINC000001153098	194051613	/nfs/dbraw/zinc/05/16/13/194051613.db2.gz	CSAGEYUGTQGTSP-UHFFFAOYSA-N	-1	0	483.333	3.854	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)nc(OC)n1	ZINC000001153847	194051934	/nfs/dbraw/zinc/05/19/34/194051934.db2.gz	VPIONJSRGMSZPQ-UHFFFAOYSA-N	-1	0	483.333	3.854	50	0		JHAARM
O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000001295773	194082049	/nfs/dbraw/zinc/08/20/49/194082049.db2.gz	HUULPMZFKSWNQA-TXTKFYIRSA-N	-1	0	471.435	3.765	50	0		JHAARM
COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1	ZINC000001778316	194138594	/nfs/dbraw/zinc/13/85/94/194138594.db2.gz	CVJUCNFVDCJWGZ-UHFFFAOYSA-N	-1	0	459.524	3.899	50	0		JHAARM
Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc(=O)c2c1	ZINC000002356763	194160127	/nfs/dbraw/zinc/16/01/27/194160127.db2.gz	ICAJWIZVTKLKGQ-UHFFFAOYSA-N	-1	0	464.503	3.561	50	0		JHAARM
CCOC(=O)[C@@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C	ZINC000002570376	194162069	/nfs/dbraw/zinc/16/20/69/194162069.db2.gz	ZPZRFAPPQBGHPD-INIZCTEOSA-N	-1	0	475.422	3.830	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1Nc1cccc(O)c1)c1ccc2c(c1)OCCO2	ZINC000003283318	194262944	/nfs/dbraw/zinc/26/29/44/194262944.db2.gz	SHRUBDJXFCPMJI-UHFFFAOYSA-N	-1	0	450.476	3.651	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(C)c2)ccc1F	ZINC000003304068	194274149	/nfs/dbraw/zinc/27/41/49/194274149.db2.gz	RHLSOEZOSZGBJU-UHFFFAOYSA-N	-1	0	472.494	3.739	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc2)nc(C)n1	ZINC000003296880	194270847	/nfs/dbraw/zinc/27/08/47/194270847.db2.gz	ZGPZQGRKMHPNPM-UHFFFAOYSA-N	-1	0	482.562	3.625	50	0		JHAARM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O	ZINC000004474587	194390618	/nfs/dbraw/zinc/39/06/18/194390618.db2.gz	WWSWYXNVCBLWNZ-QIZQQNKQSA-N	-1	0	458.473	3.560	50	0	in-man	JHAARM
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C(=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000009712518	194906672	/nfs/dbraw/zinc/90/66/72/194906672.db2.gz	YPLSCWKGNATEAP-LGMDPLHJSA-N	-1	0	493.994	3.542	50	0		JHAARM
CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2cnn(C(C)C)c2n1	ZINC000009949560	195032578	/nfs/dbraw/zinc/03/25/78/195032578.db2.gz	APPCISIVKBCEIE-UHFFFAOYSA-N	-1	0	479.566	3.979	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)ccc1C	ZINC000012605725	195051446	/nfs/dbraw/zinc/05/14/46/195051446.db2.gz	IPSOJIAMKMZRNI-UHFFFAOYSA-N	-1	0	482.558	3.848	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c3c4c(c(=O)oc23)CCC4)O1	ZINC000012890596	195172656	/nfs/dbraw/zinc/17/26/56/195172656.db2.gz	VHTMSGRFJFGNIK-HSZRJFAPSA-N	-1	0	477.513	3.706	50	0	biogenic	JHAARM
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1)C(=O)[O-]	ZINC000012890914	195172777	/nfs/dbraw/zinc/17/27/77/195172777.db2.gz	WZOFYXICHCTAOM-MPMWTEJESA-N	-1	0	456.539	3.869	50	0	biogenic	JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c(C)c1	ZINC000021089280	195274056	/nfs/dbraw/zinc/27/40/56/195274056.db2.gz	YNRINRMOHVDSBC-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)[n-]c1=O	ZINC000021151997	195283286	/nfs/dbraw/zinc/28/32/86/195283286.db2.gz	OJZDBBMSWUYVPE-AWEZNQCLSA-N	-1	0	467.551	3.617	50	0		JHAARM
CCN(C(C)=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000021157496	195285345	/nfs/dbraw/zinc/28/53/45/195285345.db2.gz	PNBIDCYLYHDRLL-UHFFFAOYSA-N	-1	0	491.495	3.954	50	0		JHAARM
C[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000096488353	130105140	/nfs/dbraw/zinc/10/51/40/130105140.db2.gz	QIYNLGAWFBETOO-LGVHXXEASA-N	-1	0	486.937	3.514	50	0		JHAARM
CC(C)C[C@H](NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005023327	519388320	/nfs/dbraw/zinc/38/83/20/519388320.db2.gz	GFHCAHUZQJBAMZ-LEWJYISDSA-N	-1	0	458.580	3.830	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000006144684	519725180	/nfs/dbraw/zinc/72/51/80/519725180.db2.gz	BUBYGSYQNAOIMV-AWEZNQCLSA-N	-1	0	487.559	3.691	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)C1	ZINC000012324122	521294952	/nfs/dbraw/zinc/29/49/52/521294952.db2.gz	IDGPJBALRHZVPP-INIZCTEOSA-N	-1	0	473.576	3.512	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(OC)c(Cl)c2)C1	ZINC000033253869	521303650	/nfs/dbraw/zinc/30/36/50/521303650.db2.gz	YUXOZJGLTVBGCA-HNNXBMFYSA-N	-1	0	496.969	3.627	50	0		JHAARM
CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002133641	521350719	/nfs/dbraw/zinc/35/07/19/521350719.db2.gz	ZIVZJOWPSQQQRQ-RCDICMHDSA-N	-1	0	478.501	3.512	50	0	biogenic	JHAARM
CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)cc1	ZINC000002851487	521515974	/nfs/dbraw/zinc/51/59/74/521515974.db2.gz	PJAWQNCQVHSVPK-UHFFFAOYSA-N	-1	0	483.571	3.791	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C)cc2)cc1	ZINC000040161418	521529991	/nfs/dbraw/zinc/52/99/91/521529991.db2.gz	KMZVSPGUFOUZFW-UHFFFAOYSA-N	-1	0	452.532	3.903	50	0		JHAARM
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2s1	ZINC000033298904	521694544	/nfs/dbraw/zinc/69/45/44/521694544.db2.gz	JFUQQCSXWVTLKD-UHFFFAOYSA-N	-1	0	467.413	3.715	50	0		JHAARM
COC(=O)c1c(C)n(S(=O)(=O)c2cccs2)c2ccc([N-]S(=O)(=O)c3cccs3)cc21	ZINC000006142910	521756029	/nfs/dbraw/zinc/75/60/29/521756029.db2.gz	QCVSBLPDCQYKDS-UHFFFAOYSA-N	-1	0	496.613	3.897	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)C1CCCC1)CC2	ZINC000012246711	521793047	/nfs/dbraw/zinc/79/30/47/521793047.db2.gz	PQNNDCFMOGEMEI-UHFFFAOYSA-N	-1	0	462.593	3.719	50	0		JHAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc1	ZINC000033306474	522134230	/nfs/dbraw/zinc/13/42/30/522134230.db2.gz	UYKGJWZJPHBNBB-CSKARUKUSA-N	-1	0	461.521	3.761	50	0		JHAARM
COc1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)cs2)c(C(=O)[O-])cc1OC	ZINC000002184336	522721343	/nfs/dbraw/zinc/72/13/43/522721343.db2.gz	RBYXQMWFNALFIN-UHFFFAOYSA-N	-1	0	476.532	3.541	50	0		JHAARM
COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)cc(OC)c1OC	ZINC000020216022	522951101	/nfs/dbraw/zinc/95/11/01/522951101.db2.gz	GQNFXFBJSJGNCY-HXUWFJFHSA-N	-1	0	466.563	3.978	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])c1C	ZINC000033253778	523632032	/nfs/dbraw/zinc/63/20/32/523632032.db2.gz	KZDYMOXLJCIUIM-UHFFFAOYSA-N	-1	0	474.558	3.837	50	0		JHAARM
Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)[N-]S(=O)(=O)Oc3ccc(F)cc3)cc2)n1	ZINC000012446096	524203275	/nfs/dbraw/zinc/20/32/75/524203275.db2.gz	JABJRNQCHWTDMV-UHFFFAOYSA-N	-1	0	458.393	3.784	50	0		JHAARM
COc1ccccc1OCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)c1	ZINC000002880180	524666743	/nfs/dbraw/zinc/66/67/43/524666743.db2.gz	CWHVTXCCFAXZRW-UHFFFAOYSA-N	-1	0	490.468	3.576	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Sc3ccc(C(=O)NC4CC4)cn3)cc2)c1	ZINC000033138623	524880023	/nfs/dbraw/zinc/88/00/23/524880023.db2.gz	QZGCWCRTEGPQFJ-UHFFFAOYSA-N	-1	0	485.587	3.943	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCN(c2ccccc2)CC1	ZINC000006183603	525002682	/nfs/dbraw/zinc/00/26/82/525002682.db2.gz	HOTSXRJWSNCQKT-UHFFFAOYSA-N	-1	0	453.539	3.897	50	0		JHAARM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000008815741	525048530	/nfs/dbraw/zinc/04/85/30/525048530.db2.gz	GPAUNLLZYZCXCT-HYARGMPZSA-N	-1	0	485.496	3.804	50	0		JHAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1OC	ZINC000023157130	525213623	/nfs/dbraw/zinc/21/36/23/525213623.db2.gz	GQMFTJYCXPQRGV-NRFANRHFSA-N	-1	0	483.569	3.873	50	0		JHAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1C(=O)NCc1ccc(OC(C)C)cc1	ZINC000049003434	525472680	/nfs/dbraw/zinc/47/26/80/525472680.db2.gz	TUMDWANWRXDIHY-UHFFFAOYSA-N	-1	0	462.959	3.890	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[n-]c2=O)cc1C	ZINC000008604675	525631385	/nfs/dbraw/zinc/63/13/85/525631385.db2.gz	CZYYEKVJENQQBN-UHFFFAOYSA-N	-1	0	497.520	3.969	50	0		JHAARM
CSC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-]	ZINC000013552395	525645605	/nfs/dbraw/zinc/64/56/05/525645605.db2.gz	CQKPCNRPAHBYNS-GOSISDBHSA-N	-1	0	459.564	3.604	50	0		JHAARM
COc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)c2c1	ZINC000008606764	525695778	/nfs/dbraw/zinc/69/57/78/525695778.db2.gz	RYIQZYRUBVMDHG-UHFFFAOYSA-N	-1	0	452.492	3.522	50	0		JHAARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000019923717	526317959	/nfs/dbraw/zinc/31/79/59/526317959.db2.gz	LXLJYIUZMHGZAJ-UXHICEINSA-N	-1	0	467.953	3.908	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000033253060	526352930	/nfs/dbraw/zinc/35/29/30/526352930.db2.gz	XWLYIWIXNQLZDL-UHFFFAOYSA-N	-1	0	491.491	3.930	50	0		JHAARM
O=C([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1	ZINC000033254034	526373788	/nfs/dbraw/zinc/37/37/88/526373788.db2.gz	VDSGUNGZSZGBLS-UHFFFAOYSA-N	-1	0	479.549	3.919	50	0		JHAARM
[O-]c1c([C@H](c2ccc(Cl)cc2Cl)N2CCN(CCO)CC2)sc2nc(-c3ccco3)nn12	ZINC000022795441	527552635	/nfs/dbraw/zinc/55/26/35/527552635.db2.gz	NYTGUIRZZJBETG-KRWDZBQOSA-N	-1	0	494.404	3.763	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1	ZINC000002125123	527648112	/nfs/dbraw/zinc/64/81/12/527648112.db2.gz	KLTSICJAEVNCFY-HXUWFJFHSA-N	-1	0	455.894	3.516	50	0	biogenic	JHAARM
Cc1cccc([N-]S(=O)(=O)c2cc(OCC(=O)Nc3nncs3)c(C)cc2Cl)c1	ZINC000000645349	553726380	/nfs/dbraw/zinc/72/63/80/553726380.db2.gz	NKJXEAJPNHPGFW-UHFFFAOYSA-N	-1	0	452.945	3.627	50	0		JHAARM
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000651653	553732947	/nfs/dbraw/zinc/73/29/47/553732947.db2.gz	XHECEPWEIJKYSS-GFCCVEGCSA-N	-1	0	467.334	3.990	50	0		JHAARM
CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1OC	ZINC000000710181	553766134	/nfs/dbraw/zinc/76/61/34/553766134.db2.gz	UPMDDWHKJDCFRC-NTUHNPAUSA-N	-1	0	482.562	3.953	50	0		JHAARM
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(C(C)(C)C)c1	ZINC000000942849	553877878	/nfs/dbraw/zinc/87/78/78/553877878.db2.gz	WECBXFPJZMJERQ-UHFFFAOYSA-N	-1	0	454.552	3.901	50	0	aggregator	JHAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-]	ZINC000002115521	554053084	/nfs/dbraw/zinc/05/30/84/554053084.db2.gz	KPBNLWRXQVBBEI-DMZKTXOQSA-N	-1	0	498.576	3.728	50	0	biogenic	JHAARM
O=C([O-])C12C[C@H]3C[C@@H](C1)CC(n1ncc(NCc4ccc5c(c4)OCO5)c(Cl)c1=O)(C3)C2	ZINC000002229244	554104592	/nfs/dbraw/zinc/10/45/92/554104592.db2.gz	AFAMMQVMYCWOBJ-CBKSTNSXSA-N	-1	0	457.914	3.618	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(OC)n1	ZINC000002709578	554296971	/nfs/dbraw/zinc/29/69/71/554296971.db2.gz	OCSPLFBDYYGMLM-UHFFFAOYSA-N	-1	0	482.440	3.566	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)n1	ZINC000002774126	554338510	/nfs/dbraw/zinc/33/85/10/554338510.db2.gz	SAMYNZKNYCXMDI-UHFFFAOYSA-N	-1	0	460.943	3.874	50	0		JHAARM
CCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002937671	554412281	/nfs/dbraw/zinc/41/22/81/554412281.db2.gz	GESWPJZIMCWOKM-UHFFFAOYSA-N	-1	0	492.423	3.923	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000005706750	554492856	/nfs/dbraw/zinc/49/28/56/554492856.db2.gz	NRTMQKMHFPBQNP-JWQCQUIFSA-N	-1	0	485.540	3.818	50	0		JHAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1C(=O)OC	ZINC000006088714	554503887	/nfs/dbraw/zinc/50/38/87/554503887.db2.gz	YMXANPSQLWILGO-UHFFFAOYSA-N	-1	0	492.893	3.559	50	0		JHAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc2C1	ZINC000006144229	554509942	/nfs/dbraw/zinc/50/99/42/554509942.db2.gz	SOGLZKITURCYTA-KRWDZBQOSA-N	-1	0	482.533	3.757	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)nnc1-c1ccccc1	ZINC000008432816	554586510	/nfs/dbraw/zinc/58/65/10/554586510.db2.gz	MJLILFOYULMGTL-UHFFFAOYSA-N	-1	0	494.602	3.892	50	0		JHAARM
CCc1ccc([C@H](CC(=O)N2CCN(c3ccccc3F)CC2)[N-]C(=O)C(F)(F)F)cc1	ZINC000008857230	554753636	/nfs/dbraw/zinc/75/36/36/554753636.db2.gz	KMUKCPNHVCIMFD-IBGZPJMESA-N	-1	0	451.464	3.847	50	0		JHAARM
Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)NCCC(=O)[O-])c12)OC(C)(C)CC3	ZINC000008878223	554773810	/nfs/dbraw/zinc/77/38/10/554773810.db2.gz	HSYYPKHCKMQPFN-UHFFFAOYSA-N	-1	0	479.529	3.766	50	0	biogenic	JHAARM
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000009187498	554959921	/nfs/dbraw/zinc/95/99/21/554959921.db2.gz	YOPZWDPQAUMMDZ-VXKWHMMOSA-N	-1	0	463.534	3.642	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cncn3-c3ccccc3)ccc2OC)cc1	ZINC000009202186	554972786	/nfs/dbraw/zinc/97/27/86/554972786.db2.gz	LIUXQMWDCYJCOL-UHFFFAOYSA-N	-1	0	478.530	3.943	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000009203537	554974080	/nfs/dbraw/zinc/97/40/80/554974080.db2.gz	HVSMRPMHKZXZIJ-UHFFFAOYSA-N	-1	0	465.531	3.875	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)s1	ZINC000009274210	555046494	/nfs/dbraw/zinc/04/64/94/555046494.db2.gz	ZZSQZYLNJOUHRR-UHFFFAOYSA-N	-1	0	496.339	3.642	50	0		JHAARM
O=C([O-])CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(I)cc2)C1=O	ZINC000009323274	555096556	/nfs/dbraw/zinc/09/65/56/555096556.db2.gz	DYCSVDZHEZKVFV-CXUHLZMHSA-N	-1	0	495.294	3.991	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000009435145	555205878	/nfs/dbraw/zinc/20/58/78/555205878.db2.gz	HQTQJHFXDAVBBO-UHFFFAOYSA-N	-1	0	467.396	3.833	50	0		JHAARM
COc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2cccc(Cl)c2)c(OC)c1	ZINC000009490634	555266235	/nfs/dbraw/zinc/26/62/35/555266235.db2.gz	IJEQXKCBWFQNLD-UHFFFAOYSA-N	-1	0	471.926	3.510	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1	ZINC000013138917	555335905	/nfs/dbraw/zinc/33/59/05/555335905.db2.gz	XLTIEEXEARRRBX-UHFFFAOYSA-N	-1	0	450.472	3.855	50	0		JHAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccccc2)c(C(=O)OC)c1C	ZINC000009641731	555352809	/nfs/dbraw/zinc/35/28/09/555352809.db2.gz	LKUBCYZHSROVKT-UHFFFAOYSA-N	-1	0	488.543	3.683	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc2)c1C	ZINC000009572563	555369599	/nfs/dbraw/zinc/36/95/99/555369599.db2.gz	SCHBOFOFXNXUHY-UHFFFAOYSA-N	-1	0	471.535	3.823	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000013249508	555370328	/nfs/dbraw/zinc/37/03/28/555370328.db2.gz	FVQZWEDGULQVGS-GJZGRUSLSA-N	-1	0	464.927	3.755	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)c1	ZINC000009670159	555386362	/nfs/dbraw/zinc/38/63/62/555386362.db2.gz	RGYVSGMDUOPLDV-UHFFFAOYSA-N	-1	0	487.965	3.860	50	0		JHAARM
Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)c(C)n1C	ZINC000009684779	555413672	/nfs/dbraw/zinc/41/36/72/555413672.db2.gz	ADFPYQJEIYXTPO-UHFFFAOYSA-N	-1	0	454.390	3.750	50	0		JHAARM
O=C([O-])[C@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@H]2c3cc(Br)ccc3C(=O)O[C@H]12	ZINC000013574875	555513383	/nfs/dbraw/zinc/51/33/83/555513383.db2.gz	OREZDCBPAATILW-DZKIICNBSA-N	-1	0	490.356	3.891	50	0		JHAARM
COc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c(OC)c1	ZINC000009828536	555526128	/nfs/dbraw/zinc/52/61/28/555526128.db2.gz	QHKDZWWMHSZHFI-UHFFFAOYSA-N	-1	0	467.956	3.796	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cs2)cc1	ZINC000009828610	555526507	/nfs/dbraw/zinc/52/65/07/555526507.db2.gz	LWQOPIIRHYELSB-UHFFFAOYSA-N	-1	0	491.038	3.797	50	0		JHAARM
COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)N[C@@H](CCSC)C(=O)[O-])CC2	ZINC000013609176	555532667	/nfs/dbraw/zinc/53/26/67/555532667.db2.gz	LFPYLMHPWKBJRP-GHTZIAJQSA-N	-1	0	462.543	3.706	50	0		JHAARM
CC1(C)Cc2c(sc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c2C(=O)[O-])CO1	ZINC000013609727	555533198	/nfs/dbraw/zinc/53/31/98/555533198.db2.gz	IHNWXZYQLKWNDD-UHFFFAOYSA-N	-1	0	456.564	3.717	50	0		JHAARM
O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1)c1cccs1	ZINC000009835717	555540766	/nfs/dbraw/zinc/54/07/66/555540766.db2.gz	JNSNCCQNKNVOMY-UHFFFAOYSA-N	-1	0	479.543	3.844	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N=c4[nH]c5ccccc5[nH]4)cc3s2)cc1	ZINC000013689926	555583489	/nfs/dbraw/zinc/58/34/89/555583489.db2.gz	FGHAXUQVDRCVEB-UHFFFAOYSA-N	-1	0	479.543	3.656	50	0		JHAARM
C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(-n2cncn2)cc1	ZINC000010055086	555607802	/nfs/dbraw/zinc/60/78/02/555607802.db2.gz	GTILXEZYUIHQFD-HNNXBMFYSA-N	-1	0	453.549	3.621	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1	ZINC000020247704	555742117	/nfs/dbraw/zinc/74/21/17/555742117.db2.gz	KPXKCMGASMXHIZ-UHFFFAOYSA-N	-1	0	482.967	3.959	50	0		JHAARM
CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000014361417	555799611	/nfs/dbraw/zinc/79/96/11/555799611.db2.gz	LDEWEAVSUFAMKA-HNNXBMFYSA-N	-1	0	491.422	3.523	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1	ZINC000020560514	555811273	/nfs/dbraw/zinc/81/12/73/555811273.db2.gz	RDDSVKHDMDNQLA-UHFFFAOYSA-N	-1	0	479.411	3.837	50	0		JHAARM
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1	ZINC000011858314	555838250	/nfs/dbraw/zinc/83/82/50/555838250.db2.gz	IOVMXWIMZHWAOS-UHFFFAOYSA-N	-1	0	472.544	3.655	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(Cc2ccccc2)CC1	ZINC000020644406	555845974	/nfs/dbraw/zinc/84/59/74/555845974.db2.gz	HUHIYMIPBNWFHJ-UHFFFAOYSA-N	-1	0	494.617	3.693	50	0		JHAARM
COc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OCC(N)=O	ZINC000015082362	555873315	/nfs/dbraw/zinc/87/33/15/555873315.db2.gz	IKOIQSDFBUKUAW-AWEZNQCLSA-N	-1	0	470.478	3.599	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc3c(c2)NC(=O)CCS3)c1	ZINC000022196730	555884163	/nfs/dbraw/zinc/88/41/63/555884163.db2.gz	YCHXRDMMRZGGBY-UHFFFAOYSA-N	-1	0	499.570	3.888	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@H](C)C(=O)N3CCCC3)nc2c1	ZINC000015221334	555885174	/nfs/dbraw/zinc/88/51/74/555885174.db2.gz	PLSFOLMLPFIWOB-CQSZACIVSA-N	-1	0	461.565	3.740	50	0		JHAARM
CC[C@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3cccc(C)c3)c2C(=O)OC)C1	ZINC000012151606	555924544	/nfs/dbraw/zinc/92/45/44/555924544.db2.gz	LOHZTFLZWNBKMN-AWEZNQCLSA-N	-1	0	450.582	3.575	50	0		JHAARM
CC[C@H](C)[C@@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000012322861	555952780	/nfs/dbraw/zinc/95/27/80/555952780.db2.gz	FSYSBSSTDIDPFK-YVEFUNNKSA-N	-1	0	468.000	3.887	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(CC)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341897	555953855	/nfs/dbraw/zinc/95/38/55/555953855.db2.gz	AVEBRCROSVAQBY-FQEVSTJZSA-N	-1	0	465.579	3.762	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1	ZINC000022851794	555958497	/nfs/dbraw/zinc/95/84/97/555958497.db2.gz	LOJJSEWXCFAWTA-KRWDZBQOSA-N	-1	0	453.524	3.620	50	0		JHAARM
COC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1	ZINC000022852113	555959191	/nfs/dbraw/zinc/95/91/91/555959191.db2.gz	IVVIZTLIFSWTDM-QGZVFWFLSA-N	-1	0	456.499	3.870	50	0		JHAARM
Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1	ZINC000022852387	555959449	/nfs/dbraw/zinc/95/94/49/555959449.db2.gz	APDCTJQXQRNVEE-SFHVURJKSA-N	-1	0	452.536	3.993	50	0		JHAARM
COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1	ZINC000012382131	555970872	/nfs/dbraw/zinc/97/08/72/555970872.db2.gz	YBNAHRUZFYNKOQ-UMSHPIDHSA-N	-1	0	489.366	3.844	50	0		JHAARM
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c2=O)cc1	ZINC000023119051	556012578	/nfs/dbraw/zinc/01/25/78/556012578.db2.gz	CWQKPNIPENLXFP-UHFFFAOYSA-N	-1	0	477.995	3.858	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3ccc4c(c3)OCCO4)ccc2Cl)cc1	ZINC000012552440	556035257	/nfs/dbraw/zinc/03/52/57/556035257.db2.gz	RLPIMHIVURTYEK-UHFFFAOYSA-N	-1	0	488.949	3.851	50	0		JHAARM
O=S(=O)([N-]c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O)c1cccnc1Cl	ZINC000012556934	556043906	/nfs/dbraw/zinc/04/39/06/556043906.db2.gz	XIAGBVGZNHRRIU-UHFFFAOYSA-N	-1	0	474.347	3.696	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000015919298	556067004	/nfs/dbraw/zinc/06/70/04/556067004.db2.gz	LXEWKVNWRYYKDL-NHCUHLMSSA-N	-1	0	465.550	3.913	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1Br	ZINC000012583719	556081148	/nfs/dbraw/zinc/08/11/48/556081148.db2.gz	JFPDXXFAYHSXDW-UHFFFAOYSA-N	-1	0	465.119	3.719	50	0		JHAARM
CCN1C[C@H](CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)Oc2ccccc21	ZINC000024276112	556128174	/nfs/dbraw/zinc/12/81/74/556128174.db2.gz	WJYZQXHGMZYUSM-IBGZPJMESA-N	-1	0	471.604	3.908	50	0		JHAARM
O=C([O-])c1sccc1S(=O)(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000012948136	556158660	/nfs/dbraw/zinc/15/86/60/556158660.db2.gz	SOAGPARDVAYJBS-UHFFFAOYSA-N	-1	0	457.573	3.783	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-]	ZINC000012975657	556167864	/nfs/dbraw/zinc/16/78/64/556167864.db2.gz	KENDMSXXEZNSEU-UHFFFAOYSA-N	-1	0	474.922	3.548	50	0		JHAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2ccc(-n3ccc(C)n3)nn2)cc1	ZINC000013010048	556201847	/nfs/dbraw/zinc/20/18/47/556201847.db2.gz	GNDHFALYDJCTHT-UHFFFAOYSA-N	-1	0	450.524	3.832	50	0		JHAARM
Cc1cc(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc(C)c1C	ZINC000025784796	556236382	/nfs/dbraw/zinc/23/63/82/556236382.db2.gz	LGGWTRLXVFYJPW-UHFFFAOYSA-N	-1	0	472.636	3.738	50	0		JHAARM
CCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)no2)cc1	ZINC000027581262	556300190	/nfs/dbraw/zinc/30/01/90/556300190.db2.gz	XUGCUZCJKJKFBA-UHFFFAOYSA-N	-1	0	465.491	3.583	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1	ZINC000029867968	556359554	/nfs/dbraw/zinc/35/95/54/556359554.db2.gz	YSORKKQOGRKPJX-KRWDZBQOSA-N	-1	0	462.543	3.739	50	0		JHAARM
COc1c(C)cnc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c1C	ZINC000031810035	556406207	/nfs/dbraw/zinc/40/62/07/556406207.db2.gz	CJPKKFDFBDOGIK-OAQYLSRUSA-N	-1	0	487.398	3.894	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ncc(C)s3)ccc2OC)cc1	ZINC000032926234	556543298	/nfs/dbraw/zinc/54/32/98/556543298.db2.gz	GVINJLCWEBFOAW-UHFFFAOYSA-N	-1	0	475.548	3.690	50	0		JHAARM
CCOc1ccc(-n2c3nc(SCC(=O)N(CC)CC)[n-]c(=O)c3sc2=S)cc1	ZINC000032948223	556563140	/nfs/dbraw/zinc/56/31/40/556563140.db2.gz	HARLHNHNSPKUNX-UHFFFAOYSA-N	-1	0	450.611	3.864	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3C(=O)[O-])CC2)cc1	ZINC000032961580	556577984	/nfs/dbraw/zinc/57/79/84/556577984.db2.gz	PWLANPAJEICERC-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000032961659	556578706	/nfs/dbraw/zinc/57/87/06/556578706.db2.gz	RHTXOQQLMYWFNE-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000001123866	562919769	/nfs/dbraw/zinc/91/97/69/562919769.db2.gz	ACWYHAKFRZJNKM-SFTDATJTSA-N	-1	0	463.534	3.689	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000032961955	569602687	/nfs/dbraw/zinc/60/26/87/569602687.db2.gz	TYWRWSSFGLJLMS-UHFFFAOYSA-N	-1	0	491.491	3.930	50	0		JHAARM
Cc1cccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000032999873	569613930	/nfs/dbraw/zinc/61/39/30/569613930.db2.gz	FQPQWFAPKNPHBK-UHFFFAOYSA-N	-1	0	476.605	3.563	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-]	ZINC000033007039	569615160	/nfs/dbraw/zinc/61/51/60/569615160.db2.gz	QOHOTLXZSAKMEW-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1	ZINC000064557819	569618277	/nfs/dbraw/zinc/61/82/77/569618277.db2.gz	KKHDJIVCSADPFD-NRFANRHFSA-N	-1	0	479.510	3.813	50	0		JHAARM
CCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1	ZINC000065074574	569657176	/nfs/dbraw/zinc/65/71/76/569657176.db2.gz	YXHMEKLREBHKLO-UHFFFAOYSA-N	-1	0	471.535	3.832	50	0		JHAARM
CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)c1	ZINC000034765150	569658237	/nfs/dbraw/zinc/65/82/37/569658237.db2.gz	XLVSSPBGXOSYHD-QGZVFWFLSA-N	-1	0	450.539	3.722	50	0		JHAARM
COc1ccccc1CCNC(=O)CCc1nnc(-c2ccc(OCC3CCC3)cc2)[n-]c1=O	ZINC000034764143	569658260	/nfs/dbraw/zinc/65/82/60/569658260.db2.gz	OADLJJNSAIJTCA-UHFFFAOYSA-N	-1	0	462.550	3.723	50	0		JHAARM
COc1ccc(CCNC(=O)CCc2nnc(-c3ccc(OCC4CCC4)cc3)[n-]c2=O)cc1OC	ZINC000034763998	569658298	/nfs/dbraw/zinc/65/82/98/569658298.db2.gz	GFRZQEGHLJFNPC-UHFFFAOYSA-N	-1	0	492.576	3.732	50	0		JHAARM
COc1cccc(COc2ccc(-c3nnc(CCC(=O)N4CCCCC4)c(=O)[n-]3)cc2OC)c1	ZINC000034766728	569658620	/nfs/dbraw/zinc/65/86/20/569658620.db2.gz	VKLCAAGNUDNKMA-UHFFFAOYSA-N	-1	0	478.549	3.786	50	0		JHAARM
COc1ccc(CCN(C)C(=O)CCc2nnc(-c3ccc(C(F)(F)F)cc3)[n-]c2=O)cc1OC	ZINC000034768128	569658907	/nfs/dbraw/zinc/65/89/07/569658907.db2.gz	WYBBYYKRYDEEGH-UHFFFAOYSA-N	-1	0	490.482	3.914	50	0		JHAARM
COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c(OC)c1	ZINC000065097478	569661110	/nfs/dbraw/zinc/66/11/10/569661110.db2.gz	NWYAKBHIAKACBF-UHFFFAOYSA-N	-1	0	498.970	3.506	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1Cl	ZINC000065098995	569661923	/nfs/dbraw/zinc/66/19/23/569661923.db2.gz	ZFKUTVMNTDOJSP-UHFFFAOYSA-N	-1	0	482.971	3.887	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1	ZINC000065098992	569662034	/nfs/dbraw/zinc/66/20/34/569662034.db2.gz	NVPFHCMIYFULGQ-UHFFFAOYSA-N	-1	0	482.971	3.887	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137567	569668589	/nfs/dbraw/zinc/66/85/89/569668589.db2.gz	TXYXGJHSIPISBT-UHFFFAOYSA-N	-1	0	495.026	3.692	50	0		JHAARM
CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1	ZINC000035350986	569681715	/nfs/dbraw/zinc/68/17/15/569681715.db2.gz	IBDSGYJEBODPHZ-UHFFFAOYSA-N	-1	0	468.487	3.615	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000035377912	569685645	/nfs/dbraw/zinc/68/56/45/569685645.db2.gz	MNLPOCZYNQYNCN-IBGZPJMESA-N	-1	0	483.550	3.729	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cc(OC)cc(OC)c1	ZINC000035377923	569685682	/nfs/dbraw/zinc/68/56/82/569685682.db2.gz	OZKGMJHULXYJPZ-LJQANCHMSA-N	-1	0	483.550	3.729	50	0		JHAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@@H]1c1ccco1	ZINC000035683993	569706680	/nfs/dbraw/zinc/70/66/80/569706680.db2.gz	ZWBHNKWSMHRHMG-HXUWFJFHSA-N	-1	0	467.503	3.623	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cccc(C)c1	ZINC000085653434	569714226	/nfs/dbraw/zinc/71/42/26/569714226.db2.gz	USRGASIACPUPKU-UHFFFAOYSA-N	-1	0	466.519	3.622	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccc(OC)cc3)ccc2OC)cc1	ZINC000089453576	569718359	/nfs/dbraw/zinc/71/83/59/569718359.db2.gz	PSLQACKBBVRDHE-UHFFFAOYSA-N	-1	0	472.519	3.531	50	0		JHAARM
O=C(C[C@H](c1cccnc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096114366	569733383	/nfs/dbraw/zinc/73/33/83/569733383.db2.gz	FXHJUNNPAAJHAW-LJQANCHMSA-N	-1	0	472.497	3.647	50	0	biogenic	JHAARM
O=c1c(C2=C(N3CCOCC3)C(=O)N(C3CCCCC3)C2=O)c(-c2ccccc2)[n-]n1-c1ccccc1	ZINC000035960762	569736581	/nfs/dbraw/zinc/73/65/81/569736581.db2.gz	IOQAJERFAMAWGZ-UHFFFAOYSA-N	-1	0	498.583	3.990	50	0		JHAARM
COc1ccccc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000096582305	569741922	/nfs/dbraw/zinc/74/19/22/569741922.db2.gz	FKDZKMRFMQEWLE-UHFFFAOYSA-N	-1	0	458.565	3.634	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1C	ZINC000101086218	569781900	/nfs/dbraw/zinc/78/19/00/569781900.db2.gz	FSZGESCCVBWUMR-MSOLQXFVSA-N	-1	0	481.310	3.609	50	0		JHAARM
CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Br)cc4)c(=O)c2=3)cc1	ZINC000101166556	569785626	/nfs/dbraw/zinc/78/56/26/569785626.db2.gz	MASLWBOKCGOADB-OALUTQOASA-N	-1	0	470.327	3.504	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccc3[nH]cc4c(=O)n(-c5ccc(C)c(C)c5)nc-4c3c2)CC1	ZINC000101282148	569789016	/nfs/dbraw/zinc/78/90/16/569789016.db2.gz	FHCKBKQIOQSBQB-UHFFFAOYSA-N	-1	0	472.545	3.851	50	0		JHAARM
COC(=O)c1cccc(NC(=O)c2ccc3[n-]cc4c(=O)n(-c5ccc(F)cc5)nc-4c3c2)c1	ZINC000101828719	569805464	/nfs/dbraw/zinc/80/54/64/569805464.db2.gz	JGHNHVCJBCOBDR-UHFFFAOYSA-N	-1	0	456.433	3.997	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Cl)cc2)cc1OC	ZINC000101836234	569805897	/nfs/dbraw/zinc/80/58/97/569805897.db2.gz	QFBONPOJXSQTBT-KRWDZBQOSA-N	-1	0	454.870	3.789	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102729165	569817934	/nfs/dbraw/zinc/81/79/34/569817934.db2.gz	XIPJFVLQFHAEMC-CQOQZXRMSA-N	-1	0	488.496	3.762	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102732839	569818485	/nfs/dbraw/zinc/81/84/85/569818485.db2.gz	MGSRZZZNMSSJNF-CQOQZXRMSA-N	-1	0	488.496	3.762	50	0		JHAARM
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O	ZINC000102768115	569823326	/nfs/dbraw/zinc/82/33/26/569823326.db2.gz	NMPBEPIWKKUHAG-RJGXRXQPSA-N	-1	0	458.470	3.835	50	0		JHAARM
O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[n-]c1=O)N1CCN(c2ccccc2)CC1	ZINC000040426178	569828024	/nfs/dbraw/zinc/82/80/24/569828024.db2.gz	IOCZYHYUKIHCIT-UHFFFAOYSA-N	-1	0	457.456	3.544	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1	ZINC000040450508	569828498	/nfs/dbraw/zinc/82/84/98/569828498.db2.gz	UPLXLRWGRXSMTD-UHFFFAOYSA-N	-1	0	465.369	3.866	50	0		JHAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1	ZINC000040450451	569828511	/nfs/dbraw/zinc/82/85/11/569828511.db2.gz	UMMUEGAYRWBPDL-UHFFFAOYSA-N	-1	0	493.379	3.726	50	0		JHAARM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2O)[C@@H]2OC(=O)c3ccccc32)cc1	ZINC000198724986	569873935	/nfs/dbraw/zinc/87/39/35/569873935.db2.gz	YPGYRVIUEKSZTQ-ZJSXRUAMSA-N	-1	0	459.454	3.709	50	0		JHAARM
CC[C@](O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-])C(C)C	ZINC000247658449	570068638	/nfs/dbraw/zinc/06/86/38/570068638.db2.gz	QYIURQHUQVHWLF-DVZSUYBRSA-N	-1	0	482.687	3.900	50	0	biogenic	JHAARM
COc1cc([C@@H]2CC(c3c(=O)cc(C)oc3[O-])=Nc3c(C(=O)Nc4ccccc4)cnn32)ccc1O	ZINC000252537448	570083240	/nfs/dbraw/zinc/08/32/40/570083240.db2.gz	LERMQBMNBZKQFK-IBGZPJMESA-N	-1	0	486.484	3.931	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000253488148	570099987	/nfs/dbraw/zinc/09/99/87/570099987.db2.gz	YDBSSKJJBVKTAB-MFHCWRBVSA-N	-1	0	460.575	3.859	50	0		JHAARM
CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(OC(C)=O)C[C@H](OC(C)=O)CC[C@]4(C(=O)[O-])[C@H]3CC[C@@]12C	ZINC000257350016	570153076	/nfs/dbraw/zinc/15/30/76/570153076.db2.gz	UBMMRXIZAPNXIB-JDOTZJKTSA-N	-1	0	478.582	3.891	50	0		JHAARM
COc1ccc([C@H](CC(=O)NCCCc2ccccc2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585869	570171383	/nfs/dbraw/zinc/17/13/83/570171383.db2.gz	NKBCSZXMYLAVHU-FQEVSTJZSA-N	-1	0	481.545	3.951	50	0	biogenic	JHAARM
CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000299803789	570177629	/nfs/dbraw/zinc/17/76/29/570177629.db2.gz	CNOWTDBRYMZADN-QFQZRAANSA-N	-1	0	456.601	3.966	50	0		JHAARM
O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1	ZINC000000939607	193986860	/nfs/dbraw/zinc/98/68/60/193986860.db2.gz	FSJAMTZSOTVYMB-INIZCTEOSA-N	-1	0	460.770	3.726	50	0		JHAARM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1c(-c2ccccc2)c(C(F)(F)F)nn1C	ZINC000001032663	194006179	/nfs/dbraw/zinc/00/61/79/194006179.db2.gz	BVDGVNLALOBQMF-UHFFFAOYSA-N	-1	0	457.430	3.903	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(C)c3C)cc2)n1	ZINC000001128465	194037803	/nfs/dbraw/zinc/03/78/03/194037803.db2.gz	GEWNGQHCHFCZFX-SFHVURJKSA-N	-1	0	454.552	3.917	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)c1	ZINC000001166160	194057764	/nfs/dbraw/zinc/05/77/64/194057764.db2.gz	GNYACMWYPGYWAC-UHFFFAOYSA-N	-1	0	456.520	3.831	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)n1	ZINC000001228431	194076575	/nfs/dbraw/zinc/07/65/75/194076575.db2.gz	ZVPAZKNCWWQWCT-UHFFFAOYSA-N	-1	0	467.334	3.910	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)nc(C)n1	ZINC000001218678	194073436	/nfs/dbraw/zinc/07/34/36/194073436.db2.gz	GHIQRWKSGFTMOL-CQSZACIVSA-N	-1	0	460.943	3.954	50	0		JHAARM
CCOc1ccccc1NC(=O)[C@@H](CC)Sc1nc2ccsc2c(=O)n1CCC(=O)[O-]	ZINC000002932565	194173669	/nfs/dbraw/zinc/17/36/69/194173669.db2.gz	QKHGXYVKQCHFSV-MRXNPFEDSA-N	-1	0	461.565	3.841	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCCC(=O)NCCc3ccccc3)c(=O)c2cc1OCC	ZINC000003010273	194203585	/nfs/dbraw/zinc/20/35/85/194203585.db2.gz	BQRXMYDDOKEKKG-UHFFFAOYSA-N	-1	0	455.580	3.996	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1C	ZINC000003215280	194240329	/nfs/dbraw/zinc/24/03/29/194240329.db2.gz	VKMBJSKPUDSSQU-UHFFFAOYSA-N	-1	0	483.565	3.906	50	0		JHAARM
O=C([O-])C[C@H](NS(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1Cl	ZINC000003324458	194282210	/nfs/dbraw/zinc/28/22/10/194282210.db2.gz	JLGOKZXHLCJZAT-ZDUSSCGKSA-N	-1	0	454.676	3.875	50	0		JHAARM
CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(C)cc1	ZINC000003765149	194359865	/nfs/dbraw/zinc/35/98/65/194359865.db2.gz	ZNRCZNDKXUBPID-UHFFFAOYSA-N	-1	0	468.531	3.926	50	0		JHAARM
O=S(=O)([N-]c1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(F)(F)F)c1ccccc1	ZINC000012605600	195051008	/nfs/dbraw/zinc/05/10/08/195051008.db2.gz	RTGCTKBHAKDLDZ-UHFFFAOYSA-N	-1	0	478.514	3.603	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000012620629	195056577	/nfs/dbraw/zinc/05/65/77/195056577.db2.gz	KSFDBKDTUOVHMQ-OAHLLOKOSA-N	-1	0	474.970	3.864	50	0		JHAARM
COc1ccc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)c(OC)c1OC	ZINC000020724806	195207010	/nfs/dbraw/zinc/20/70/10/195207010.db2.gz	CHFYTPVTZJASBP-OAQYLSRUSA-N	-1	0	473.957	3.791	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@@H](CC(=O)[O-])N(S(=O)(=O)c1cccc(Cl)c1)CC2	ZINC000021046214	195271662	/nfs/dbraw/zinc/27/16/62/195271662.db2.gz	CZIPPGVCSVUMQQ-GOSISDBHSA-N	-1	0	453.944	3.900	50	0		JHAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(OC)cc3)[C@H]2C(=O)[O-])cc1	ZINC000096318980	130064146	/nfs/dbraw/zinc/06/41/46/130064146.db2.gz	QBIOBPVFAVEUJK-ULQDDVLXSA-N	-1	0	457.529	3.911	50	0		JHAARM
CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccccc2OCc2cn3cc(C)ccc3n2)c1	ZINC000089668952	518460361	/nfs/dbraw/zinc/46/03/61/518460361.db2.gz	QDVUWWFUADXHSN-UHFFFAOYSA-N	-1	0	463.515	3.543	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)NCCCC(=O)[O-])c3c(-c4ccccc4)cc(=O)oc23)O1	ZINC000008877234	520413360	/nfs/dbraw/zinc/41/33/60/520413360.db2.gz	NLIDLOXLLAQKBL-UHFFFAOYSA-N	-1	0	465.502	3.923	50	0	biogenic	JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])CC1	ZINC000033253526	520585107	/nfs/dbraw/zinc/58/51/07/520585107.db2.gz	OGEJAJMVNFMWOC-UHFFFAOYSA-N	-1	0	480.970	3.927	50	0		JHAARM
CCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000016691663	521026602	/nfs/dbraw/zinc/02/66/02/521026602.db2.gz	WGGZWGOAIUYJQK-UHFFFAOYSA-N	-1	0	468.531	3.926	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])C1	ZINC000033253403	521303014	/nfs/dbraw/zinc/30/30/14/521303014.db2.gz	IBMGABITWMEMLS-KRWDZBQOSA-N	-1	0	460.552	3.528	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1OC	ZINC000033255788	521553233	/nfs/dbraw/zinc/55/32/33/521553233.db2.gz	LANUCGSDFRKLEF-ROUUACIJSA-N	-1	0	472.563	3.570	50	0		JHAARM
CCOc1nc(NC(=O)[N-]S(=O)(=O)Oc2cc(Cl)ccc2Cl)nc(-c2ccccc2)n1	ZINC000012412533	521605399	/nfs/dbraw/zinc/60/53/99/521605399.db2.gz	UDCZBZGFXSLJRT-UHFFFAOYSA-N	-1	0	484.321	3.689	50	0		JHAARM
COC(=O)c1cc(CNC(=O)c2cc(C(C)C)n[nH]2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000014984479	521855105	/nfs/dbraw/zinc/85/51/05/521855105.db2.gz	ZSLVPYGACPKTSC-UHFFFAOYSA-N	-1	0	490.969	3.704	50	0		JHAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000012525840	521902452	/nfs/dbraw/zinc/90/24/52/521902452.db2.gz	KSVPTBBCZIXPGA-UHFFFAOYSA-N	-1	0	453.822	3.963	50	0		JHAARM
CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)cc1)C(=O)[O-]	ZINC000008877771	522375055	/nfs/dbraw/zinc/37/50/55/522375055.db2.gz	WZOFYXICHCTAOM-QABPDZFRSA-N	-1	0	456.539	3.869	50	0	biogenic	JHAARM
COC(=O)c1n[nH]c2ccc([N-]S(=O)(=O)c3cc(Br)ccc3Br)cc21	ZINC000012520144	522382849	/nfs/dbraw/zinc/38/28/49/522382849.db2.gz	GBHKOYLHOLMNMB-UHFFFAOYSA-N	-1	0	489.145	3.675	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c1)NC(=O)CCC2=O	ZINC000033276762	522707437	/nfs/dbraw/zinc/70/74/37/522707437.db2.gz	GKJZQPCIOONDKE-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(C(C)=O)cc1	ZINC000045900320	523086350	/nfs/dbraw/zinc/08/63/50/523086350.db2.gz	MTVDMUXJRRQSJA-LJQANCHMSA-N	-1	0	465.535	3.502	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(OC)ccc3OC)c2)c2c(c1=O)CCCC2	ZINC000046027744	523609805	/nfs/dbraw/zinc/60/98/05/523609805.db2.gz	RNNBRBWFIXURAI-UHFFFAOYSA-N	-1	0	499.589	3.636	50	0		JHAARM
CCc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000044803362	523860952	/nfs/dbraw/zinc/86/09/52/523860952.db2.gz	RRZNSBZKDONEIQ-UHFFFAOYSA-N	-1	0	453.564	3.698	50	0		JHAARM
Cc1ccc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c1	ZINC000008609595	524136992	/nfs/dbraw/zinc/13/69/92/524136992.db2.gz	QNWKHLBCJMZUQG-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3NC(C)=O)c(=O)[n-]2)cc1	ZINC000044803235	524586080	/nfs/dbraw/zinc/58/60/80/524586080.db2.gz	BEQIQWRTRGLCNW-CYBMUJFWSA-N	-1	0	453.524	3.639	50	0		JHAARM
COc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000016179193	524651375	/nfs/dbraw/zinc/65/13/75/524651375.db2.gz	XHHBWZXOFCTRCW-UHFFFAOYSA-N	-1	0	454.483	3.844	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2Cl)cc1	ZINC000033276557	524686538	/nfs/dbraw/zinc/68/65/38/524686538.db2.gz	SRLPTWITDPANRM-UHFFFAOYSA-N	-1	0	474.926	3.694	50	0		JHAARM
Cc1ccc(-n2c3nnc(SCC(=O)[O-])n3c3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1	ZINC000002312741	525902963	/nfs/dbraw/zinc/90/29/63/525902963.db2.gz	KGOQKDVNICHGCQ-HNNXBMFYSA-N	-1	0	470.576	3.677	50	0		JHAARM
C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002133994	525940439	/nfs/dbraw/zinc/94/04/39/525940439.db2.gz	DXICFGQSCWLYEU-WNSKOXEYSA-N	-1	0	474.513	3.733	50	0	biogenic	JHAARM
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000006088863	525951375	/nfs/dbraw/zinc/95/13/75/525951375.db2.gz	JXGLDKCJRPJRSH-MDWZMJQESA-N	-1	0	481.603	3.729	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1	ZINC000002127309	526305031	/nfs/dbraw/zinc/30/50/31/526305031.db2.gz	ZKIUZXSOQMYIAW-DEOSSOPVSA-N	-1	0	498.491	3.838	50	0	biogenic	JHAARM
Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000033308009	527518931	/nfs/dbraw/zinc/51/89/31/527518931.db2.gz	XKNIAPFTJJUAPJ-UHFFFAOYSA-N	-1	0	463.519	3.518	50	0		JHAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c2ccc(F)cc21	ZINC000036353438	527641865	/nfs/dbraw/zinc/64/18/65/527641865.db2.gz	OYOHTNUZOXNBJQ-OAQYLSRUSA-N	-1	0	494.445	3.617	50	0		JHAARM
O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(N2CCN(c4ccc(F)cc4)CC2)c(Cl)c1=O)C3	ZINC000016428140	527658040	/nfs/dbraw/zinc/65/80/40/527658040.db2.gz	HWUKWHLMHXNHCG-LGHASZRESA-N	-1	0	486.975	3.598	50	0		JHAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2CC)c(S(=O)(=O)N[C@@H](C)CC)c1	ZINC000096317806	535464356	/nfs/dbraw/zinc/46/43/56/535464356.db2.gz	XUSXQSDGRQVCBE-KGLIPLIRSA-N	-1	0	480.587	3.763	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(I)c1	ZINC000000682381	553754348	/nfs/dbraw/zinc/75/43/48/553754348.db2.gz	NXFZDXKINLKWAX-UHFFFAOYSA-N	-1	0	485.328	3.801	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3I)cc2)no1	ZINC000000840962	553793462	/nfs/dbraw/zinc/79/34/62/553793462.db2.gz	WCQAWJKVRWWJQM-UHFFFAOYSA-N	-1	0	483.287	3.641	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)no1	ZINC000000955321	553883189	/nfs/dbraw/zinc/88/31/89/553883189.db2.gz	IDLZJEULRBRONZ-UHFFFAOYSA-N	-1	0	480.340	3.872	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2)ncn1	ZINC000001154321	553917966	/nfs/dbraw/zinc/91/79/66/553917966.db2.gz	LXRNYSOSBHBBBB-GFCCVEGCSA-N	-1	0	497.360	3.999	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2)ncn1	ZINC000001154320	553917996	/nfs/dbraw/zinc/91/79/96/553917996.db2.gz	LXRNYSOSBHBBBB-LBPRGKRZSA-N	-1	0	497.360	3.999	50	0		JHAARM
COc1cccc(C(=O)N[C@H](NC(=S)Nc2cccc(C(=O)[O-])c2)C(Cl)(Cl)Cl)c1	ZINC000001232964	553936829	/nfs/dbraw/zinc/93/68/29/553936829.db2.gz	ZFZKZNSNMAWKEW-MRXNPFEDSA-N	-1	0	476.769	3.806	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl	ZINC000002146179	554066269	/nfs/dbraw/zinc/06/62/69/554066269.db2.gz	FJFYYNDGTUFNEP-ZDUSSCGKSA-N	-1	0	487.969	3.871	50	0		JHAARM
COC(=O)[C@@](SCC(=O)Nc1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F	ZINC000002270423	554126496	/nfs/dbraw/zinc/12/64/96/554126496.db2.gz	SOFYRYOXIHPIQE-NRFANRHFSA-N	-1	0	479.480	3.777	50	0		JHAARM
CCN(CCCNC(=O)Cn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S)c1ccccc1	ZINC000002688933	554284842	/nfs/dbraw/zinc/28/48/42/554284842.db2.gz	KGQJDPFIWGDVNH-UHFFFAOYSA-N	-1	0	465.579	3.582	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)n1	ZINC000002696276	554292606	/nfs/dbraw/zinc/29/26/06/554292606.db2.gz	QDXIJBHACRKRLH-UHFFFAOYSA-N	-1	0	491.367	3.674	50	0		JHAARM
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1	ZINC000002709280	554297042	/nfs/dbraw/zinc/29/70/42/554297042.db2.gz	ZLLXJYWNLYZIJS-UHFFFAOYSA-N	-1	0	481.577	3.577	50	0		JHAARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Br)CC[C@@H](C(C)(C)C)C3	ZINC000002777926	554340413	/nfs/dbraw/zinc/34/04/13/554340413.db2.gz	QEOBTAZISMPOGD-LLVKDONJSA-N	-1	0	478.416	3.797	50	0		JHAARM
CSCC[C@H](NC(=O)/C(=C\c1ccc(OC(C)C)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000005220725	554487375	/nfs/dbraw/zinc/48/73/75/554487375.db2.gz	PCINREHAQSFCFW-GDUPUGJQSA-N	-1	0	456.564	3.567	50	0	biogenic	JHAARM
CCOC(=O)c1c2nc3ccccc3nc2n(CCCOC)c1[N-]S(=O)(=O)c1ccccc1	ZINC000006179344	554515593	/nfs/dbraw/zinc/51/55/93/554515593.db2.gz	DRACJKWGTDYKRU-UHFFFAOYSA-N	-1	0	468.535	3.599	50	0		JHAARM
C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Br)cc2)C[C@@H](C)O1	ZINC000006250983	554523164	/nfs/dbraw/zinc/52/31/64/554523164.db2.gz	XEINNWDMPWDUBD-ZIAGYGMSSA-N	-1	0	477.384	3.807	50	0		JHAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000008438901	554589896	/nfs/dbraw/zinc/58/98/96/554589896.db2.gz	REHYJHGSLSCELU-VQTJNVASSA-N	-1	0	453.514	3.618	50	0		JHAARM
O=C([O-])c1sc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccccc1	ZINC000008850826	554747925	/nfs/dbraw/zinc/74/79/25/554747925.db2.gz	WXWYSFPMYALQEZ-UHFFFAOYSA-N	-1	0	471.560	3.935	50	0		JHAARM
O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(COc2ccccc2)o1	ZINC000008896258	554785897	/nfs/dbraw/zinc/78/58/97/554785897.db2.gz	GJRLEQSXOWPAPJ-UHFFFAOYSA-N	-1	0	467.481	3.999	50	0		JHAARM
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ccccc1C(=O)[O-]	ZINC000009096829	554895436	/nfs/dbraw/zinc/89/54/36/554895436.db2.gz	RUIBZNDUENLEKH-UHFFFAOYSA-N	-1	0	460.552	3.750	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(N3C(=S)N=NC3c3ccc4ccccc4n3)cc2)s1	ZINC000009111050	554898514	/nfs/dbraw/zinc/89/85/14/554898514.db2.gz	NURGHLIONBLCNB-UHFFFAOYSA-N	-1	0	495.615	3.986	50	0		JHAARM
CCN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O	ZINC000009129008	554926547	/nfs/dbraw/zinc/92/65/47/554926547.db2.gz	PWUFQBRCYMEWLU-HXUWFJFHSA-N	-1	0	470.451	3.699	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1C	ZINC000009226198	554998750	/nfs/dbraw/zinc/99/87/50/554998750.db2.gz	MRIQDUUIFXASEV-UHFFFAOYSA-N	-1	0	471.922	3.649	50	0		JHAARM
Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1-c1ccccc1	ZINC000009245852	555022290	/nfs/dbraw/zinc/02/22/90/555022290.db2.gz	JDRXGLJDFWGMEU-UHFFFAOYSA-N	-1	0	486.604	3.564	50	0		JHAARM
Cc1ccc(-n2c(SCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])nc3ccccc3c2=O)cc1C	ZINC000009282994	555053271	/nfs/dbraw/zinc/05/32/71/555053271.db2.gz	ZVIXCPTYXLVZRR-HSZRJFAPSA-N	-1	0	487.581	3.907	50	0		JHAARM
COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(=O)Nc4ccccc4)cnn32)ccc1O	ZINC000009409783	555175141	/nfs/dbraw/zinc/17/51/41/555175141.db2.gz	FYQNMCWRVAFKLW-IBGZPJMESA-N	-1	0	486.484	3.931	50	0		JHAARM
O=C(Nc1ccc(Cl)cc1)c1ccc2c([O-])c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1	ZINC000009429653	555196833	/nfs/dbraw/zinc/19/68/33/555196833.db2.gz	NDDOVPAJPFNHAM-UHFFFAOYSA-N	-1	0	454.891	3.972	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000009464889	555237947	/nfs/dbraw/zinc/23/79/47/555237947.db2.gz	BEWFTEQRAWGOBM-UHFFFAOYSA-N	-1	0	458.989	3.714	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C/c2ccco2)ccc1N1CCOCC1	ZINC000009493922	555277136	/nfs/dbraw/zinc/27/71/36/555277136.db2.gz	ZSWPAPZRSCKWPI-PKNBQFBNSA-N	-1	0	483.546	3.578	50	0		JHAARM
COc1ccccc1-c1nc(CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1	ZINC000013236145	555370347	/nfs/dbraw/zinc/37/03/47/555370347.db2.gz	QJJYTORGRDZRGF-LJQANCHMSA-N	-1	0	450.520	3.795	50	0		JHAARM
O=C([O-])CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1	ZINC000013362491	555387556	/nfs/dbraw/zinc/38/75/56/555387556.db2.gz	DAOAOLTZVWUZKQ-KRWDZBQOSA-N	-1	0	472.950	3.584	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000009674706	555399897	/nfs/dbraw/zinc/39/98/97/555399897.db2.gz	TXKVGILEUXTYKI-CVEARBPZSA-N	-1	0	497.136	3.688	50	0		JHAARM
COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2OC)c1	ZINC000013575849	555514599	/nfs/dbraw/zinc/51/45/99/555514599.db2.gz	PYJGPYRDNGPSIU-QNGOZBTKSA-N	-1	0	476.485	3.820	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccncc1)NC(=O)c1ccccc1Cl	ZINC000013575803	555514628	/nfs/dbraw/zinc/51/46/28/555514628.db2.gz	DXZMHTRTUFKLCM-UNOMPAQXSA-N	-1	0	451.866	3.851	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cc2c(cc1OC)OCO2)NC(=O)c1ccccc1	ZINC000013575896	555514982	/nfs/dbraw/zinc/51/49/82/555514982.db2.gz	CSHHMAISYDRNBQ-ODLFYWEKSA-N	-1	0	490.468	3.540	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000013576416	555515592	/nfs/dbraw/zinc/51/55/92/555515592.db2.gz	DSQVZRMIUYRHPT-MOEXGYKKSA-N	-1	0	465.314	3.997	50	0		JHAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000013579047	555517729	/nfs/dbraw/zinc/51/77/29/555517729.db2.gz	HGUAOLRXNVISFD-OALUTQOASA-N	-1	0	456.882	3.741	50	0		JHAARM
COc1ccc2nc([N-]S(=O)(=O)c3ccccc3)c(Nc3ccc4c(c3)OCCO4)nc2c1	ZINC000009858040	555559302	/nfs/dbraw/zinc/55/93/02/555559302.db2.gz	KTYBWJBNHGXPQY-UHFFFAOYSA-N	-1	0	464.503	3.954	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NC(c3ccccc3)c3ccccc3)cc2)no1	ZINC000013732296	555604067	/nfs/dbraw/zinc/60/40/67/555604067.db2.gz	YTVXSZLSXGQMPS-UHFFFAOYSA-N	-1	0	490.541	3.628	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1	ZINC000013778117	555617458	/nfs/dbraw/zinc/61/74/58/555617458.db2.gz	JOEPDZDGXOKZOF-ZRDIBKRKSA-N	-1	0	452.488	3.877	50	0		JHAARM
CCc1c(C)sc(NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C(=O)OC	ZINC000020191509	555692676	/nfs/dbraw/zinc/69/26/76/555692676.db2.gz	HMQAWAJRCWVFMW-UHFFFAOYSA-N	-1	0	469.654	3.883	50	0		JHAARM
COCCOc1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C(=O)[O-])cc1OC	ZINC000010512072	555722217	/nfs/dbraw/zinc/72/22/17/555722217.db2.gz	KJBSOCUZTAKHRM-UHFFFAOYSA-N	-1	0	451.541	3.762	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N2CCc3ccccc32)c1	ZINC000011332919	555773547	/nfs/dbraw/zinc/77/35/47/555773547.db2.gz	NVLJUHXXFWNKEW-UHFFFAOYSA-N	-1	0	464.543	3.850	50	0		JHAARM
O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000011412069	555778727	/nfs/dbraw/zinc/77/87/27/555778727.db2.gz	OYZIPIXKGSCHRG-UHFFFAOYSA-N	-1	0	499.932	3.917	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(OCC(F)(F)F)nc2)c1	ZINC000014342866	555795425	/nfs/dbraw/zinc/79/54/25/555795425.db2.gz	FBHNAQSAIOHFAF-UHFFFAOYSA-N	-1	0	497.451	3.790	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)[C@H]1CC=CCC1)CC2	ZINC000011783379	555814227	/nfs/dbraw/zinc/81/42/27/555814227.db2.gz	FFDXYNXKDXVZTM-INIZCTEOSA-N	-1	0	474.604	3.885	50	0		JHAARM
Cc1cc(=O)oc2c3c(cc(OCC(=O)N[C@H](C(=O)[O-])c4ccccc4)c12)OC(C)(C)CC3	ZINC000011865489	555840181	/nfs/dbraw/zinc/84/01/81/555840181.db2.gz	GHKUMLWXBYYVNR-QFIPXVFZSA-N	-1	0	451.475	3.526	50	0	biogenic	JHAARM
CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)ccc3OCC)ccc21	ZINC000012180448	555934653	/nfs/dbraw/zinc/93/46/53/555934653.db2.gz	GXOJARNREGRZQB-UHFFFAOYSA-N	-1	0	452.598	3.687	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341895	555953953	/nfs/dbraw/zinc/95/39/53/555953953.db2.gz	YFPUCHFRNPTYEX-LJQANCHMSA-N	-1	0	451.552	3.508	50	0		JHAARM
O=C(c1ccco1)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1	ZINC000022851817	555958492	/nfs/dbraw/zinc/95/84/92/555958492.db2.gz	QFMBAWAVROFGQV-LJQANCHMSA-N	-1	0	475.530	3.897	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCC(=O)N1CCN(c3cccc(C)c3C)CC1)c2=O	ZINC000012415908	555977452	/nfs/dbraw/zinc/97/74/52/555977452.db2.gz	UBSKMUVLQJKIOI-UHFFFAOYSA-N	-1	0	494.617	3.592	50	0		JHAARM
COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Br)cc2)CC1	ZINC000023157019	556025560	/nfs/dbraw/zinc/02/55/60/556025560.db2.gz	HEIGZZQPDCSFLC-OAHLLOKOSA-N	-1	0	465.373	3.542	50	0		JHAARM
COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1	ZINC000023157914	556026198	/nfs/dbraw/zinc/02/61/98/556026198.db2.gz	FUPTTWWZXCHQSM-HXUWFJFHSA-N	-1	0	453.543	3.864	50	0		JHAARM
Cc1cc(CSc2ncccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)no1	ZINC000012548691	556027677	/nfs/dbraw/zinc/02/76/77/556027677.db2.gz	KFHDRZNCRWNBNN-UHFFFAOYSA-N	-1	0	482.547	3.513	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1NC(C)=O	ZINC000012552436	556035205	/nfs/dbraw/zinc/03/52/05/556035205.db2.gz	GZNNXOFXWWULHN-UHFFFAOYSA-N	-1	0	454.430	3.659	50	0		JHAARM
O=S(=O)([N-]c1ccc(N2CCCS2(=O)=O)cc1)c1cc(C(F)(F)F)ccc1Cl	ZINC000012561183	556054020	/nfs/dbraw/zinc/05/40/20/556054020.db2.gz	QKAJYEMOOCSHRT-UHFFFAOYSA-N	-1	0	454.879	3.700	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1	ZINC000015885101	556060753	/nfs/dbraw/zinc/06/07/53/556060753.db2.gz	IGHMGQKJWJNYFR-KJCUYJGMSA-N	-1	0	483.318	3.625	50	0		JHAARM
COc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000015896544	556062169	/nfs/dbraw/zinc/06/21/69/556062169.db2.gz	ORWHORXPBSQZEC-UHFFFAOYSA-N	-1	0	486.331	3.839	50	0		JHAARM
O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1	ZINC000015936854	556074893	/nfs/dbraw/zinc/07/48/93/556074893.db2.gz	GUFZRZRCDBQRIO-BKUYFWCQSA-N	-1	0	489.459	3.634	50	0		JHAARM
Cc1oc2cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000016029499	556116716	/nfs/dbraw/zinc/11/67/16/556116716.db2.gz	AJPHCNPBBKICTI-DEOSSOPVSA-N	-1	0	481.501	3.534	50	0		JHAARM
O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCCc1c[nH]c2ccccc12	ZINC000016848339	556169616	/nfs/dbraw/zinc/16/96/16/556169616.db2.gz	PGRFVETXZSSEEK-UHFFFAOYSA-N	-1	0	454.577	3.717	50	0		JHAARM
CC(=O)Nc1nc(C(=O)Nc2cc(Cl)ccc2[N-]S(=O)(=O)c2ccccc2F)cs1	ZINC000025131746	556180302	/nfs/dbraw/zinc/18/03/02/556180302.db2.gz	RUPJNWCCFQPIFD-UHFFFAOYSA-N	-1	0	468.919	3.947	50	0		JHAARM
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC000025526711	556219422	/nfs/dbraw/zinc/21/94/22/556219422.db2.gz	WIJWIVGXBNHGHG-GASCZTMLSA-N	-1	0	467.385	3.808	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[n-]2)c(OC)c1	ZINC000017135605	556222356	/nfs/dbraw/zinc/22/23/56/556222356.db2.gz	NTQLHKDWJQEWRU-UHFFFAOYSA-N	-1	0	485.504	3.593	50	0		JHAARM
COc1ccc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000026810140	556263841	/nfs/dbraw/zinc/26/38/41/556263841.db2.gz	VBKDEZCFRHHZOP-UHFFFAOYSA-N	-1	0	497.504	3.541	50	0		JHAARM
O=C(c1ccco1)N1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000018054996	556280743	/nfs/dbraw/zinc/28/07/43/556280743.db2.gz	PAYFXNBSOZKFJP-UHFFFAOYSA-N	-1	0	497.964	3.639	50	0		JHAARM
COc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000029854549	556359221	/nfs/dbraw/zinc/35/92/21/556359221.db2.gz	DDVZTSMWPQAEKY-OAQYLSRUSA-N	-1	0	470.478	3.875	50	0		JHAARM
CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(C)C	ZINC000032774294	556490694	/nfs/dbraw/zinc/49/06/94/556490694.db2.gz	FSURNJOHTUMFCB-MRXNPFEDSA-N	-1	0	450.532	3.817	50	0		JHAARM
O=C1CN(c2ccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2Cl)CCN1	ZINC000032915858	556539675	/nfs/dbraw/zinc/53/96/75/556539675.db2.gz	MIKCDXMLCLSTKV-UHFFFAOYSA-N	-1	0	468.284	3.749	50	0		JHAARM
Cc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000001115823	562919768	/nfs/dbraw/zinc/91/97/68/562919768.db2.gz	NMQGWSIHJBGHRW-NHCUHLMSSA-N	-1	0	463.534	3.689	50	0		JHAARM
Cc1ccc(CNC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1	ZINC000008589478	562942124	/nfs/dbraw/zinc/94/21/24/562942124.db2.gz	NBCMAKLXTAAHDS-UHFFFAOYSA-N	-1	0	482.945	3.958	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)cc2)n1	ZINC000008606758	562946912	/nfs/dbraw/zinc/94/69/12/562946912.db2.gz	OTOPLUOLDAJFLT-UHFFFAOYSA-N	-1	0	478.530	3.870	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(C)ccc4o3)cc2)c1C	ZINC000008606756	562946949	/nfs/dbraw/zinc/94/69/49/562946949.db2.gz	ZXHICIWUNWAYOS-UHFFFAOYSA-N	-1	0	453.476	3.759	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])C1	ZINC000032962060	569602873	/nfs/dbraw/zinc/60/28/73/569602873.db2.gz	RIABPDJTTCHYDV-SFHVURJKSA-N	-1	0	474.579	3.890	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)c(C)cc2C)C1	ZINC000032971100	569603628	/nfs/dbraw/zinc/60/36/28/569603628.db2.gz	RJPXQRLPLHAPOP-IBGZPJMESA-N	-1	0	474.579	3.890	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C(C)=O)cc1	ZINC000032971239	569603774	/nfs/dbraw/zinc/60/37/74/569603774.db2.gz	JIEMZYDULDMPJW-UHFFFAOYSA-N	-1	0	484.578	3.940	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000032975740	569606221	/nfs/dbraw/zinc/60/62/21/569606221.db2.gz	CHUKDFIWMUJMIB-WOJBJXKFSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCOC(=O)c1cnn(-c2cccc([N-]S(=O)(=O)c3cc(C)ccc3O)c2)c1C(F)(F)F	ZINC000062592011	569612663	/nfs/dbraw/zinc/61/26/63/569612663.db2.gz	LVBAGBMAPQABRX-UHFFFAOYSA-N	-1	0	469.441	3.883	50	0		JHAARM
Cc1cc(S(=O)(=O)NN=c2[nH]cc(C(F)(F)F)cc2Cl)ccc1OCCCC(=O)[O-]	ZINC000062613678	569613136	/nfs/dbraw/zinc/61/31/36/569613136.db2.gz	UGKNKHNSDUBAHG-UHFFFAOYSA-N	-1	0	467.853	3.611	50	0		JHAARM
COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000033298107	569622590	/nfs/dbraw/zinc/62/25/90/569622590.db2.gz	CMAWFZRXNWXRJF-UHFFFAOYSA-N	-1	0	466.519	3.594	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[n-]c1=O	ZINC000064774917	569627182	/nfs/dbraw/zinc/62/71/82/569627182.db2.gz	MZSUBHBOKGJMJG-UHFFFAOYSA-N	-1	0	459.478	3.910	50	0		JHAARM
COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)ccc1OCC(N)=O	ZINC000064796104	569630182	/nfs/dbraw/zinc/63/01/82/569630182.db2.gz	FGWNAFCNROBNOU-HNNXBMFYSA-N	-1	0	466.515	3.769	50	0		JHAARM
COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)ccc1OCC(N)=O	ZINC000064796111	569630184	/nfs/dbraw/zinc/63/01/84/569630184.db2.gz	FGWNAFCNROBNOU-OAHLLOKOSA-N	-1	0	466.515	3.769	50	0		JHAARM
O=C([O-])c1ccc(N2CCCN(c3ccc(Cl)nn3)CC2)c(NC(=O)c2ccccc2)c1	ZINC000064820632	569636227	/nfs/dbraw/zinc/63/62/27/569636227.db2.gz	LPFRHFSDFUBERY-UHFFFAOYSA-N	-1	0	451.914	3.797	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c1	ZINC000064844150	569638330	/nfs/dbraw/zinc/63/83/30/569638330.db2.gz	YXCJAZUKHIYECH-IBGZPJMESA-N	-1	0	472.611	3.510	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)cc1C	ZINC000064844169	569638356	/nfs/dbraw/zinc/63/83/56/569638356.db2.gz	DPDIWWOADFDZOD-IBGZPJMESA-N	-1	0	472.611	3.510	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccccc3C)c1)NC(=O)CCC2=O	ZINC000065020730	569648228	/nfs/dbraw/zinc/64/82/28/569648228.db2.gz	BQCRQUUTVLRGDK-UHFFFAOYSA-N	-1	0	482.562	3.993	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3)c1)NC(=O)CCC2=O	ZINC000065011174	569648296	/nfs/dbraw/zinc/64/82/96/569648296.db2.gz	DOYJDNMDOCRCQV-UHFFFAOYSA-N	-1	0	486.525	3.824	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)n3)c(C)n2C)sc1C(=O)N1CCCCCC1	ZINC000065036259	569653216	/nfs/dbraw/zinc/65/32/16/569653216.db2.gz	SMHDIRASGMOHOP-UHFFFAOYSA-N	-1	0	487.651	4.286	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)c1	ZINC000065063453	569656562	/nfs/dbraw/zinc/65/65/62/569656562.db2.gz	JCJRTHHXWLJEAD-UHFFFAOYSA-N	-1	0	469.519	3.584	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCc3ccccn3)c(=O)[n-]2)ccc1OCc1ccccc1F	ZINC000034766461	569658535	/nfs/dbraw/zinc/65/85/35/569658535.db2.gz	DSZWMCQDTOSTBD-UHFFFAOYSA-N	-1	0	489.507	3.615	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)no1)N1CCCC1	ZINC000065097460	569661221	/nfs/dbraw/zinc/66/12/21/569661221.db2.gz	ZZYFBECVAZLOCP-UHFFFAOYSA-N	-1	0	488.469	3.734	50	0		JHAARM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1	ZINC000065099002	569661933	/nfs/dbraw/zinc/66/19/33/569661933.db2.gz	VOUOULSQGRRNNZ-UHFFFAOYSA-N	-1	0	450.517	3.673	50	0		JHAARM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3F)c2)o1)N1CCCCC1	ZINC000065098918	569662023	/nfs/dbraw/zinc/66/20/23/569662023.db2.gz	ZZHKGWVRDIOYEC-UHFFFAOYSA-N	-1	0	454.480	3.503	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)c1	ZINC000065115946	569666220	/nfs/dbraw/zinc/66/62/20/569666220.db2.gz	JCRIFBSUVGXGOF-UHFFFAOYSA-N	-1	0	473.507	3.595	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000035397785	569688392	/nfs/dbraw/zinc/68/83/92/569688392.db2.gz	OZKYNEVACCUFLT-UHFFFAOYSA-N	-1	0	485.610	3.617	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)cnc1N1CCC[C@@H](C[NH+]2CCCC2)C1	ZINC000035397843	569688487	/nfs/dbraw/zinc/68/84/87/569688487.db2.gz	HBOWJURXAVBADO-INIZCTEOSA-N	-1	0	479.002	3.546	50	0		JHAARM
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC(CC[NH+]3CCCCC3)CC2)c1	ZINC000035397927	569688828	/nfs/dbraw/zinc/68/88/28/569688828.db2.gz	NQMUWHIATYCJDL-UHFFFAOYSA-N	-1	0	486.638	3.981	50	0		JHAARM
Cc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])cnc1N1CCC(CC[NH+]2CCCCC2)CC1	ZINC000035397925	569688854	/nfs/dbraw/zinc/68/88/54/569688854.db2.gz	DCSKQFHACWEPRQ-UHFFFAOYSA-N	-1	0	486.638	3.981	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCC1	ZINC000035398959	569689254	/nfs/dbraw/zinc/68/92/54/569689254.db2.gz	VUEIJWBSKQFEFV-UHFFFAOYSA-N	-1	0	485.606	3.568	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1	ZINC000035399159	569689663	/nfs/dbraw/zinc/68/96/63/569689663.db2.gz	YLFXZPBAXHSHKI-UHFFFAOYSA-N	-1	0	499.633	3.958	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])CC1	ZINC000071788162	569698320	/nfs/dbraw/zinc/69/83/20/569698320.db2.gz	LWNSUKWTIGDXFE-QHCPKHFHSA-N	-1	0	495.576	3.531	50	0		JHAARM
Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nccs5)cc4)sc3nc12	ZINC000095101186	569721879	/nfs/dbraw/zinc/72/18/79/569721879.db2.gz	XTJTZRUGUALVPA-UHFFFAOYSA-N	-1	0	497.583	3.727	50	0		JHAARM
CC(C)(C)OC(=O)N1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1	ZINC000098209756	569750746	/nfs/dbraw/zinc/75/07/46/569750746.db2.gz	HBGXFNDIESDQNB-RUZDIDTESA-N	-1	0	452.507	3.989	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Br)cc4)c=3c2=O)cc1	ZINC000100033919	569751665	/nfs/dbraw/zinc/75/16/65/569751665.db2.gz	KNOBJBFPBOCMOO-RBUKOAKNSA-N	-1	0	470.327	3.504	50	0		JHAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=S)n(-c3ccc(Cl)cc3)c1=O)N(C(C)=O)CC2	ZINC000100750022	569768880	/nfs/dbraw/zinc/76/88/80/569768880.db2.gz	YNRLFYJBBOOPLV-HXUWFJFHSA-N	-1	0	487.965	3.765	50	0	biogenic	JHAARM
O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(Cc4ccccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036353233	569771413	/nfs/dbraw/zinc/77/14/13/569771413.db2.gz	RFLWBVUGGUFOSG-SANMLTNESA-N	-1	0	484.556	3.726	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(c3ccccn3)CC1)cn2Cc1ccccc1	ZINC000036358945	569772287	/nfs/dbraw/zinc/77/22/87/569772287.db2.gz	HVGZPRJECSQXHR-RUZDIDTESA-N	-1	0	470.529	3.731	50	0		JHAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(C/C=C/c3ccccc3)CC1)cn2CCC(=O)[O-]	ZINC000036369824	569773227	/nfs/dbraw/zinc/77/32/27/569773227.db2.gz	IKFYRUCZQPCYNP-OZJHFHSKSA-N	-1	0	477.561	3.581	50	0	biogenic	JHAARM
COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Br)cc4)[C@@H](c4cccnc4)[C@@H]3C2=O)cc1	ZINC000100880377	569774091	/nfs/dbraw/zinc/77/40/91/569774091.db2.gz	FFBHEJYHCCZFAR-ACRUOGEOSA-N	-1	0	480.318	3.904	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000036419423	569775727	/nfs/dbraw/zinc/77/57/27/569775727.db2.gz	UDYDMJVXEOHVTJ-XNJGSVPQSA-N	-1	0	450.385	3.796	50	0		JHAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)CCCCC(=O)[C@@H]1C(C)=NN(c2ccccc2)C1=O	ZINC000100933119	569776435	/nfs/dbraw/zinc/77/64/35/569776435.db2.gz	JWRQUTBOYGORNK-PSWAGMNNSA-N	-1	0	458.518	3.763	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000101166598	569785625	/nfs/dbraw/zinc/78/56/25/569785625.db2.gz	ADCAWRFKLSXPGH-FCHUYYIVSA-N	-1	0	459.437	3.550	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000101169078	569785768	/nfs/dbraw/zinc/78/57/68/569785768.db2.gz	VBXJDNPYCLIYDI-FCHUYYIVSA-N	-1	0	477.427	3.689	50	0		JHAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1ccc(C(C)C)cc1	ZINC000101456195	569798142	/nfs/dbraw/zinc/79/81/42/569798142.db2.gz	DWYOOMIHTNRLCM-HXUWFJFHSA-N	-1	0	466.925	3.706	50	0		JHAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@@H]1c1cccc2ccccc21	ZINC000101456616	569798362	/nfs/dbraw/zinc/79/83/62/569798362.db2.gz	QFXPPKCXJZYWJV-OAQYLSRUSA-N	-1	0	474.904	3.736	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1cccc(Cl)c1	ZINC000101893058	569807449	/nfs/dbraw/zinc/80/74/49/569807449.db2.gz	UFKOLAAEPXZYBG-HOTGVXAUSA-N	-1	0	476.802	3.902	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Br)no4)c=3c2=O)cc1C	ZINC000101893099	569807478	/nfs/dbraw/zinc/80/74/78/569807478.db2.gz	UPIVQDDKPUPUQN-MSOLQXFVSA-N	-1	0	481.310	3.609	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000102001300	569808794	/nfs/dbraw/zinc/80/87/94/569808794.db2.gz	YAWWLNOZRJCGST-CVEARBPZSA-N	-1	0	497.136	3.688	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2OC)cc1Cl	ZINC000102810866	569824049	/nfs/dbraw/zinc/82/40/49/569824049.db2.gz	NUADRWWXALYFGM-KRWDZBQOSA-N	-1	0	454.870	3.789	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)c1	ZINC000040450216	569828211	/nfs/dbraw/zinc/82/82/11/569828211.db2.gz	CXVJTTAQKMODAC-UHFFFAOYSA-N	-1	0	483.384	3.956	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc(OC)c1	ZINC000040454570	569829434	/nfs/dbraw/zinc/82/94/34/569829434.db2.gz	ZZLGPYISPGGMOH-UHFFFAOYSA-N	-1	0	481.368	3.566	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4cccc(C)c4)[C@H](C)C3)c(C(=O)[O-])c2)cc1	ZINC000106409804	569854238	/nfs/dbraw/zinc/85/42/38/569854238.db2.gz	HMXSMJVIUONJFV-GOSISDBHSA-N	-1	0	496.589	3.613	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000137791796	569865159	/nfs/dbraw/zinc/86/51/59/569865159.db2.gz	MGSRZZZNMSSJNF-WMTXJRDZSA-N	-1	0	488.496	3.762	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C(F)(F)F)C[C@H]1C(=O)[O-]	ZINC000169725663	569871596	/nfs/dbraw/zinc/87/15/96/569871596.db2.gz	IVAOLSAORSXCKI-LBPRGKRZSA-N	-1	0	453.255	3.978	50	0		JHAARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4OCC(=O)[O-])[C@@H]3C2=O)c(C)c1	ZINC000230041695	570043885	/nfs/dbraw/zinc/04/38/85/570043885.db2.gz	IVMLNIBWUHXTQG-ISJGIBHGSA-N	-1	0	472.497	3.818	50	0		JHAARM
COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)ccc32)cc1	ZINC000238950785	570048383	/nfs/dbraw/zinc/04/83/83/570048383.db2.gz	ZMGPMCNHOUGQGK-SAABIXHNSA-N	-1	0	465.502	3.855	50	0	biogenic	JHAARM
O=C([O-])c1ccc(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)o2)cc1	ZINC000252620869	570087287	/nfs/dbraw/zinc/08/72/87/570087287.db2.gz	MOBGCBSDYHYECI-UHFFFAOYSA-N	-1	0	485.504	3.856	50	0		JHAARM
COc1ccc(NC(=O)C[C@@H](c2cc(OC)c3c(c2OC)OCO3)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471213	570099338	/nfs/dbraw/zinc/09/93/38/570099338.db2.gz	NUFULBAISIGVPX-INIZCTEOSA-N	-1	0	483.473	3.569	50	0		JHAARM
Cn1nc(C(F)(F)F)c(-c2ccc(Br)cc2)c1NC(=O)CSCC(=O)[O-]	ZINC000001029134	194005474	/nfs/dbraw/zinc/00/54/74/194005474.db2.gz	OSTIZFGRVNDWPO-UHFFFAOYSA-N	-1	0	452.252	3.625	50	0		JHAARM
CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)cc1	ZINC000002950343	194177378	/nfs/dbraw/zinc/17/73/78/194177378.db2.gz	IPXJGIJBKOGWFG-UHFFFAOYSA-N	-1	0	482.128	3.926	50	0		JHAARM
O=C([O-])c1cccc(NC(=S)NC(=O)c2cc(I)ccc2Cl)c1	ZINC000002999131	194198690	/nfs/dbraw/zinc/19/86/90/194198690.db2.gz	YVZSHWLRBUDLMC-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1)NC1CCCC1	ZINC000003289141	194266217	/nfs/dbraw/zinc/26/62/17/194266217.db2.gz	PLKSSJGUICUZMZ-UHFFFAOYSA-N	-1	0	487.397	3.527	50	0		JHAARM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)N1CCN(c2ccccn2)CC1	ZINC000003306135	194274882	/nfs/dbraw/zinc/27/48/82/194274882.db2.gz	IUXWGDLQTIWFFR-UHFFFAOYSA-N	-1	0	474.945	3.637	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2)no1	ZINC000003306886	194275152	/nfs/dbraw/zinc/27/51/52/194275152.db2.gz	ZYORNGRBWOLEQC-UHFFFAOYSA-N	-1	0	455.414	3.820	50	0		JHAARM
COc1ccccc1NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000003449371	194328421	/nfs/dbraw/zinc/32/84/21/194328421.db2.gz	ANZOIFITLOSZJS-UHFFFAOYSA-N	-1	0	472.494	3.739	50	0		JHAARM
CN(C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccccc1	ZINC000003525773	194335154	/nfs/dbraw/zinc/33/51/54/194335154.db2.gz	YPBLCNMHDBVDID-UHFFFAOYSA-N	-1	0	460.458	3.585	50	0		JHAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N[C@H]1CCCc2ccccc21	ZINC000004595999	194392565	/nfs/dbraw/zinc/39/25/65/194392565.db2.gz	NSKWBSVVKWQHSH-FQEVSTJZSA-N	-1	0	470.572	3.900	50	0		JHAARM
O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(N4CCN(c5ccccc5)CC4)c(Cl)c1=O)(C3)C2	ZINC000008687043	194477358	/nfs/dbraw/zinc/47/73/58/194477358.db2.gz	FNUFLICOJROSHP-GBXBDOIYSA-N	-1	0	483.012	3.994	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000009674521	194881308	/nfs/dbraw/zinc/88/13/08/194881308.db2.gz	JUKALPLQGZRLPF-HZPDHXFCSA-N	-1	0	452.685	3.579	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1	ZINC000012631021	195063140	/nfs/dbraw/zinc/06/31/40/195063140.db2.gz	PHLILBAOCHHLNI-NRFANRHFSA-N	-1	0	474.922	3.797	50	0		JHAARM
Cc1c(C)c2c(OCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc3c(c2oc1=O)CCC(C)(C)O3	ZINC000012890500	195172619	/nfs/dbraw/zinc/17/26/19/195172619.db2.gz	NOHZAMDNJBVHTA-JOCHJYFZSA-N	-1	0	465.502	3.834	50	0	biogenic	JHAARM
CC[C@@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000012896564	195175641	/nfs/dbraw/zinc/17/56/41/195175641.db2.gz	BCONSNMHVHWOBN-BDJFWFNGSA-N	-1	0	486.565	3.877	50	0	biogenic	JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)cc1C	ZINC000020860960	195233256	/nfs/dbraw/zinc/23/32/56/195233256.db2.gz	PVVLJJYAJQKKTO-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccccc2)[n-]c1=O	ZINC000021151994	195283328	/nfs/dbraw/zinc/28/33/28/195283328.db2.gz	LLURFUAMSHQJSX-SFHVURJKSA-N	-1	0	451.552	3.998	50	0		JHAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)[C@H](C)CC)ccc1Oc1c(C)c(C(=O)[O-])nn1CC	ZINC000096317808	130062287	/nfs/dbraw/zinc/06/22/87/130062287.db2.gz	XUSXQSDGRQVCBE-ZIAGYGMSSA-N	-1	0	480.587	3.763	50	0		JHAARM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)N[C@H](C)c3ccccc3)ccc21	ZINC000012508431	519633478	/nfs/dbraw/zinc/63/34/78/519633478.db2.gz	ULTXDLRMSCYLNE-QGZVFWFLSA-N	-1	0	463.559	3.887	50	0		JHAARM
CC(C)Oc1ccc(/C=C(/NC(=O)c2ccc(Br)o2)C(=O)NCCCC(=O)[O-])cc1	ZINC000012382745	519778298	/nfs/dbraw/zinc/77/82/98/519778298.db2.gz	JMSQCMCLDLTGBP-FOWTUZBSSA-N	-1	0	479.327	3.581	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000008749343	520480642	/nfs/dbraw/zinc/48/06/42/520480642.db2.gz	OTMULPYJGARLGK-YJADQXIJSA-N	-1	0	490.581	3.620	50	0		JHAARM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(I)c1	ZINC000016424837	520687483	/nfs/dbraw/zinc/68/74/83/520687483.db2.gz	RJGPUKIJQOOPAT-UHFFFAOYSA-N	-1	0	488.347	3.631	50	0		JHAARM
CCCCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCSC)C(=O)[O-])cc1	ZINC000008740178	520871614	/nfs/dbraw/zinc/87/16/14/520871614.db2.gz	RNTQOGGYJIBDES-FGZHOGPDSA-N	-1	0	472.607	3.529	50	0	biogenic	JHAARM
CCCCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000008740176	520871971	/nfs/dbraw/zinc/87/19/71/520871971.db2.gz	RNTQOGGYJIBDES-FCHUYYIVSA-N	-1	0	472.607	3.529	50	0	biogenic	JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)c(Cl)c2)CC1	ZINC000022627002	520956535	/nfs/dbraw/zinc/95/65/35/520956535.db2.gz	ITVVQYYKGPTGMY-OAHLLOKOSA-N	-1	0	470.382	3.975	50	0		JHAARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000008395961	521012871	/nfs/dbraw/zinc/01/28/71/521012871.db2.gz	UMRMDPCIMHJTGG-OPYOOOJUSA-N	-1	0	492.731	3.554	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(OC)cc3OC)cc21	ZINC000040450263	521155407	/nfs/dbraw/zinc/15/54/07/521155407.db2.gz	TXFMVYHOZIGMFV-UHFFFAOYSA-N	-1	0	469.357	3.566	50	0		JHAARM
CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002134758	521260336	/nfs/dbraw/zinc/26/03/36/521260336.db2.gz	QKQANAPOAKDCJR-NPMXOYFQSA-N	-1	0	492.528	3.902	50	0	biogenic	JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C(=O)[O-])C1	ZINC000033253399	521302735	/nfs/dbraw/zinc/30/27/35/521302735.db2.gz	DNSJYXKXACXCMD-AWEZNQCLSA-N	-1	0	496.969	3.627	50	0		JHAARM
COC(=O)c1cc(CNC(=O)c2cccc(OC)c2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012218018	521855284	/nfs/dbraw/zinc/85/52/84/521855284.db2.gz	SQAFXXHHDKBGAL-UHFFFAOYSA-N	-1	0	488.949	3.866	50	0		JHAARM
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(Br)c1	ZINC000016382408	522270792	/nfs/dbraw/zinc/27/07/92/522270792.db2.gz	XPGVIBYCKOCAKM-MRXNPFEDSA-N	-1	0	494.729	3.861	50	0		JHAARM
CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)c1)NC(=O)CCC2=O	ZINC000033276689	522704569	/nfs/dbraw/zinc/70/45/69/522704569.db2.gz	FKGUFJQMYSRKCO-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2c(C)nc3sc4ccccc4n3c2=O)cc1Cl	ZINC000021883933	522815331	/nfs/dbraw/zinc/81/53/31/522815331.db2.gz	WVGGDUBEBVHOMK-UHFFFAOYSA-N	-1	0	465.940	3.689	50	0		JHAARM
COc1cc([C@@H](CC(=O)[O-])CC(=O)CNc2ccc3c(c2)OCCCO3)cc(OC)c1OC	ZINC000008628182	522911878	/nfs/dbraw/zinc/91/18/78/522911878.db2.gz	IAQJODXIGSFUHT-OAHLLOKOSA-N	-1	0	459.495	3.503	50	0		JHAARM
COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000022626299	522918537	/nfs/dbraw/zinc/91/85/37/522918537.db2.gz	CCQOEDUZTWMODN-OAHLLOKOSA-N	-1	0	465.373	3.542	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C	ZINC000033123204	523075898	/nfs/dbraw/zinc/07/58/98/523075898.db2.gz	KURRXUZXCJUARG-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
CCn1cc(Br)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)n1	ZINC000002780261	523310582	/nfs/dbraw/zinc/31/05/82/523310582.db2.gz	DZWNYYRQWBDAAH-UHFFFAOYSA-N	-1	0	464.389	3.788	50	0		JHAARM
CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3c(F)c(F)c(F)c(F)c3F)c2C)c(C)n1	ZINC000002789567	523453770	/nfs/dbraw/zinc/45/37/70/523453770.db2.gz	PAHMXSRAUROJAV-UHFFFAOYSA-N	-1	0	463.432	3.569	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c2c(c1=O)CCCC2	ZINC000046027777	523609762	/nfs/dbraw/zinc/60/97/62/523609762.db2.gz	AEDBPKOILFRQIN-UHFFFAOYSA-N	-1	0	469.563	3.627	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C(=O)[O-])c2)cc1	ZINC000033078642	523751434	/nfs/dbraw/zinc/75/14/34/523751434.db2.gz	QLDDXUKUTDDBAN-UHFFFAOYSA-N	-1	0	489.528	3.697	50	0		JHAARM
C[C@@H](CCc1ccccc1)NC(=O)CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1	ZINC000021653434	524529403	/nfs/dbraw/zinc/52/94/03/524529403.db2.gz	BOHYGMMRKZOUFQ-AWEZNQCLSA-N	-1	0	453.486	3.945	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])CC1	ZINC000033253076	524563486	/nfs/dbraw/zinc/56/34/86/524563486.db2.gz	GFEKUBVIYSHGJY-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)ccc1F	ZINC000018838719	524641547	/nfs/dbraw/zinc/64/15/47/524641547.db2.gz	UESQGSRFZNCSAZ-HNNXBMFYSA-N	-1	0	486.521	3.897	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCCC2)c1	ZINC000033307834	524642597	/nfs/dbraw/zinc/64/25/97/524642597.db2.gz	ZLBKKYYNYMRTLM-UHFFFAOYSA-N	-1	0	474.608	3.742	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)c1	ZINC000033253241	524806913	/nfs/dbraw/zinc/80/69/13/524806913.db2.gz	LLGLMGZLDAAPRD-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c1	ZINC000033307990	524871265	/nfs/dbraw/zinc/87/12/65/524871265.db2.gz	YKXPLMMIHLFVKG-UHFFFAOYSA-N	-1	0	465.535	3.764	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)NC(=O)Cc3cccc4ccccc43)cc2)no1	ZINC000004529323	525286676	/nfs/dbraw/zinc/28/66/76/525286676.db2.gz	BQKCSSFADGRZLX-QGZVFWFLSA-N	-1	0	492.557	3.623	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)c1	ZINC000033307617	526209444	/nfs/dbraw/zinc/20/94/44/526209444.db2.gz	NSWDSQAMRLUMHX-UHFFFAOYSA-N	-1	0	474.608	3.742	50	0		JHAARM
CSc1nc2ccc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2s1	ZINC000012508314	526216674	/nfs/dbraw/zinc/21/66/74/526216674.db2.gz	UTZMNXFLPRQKIR-UHFFFAOYSA-N	-1	0	469.635	3.604	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000033253232	526354090	/nfs/dbraw/zinc/35/40/90/526354090.db2.gz	WLWOHTSCMHAGLL-UHFFFAOYSA-N	-1	0	469.538	3.647	50	0		JHAARM
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1	ZINC000016429981	526359869	/nfs/dbraw/zinc/35/98/69/526359869.db2.gz	KKJFAXGSYKSEJR-UNOMPAQXSA-N	-1	0	465.462	3.990	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)cc2)c1C	ZINC000011915989	526641168	/nfs/dbraw/zinc/64/11/68/526641168.db2.gz	FEJMBBKDJNVNAB-UHFFFAOYSA-N	-1	0	496.501	3.771	50	0		JHAARM
O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCSC[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl	ZINC000036056353	527055215	/nfs/dbraw/zinc/05/52/15/527055215.db2.gz	WIDQGEBCSGTLEG-LAUBAEHRSA-N	-1	0	462.358	3.741	50	0		JHAARM
NC(=O)c1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000006146969	527066423	/nfs/dbraw/zinc/06/64/23/527066423.db2.gz	GXENGOOEFPOKDV-UHFFFAOYSA-N	-1	0	474.336	3.601	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc2c(c1)OCO2)c1cccc2nsnc21	ZINC000002399574	527259275	/nfs/dbraw/zinc/25/92/75/527259275.db2.gz	YVAXXKOHENWXIW-UHFFFAOYSA-N	-1	0	492.542	3.776	50	0		JHAARM
Cc1nn(-c2ccc(-c3ccc(C)cc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000033308140	527518714	/nfs/dbraw/zinc/51/87/14/527518714.db2.gz	UDBCMGGFKLHFST-UHFFFAOYSA-N	-1	0	477.546	3.827	50	0		JHAARM
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000651650	553732914	/nfs/dbraw/zinc/73/29/14/553732914.db2.gz	XHECEPWEIJKYSS-LBPRGKRZSA-N	-1	0	467.334	3.990	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)n1	ZINC000000835991	553791756	/nfs/dbraw/zinc/79/17/56/553791756.db2.gz	SXAPWDALOXEYTP-UHFFFAOYSA-N	-1	0	461.341	3.909	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3F)cc2)n1	ZINC000000945081	553879007	/nfs/dbraw/zinc/87/90/07/553879007.db2.gz	CATUFNUQXBMWCT-UHFFFAOYSA-N	-1	0	465.304	3.740	50	0		JHAARM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)c1	ZINC000001196904	553930985	/nfs/dbraw/zinc/93/09/85/553930985.db2.gz	LNGRAWLUBDIAHH-UHFFFAOYSA-N	-1	0	496.360	3.781	50	0		JHAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(C)c2cc1Cl	ZINC000002115544	554053112	/nfs/dbraw/zinc/05/31/12/554053112.db2.gz	OZOSXSGIJAJOAC-SFHVURJKSA-N	-1	0	475.950	3.809	50	0	biogenic	JHAARM
Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])cc2oc1=O	ZINC000002135283	554061760	/nfs/dbraw/zinc/06/17/60/554061760.db2.gz	LXRUOIZEFNBILZ-RBZFPXEDSA-N	-1	0	498.919	3.830	50	0	biogenic	JHAARM
CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002138562	554063255	/nfs/dbraw/zinc/06/32/55/554063255.db2.gz	NHYDKYOYHCNBLD-ODXCJYRJSA-N	-1	0	498.919	3.775	50	0	biogenic	JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@@H](Cc4ccc(OC)c(OC)c4)O3)cc21	ZINC000002323979	554148455	/nfs/dbraw/zinc/14/84/55/554148455.db2.gz	APYPZMARWLPBIL-HNNXBMFYSA-N	-1	0	456.470	3.629	50	0		JHAARM
O=C(Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1	ZINC000002728834	554313711	/nfs/dbraw/zinc/31/37/11/554313711.db2.gz	FQHGDIWCWSRMPL-UHFFFAOYSA-N	-1	0	491.396	3.900	50	0		JHAARM
CCS(=O)(=O)N1CCC(c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)CC1	ZINC000002730130	554314598	/nfs/dbraw/zinc/31/45/98/554314598.db2.gz	JTCINFPUIIJOQD-UHFFFAOYSA-N	-1	0	485.010	3.848	50	0		JHAARM
Fc1cccc(Cl)c1Cn1ccc([N-]c2nnc(Cc3ccc(-n4cnnn4)cc3)s2)n1	ZINC000002731271	554315591	/nfs/dbraw/zinc/31/55/91/554315591.db2.gz	WBISNFAHKKXGHP-UHFFFAOYSA-N	-1	0	467.921	3.886	50	0		JHAARM
COC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000002814567	554362094	/nfs/dbraw/zinc/36/20/94/554362094.db2.gz	AGFOUNCCDNEZOU-MFOYZWKCSA-N	-1	0	491.905	3.835	50	0		JHAARM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002815247	554362501	/nfs/dbraw/zinc/36/25/01/554362501.db2.gz	NDYDPTKRGKPIDZ-KVMVOAJRSA-N	-1	0	470.503	3.531	50	0		JHAARM
C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)C1	ZINC000003051826	554424062	/nfs/dbraw/zinc/42/40/62/554424062.db2.gz	DJRSZCYEBAEORN-GJZGRUSLSA-N	-1	0	451.548	3.580	50	0		JHAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(Br)cc2)C3=O)cc1	ZINC000006073034	554501300	/nfs/dbraw/zinc/50/13/00/554501300.db2.gz	VYBBHEQQVRDNBN-UHFFFAOYSA-N	-1	0	486.299	3.781	50	0		JHAARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000008424795	554579721	/nfs/dbraw/zinc/57/97/21/554579721.db2.gz	ZBSBYFUTDROFNW-PDGQHHTCSA-N	-1	0	471.856	3.694	50	0		JHAARM
CCOc1ccc(N2C(=O)[C@H]3C(C(=O)c4ccccc4)=NN(c4ccccc4OC)C3=C2[O-])cc1	ZINC000008437792	554588646	/nfs/dbraw/zinc/58/86/46/554588646.db2.gz	IQJNBQQCXJXSGV-LADGPHEKSA-N	-1	0	469.497	3.711	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1	ZINC000008778963	554675737	/nfs/dbraw/zinc/67/57/37/554675737.db2.gz	NBUAJDWFMLMVEY-QGZVFWFLSA-N	-1	0	495.557	3.731	50	0		JHAARM
COc1cccc(CNC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000008826173	554715461	/nfs/dbraw/zinc/71/54/61/554715461.db2.gz	BRKREIJBDHVODQ-UHFFFAOYSA-N	-1	0	488.949	3.623	50	0		JHAARM
CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc(=O)c2c1	ZINC000008845875	554743911	/nfs/dbraw/zinc/74/39/11/554743911.db2.gz	GPJBHJKYFQYPHI-UHFFFAOYSA-N	-1	0	478.530	3.815	50	0		JHAARM
CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000008914784	554807875	/nfs/dbraw/zinc/80/78/75/554807875.db2.gz	LSCLRBHBXHQEAW-BAGYTPMASA-N	-1	0	480.565	3.666	50	0		JHAARM
CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(Br)cc1	ZINC000008920079	554816909	/nfs/dbraw/zinc/81/69/09/554816909.db2.gz	BASDMYFYVQGREX-YOEHRIQHSA-N	-1	0	452.326	3.855	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cc(=O)c4ccccc4o3)ccc2OC)cc1	ZINC000009126903	554921523	/nfs/dbraw/zinc/92/15/23/554921523.db2.gz	CQSYZPPZTDOAKV-UHFFFAOYSA-N	-1	0	480.498	3.863	50	0		JHAARM
O=S(=O)([N-]c1ccc(-c2cn3ccccc3n2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000009219884	554988816	/nfs/dbraw/zinc/98/88/16/554988816.db2.gz	AGMGZCBACWTLES-UHFFFAOYSA-N	-1	0	482.587	3.587	50	0		JHAARM
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1	ZINC000009254896	555030776	/nfs/dbraw/zinc/03/07/76/555030776.db2.gz	NLYRWALWAKQRDN-OAHLLOKOSA-N	-1	0	472.544	3.936	50	0		JHAARM
O=c1/c(=C/c2cc(Br)c([O-])c(I)c2)sc2nc3ccccc3n12	ZINC000009260465	555034942	/nfs/dbraw/zinc/03/49/42/555034942.db2.gz	UGWNGOOMJQPIFL-QPEQYQDCSA-N	-1	0	499.127	3.530	50	0		JHAARM
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-]	ZINC000009284348	555057142	/nfs/dbraw/zinc/05/71/42/555057142.db2.gz	SAMKQSCKBAUKIP-UHFFFAOYSA-N	-1	0	479.411	3.758	50	0		JHAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl	ZINC000009285238	555059406	/nfs/dbraw/zinc/05/94/06/555059406.db2.gz	MPGNNHZMZQIZBX-UHFFFAOYSA-N	-1	0	450.822	3.526	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1C(=O)N1CCOCC1	ZINC000009356153	555120933	/nfs/dbraw/zinc/12/09/33/555120933.db2.gz	OBZKAGABLJLXOD-UHFFFAOYSA-N	-1	0	468.531	3.761	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)OCC(=O)NCC2CCCCC2)c1	ZINC000009373552	555135314	/nfs/dbraw/zinc/13/53/14/555135314.db2.gz	XNJTWWZZKYDDRY-UHFFFAOYSA-N	-1	0	474.579	3.658	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc4c3OC(C)(C)C4)cc2)n1	ZINC000009377871	555139461	/nfs/dbraw/zinc/13/94/61/555139461.db2.gz	RBXIRAXVILTQER-UHFFFAOYSA-N	-1	0	482.562	3.625	50	0		JHAARM
CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)n1	ZINC000009409311	555174111	/nfs/dbraw/zinc/17/41/11/555174111.db2.gz	YXEXDVQDSRLTDJ-UHFFFAOYSA-N	-1	0	478.987	3.702	50	0		JHAARM
Cc1ccc(CNC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccc(C)cc4)c(=O)[nH]c3c2)cc1	ZINC000009429637	555196849	/nfs/dbraw/zinc/19/68/49/555196849.db2.gz	PABIELJMKNOQCZ-UHFFFAOYSA-N	-1	0	462.527	3.613	50	0		JHAARM
Cc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NC4CCCC4)c(O)c3c2)cc1C	ZINC000009490552	555266397	/nfs/dbraw/zinc/26/63/97/555266397.db2.gz	FJJODMYQUARNRU-UHFFFAOYSA-N	-1	0	453.564	3.642	50	0		JHAARM
C[C@H](OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)C(=O)N1CCCCC1	ZINC000009539703	555331495	/nfs/dbraw/zinc/33/14/95/555331495.db2.gz	UMZGFKXJCWQLKC-AWEZNQCLSA-N	-1	0	468.934	3.838	50	0		JHAARM
COc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000009635338	555342488	/nfs/dbraw/zinc/34/24/88/555342488.db2.gz	OVLXEQYOGFTANC-UHFFFAOYSA-N	-1	0	480.542	3.551	50	0		JHAARM
Cn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000013255608	555370233	/nfs/dbraw/zinc/37/02/33/555370233.db2.gz	GLXHKAFUXVGVLB-SFHVURJKSA-N	-1	0	469.954	3.521	50	0		JHAARM
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000013260070	555370838	/nfs/dbraw/zinc/37/08/38/555370838.db2.gz	OZJZZTSTRPPNSU-QHCPKHFHSA-N	-1	0	483.590	3.547	50	0		JHAARM
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000009579866	555384265	/nfs/dbraw/zinc/38/42/65/555384265.db2.gz	DJFOLXOALABVCB-UHFFFAOYSA-N	-1	0	477.637	3.615	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Nc2ccccc2)s1	ZINC000013395276	555394715	/nfs/dbraw/zinc/39/47/15/555394715.db2.gz	SPKQGPARKHEPRZ-QGZVFWFLSA-N	-1	0	453.549	3.667	50	0		JHAARM
CCOCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000009696428	555425489	/nfs/dbraw/zinc/42/54/89/555425489.db2.gz	AXMFTAFFDMMRHC-UHFFFAOYSA-N	-1	0	470.551	3.562	50	0		JHAARM
O=C(NC[C@@H](O)c1ccccc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000013690023	555583860	/nfs/dbraw/zinc/58/38/60/555583860.db2.gz	COAHJAHKXSBBTJ-LJQANCHMSA-N	-1	0	453.545	3.561	50	0		JHAARM
O=C(CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)Nc1ccc(F)c(Cl)c1	ZINC000010272422	555665966	/nfs/dbraw/zinc/66/59/66/555665966.db2.gz	VYTNCDDDEKIDAJ-UHFFFAOYSA-N	-1	0	488.349	3.779	50	0		JHAARM
CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)c1	ZINC000010272764	555667025	/nfs/dbraw/zinc/66/70/25/555667025.db2.gz	HWTCECMWICFLPY-UHFFFAOYSA-N	-1	0	463.968	3.549	50	0		JHAARM
COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)cc1	ZINC000014137636	555704535	/nfs/dbraw/zinc/70/45/35/555704535.db2.gz	RBUYHAQUHVROAJ-DEOSSOPVSA-N	-1	0	493.520	3.655	50	0		JHAARM
CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cc(C)ccc2C)c(=O)[n-]1	ZINC000020355861	555784934	/nfs/dbraw/zinc/78/49/34/555784934.db2.gz	RZDGDANNMXYEGL-UHFFFAOYSA-N	-1	0	457.577	3.513	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1NCc1ccc(-n2cccn2)nc1)c1ccccc1	ZINC000014313871	555794444	/nfs/dbraw/zinc/79/44/44/555794444.db2.gz	HFGBHHVMLTWSBV-UHFFFAOYSA-N	-1	0	457.519	3.623	50	0		JHAARM
Cc1cc(NC(=O)COc2cccc(C)c2)n(-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[n-]2)n1	ZINC000011695397	555802194	/nfs/dbraw/zinc/80/21/94/555802194.db2.gz	UCCYWZXCFCZSMS-UHFFFAOYSA-N	-1	0	469.505	3.650	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NC[C@H]2CCCO2)cc1	ZINC000011695904	555803012	/nfs/dbraw/zinc/80/30/12/555803012.db2.gz	YRERFXFVJVYXFO-GOSISDBHSA-N	-1	0	471.604	3.605	50	0		JHAARM
O=C(Nc1cccc(C(F)(F)F)c1)c1cncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000020532772	555803552	/nfs/dbraw/zinc/80/35/52/555803552.db2.gz	CMIBWKGESLGBGW-UHFFFAOYSA-N	-1	0	479.436	3.925	50	0		JHAARM
CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-]	ZINC000011866815	555842820	/nfs/dbraw/zinc/84/28/20/555842820.db2.gz	SYCBFDXELFTHCS-CMJOXMDJSA-N	-1	0	451.519	3.995	50	0		JHAARM
O=C([C@H]1COc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)ccc2O1)N1CCCCC1	ZINC000020603027	555844090	/nfs/dbraw/zinc/84/40/90/555844090.db2.gz	LXDHMWDPJCXFGS-LJQANCHMSA-N	-1	0	470.469	3.659	50	0		JHAARM
O=C(NCc1cccs1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O	ZINC000020645486	555846601	/nfs/dbraw/zinc/84/66/01/555846601.db2.gz	XZANDFOEUXKOSU-UHFFFAOYSA-N	-1	0	451.529	3.828	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883361	555856812	/nfs/dbraw/zinc/85/68/12/555856812.db2.gz	BUZBQNDUSXSPDE-QGZVFWFLSA-N	-1	0	484.553	3.743	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(C)cc1)CN(C(=O)CCC(F)(F)F)CC2	ZINC000011912291	555860622	/nfs/dbraw/zinc/86/06/22/555860622.db2.gz	XKDZRUTZZOKOKE-UHFFFAOYSA-N	-1	0	490.525	3.871	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccs1	ZINC000012180604	555934961	/nfs/dbraw/zinc/93/49/61/555934961.db2.gz	XXOVWXXNNBCJTF-UHFFFAOYSA-N	-1	0	452.554	3.830	50	0		JHAARM
O=C([O-])c1cccc(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccccc3)CC2)c1	ZINC000022640680	555940406	/nfs/dbraw/zinc/94/04/06/555940406.db2.gz	VNIZGNRBUVMCJI-UHFFFAOYSA-N	-1	0	464.543	3.746	50	0		JHAARM
CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C	ZINC000015722365	555957139	/nfs/dbraw/zinc/95/71/39/555957139.db2.gz	BUYLKVIICSUHDX-GOTSBHOMSA-N	-1	0	480.561	3.988	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc6c(c5)CCC6)c(=O)c3=4)n2)cc1	ZINC000023126566	556015797	/nfs/dbraw/zinc/01/57/97/556015797.db2.gz	IFAHPKJYVYFKJP-FGZHOGPDSA-N	-1	0	472.505	3.506	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1	ZINC000012548570	556026860	/nfs/dbraw/zinc/02/68/60/556026860.db2.gz	DLUTZUAELYIVHD-MRXNPFEDSA-N	-1	0	456.520	3.916	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)c1	ZINC000012552204	556034978	/nfs/dbraw/zinc/03/49/78/556034978.db2.gz	JJRJCNPMLUMNGC-VWLOTQADSA-N	-1	0	495.601	3.818	50	0		JHAARM
O=C(CCn1c(=O)c2ccc(Cl)cc2[n-]c1=S)N1CCC[C@@H]1c1ccc2c(c1)OCCO2	ZINC000023884911	556098849	/nfs/dbraw/zinc/09/88/49/556098849.db2.gz	WKXWCOSZCAMYEV-GOSISDBHSA-N	-1	0	471.966	3.864	50	0		JHAARM
CCCc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(CC(=O)OCc2ccccc2)C1=O	ZINC000016534203	556142760	/nfs/dbraw/zinc/14/27/60/556142760.db2.gz	VRFMPMVUVGOBHG-BKUYFWCQSA-N	-1	0	494.935	3.820	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1[O-]	ZINC000012973125	556164928	/nfs/dbraw/zinc/16/49/28/556164928.db2.gz	YZUXWCOIBJNQOH-UHFFFAOYSA-N	-1	0	460.895	3.505	50	0		JHAARM
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC000025526720	556219385	/nfs/dbraw/zinc/21/93/85/556219385.db2.gz	WIJWIVGXBNHGHG-GJZGRUSLSA-N	-1	0	467.385	3.808	50	0		JHAARM
COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2cccc(C)c2C)c(=O)[n-]1	ZINC000017135712	556222663	/nfs/dbraw/zinc/22/26/63/556222663.db2.gz	RVZXVIRWORZPPF-UHFFFAOYSA-N	-1	0	499.531	3.658	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1	ZINC000025638659	556228398	/nfs/dbraw/zinc/22/83/98/556228398.db2.gz	ATAKSCSQWAAHGK-UHFFFAOYSA-N	-1	0	472.636	3.820	50	0		JHAARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000013053488	556250138	/nfs/dbraw/zinc/25/01/38/556250138.db2.gz	ASTWSANYAMQMDG-UHFFFAOYSA-N	-1	0	457.502	3.728	50	0		JHAARM
O=C([O-])c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1	ZINC000013097832	556295464	/nfs/dbraw/zinc/29/54/64/556295464.db2.gz	ZMGXRDPSPPELKT-UHFFFAOYSA-N	-1	0	459.549	3.902	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)cc2)n1	ZINC000027749646	556305515	/nfs/dbraw/zinc/30/55/15/556305515.db2.gz	YSGIQCBRNFPECO-OAHLLOKOSA-N	-1	0	491.529	3.817	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)cc1	ZINC000019622352	556357960	/nfs/dbraw/zinc/35/79/60/556357960.db2.gz	OPTUBKHUNQLGNK-QHCPKHFHSA-N	-1	0	480.542	3.673	50	0		JHAARM
O=C([O-])[C@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(C(=O)c2ccco2)CC1	ZINC000032094093	556415089	/nfs/dbraw/zinc/41/50/89/556415089.db2.gz	BUFXVZDNHVWOCA-DEOSSOPVSA-N	-1	0	459.502	3.924	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2F)c1	ZINC000032946854	556561915	/nfs/dbraw/zinc/56/19/15/556561915.db2.gz	PSYKENHDPXHXDK-UHFFFAOYSA-N	-1	0	494.498	3.676	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000032961898	556579604	/nfs/dbraw/zinc/57/96/04/556579604.db2.gz	BTWPWAMTHKVDFE-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2C)CC1	ZINC000032961929	556579993	/nfs/dbraw/zinc/57/99/93/556579993.db2.gz	XZBHUUVKODPJLZ-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)c1	ZINC000032962017	569602731	/nfs/dbraw/zinc/60/27/31/569602731.db2.gz	UQUNWEKAUKSACG-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
CCS(=O)(=O)Nc1ccc2nc(N3CCN(c4cc(C)ccc4C)CC3)cc(C(=O)[O-])c2c1	ZINC000032985165	569608313	/nfs/dbraw/zinc/60/83/13/569608313.db2.gz	YGNBKTCAKUHVKK-UHFFFAOYSA-N	-1	0	468.579	3.638	50	0		JHAARM
O=S(=O)([N-]c1cnn(Cc2cccnc2)c1)c1cc(Br)ccc1Br	ZINC000062606406	569612874	/nfs/dbraw/zinc/61/28/74/569612874.db2.gz	OWLDKBIBHZRAKE-UHFFFAOYSA-N	-1	0	472.162	3.652	50	0		JHAARM
O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)ccc1NC(=O)c1cccc(Cl)c1	ZINC000064589129	569620870	/nfs/dbraw/zinc/62/08/70/569620870.db2.gz	DRYRGLCBBBHFEC-UHFFFAOYSA-N	-1	0	451.914	3.797	50	0		JHAARM
CC(C)(C)C(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1C(=O)[O-]	ZINC000064589995	569621196	/nfs/dbraw/zinc/62/11/96/569621196.db2.gz	AQDFBBMEDQJASD-UHFFFAOYSA-N	-1	0	472.973	3.784	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O	ZINC000064774916	569627186	/nfs/dbraw/zinc/62/71/86/569627186.db2.gz	PJNMEOABOJLCHC-UHFFFAOYSA-N	-1	0	459.478	3.910	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccn3)c(C)n2C)sc1C(=O)N1CCC(C)CC1	ZINC000065036204	569653194	/nfs/dbraw/zinc/65/31/94/569653194.db2.gz	WTBLWFONKXKIJN-UHFFFAOYSA-N	-1	0	487.651	4.142	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Oc3ncccc3C(=O)NC(C)C)c2)c1	ZINC000065059713	569654813	/nfs/dbraw/zinc/65/48/13/569654813.db2.gz	PGUYLHSXNVMEHP-UHFFFAOYSA-N	-1	0	471.535	3.830	50	0		JHAARM
O=C(CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O)NCCc1ccccn1	ZINC000034763119	569658076	/nfs/dbraw/zinc/65/80/76/569658076.db2.gz	GJCSBUWIZJBVPQ-UHFFFAOYSA-N	-1	0	473.508	3.649	50	0		JHAARM
CC[C@H](C)Oc1cccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)c1	ZINC000034765154	569658250	/nfs/dbraw/zinc/65/82/50/569658250.db2.gz	XLVSSPBGXOSYHD-KRWDZBQOSA-N	-1	0	450.539	3.722	50	0		JHAARM
CC(C)COc1ccc(-c2nnc(CCC(=O)N3CCN(Cc4ccccc4)CC3)c(=O)[n-]2)cc1	ZINC000034763930	569658264	/nfs/dbraw/zinc/65/82/64/569658264.db2.gz	CXQZALYCRATDBQ-UHFFFAOYSA-N	-1	0	475.593	3.556	50	0		JHAARM
CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3cccc(OC)c3)c(OC)c2)[n-]c1=O	ZINC000034766725	569658618	/nfs/dbraw/zinc/65/86/18/569658618.db2.gz	LYPOAZLXEZKONQ-INIZCTEOSA-N	-1	0	466.538	3.688	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000065116608	569666529	/nfs/dbraw/zinc/66/65/29/569666529.db2.gz	DATYQGFCUUQHGB-UHFFFAOYSA-N	-1	0	450.517	3.591	50	0		JHAARM
Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1	ZINC000065318904	569673222	/nfs/dbraw/zinc/67/32/22/569673222.db2.gz	URMVFURSERCTEM-UHFFFAOYSA-N	-1	0	461.931	3.520	50	0		JHAARM
CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000035397375	569688125	/nfs/dbraw/zinc/68/81/25/569688125.db2.gz	BHGXHLZRUXJBQL-UHFFFAOYSA-N	-1	0	456.362	3.970	50	0		JHAARM
CCc1ccc(S(=O)(=O)Nc2cnc(N(C)CCc3c(C)nn(CC)c3C)c(C(=O)[O-])c2)cc1	ZINC000035397869	569688575	/nfs/dbraw/zinc/68/85/75/569688575.db2.gz	DQRGBKXYDGLCFR-UHFFFAOYSA-N	-1	0	485.610	3.655	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1	ZINC000035399017	569689381	/nfs/dbraw/zinc/68/93/81/569689381.db2.gz	DCZCLSJUEYWQEW-UHFFFAOYSA-N	-1	0	499.633	3.814	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1	ZINC000089614070	569719142	/nfs/dbraw/zinc/71/91/42/569719142.db2.gz	MOQOVOIUIDNGSO-UHFFFAOYSA-N	-1	0	468.531	3.908	50	0		JHAARM
CCN(CC)C1=C(c2c(C)[n-]n(-c3ccc(OC)cc3)c2=O)C(=O)N(c2cc(C)ccc2OC)C1=O	ZINC000035960785	569736579	/nfs/dbraw/zinc/73/65/79/569736579.db2.gz	GFYIKSAGTXZHRJ-UHFFFAOYSA-N	-1	0	490.560	3.838	50	0		JHAARM
Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(Cl)ccc34)CC2)c(C)c1	ZINC000036360714	569772718	/nfs/dbraw/zinc/77/27/18/569772718.db2.gz	QIUUYILZPXIRSA-QHCPKHFHSA-N	-1	0	455.942	3.944	50	0		JHAARM
COc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc(Br)cc4)[C@@H]3c3cccnc3)C2=O)cc1	ZINC000100880379	569774155	/nfs/dbraw/zinc/77/41/55/569774155.db2.gz	FFBHEJYHCCZFAR-NJYVYQBISA-N	-1	0	480.318	3.904	50	0		JHAARM
CC[C@@H](C)[C@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000036569750	569776711	/nfs/dbraw/zinc/77/67/11/569776711.db2.gz	FSYSBSSTDIDPFK-PXAZEXFGSA-N	-1	0	468.000	3.887	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262763	569788383	/nfs/dbraw/zinc/78/83/83/569788383.db2.gz	IVGIXUSUFGFRFC-MOPGFXCFSA-N	-1	0	482.422	3.738	50	0		JHAARM
CCCCn1c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(Br)cc3)C2)c([O-])[nH]c1=S	ZINC000101456019	569798275	/nfs/dbraw/zinc/79/82/75/569798275.db2.gz	KYJIUAGIHOGRLL-HNNXBMFYSA-N	-1	0	465.373	3.872	50	0		JHAARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101495175	569800325	/nfs/dbraw/zinc/80/03/25/569800325.db2.gz	SYLXQHGDJYXCME-INIZCTEOSA-N	-1	0	458.337	3.900	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cccc(Br)c2)cc1	ZINC000101836073	569805888	/nfs/dbraw/zinc/80/58/88/569805888.db2.gz	OABRGZIPZZZGPN-GOSISDBHSA-N	-1	0	469.295	3.890	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101893793	569807710	/nfs/dbraw/zinc/80/77/10/569807710.db2.gz	MZMONPCCELJBHQ-IAGOWNOFSA-N	-1	0	456.384	3.557	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101893782	569807713	/nfs/dbraw/zinc/80/77/13/569807713.db2.gz	MZMONPCCELJBHQ-SJORKVTESA-N	-1	0	456.384	3.557	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C	ZINC000102289367	569811901	/nfs/dbraw/zinc/81/19/01/569811901.db2.gz	BQJBBUMKFKWBFI-KDURUIRLSA-N	-1	0	456.564	3.870	50	0		JHAARM
COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1ccc(Br)cc1	ZINC000102901161	569826637	/nfs/dbraw/zinc/82/66/37/569826637.db2.gz	MVGQJZDIZXCGNE-QGZVFWFLSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1ccc(OC)c([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)c1	ZINC000049543270	569848402	/nfs/dbraw/zinc/84/84/02/569848402.db2.gz	WBNBKWVMCJHXNE-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N3)c1	ZINC000049543101	569848431	/nfs/dbraw/zinc/84/84/31/569848431.db2.gz	WEWGWYJQOAAITR-OAHLLOKOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
O=C([O-])c1ccc(NC(=O)Cn2nnc3c2c(-c2ccccc2)nnc3-c2ccccc2)cc1	ZINC000051330580	569851976	/nfs/dbraw/zinc/85/19/76/569851976.db2.gz	ZZHYCQAGMOJMRY-UHFFFAOYSA-N	-1	0	450.458	3.892	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Br)C[C@H]1C(=O)[O-]	ZINC000169725671	569871597	/nfs/dbraw/zinc/87/15/97/569871597.db2.gz	BSVUJOUBQJYKHZ-ZDUSSCGKSA-N	-1	0	453.255	3.978	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4C[C@H](C)C[C@H](C)[C@@H]43)C2=O)cc1	ZINC000248134837	570075122	/nfs/dbraw/zinc/07/51/22/570075122.db2.gz	MHYIXUUGVOGOGQ-XSRDSEMUSA-N	-1	0	451.498	3.511	50	0		JHAARM
O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252444376	570080766	/nfs/dbraw/zinc/08/07/66/570080766.db2.gz	NKHPKUWUFDZUQS-JCNLHEQBSA-N	-1	0	451.475	3.552	50	0	biogenic	JHAARM
Cc1cc(=O)oc2c3c(cc(OCC(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)c12)OC(C)(C)CC3	ZINC000252694592	570094810	/nfs/dbraw/zinc/09/48/10/570094810.db2.gz	MYFWYMUMGWMICB-WKILWMFISA-N	-1	0	457.523	3.591	50	0	biogenic	JHAARM
COc1ccc(CCNC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471131	570099135	/nfs/dbraw/zinc/09/91/35/570099135.db2.gz	MEKGFZXVUIHEBK-FQEVSTJZSA-N	-1	0	497.544	3.569	50	0		JHAARM
COc1ccc([C@H](CC(=O)NCc2ccc3c(c2)OCO3)c2c([O-])c3ccccc3oc2=O)cc1O	ZINC000253471172	570099316	/nfs/dbraw/zinc/09/93/16/570099316.db2.gz	NILGZPYBEPMKHH-SFHVURJKSA-N	-1	0	489.480	3.780	50	0		JHAARM
COc1cc([C@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471594	570099429	/nfs/dbraw/zinc/09/94/29/570099429.db2.gz	VTECIFNNFWVDJG-KRWDZBQOSA-N	-1	0	457.454	3.979	50	0		JHAARM
O=S(=O)([N-]NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(Br)cc1	ZINC000001117430	194030894	/nfs/dbraw/zinc/03/08/94/194030894.db2.gz	NRJCMZJMQBSMMJ-UHFFFAOYSA-N	-1	0	454.293	3.648	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)n1	ZINC000001128468	194037869	/nfs/dbraw/zinc/03/78/69/194037869.db2.gz	GEWNGQHCHFCZFX-GOSISDBHSA-N	-1	0	454.552	3.917	50	0		JHAARM
CC1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2Br)CC1	ZINC000001136582	194042211	/nfs/dbraw/zinc/04/22/11/194042211.db2.gz	QDIFXFVWBUBURA-UHFFFAOYSA-N	-1	0	481.368	3.820	50	0		JHAARM
CC(NCc1ccccc1Br)=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000001407430	194116110	/nfs/dbraw/zinc/11/61/10/194116110.db2.gz	FFQDJCYPFCBHRD-LFIBNONCSA-N	-1	0	493.155	3.858	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(OC)n1	ZINC000001515887	194127362	/nfs/dbraw/zinc/12/73/62/194127362.db2.gz	POONGHACKXENIX-UHFFFAOYSA-N	-1	0	483.333	3.854	50	0		JHAARM
CCc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001782177	194139192	/nfs/dbraw/zinc/13/91/92/194139192.db2.gz	FEGRICRXWLLHQI-YADHBBJMSA-N	-1	0	461.470	3.723	50	0		JHAARM
O=C([O-])[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	ZINC000001786955	194140046	/nfs/dbraw/zinc/14/00/46/194140046.db2.gz	HFGXHQKOJOFFOH-WOJBJXKFSA-N	-1	0	467.861	3.814	50	0		JHAARM
CC[C@H](C)[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-]	ZINC000001749966	194134091	/nfs/dbraw/zinc/13/40/91/194134091.db2.gz	HJACLWZCFFWBIQ-ODCWNRFASA-N	-1	0	495.528	3.924	50	0		JHAARM
Cc1oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000001749959	194134219	/nfs/dbraw/zinc/13/42/19/194134219.db2.gz	DVEGGVCIIJGHFQ-FQEVSTJZSA-N	-1	0	495.528	3.924	50	0		JHAARM
Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cc(=O)c2cc1Cl	ZINC000002340785	194160017	/nfs/dbraw/zinc/16/00/17/194160017.db2.gz	PIQJDUMPZGLQCE-UHFFFAOYSA-N	-1	0	470.894	3.598	50	0		JHAARM
COc1ccc(-c2nnc(SCC(=O)N3CCC(C(=O)[O-])CC3)n2CCc2ccccc2)cc1	ZINC000003320293	194280616	/nfs/dbraw/zinc/28/06/16/194280616.db2.gz	IRAOQYDYSFJTOX-UHFFFAOYSA-N	-1	0	480.590	3.612	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@@H](c1cc(Br)c(O)c(OC)c1)N(C)C2=O	ZINC000004100654	194377615	/nfs/dbraw/zinc/37/76/15/194377615.db2.gz	ODIQHYXIRGUGSQ-RBUKOAKNSA-N	-1	0	494.338	3.956	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000004522146	194391629	/nfs/dbraw/zinc/39/16/29/194391629.db2.gz	MKBWSKAVMHFVBD-HJPURHCSSA-N	-1	0	495.605	3.677	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(OC[C@H]2CCCO2)cc1	ZINC000004647234	194393267	/nfs/dbraw/zinc/39/32/67/194393267.db2.gz	RFCJYCSOTDFIKE-GOSISDBHSA-N	-1	0	459.549	3.754	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1	ZINC000009043369	194509171	/nfs/dbraw/zinc/50/91/71/194509171.db2.gz	XZOHOMINNVEDTD-UHFFFAOYSA-N	-1	0	473.963	3.592	50	0		JHAARM
O=C(NCCc1ccccc1)c1ccc2c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1	ZINC000009429698	194772951	/nfs/dbraw/zinc/77/29/51/194772951.db2.gz	BYKDWTGQMVZIKN-UHFFFAOYSA-N	-1	0	482.945	3.692	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000009835988	194987033	/nfs/dbraw/zinc/98/70/33/194987033.db2.gz	CRFLPKDXODINNQ-ZEQRLZLVSA-N	-1	0	485.500	3.810	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012605619	195051339	/nfs/dbraw/zinc/05/13/39/195051339.db2.gz	MBKODTFJEYBAJL-UHFFFAOYSA-N	-1	0	450.513	3.744	50	0		JHAARM
Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)o2)cc1	ZINC000012762844	195111941	/nfs/dbraw/zinc/11/19/41/195111941.db2.gz	IEQPSNXBTFNGGI-UHFFFAOYSA-N	-1	0	469.548	3.874	50	0		JHAARM
COc1c(F)c(F)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(Cl)c2)c(F)c1F	ZINC000012799669	195138656	/nfs/dbraw/zinc/13/86/56/195138656.db2.gz	XGEXCNNUQYCXCR-UHFFFAOYSA-N	-1	0	452.813	3.833	50	0		JHAARM
Cc1c(C)c2c(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc3c(c2oc1=O)CCC(C)(C)O3	ZINC000012890764	195172806	/nfs/dbraw/zinc/17/28/06/195172806.db2.gz	KSVIRFPCRPCERS-IBGZPJMESA-N	-1	0	479.529	3.704	50	0	biogenic	JHAARM
O=S(=O)([N-]c1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1)c1ccccc1F	ZINC000021358791	195298438	/nfs/dbraw/zinc/29/84/38/195298438.db2.gz	FIXXVWUSENXTEA-UHFFFAOYSA-N	-1	0	453.451	3.996	50	0		JHAARM
CC(C)(C)c1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)NCC(=O)[O-])cc1	ZINC000002060178	519013659	/nfs/dbraw/zinc/01/36/59/519013659.db2.gz	KFICXNFMUSPPMO-LDADJPATSA-N	-1	0	459.340	3.718	50	0		JHAARM
CC(=O)Nc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C2(C(=O)NC3CCCC3)CC2)cc1	ZINC000033274584	519714242	/nfs/dbraw/zinc/71/42/42/519714242.db2.gz	MXMIPIWBTFXRBD-UHFFFAOYSA-N	-1	0	455.580	3.845	50	0		JHAARM
CCOc1ccc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1OC	ZINC000025423421	520845523	/nfs/dbraw/zinc/84/55/23/520845523.db2.gz	GTIRFWFKZHVGMX-SSZFMOIBSA-N	-1	0	451.566	3.955	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)NCc2cccs2)cc1	ZINC000016680143	521208274	/nfs/dbraw/zinc/20/82/74/521208274.db2.gz	PJEDDIKSYQEUDL-UHFFFAOYSA-N	-1	0	476.576	3.895	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1C(=O)[O-]	ZINC000033253801	521669315	/nfs/dbraw/zinc/66/93/15/521669315.db2.gz	NQGQUHRDDAJOMQ-UHFFFAOYSA-N	-1	0	472.567	3.746	50	0		JHAARM
COc1cc(/C=C\C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc(OC)c1OC	ZINC000033374977	521979451	/nfs/dbraw/zinc/97/94/51/521979451.db2.gz	LIFPERBZIXQFTD-WDZFZDKYSA-N	-1	0	487.534	3.770	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c1)NC(=O)CCC2=O	ZINC000033276743	522706386	/nfs/dbraw/zinc/70/63/86/522706386.db2.gz	QMUBTKHGWJEXIF-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(C)c3)c1)NC(=O)CCC2=O	ZINC000033276766	522706484	/nfs/dbraw/zinc/70/64/84/522706484.db2.gz	MRUOCPANHHMYFM-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
COc1cc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc(OC)c1OC	ZINC000022610014	522914773	/nfs/dbraw/zinc/91/47/73/522914773.db2.gz	RTRQSKXQCQLBDV-FQEVSTJZSA-N	-1	0	499.568	3.573	50	0		JHAARM
COc1cc([C@H](CC(=O)[O-])CC(=O)CNc2ccc3c(c2)OCCCO3)cc(OC)c1OC	ZINC000008618164	522949956	/nfs/dbraw/zinc/94/99/56/522949956.db2.gz	IAQJODXIGSFUHT-HNNXBMFYSA-N	-1	0	459.495	3.503	50	0		JHAARM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(I)c1OCc1ccccc1	ZINC000015685931	522963506	/nfs/dbraw/zinc/96/35/06/522963506.db2.gz	CQKDPIIHOFOIQX-YOEHRIQHSA-N	-1	0	471.316	3.667	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl	ZINC000002146175	523226148	/nfs/dbraw/zinc/22/61/48/523226148.db2.gz	FJFYYNDGTUFNEP-CYBMUJFWSA-N	-1	0	487.969	3.871	50	0		JHAARM
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)[O-])CC[C@]2(CO2)[C@@H]1[C@]1(C)O[C@@H]1CC=C(C)C	ZINC000028523166	523787386	/nfs/dbraw/zinc/78/73/86/523787386.db2.gz	NGGMYCMLYOUNGM-BUCFELDBSA-N	-1	0	458.551	3.915	50	0	biogenic,in-vitro	JHAARM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)c1	ZINC000033265751	524253568	/nfs/dbraw/zinc/25/35/68/524253568.db2.gz	YJFRVZPPDBXYNH-UHFFFAOYSA-N	-1	0	479.558	3.756	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253019	524324574	/nfs/dbraw/zinc/32/45/74/524324574.db2.gz	DMHBFDZRBGRNLD-UHFFFAOYSA-N	-1	0	480.590	3.832	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)N(C)C)cc1	ZINC000015690750	524646119	/nfs/dbraw/zinc/64/61/19/524646119.db2.gz	SEBBTNHFAZEYRY-JOCHJYFZSA-N	-1	0	483.590	3.537	50	0		JHAARM
Cc1ccccc1C(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C(=O)[O-]	ZINC000021886013	525064342	/nfs/dbraw/zinc/06/43/42/525064342.db2.gz	NFKFOSBSOHBJIT-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253046	525083843	/nfs/dbraw/zinc/08/38/43/525083843.db2.gz	NQXIYYRINMIISK-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc(SC(C)C)ncc3Cl)cc2)n1	ZINC000008606767	525697918	/nfs/dbraw/zinc/69/79/18/525697918.db2.gz	IMSDVHOMVCQNRT-UHFFFAOYSA-N	-1	0	478.987	3.782	50	0		JHAARM
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000006088864	525951045	/nfs/dbraw/zinc/95/10/45/525951045.db2.gz	UWQWXIXOLZEEJH-IZZDOVSWSA-N	-1	0	458.590	3.779	50	0		JHAARM
COc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2C)c1	ZINC000024590876	526173197	/nfs/dbraw/zinc/17/31/97/526173197.db2.gz	FFTRFOLGZWNOLS-UHFFFAOYSA-N	-1	0	497.573	3.524	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)cn2CC(=O)N2CCCC2)n1	ZINC000033307520	526300212	/nfs/dbraw/zinc/30/02/12/526300212.db2.gz	RQILXTZTENJHFB-UHFFFAOYSA-N	-1	0	465.000	3.997	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)cnc1N1CCC[C@H](C[NH+]2CCCC2)C1	ZINC000035397842	526353760	/nfs/dbraw/zinc/35/37/60/526353760.db2.gz	HBOWJURXAVBADO-MRXNPFEDSA-N	-1	0	479.002	3.546	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCCc2ccccc21	ZINC000003269610	526917108	/nfs/dbraw/zinc/91/71/08/526917108.db2.gz	WISACWDNYFPDEK-UHFFFAOYSA-N	-1	0	456.545	3.685	50	0		JHAARM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(I)c2)N1	ZINC000033153862	527047125	/nfs/dbraw/zinc/04/71/25/527047125.db2.gz	CMKRHMLCJIRIBL-RIYZIHGNSA-N	-1	0	499.102	3.813	50	0		JHAARM
[O-]c1c([C@@H](c2ccc(Cl)cc2Cl)N2CCN(CCO)CC2)sc2nc(-c3ccco3)nn12	ZINC000022795434	527553597	/nfs/dbraw/zinc/55/35/97/527553597.db2.gz	NYTGUIRZZJBETG-QGZVFWFLSA-N	-1	0	494.404	3.763	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000013578985	527573324	/nfs/dbraw/zinc/57/33/24/527573324.db2.gz	LLWZKCYIVRYFAT-UHFFFAOYSA-N	-1	0	472.803	3.958	50	0		JHAARM
O=C([O-])CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](Cc2ccccc2)C1=O	ZINC000014632706	527609423	/nfs/dbraw/zinc/60/94/23/527609423.db2.gz	CIHGDYQPEAZKDG-VWLOTQADSA-N	-1	0	470.525	3.776	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1	ZINC000033254073	527621282	/nfs/dbraw/zinc/62/12/82/527621282.db2.gz	FOGVJGMXQBODPP-UHFFFAOYSA-N	-1	0	470.595	3.913	50	0		JHAARM
CC[C@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2CC)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000096317861	536113685	/nfs/dbraw/zinc/11/36/85/536113685.db2.gz	IXJMWIQJIUBOSI-ZDUSSCGKSA-N	-1	0	480.587	3.763	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000000707521	553764433	/nfs/dbraw/zinc/76/44/33/553764433.db2.gz	ZFSSEWGJMYXACM-KCPLEYNQSA-N	-1	0	495.409	3.872	50	0		JHAARM
COc1ccc(-n2c(=O)c(Cc3ccccc3)c([O-])nc2SCC(=O)N2CCCCC2)cc1	ZINC000000717137	553769271	/nfs/dbraw/zinc/76/92/71/553769271.db2.gz	OWFXDKAGJLIJRD-UHFFFAOYSA-N	-1	0	465.575	3.642	50	0		JHAARM
CC(C)C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N1C(=O)c2ccccc2C1=O	ZINC000000791086	553781802	/nfs/dbraw/zinc/78/18/02/553781802.db2.gz	VWCHRQOCLFHLAH-OAQYLSRUSA-N	-1	0	492.557	3.532	50	0		JHAARM
CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)[O-])ccc2C)c1	ZINC000000866180	553805604	/nfs/dbraw/zinc/80/56/04/553805604.db2.gz	JBNKKWKTJBZAPX-UHFFFAOYSA-N	-1	0	452.488	3.949	50	0		JHAARM
COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1OC	ZINC000000878791	553814764	/nfs/dbraw/zinc/81/47/64/553814764.db2.gz	ZHEHHFBUMBLNPM-WUXMJOGZSA-N	-1	0	468.535	3.563	50	0		JHAARM
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c(Br)c1	ZINC000000958054	553884531	/nfs/dbraw/zinc/88/45/31/553884531.db2.gz	ISHGNETXHHRLQC-UHFFFAOYSA-N	-1	0	476.352	3.971	50	0		JHAARM
CCc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(C)c2oc1=O	ZINC000002133253	554060933	/nfs/dbraw/zinc/06/09/33/554060933.db2.gz	FXNWWLOBYBKRAG-QRQCRPRQSA-N	-1	0	492.528	3.739	50	0	biogenic	JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)c1C	ZINC000002212798	554096367	/nfs/dbraw/zinc/09/63/67/554096367.db2.gz	NUCMVWFEXSEGDX-UHFFFAOYSA-N	-1	0	458.521	3.964	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)n1	ZINC000002367455	554168594	/nfs/dbraw/zinc/16/85/94/554168594.db2.gz	NQZGFTZFWVJWEV-LFYBBSHMSA-N	-1	0	485.566	3.560	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(Br)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000002502280	554229656	/nfs/dbraw/zinc/22/96/56/554229656.db2.gz	RCYDNKZMUKJSCE-ZENOOKHLSA-N	-1	0	463.275	3.957	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccccc21	ZINC000002634857	554255589	/nfs/dbraw/zinc/25/55/89/554255589.db2.gz	BRJOJVXEBUGCJN-UHFFFAOYSA-N	-1	0	470.934	3.887	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1	ZINC000002654722	554270375	/nfs/dbraw/zinc/27/03/75/554270375.db2.gz	FJHSSQTZVVEVPV-QGZVFWFLSA-N	-1	0	468.531	3.530	50	0		JHAARM
CCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc2c1=O	ZINC000002658026	554272934	/nfs/dbraw/zinc/27/29/34/554272934.db2.gz	DIQGELAMJZLMOB-UHFFFAOYSA-N	-1	0	483.575	3.706	50	0		JHAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2c(Cl)cccc2Cl)n1	ZINC000002804114	554355249	/nfs/dbraw/zinc/35/52/49/554355249.db2.gz	OYKWVWQQSXWXHO-UHFFFAOYSA-N	-1	0	451.286	3.642	50	0		JHAARM
COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002818151	554363200	/nfs/dbraw/zinc/36/32/00/554363200.db2.gz	DPLIRFKSBJFEEF-FQKZPNAISA-N	-1	0	465.289	3.947	50	0		JHAARM
CCN(CCCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)c1ccccc1	ZINC000002974468	554414954	/nfs/dbraw/zinc/41/49/54/554414954.db2.gz	HZMBJJGVSPDKLZ-UHFFFAOYSA-N	-1	0	468.579	3.601	50	0		JHAARM
O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCC(Cc2ccccc2)CC1	ZINC000002975324	554415333	/nfs/dbraw/zinc/41/53/33/554415333.db2.gz	QCIMCWFNJJZHNO-UHFFFAOYSA-N	-1	0	451.548	3.659	50	0		JHAARM
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2[n-]c1=S	ZINC000003051877	554424511	/nfs/dbraw/zinc/42/45/11/554424511.db2.gz	ZFIVZSKKRVRFFR-UHFFFAOYSA-N	-1	0	457.555	3.941	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000006065374	554500932	/nfs/dbraw/zinc/50/09/32/554500932.db2.gz	OOROSBNBMMTPEK-UHFFFAOYSA-N	-1	0	465.936	3.980	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])c3c4c(c(=O)oc23)CCC4)O1	ZINC000008877088	554772285	/nfs/dbraw/zinc/77/22/85/554772285.db2.gz	MDMPBTBVDNWSRE-FQEVSTJZSA-N	-1	0	491.540	3.576	50	0	biogenic	JHAARM
Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)[N-]N3C(=O)NC4(CCC(C)CC4)C3=O)cc12	ZINC000009056415	554874743	/nfs/dbraw/zinc/87/47/43/554874743.db2.gz	WIVJPIPMWWRWRY-UHFFFAOYSA-N	-1	0	465.579	3.908	50	0		JHAARM
O=C(NCCc1ccccc1)c1c(=O)[nH]c2c(Br)cc(Br)cc2c1[O-]	ZINC000009087895	554889773	/nfs/dbraw/zinc/88/97/73/554889773.db2.gz	VPUPFZXRINTLLB-UHFFFAOYSA-N	-1	0	466.129	3.731	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCCC2)cc1C(=O)N1CCCC1	ZINC000009094992	554892644	/nfs/dbraw/zinc/89/26/44/554892644.db2.gz	XWGNNRCWXCZSPW-UHFFFAOYSA-N	-1	0	485.606	3.795	50	0		JHAARM
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000009203043	554973284	/nfs/dbraw/zinc/97/32/84/554973284.db2.gz	NMZIMKHGRBRENV-UHFFFAOYSA-N	-1	0	479.514	3.595	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C	ZINC000009226093	554998714	/nfs/dbraw/zinc/99/87/14/554998714.db2.gz	JLMRLUQFCJWPAD-UHFFFAOYSA-N	-1	0	471.922	3.649	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4cccc(C)c4C)cc3[nH]c2=O)cc1	ZINC000009429662	555196891	/nfs/dbraw/zinc/19/68/91/555196891.db2.gz	ICRRVLIOQUSJQL-UHFFFAOYSA-N	-1	0	478.526	3.944	50	0		JHAARM
CCOc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1cccc(Br)c1	ZINC000009491060	555267751	/nfs/dbraw/zinc/26/77/51/555267751.db2.gz	CEKZTJFJNOVJGS-UHFFFAOYSA-N	-1	0	491.429	3.679	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000009674708	555399922	/nfs/dbraw/zinc/39/99/22/555399922.db2.gz	TXKVGILEUXTYKI-HZPDHXFCSA-N	-1	0	497.136	3.688	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)nc(C)n1	ZINC000009689771	555416770	/nfs/dbraw/zinc/41/67/70/555416770.db2.gz	BCOOOBAJAPKPDK-UHFFFAOYSA-N	-1	0	491.529	3.992	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccc(Cl)cc1	ZINC000013575754	555514680	/nfs/dbraw/zinc/51/46/80/555514680.db2.gz	DHINZMJZSHIVKU-ODLFYWEKSA-N	-1	0	451.866	3.851	50	0		JHAARM
Cc1oc2cc3oc(=O)c(CC(=O)NCC4CCC(C(=O)NCCC(=O)[O-])CC4)c(C)c3cc2c1C	ZINC000013576738	555515859	/nfs/dbraw/zinc/51/58/59/555515859.db2.gz	FPHYQHSVHCVLJC-UHFFFAOYSA-N	-1	0	496.560	3.520	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc1	ZINC000009828616	555526372	/nfs/dbraw/zinc/52/63/72/555526372.db2.gz	RVOGGYYWXBLJTO-UHFFFAOYSA-N	-1	0	458.565	3.700	50	0		JHAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1)OC1(CCCCC1)CC3	ZINC000013624872	555538647	/nfs/dbraw/zinc/53/86/47/555538647.db2.gz	XVUGNEPFFVURAO-GOSISDBHSA-N	-1	0	453.535	3.995	50	0		JHAARM
O=c1/c(=C/c2cc(I)cc(Br)c2[O-])sc2nc3ccccc3n12	ZINC000009846164	555545727	/nfs/dbraw/zinc/54/57/27/555545727.db2.gz	SDGYYUUMVXTEJM-MLPAPPSSSA-N	-1	0	499.127	3.530	50	0		JHAARM
O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1)N1CCC2(CC1)OCCO2	ZINC000013687512	555580863	/nfs/dbraw/zinc/58/08/63/555580863.db2.gz	UJNLFFPHWGHOFY-UHFFFAOYSA-N	-1	0	493.994	3.730	50	0		JHAARM
O=C([O-])CCCCCC[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1NC[C@@H](O)C1CCCCC1	ZINC000013884901	555640972	/nfs/dbraw/zinc/64/09/72/555640972.db2.gz	YZJVWSKJHGEIBL-FCHUYYIVSA-N	-1	0	459.587	3.690	50	0	in-vitro	JHAARM
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1	ZINC000013949457	555659007	/nfs/dbraw/zinc/65/90/07/555659007.db2.gz	WHVLVVHETFXCRO-IAGOWNOFSA-N	-1	0	459.593	3.987	50	0		JHAARM
C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1	ZINC000013949459	555659051	/nfs/dbraw/zinc/65/90/51/555659051.db2.gz	WHVLVVHETFXCRO-CALCHBBNSA-N	-1	0	459.593	3.987	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCCc4ccc(OC)c(OC)c4)c3=O)c2c1	ZINC000020330537	555775899	/nfs/dbraw/zinc/77/58/99/555775899.db2.gz	IWMLKBXZVOOIEC-UHFFFAOYSA-N	-1	0	496.589	3.705	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1	ZINC000020570147	555823187	/nfs/dbraw/zinc/82/31/87/555823187.db2.gz	IJRHXTYLZFFPFV-UHFFFAOYSA-N	-1	0	485.587	3.788	50	0		JHAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1c(C(C)C)cccc1C(C)C	ZINC000011858375	555838166	/nfs/dbraw/zinc/83/81/66/555838166.db2.gz	IHKKFOQSTKXIHZ-UHFFFAOYSA-N	-1	0	480.608	3.809	50	0		JHAARM
Cc1oc2cc(OCC(=O)NCCC(=O)[O-])ccc2c(=O)c1Oc1ccccc1Br	ZINC000011866046	555841109	/nfs/dbraw/zinc/84/11/09/555841109.db2.gz	ZFKSTXOSOGZTJO-UHFFFAOYSA-N	-1	0	476.279	3.626	50	0		JHAARM
O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000011915259	555866518	/nfs/dbraw/zinc/86/65/18/555866518.db2.gz	QXNSCRMKRJDPLZ-UHFFFAOYSA-N	-1	0	479.408	3.657	50	0		JHAARM
COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000015070122	555869797	/nfs/dbraw/zinc/86/97/97/555869797.db2.gz	UCKCESPPDGPTDM-SIXWZSSISA-N	-1	0	474.966	3.756	50	0		JHAARM
O=C(CSC1=NC(=O)C(C/C=C/c2ccccc2)C([O-])=N1)N1CCCC[C@H]1c1cccnc1	ZINC000012322877	555952837	/nfs/dbraw/zinc/95/28/37/555952837.db2.gz	ZSKDKJXEFYJUNZ-ISPXXFMDSA-N	-1	0	462.575	3.972	50	0	biogenic	JHAARM
Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC3(CC2)OCCO3)cc1	ZINC000022852386	555959500	/nfs/dbraw/zinc/95/95/00/555959500.db2.gz	APDCTJQXQRNVEE-GOSISDBHSA-N	-1	0	452.536	3.993	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N1CCC(Cc3ccccc3)CC1)c2=O	ZINC000012416133	555977391	/nfs/dbraw/zinc/97/73/91/555977391.db2.gz	NYFANXGBPVGXHT-UHFFFAOYSA-N	-1	0	465.575	3.717	50	0		JHAARM
Cc1cc(CN2CCN(Cc3nc(=O)c4sc(-c5ccc(Cl)cc5)cc4[n-]3)CC2)no1	ZINC000022932652	555985208	/nfs/dbraw/zinc/98/52/08/555985208.db2.gz	YAXIYHRRBNZECP-UHFFFAOYSA-N	-1	0	455.971	3.919	50	0		JHAARM
COc1ccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000012552256	556035000	/nfs/dbraw/zinc/03/50/00/556035000.db2.gz	HNEUEGJEHDFYOU-UHFFFAOYSA-N	-1	0	482.558	3.848	50	0		JHAARM
O=c1/c(=C\c2cc(Br)c([O-])c(Br)c2)sc2nc3ccccc3n12	ZINC000023382520	556050638	/nfs/dbraw/zinc/05/06/38/556050638.db2.gz	SSOADXHIJKEGBK-NTUHNPAUSA-N	-1	0	452.127	3.688	50	0		JHAARM
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N[C@H](Cc4ccccc4)C(=O)[O-])ccc23)cc1	ZINC000015955875	556088117	/nfs/dbraw/zinc/08/81/17/556088117.db2.gz	XFWSAKIPUCGUJZ-HSZRJFAPSA-N	-1	0	487.508	3.968	50	0		JHAARM
CN1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)[C@@H](c2ccccc2)C1	ZINC000024443872	556131172	/nfs/dbraw/zinc/13/11/72/556131172.db2.gz	CTHPPISRJXXFFK-OAQYLSRUSA-N	-1	0	455.605	3.607	50	0		JHAARM
COCCOc1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(C(=O)[O-])cc1OC	ZINC000025044657	556173500	/nfs/dbraw/zinc/17/35/00/556173500.db2.gz	QWZOCRMPYFGIGI-UHFFFAOYSA-N	-1	0	483.848	3.892	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)cc1OC	ZINC000017135720	556222643	/nfs/dbraw/zinc/22/26/43/556222643.db2.gz	TUBJGUMWVYEEHU-UHFFFAOYSA-N	-1	0	499.531	3.902	50	0		JHAARM
COc1ccc(CC(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2OC)c(OC)c1	ZINC000026738766	556260188	/nfs/dbraw/zinc/26/01/88/556260188.db2.gz	NOZJGYVGWBYXLX-UHFFFAOYSA-N	-1	0	486.546	3.703	50	0		JHAARM
Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n[nH]2)c1	ZINC000027664288	556303609	/nfs/dbraw/zinc/30/36/09/556303609.db2.gz	SQONPAFOJOWXTQ-UHFFFAOYSA-N	-1	0	492.561	3.859	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCn2cnc3ccccc32)c1	ZINC000029631158	556354266	/nfs/dbraw/zinc/35/42/66/556354266.db2.gz	BPYLQOVJVUQVAG-UHFFFAOYSA-N	-1	0	450.520	3.875	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3cccc(OC)c3)ccc2OC)cc1	ZINC000013133761	556359790	/nfs/dbraw/zinc/35/97/90/556359790.db2.gz	PMLWLBDOSAMEEO-UHFFFAOYSA-N	-1	0	456.520	3.694	50	0		JHAARM
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)[O-])CC[C@]2(CO2)[C@@H]1[C@]1(C)O[C@H]1CC=C(C)C	ZINC000253387501	560039631	/nfs/dbraw/zinc/03/96/31/560039631.db2.gz	NGGMYCMLYOUNGM-MLJXXKJPSA-N	-1	0	458.551	3.915	50	0	biogenic,in-vitro	JHAARM
COc1ccc([N-]S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)cc1S(=O)(=O)N1CCCCC1	ZINC000008686865	562953115	/nfs/dbraw/zinc/95/31/15/562953115.db2.gz	UVABICLKOUEQDB-UHFFFAOYSA-N	-1	0	498.932	3.741	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])c2)c(C)c1	ZINC000035529630	563120221	/nfs/dbraw/zinc/12/02/21/563120221.db2.gz	ZJBANSURQWSLKI-UHFFFAOYSA-N	-1	0	460.533	3.603	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCOC[C@@H]43)C2=O)cc1	ZINC000008695457	569593536	/nfs/dbraw/zinc/59/35/36/569593536.db2.gz	VQQBLKHEEXIGHL-GCJKJVERSA-N	-1	0	475.423	3.585	50	0		JHAARM
COc1cccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)[O-])c1OC	ZINC000008700654	569593647	/nfs/dbraw/zinc/59/36/47/569593647.db2.gz	GQWYOARANXRHLN-GOTSBHOMSA-N	-1	0	463.486	3.729	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3c(C)cccc3C)cc2)n1	ZINC000008723365	569599208	/nfs/dbraw/zinc/59/92/08/569599208.db2.gz	RVOXDJOYPJLTHM-SFHVURJKSA-N	-1	0	454.552	3.917	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)c1	ZINC000032962004	569602714	/nfs/dbraw/zinc/60/27/14/569602714.db2.gz	DYAQQSRGOKMMHI-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)cc2C(=O)[O-])cc1	ZINC000033007050	569615195	/nfs/dbraw/zinc/61/51/95/569615195.db2.gz	VUQRDFHZHMTXPN-UHFFFAOYSA-N	-1	0	481.574	3.911	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)[O-])c(C)c1	ZINC000033007461	569615445	/nfs/dbraw/zinc/61/54/45/569615445.db2.gz	XIBHVPTVPNQLFO-UHFFFAOYSA-N	-1	0	495.605	3.618	50	0		JHAARM
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O	ZINC000064774931	569627227	/nfs/dbraw/zinc/62/72/27/569627227.db2.gz	FHLRBEUKENOPBT-OAHLLOKOSA-N	-1	0	463.563	3.971	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1	ZINC000034763258	569658144	/nfs/dbraw/zinc/65/81/44/569658144.db2.gz	RESHRZXNMVWUQD-UHFFFAOYSA-N	-1	0	480.565	3.732	50	0		JHAARM
CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3ccccc3F)c(OC)c2)[n-]c1=O	ZINC000034766406	569658463	/nfs/dbraw/zinc/65/84/63/569658463.db2.gz	LKOUPXGSTRFCNM-HNNXBMFYSA-N	-1	0	454.502	3.818	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccc4ccccc43)c2)no1)N1CCCC1	ZINC000065097467	569661190	/nfs/dbraw/zinc/66/11/90/569661190.db2.gz	ZLNHHPVYUKKNCV-UHFFFAOYSA-N	-1	0	454.533	3.988	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1F	ZINC000065098991	569661990	/nfs/dbraw/zinc/66/19/90/569661990.db2.gz	CFZWSRWHIJAXRM-UHFFFAOYSA-N	-1	0	450.517	3.673	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(OC)cc1	ZINC000035377883	569685348	/nfs/dbraw/zinc/68/53/48/569685348.db2.gz	MIYZYPVNVFLVLL-GOSISDBHSA-N	-1	0	453.524	3.721	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000035397884	569688607	/nfs/dbraw/zinc/68/86/07/569688607.db2.gz	YQGZXAPBMDVITL-UHFFFAOYSA-N	-1	0	471.583	3.749	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCCN(c2ccc(Cl)nn2)CC1	ZINC000035556697	569703239	/nfs/dbraw/zinc/70/32/39/569703239.db2.gz	YFVGNFOBVBXFIY-UHFFFAOYSA-N	-1	0	451.914	3.797	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccccc2C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)cc1	ZINC000035684059	569706818	/nfs/dbraw/zinc/70/68/18/569706818.db2.gz	XMRDPPWDBIJMNG-NRFANRHFSA-N	-1	0	481.530	3.931	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000085652151	569714216	/nfs/dbraw/zinc/71/42/16/569714216.db2.gz	RWALJUUAGRZLHO-UHFFFAOYSA-N	-1	0	488.472	3.592	50	0		JHAARM
CCOC(=O)c1[n-]c(Br)nc1C(Br)(Br)Br	ZINC000095221218	569722195	/nfs/dbraw/zinc/72/21/95/569722195.db2.gz	GGPCXRKUAHBUFW-UHFFFAOYSA-N	-1	0	469.753	3.644	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCCC1	ZINC000095841972	569729210	/nfs/dbraw/zinc/72/92/10/569729210.db2.gz	CZPBCWGGNMVRJJ-UHFFFAOYSA-N	-1	0	489.619	3.583	50	0		JHAARM
O=C(C[C@@H](c1ccco1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096113835	569732957	/nfs/dbraw/zinc/73/29/57/569732957.db2.gz	YUFMDQIVAITJQN-KRWDZBQOSA-N	-1	0	461.470	3.845	50	0	biogenic	JHAARM
COc1ccc(OC)c(NC(=O)C(=O)C(=C([O-])c2ccccc2F)[C@H]2OC(=O)c3ccccc32)c1	ZINC000100742156	569768448	/nfs/dbraw/zinc/76/84/48/569768448.db2.gz	SCYNTKUOZGLNSD-URXFXBBRSA-N	-1	0	477.444	3.761	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262757	569788472	/nfs/dbraw/zinc/78/84/72/569788472.db2.gz	IVGIXUSUFGFRFC-OALUTQOASA-N	-1	0	482.422	3.738	50	0		JHAARM
CCOC(=O)CCc1c(C)nc2c(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccccc3)[n-]n2c1=O	ZINC000101280049	569788885	/nfs/dbraw/zinc/78/88/85/569788885.db2.gz	OOBOAZHXSXSKHP-UHFFFAOYSA-N	-1	0	494.573	3.712	50	0		JHAARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)c(=O)n(C)c1=O	ZINC000101494801	569799927	/nfs/dbraw/zinc/79/99/27/569799927.db2.gz	OISKEYIJOHMFDZ-KRWDZBQOSA-N	-1	0	472.364	3.910	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Br)cc1	ZINC000101836761	569806053	/nfs/dbraw/zinc/80/60/53/569806053.db2.gz	ORDFEJVDTWOAQE-SFHVURJKSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(-n3cccn3)nc(C)n2)cc1	ZINC000038670410	569806003	/nfs/dbraw/zinc/80/60/03/569806003.db2.gz	BUSUOPNLIAHHEA-UHFFFAOYSA-N	-1	0	450.524	3.832	50	0		JHAARM
COCCOC(=O)C1=C(C)N(Cc2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1c(F)cccc1Cl	ZINC000039996834	569813459	/nfs/dbraw/zinc/81/34/59/569813459.db2.gz	RZSVWDNRXKAMJW-FQEVSTJZSA-N	-1	0	476.888	3.907	50	0		JHAARM
COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O	ZINC000102730546	569818137	/nfs/dbraw/zinc/81/81/37/569818137.db2.gz	KFURINICSZCMOB-UHFFFAOYSA-N	-1	0	475.526	3.775	50	0		JHAARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4OCC(=O)[O-])[C@H]3C2=O)c(C)c1	ZINC000102762618	569822445	/nfs/dbraw/zinc/82/24/45/569822445.db2.gz	IVMLNIBWUHXTQG-UBFVSLLYSA-N	-1	0	472.497	3.818	50	0		JHAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1	ZINC000040450525	569828500	/nfs/dbraw/zinc/82/85/00/569828500.db2.gz	GCLUFTIJSULQJJ-UHFFFAOYSA-N	-1	0	478.368	3.507	50	0		JHAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(OC)c2OC)CC(=O)N3)c1	ZINC000049543306	569848401	/nfs/dbraw/zinc/84/84/01/569848401.db2.gz	IPBWVCZJHQTHBC-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	ZINC000113560847	569861888	/nfs/dbraw/zinc/86/18/88/569861888.db2.gz	DSQVZRMIUYRHPT-FYCOFBDGSA-N	-1	0	465.314	3.997	50	0		JHAARM
COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2C)cc1	ZINC000136654341	569864781	/nfs/dbraw/zinc/86/47/81/569864781.db2.gz	OUYUPEFSEAUGIP-RBZQAINGSA-N	-1	0	472.497	3.841	50	0		JHAARM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1OC	ZINC000226886455	570039116	/nfs/dbraw/zinc/03/91/16/570039116.db2.gz	CPFPTKVDOSSGQS-YZUZCNPQSA-N	-1	0	478.476	3.903	50	0		JHAARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000230007629	570043353	/nfs/dbraw/zinc/04/33/53/570043353.db2.gz	VHGXZBAMWQAXLX-XUVXKRRUSA-N	-1	0	450.292	3.895	50	0		JHAARM
COc1ccc(CCNC(=O)C[C@@H](c2ccc(OC)c(OC)c2OC)c2c([O-])cc(C)oc2=O)cc1	ZINC000253407933	570097389	/nfs/dbraw/zinc/09/73/89/570097389.db2.gz	KHKDFNLADHLTGY-FQEVSTJZSA-N	-1	0	497.544	3.569	50	0	biogenic	JHAARM
O=C(C[C@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCc1ccc2c(c1)OCO2	ZINC000253470767	570099018	/nfs/dbraw/zinc/09/90/18/570099018.db2.gz	CVXGRKXCHTUPQA-GOSISDBHSA-N	-1	0	487.464	3.794	50	0		JHAARM
COc1cccc(NC(=O)C[C@H](c2cc3c(c(OC)c2)OCO3)c2c([O-])cc(C)oc2=O)c1	ZINC000253471419	570099282	/nfs/dbraw/zinc/09/92/82/570099282.db2.gz	RJLWRXHGGUWPOL-QGZVFWFLSA-N	-1	0	453.447	3.560	50	0		JHAARM
COc1cc([C@@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)c(OC)c2c1OCO2	ZINC000253471704	570099453	/nfs/dbraw/zinc/09/94/53/570099453.db2.gz	XQNQDKZSWHWPQT-MRXNPFEDSA-N	-1	0	493.468	3.676	50	0		JHAARM
O=C(NCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1)c1ccc(Cl)cc1	ZINC000001032473	194006251	/nfs/dbraw/zinc/00/62/51/194006251.db2.gz	CWVUBURAPUOJFF-UHFFFAOYSA-N	-1	0	464.952	3.904	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1I	ZINC000001063007	194012816	/nfs/dbraw/zinc/01/28/16/194012816.db2.gz	NMRXNZPGOGAORA-UHFFFAOYSA-N	-1	0	453.685	3.763	50	0		JHAARM
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000001129142	194038070	/nfs/dbraw/zinc/03/80/70/194038070.db2.gz	ZNCIPZFCLWPFIX-INIZCTEOSA-N	-1	0	454.552	3.981	50	0		JHAARM
O=C(Cc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001150615	194050467	/nfs/dbraw/zinc/05/04/67/194050467.db2.gz	ZPGMPUHZXVTXBF-UHFFFAOYSA-N	-1	0	452.355	3.888	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc(I)ccc1Cl	ZINC000001159652	194054309	/nfs/dbraw/zinc/05/43/09/194054309.db2.gz	XQTFXPGCOVBIBW-UHFFFAOYSA-N	-1	0	490.706	3.778	50	0		JHAARM
COc1ccc(-c2csc(NC(=O)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC	ZINC000001414968	194117097	/nfs/dbraw/zinc/11/70/97/194117097.db2.gz	SNJKNIKPUDXLPR-UHFFFAOYSA-N	-1	0	453.929	3.991	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc(C(C)=O)cc4)CC3)cc21	ZINC000001427448	194119350	/nfs/dbraw/zinc/11/93/50/194119350.db2.gz	FCDRVJRAQXXOLC-UHFFFAOYSA-N	-1	0	496.564	3.580	50	0		JHAARM
COC(=O)c1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C(=O)[O-])c2)cc1	ZINC000002954497	194179005	/nfs/dbraw/zinc/17/90/05/194179005.db2.gz	QWSXTUFESFZYQW-OLFWJLLRSA-N	-1	0	487.468	3.598	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]n2c(=O)c3ccccc3nc2SCC(=O)c2ccc(F)cc2)cc1	ZINC000002974055	194189996	/nfs/dbraw/zinc/18/99/96/194189996.db2.gz	COORCZBHVYRWFH-UHFFFAOYSA-N	-1	0	483.546	3.751	50	0		JHAARM
O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccccc3Cl)c2)cc1	ZINC000003025421	194211352	/nfs/dbraw/zinc/21/13/52/194211352.db2.gz	FMHWJYJCMUGKSU-UHFFFAOYSA-N	-1	0	462.886	3.908	50	0		JHAARM
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1C	ZINC000003274636	194259716	/nfs/dbraw/zinc/25/97/16/194259716.db2.gz	ICSROATYWPWPGR-UHFFFAOYSA-N	-1	0	451.595	3.978	50	0		JHAARM
COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000003323649	194281861	/nfs/dbraw/zinc/28/18/61/194281861.db2.gz	ZEEDNKZVMIGFBA-UHFFFAOYSA-N	-1	0	465.575	3.767	50	0		JHAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC(C(=O)[O-])CC1)OC1(CCCCC1)CC3	ZINC000008877407	194489358	/nfs/dbraw/zinc/48/93/58/194489358.db2.gz	OZVBODHJCMJBLY-UHFFFAOYSA-N	-1	0	453.535	3.995	50	0	biogenic	JHAARM
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccs2)c1	ZINC000009119670	194543773	/nfs/dbraw/zinc/54/37/73/194543773.db2.gz	BCLKTDDVRMEXEB-UHFFFAOYSA-N	-1	0	452.579	3.773	50	0		JHAARM
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccc(-c4nc5ccccc5s4)o3)C2=O)c1	ZINC000009950076	195033142	/nfs/dbraw/zinc/03/31/42/195033142.db2.gz	MZFNATQRPCXLJG-QHCPKHFHSA-N	-1	0	462.487	3.677	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC)cc5OC)oc4C)c=3c2=O)cc1	ZINC000020989106	195261761	/nfs/dbraw/zinc/26/17/61/195261761.db2.gz	LDXNXSRVDVHSOH-FCHUYYIVSA-N	-1	0	475.505	3.723	50	0		JHAARM
Cc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O	ZINC000103152371	130608207	/nfs/dbraw/zinc/60/82/07/130608207.db2.gz	LLRQKHLSKMWKDV-LGPLSSKUSA-N	-1	0	492.539	3.666	50	0		JHAARM
CCCCOc1cccc(-c2nnc(CCC(=O)NCCc3ccc(OC)cc3)c(=O)[n-]2)c1	ZINC000034764891	520898812	/nfs/dbraw/zinc/89/88/12/520898812.db2.gz	DCYSXDRYQADPAW-UHFFFAOYSA-N	-1	0	450.539	3.723	50	0		JHAARM
CCOC(=O)Cc1csc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2F)n1	ZINC000006146133	520912615	/nfs/dbraw/zinc/91/26/15/520912615.db2.gz	ABKSYNKUTDODBN-UHFFFAOYSA-N	-1	0	481.502	3.580	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1	ZINC000022852143	520959700	/nfs/dbraw/zinc/95/97/00/520959700.db2.gz	PHSNYJIRTFEYBD-KRWDZBQOSA-N	-1	0	471.514	3.759	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)Nc2ccc(OC)c(Cl)c2)cc1	ZINC000049003399	521133872	/nfs/dbraw/zinc/13/38/72/521133872.db2.gz	CYCYOOOZFGHMOM-UHFFFAOYSA-N	-1	0	464.931	3.832	50	0		JHAARM
CCC(CC)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2C(=O)OC)C1	ZINC000012281377	521493304	/nfs/dbraw/zinc/49/33/04/521493304.db2.gz	BQHHVBQXQVROGF-UHFFFAOYSA-N	-1	0	486.562	3.935	50	0		JHAARM
COC(=O)c1c2c(sc1NC(=S)N[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)CCCC2	ZINC000020468239	521772470	/nfs/dbraw/zinc/77/24/70/521772470.db2.gz	JRLLTMTUFAHJFS-UHFFFAOYSA-N	-1	0	481.665	3.891	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(F)c1)CN(C(=O)CCC(C)C)CC2	ZINC000014955918	521792922	/nfs/dbraw/zinc/79/29/22/521792922.db2.gz	MYYBDBMRPWDQMO-UHFFFAOYSA-N	-1	0	468.572	3.796	50	0		JHAARM
COC(=O)c1cc(CNC(=O)Cc2ccccc2F)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012246635	521848659	/nfs/dbraw/zinc/84/86/59/521848659.db2.gz	MAFXIHZOMTVIEB-UHFFFAOYSA-N	-1	0	490.940	3.925	50	0		JHAARM
COC(=O)c1cc(CNC(=O)c2cccc(F)c2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012246632	521854425	/nfs/dbraw/zinc/85/44/25/521854425.db2.gz	HKJGPDIXWZVIHZ-UHFFFAOYSA-N	-1	0	476.913	3.997	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccccc3C)c1)NC(=O)CCC2=O	ZINC000033276732	522706176	/nfs/dbraw/zinc/70/61/76/522706176.db2.gz	VYOXJJUHICNGAY-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3C)c1)NC(=O)CCC2=O	ZINC000033276759	522707557	/nfs/dbraw/zinc/70/75/57/522707557.db2.gz	KXUPOEACKFUQJB-UHFFFAOYSA-N	-1	0	486.525	3.742	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1	ZINC000033123213	523076733	/nfs/dbraw/zinc/07/67/33/523076733.db2.gz	FLAVITIOCWRUGW-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(N3CCN(c4cccc(OC)c4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033078551	523752025	/nfs/dbraw/zinc/75/20/25/523752025.db2.gz	DKGZFRSZCCZSKK-UHFFFAOYSA-N	-1	0	461.518	3.981	50	0		JHAARM
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2CC(C)C)cc1	ZINC000072191568	524168674	/nfs/dbraw/zinc/16/86/74/524168674.db2.gz	CKVPSOBXOZCMRO-UHFFFAOYSA-N	-1	0	454.552	3.963	50	0		JHAARM
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(C(=O)[N-]c3nnc(C(C)C)s3)n2)c1	ZINC000008613903	524455616	/nfs/dbraw/zinc/45/56/16/524455616.db2.gz	UMBCEWOZRUBUBU-UHFFFAOYSA-N	-1	0	451.961	3.640	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(C)s2)ccc1Cl	ZINC000008686875	524640307	/nfs/dbraw/zinc/64/03/07/524640307.db2.gz	KCGUDBNWGOWOLA-UHFFFAOYSA-N	-1	0	493.994	3.888	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC=C2C(=O)NC(=O)c3ccccc32)c1	ZINC000016719143	524645996	/nfs/dbraw/zinc/64/59/96/524645996.db2.gz	IJNSPUMHDHDXPF-GHRIWEEISA-N	-1	0	483.933	3.872	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1OC	ZINC000033171391	524687565	/nfs/dbraw/zinc/68/75/65/524687565.db2.gz	JLJHMKSFXWAJFF-UHFFFAOYSA-N	-1	0	468.535	3.840	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2F)n(C)c(=O)n3C)cc1	ZINC000046009548	524992596	/nfs/dbraw/zinc/99/25/96/524992596.db2.gz	FUTHHWLEZMPBRR-UHFFFAOYSA-N	-1	0	457.483	3.618	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1OC	ZINC000033253461	525084634	/nfs/dbraw/zinc/08/46/34/525084634.db2.gz	IWHVNUUATSABFY-UHFFFAOYSA-N	-1	0	456.520	3.839	50	0		JHAARM
CS(=O)(=O)N1CCC[C@H](c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)C1	ZINC000002731528	525171019	/nfs/dbraw/zinc/17/10/19/525171019.db2.gz	LLDVWRRTKMFZMM-LBPRGKRZSA-N	-1	0	487.438	3.972	50	0		JHAARM
COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1OC	ZINC000022609407	525383227	/nfs/dbraw/zinc/38/32/27/525383227.db2.gz	DLIPNTALJRCVCD-HXUWFJFHSA-N	-1	0	469.542	3.564	50	0		JHAARM
CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-]	ZINC000012296474	525587816	/nfs/dbraw/zinc/58/78/16/525587816.db2.gz	QCIRGEIYCQXWBQ-IBGZPJMESA-N	-1	0	473.591	3.994	50	0	biogenic	JHAARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)cc1	ZINC000016487825	525615189	/nfs/dbraw/zinc/61/51/89/525615189.db2.gz	QOACWSLWHKABCB-UHFFFAOYSA-N	-1	0	453.539	3.897	50	0		JHAARM
Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)N[C@@H](C)C(=O)[O-])c12)OC(C)(C)CC3	ZINC000008877976	525738756	/nfs/dbraw/zinc/73/87/56/525738756.db2.gz	LIAVUWVLJVCJHA-INIZCTEOSA-N	-1	0	479.529	3.764	50	0	biogenic	JHAARM
Cc1c2cc(C)c(C)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2oc1C(=O)N1CCOCC1	ZINC000065010852	525942413	/nfs/dbraw/zinc/94/24/13/525942413.db2.gz	VZAJPSSUSZZEFO-UHFFFAOYSA-N	-1	0	464.490	3.909	50	0		JHAARM
Cc1ccc([C@H]2CC(c3ccccc3NS(=O)(=O)c3ccccc3)=NN2C(=O)CCC(=O)[O-])o1	ZINC000046085330	525987063	/nfs/dbraw/zinc/98/70/63/525987063.db2.gz	DYRHWVYUVQQUKR-OAQYLSRUSA-N	-1	0	481.530	3.931	50	0		JHAARM
O=C([O-])[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OCc1ccccc1	ZINC000002564747	526303800	/nfs/dbraw/zinc/30/38/00/526303800.db2.gz	MVKNXKRRMCSKJJ-QHCPKHFHSA-N	-1	0	460.486	3.905	50	0		JHAARM
Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c1)NC(=O)CCC2=O	ZINC000033276564	526310260	/nfs/dbraw/zinc/31/02/60/526310260.db2.gz	MERYGOUENUNQHA-UHFFFAOYSA-N	-1	0	458.927	3.994	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000033253054	526354174	/nfs/dbraw/zinc/35/41/74/526354174.db2.gz	ATZWNKRTYWRHII-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N[C@H]1CCCc2ccccc21	ZINC000006247528	526917123	/nfs/dbraw/zinc/91/71/23/526917123.db2.gz	RHFXXGOEJVQWNA-QFIPXVFZSA-N	-1	0	482.533	3.977	50	0		JHAARM
O=C(CSc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1)Nc1ccc2c(c1)OCCO2	ZINC000022704352	527036638	/nfs/dbraw/zinc/03/66/38/527036638.db2.gz	LZHJKGLBYDGDBU-OALUTQOASA-N	-1	0	468.531	3.794	50	0		JHAARM
Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000022627379	527206016	/nfs/dbraw/zinc/20/60/16/527206016.db2.gz	YBZSGYSVBDUWNY-QGZVFWFLSA-N	-1	0	457.943	3.599	50	0		JHAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)N3c4ccccc4SC[C@@H]3c3ccccc3)cc21	ZINC000040146677	527607727	/nfs/dbraw/zinc/60/77/27/527607727.db2.gz	PCJCIHKITJTTFO-HXUWFJFHSA-N	-1	0	496.566	3.539	50	0		JHAARM
O=C([O-])CN1Cc2ccccc2C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O	ZINC000033369293	527611048	/nfs/dbraw/zinc/61/10/48/527611048.db2.gz	RPAHAHMAXJASPS-DEOSSOPVSA-N	-1	0	456.498	3.563	50	0		JHAARM
O=C([O-])CN1c2ccccc2CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O	ZINC000002562462	527611240	/nfs/dbraw/zinc/61/12/40/527611240.db2.gz	AJXLRWYRXXKUSJ-QHCPKHFHSA-N	-1	0	456.498	3.958	50	0		JHAARM
CS(=O)(=O)c1ccc2nc([N-]C(NC(=O)c3ccco3)(C(F)(F)F)C(F)(F)F)sc2c1	ZINC000000721310	553773025	/nfs/dbraw/zinc/77/30/25/553773025.db2.gz	GEUSYIZEVYQWTG-UHFFFAOYSA-N	-1	0	487.403	3.956	50	0		JHAARM
O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)cc1	ZINC000000939606	553876112	/nfs/dbraw/zinc/87/61/12/553876112.db2.gz	FSJAMTZSOTVYMB-MRXNPFEDSA-N	-1	0	460.770	3.726	50	0		JHAARM
O=C(COc1ccc2c(c1)oc(=O)c1c2CCCC1)N[C@@H](CSCc1ccccc1)C(=O)[O-]	ZINC000002120366	554055333	/nfs/dbraw/zinc/05/53/33/554055333.db2.gz	OBGNKEOKPJWHCR-NRFANRHFSA-N	-1	0	467.543	3.553	50	0	biogenic	JHAARM
Cc1oc2cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000002124153	554057712	/nfs/dbraw/zinc/05/77/12/554057712.db2.gz	AJPHCNPBBKICTI-XMMPIXPASA-N	-1	0	481.501	3.534	50	0	biogenic	JHAARM
Cc1cc(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1	ZINC000002136974	554062435	/nfs/dbraw/zinc/06/24/35/554062435.db2.gz	JTIQGLKRCIOWFG-NRFANRHFSA-N	-1	0	474.513	3.652	50	0	biogenic	JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)N3CCCCCC3)cc1)c2=O	ZINC000002973503	554414426	/nfs/dbraw/zinc/41/44/26/554414426.db2.gz	MEUAVQJJTIGESM-UHFFFAOYSA-N	-1	0	451.548	3.910	50	0		JHAARM
O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2cccc(Cl)c2)CC1	ZINC000002975277	554415287	/nfs/dbraw/zinc/41/52/87/554415287.db2.gz	ZBHVRMUWVDJPKE-UHFFFAOYSA-N	-1	0	486.981	3.570	50	0		JHAARM
COc1ccc(CNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)cc2)cc1	ZINC000002975423	554415828	/nfs/dbraw/zinc/41/58/28/554415828.db2.gz	WBNBQTWJSGZHSU-UHFFFAOYSA-N	-1	0	475.526	3.775	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(O)[C@H]2N(Cc3ccc(F)cc3)C(=S)SC2(C)C)cc1	ZINC000008934570	554829154	/nfs/dbraw/zinc/82/91/54/554829154.db2.gz	CYHYXSAHINLZRA-QGZVFWFLSA-N	-1	0	483.612	3.862	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3sc2=O)cc1	ZINC000009130770	554930892	/nfs/dbraw/zinc/93/08/92/554930892.db2.gz	RVQXOMVGIYPJHV-UHFFFAOYSA-N	-1	0	469.544	3.511	50	0		JHAARM
CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000009157141	554946784	/nfs/dbraw/zinc/94/67/84/554946784.db2.gz	OKVDHEGBSQCDJS-UHFFFAOYSA-N	-1	0	452.598	3.846	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1S(=O)(=O)N(C)C	ZINC000009203195	554973576	/nfs/dbraw/zinc/97/35/76/554973576.db2.gz	GQFMMCGZMUABGD-UHFFFAOYSA-N	-1	0	456.895	3.718	50	0		JHAARM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O	ZINC000009274276	555046572	/nfs/dbraw/zinc/04/65/72/555046572.db2.gz	BHWZMYGTEHKAJJ-UHFFFAOYSA-N	-1	0	459.886	3.780	50	0		JHAARM
COCCn1c(C)cc(C(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1C	ZINC000009284349	555057156	/nfs/dbraw/zinc/05/71/56/555057156.db2.gz	HRSSOTYHXIVPLK-UHFFFAOYSA-N	-1	0	465.428	3.701	50	0		JHAARM
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1	ZINC000009352278	555117704	/nfs/dbraw/zinc/11/77/04/555117704.db2.gz	NLYRWALWAKQRDN-HNNXBMFYSA-N	-1	0	472.544	3.936	50	0		JHAARM
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2=O)cc1C	ZINC000009356480	555121676	/nfs/dbraw/zinc/12/16/76/555121676.db2.gz	KRZNGUHLKHPDTQ-INIZCTEOSA-N	-1	0	470.576	3.552	50	0		JHAARM
Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H](c3ccc(O)cc3)C2)c(=O)o1	ZINC000009409622	555174634	/nfs/dbraw/zinc/17/46/34/555174634.db2.gz	KFRAGXNKSCBGHG-FQEVSTJZSA-N	-1	0	456.458	3.922	50	0		JHAARM
COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(OC)cc3)Sc3ccccc3N2)C1=O	ZINC000009433989	555204700	/nfs/dbraw/zinc/20/47/00/555204700.db2.gz	KIGWSQDXUFNHQJ-HWCXCKHPSA-N	-1	0	467.547	3.713	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)n1	ZINC000009463511	555233765	/nfs/dbraw/zinc/23/37/65/555233765.db2.gz	DGIUVKSVUBAUMM-UHFFFAOYSA-N	-1	0	491.529	3.992	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Br)cc1Cl	ZINC000009478181	555259965	/nfs/dbraw/zinc/25/99/65/555259965.db2.gz	YEQDQJROFDRMHP-UHFFFAOYSA-N	-1	0	479.805	3.688	50	0		JHAARM
Nc1nc(SCC(=O)Nc2ccc(F)cc2F)[n-]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1	ZINC000009518218	555312745	/nfs/dbraw/zinc/31/27/45/555312745.db2.gz	MPZHKGJMWOSATI-UHFFFAOYSA-N	-1	0	499.421	3.632	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000009546215	555340662	/nfs/dbraw/zinc/34/06/62/555340662.db2.gz	VWLCHDZBXWZOHN-UHFFFAOYSA-N	-1	0	497.525	3.697	50	0		JHAARM
COC(=O)[C@@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(OCc2ccccc2)c(OC)c1	ZINC000009553656	555350004	/nfs/dbraw/zinc/35/00/04/555350004.db2.gz	JHSZCZPECRNZLH-QFIPXVFZSA-N	-1	0	453.491	3.560	50	0		JHAARM
COc1ccc(C[C@@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000013153347	555359714	/nfs/dbraw/zinc/35/97/14/555359714.db2.gz	BUBWVRCWWRGNQX-MHZLTWQESA-N	-1	0	473.529	3.852	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000013249512	555370368	/nfs/dbraw/zinc/37/03/68/555370368.db2.gz	FVQZWEDGULQVGS-LSDHHAIUSA-N	-1	0	464.927	3.755	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(NCc2ccccc2)s1	ZINC000013413052	555397220	/nfs/dbraw/zinc/39/72/20/555397220.db2.gz	QBXJPXQCCIBBCB-SFHVURJKSA-N	-1	0	467.576	3.536	50	0		JHAARM
O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccc(Br)cc1	ZINC000009761972	555487078	/nfs/dbraw/zinc/48/70/78/555487078.db2.gz	SMPSPPNMKONHND-UHFFFAOYSA-N	-1	0	460.762	3.945	50	0		JHAARM
CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)CCCCC4)CC1	ZINC000009970061	555567502	/nfs/dbraw/zinc/56/75/02/555567502.db2.gz	FVSWNZRTNZKMDH-INIZCTEOSA-N	-1	0	487.622	3.517	50	0		JHAARM
CSCC[C@@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000013690780	555584769	/nfs/dbraw/zinc/58/47/69/555584769.db2.gz	GCPBUHWMGWTUJA-AWEZNQCLSA-N	-1	0	486.040	3.594	50	0		JHAARM
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)C1	ZINC000013949273	555658589	/nfs/dbraw/zinc/65/85/89/555658589.db2.gz	GNAIGWVHCHIPQI-CHWSQXEVSA-N	-1	0	493.470	3.978	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)CC1	ZINC000014154167	555710888	/nfs/dbraw/zinc/71/08/88/555710888.db2.gz	MIEPVHUTTDHANK-UHFFFAOYSA-N	-1	0	464.971	3.865	50	0		JHAARM
O=C(OCc1cc(=O)n2ccsc2n1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000010734606	555736966	/nfs/dbraw/zinc/73/69/66/555736966.db2.gz	PJNRAZQMJGLENA-UHFFFAOYSA-N	-1	0	475.935	3.567	50	0		JHAARM
COc1ccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)c(OC)c1	ZINC000011332289	555773110	/nfs/dbraw/zinc/77/31/10/555773110.db2.gz	HHVPBCFOHALZJD-UHFFFAOYSA-N	-1	0	498.557	3.917	50	0		JHAARM
Cc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1	ZINC000011695909	555803034	/nfs/dbraw/zinc/80/30/34/555803034.db2.gz	ONZTVBPBZMSVJC-SFHVURJKSA-N	-1	0	471.604	3.605	50	0		JHAARM
C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000011867469	555844593	/nfs/dbraw/zinc/84/45/93/555844593.db2.gz	YOXYNZQFGQFACE-MWTRTKDXSA-N	-1	0	473.481	3.745	50	0		JHAARM
O=C([O-])c1ccc(-c2ccc(/C=c3\sc4nc5cc(Br)cnc5n4c3=O)o2)cc1	ZINC000022033940	555864876	/nfs/dbraw/zinc/86/48/76/555864876.db2.gz	NHPZPFHZMRBPOF-PXNMLYILSA-N	-1	0	468.288	3.573	50	0		JHAARM
COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc1OCC(N)=O	ZINC000015082364	555873344	/nfs/dbraw/zinc/87/33/44/555873344.db2.gz	IKOIQSDFBUKUAW-CQSZACIVSA-N	-1	0	470.478	3.599	50	0		JHAARM
C[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1	ZINC000015534077	555913351	/nfs/dbraw/zinc/91/33/51/555913351.db2.gz	FIJKHSNEXBZVKR-KRWDZBQOSA-N	-1	0	452.532	3.792	50	0		JHAARM
O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000012137208	555914419	/nfs/dbraw/zinc/91/44/19/555914419.db2.gz	GHVNEUNJLVSCRF-FOCLMDBBSA-N	-1	0	469.541	3.813	50	0		JHAARM
CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1	ZINC000022322012	555921514	/nfs/dbraw/zinc/92/15/14/555921514.db2.gz	JPQAFABAGYLELO-UHFFFAOYSA-N	-1	0	450.549	3.750	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cc(C)cc(C)c1)CN(C(=O)CCSC)CC2	ZINC000012156393	555928394	/nfs/dbraw/zinc/92/83/94/555928394.db2.gz	OOPSYLXQUDLYJM-UHFFFAOYSA-N	-1	0	482.649	3.590	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OCC)cc21	ZINC000012180621	555935008	/nfs/dbraw/zinc/93/50/08/555935008.db2.gz	YGFWZTMUZOISDR-UHFFFAOYSA-N	-1	0	452.598	3.687	50	0		JHAARM
CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])N2CCN(C(=O)c3ccco3)CC2)cc1	ZINC000012341904	555953907	/nfs/dbraw/zinc/95/39/07/555953907.db2.gz	ILQUVLYODMIANR-HXUWFJFHSA-N	-1	0	481.578	3.598	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000012341958	555954363	/nfs/dbraw/zinc/95/43/63/555954363.db2.gz	NALDTNMYLRDTSF-INIZCTEOSA-N	-1	0	454.383	3.619	50	0		JHAARM
NC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1	ZINC000022851852	555958479	/nfs/dbraw/zinc/95/84/79/555958479.db2.gz	NHGZYDJWNMOYPB-MRXNPFEDSA-N	-1	0	457.943	3.697	50	0		JHAARM
[O-]c1c([C@H](c2ccc(F)cc2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12	ZINC000022852230	555959163	/nfs/dbraw/zinc/95/91/63/555959163.db2.gz	SBOCALWGSQTZGP-KRWDZBQOSA-N	-1	0	456.499	3.824	50	0		JHAARM
[O-]c1c([C@@H](c2ccccc2F)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12	ZINC000022852129	555959220	/nfs/dbraw/zinc/95/92/20/555959220.db2.gz	MIWRGSYYKFWJNS-QGZVFWFLSA-N	-1	0	456.499	3.824	50	0		JHAARM
CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000022854730	555961175	/nfs/dbraw/zinc/96/11/75/555961175.db2.gz	FBDRPCQWTXOKMW-JOCHJYFZSA-N	-1	0	463.607	3.975	50	0		JHAARM
COc1ccc(C(=O)N/C(=C/c2ccc(Br)cc2)C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1	ZINC000012382130	555970850	/nfs/dbraw/zinc/97/08/50/555970850.db2.gz	YBNAHRUZFYNKOQ-ACSPXDACSA-N	-1	0	489.366	3.844	50	0		JHAARM
O=S(=O)([N-]c1ccccc1S(=O)(=O)NC1CC1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000012521433	555993079	/nfs/dbraw/zinc/99/30/79/555993079.db2.gz	RVSLHXJSIHYTAX-UHFFFAOYSA-N	-1	0	454.879	3.600	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1OC	ZINC000023125908	556014262	/nfs/dbraw/zinc/01/42/62/556014262.db2.gz	DBSAAIVQVSYOJV-FGZHOGPDSA-N	-1	0	490.520	3.761	50	0		JHAARM
COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)nc1C	ZINC000024193056	556126419	/nfs/dbraw/zinc/12/64/19/556126419.db2.gz	RVMNGTUGXVSKEA-QGZVFWFLSA-N	-1	0	484.555	3.878	50	0		JHAARM
C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	ZINC000012978730	556171459	/nfs/dbraw/zinc/17/14/59/556171459.db2.gz	SBECLHNKJXJNME-DEOSSOPVSA-N	-1	0	457.515	3.713	50	0		JHAARM
Cc1cc(C)n2nc(C(=O)Nc3cc(Cl)ccc3[N-]S(=O)(=O)c3ccccc3F)nc2n1	ZINC000025130938	556180413	/nfs/dbraw/zinc/18/04/13/556180413.db2.gz	VIVLGFKDHAEAAB-UHFFFAOYSA-N	-1	0	474.905	3.587	50	0		JHAARM
CC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)cc1	ZINC000012993211	556185359	/nfs/dbraw/zinc/18/53/59/556185359.db2.gz	ANAZQGSMGGEZEA-LJQANCHMSA-N	-1	0	474.579	3.849	50	0		JHAARM
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017136061	556223485	/nfs/dbraw/zinc/22/34/85/556223485.db2.gz	LOALYGVAYKOELU-UHFFFAOYSA-N	-1	0	483.532	3.958	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)cc1	ZINC000017250269	556247886	/nfs/dbraw/zinc/24/78/86/556247886.db2.gz	DFLZHENBZIJGNQ-UHFFFAOYSA-N	-1	0	450.476	3.912	50	0	aggregator	JHAARM
CCCc1ccc(NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@H]2CCCO2)cc1	ZINC000013053663	556250136	/nfs/dbraw/zinc/25/01/36/556250136.db2.gz	LGFQPOFXKGHQND-LJQANCHMSA-N	-1	0	481.574	3.957	50	0		JHAARM
COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)NCCCCCC(=O)[O-]	ZINC000027528367	556290375	/nfs/dbraw/zinc/29/03/75/556290375.db2.gz	CAQPRWCIEXGKLS-CYVLTUHYSA-N	-1	0	489.366	3.990	50	0		JHAARM
CCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)no2)cc1	ZINC000027580002	556299981	/nfs/dbraw/zinc/29/99/81/556299981.db2.gz	LZBLZNBYSJVVQS-UHFFFAOYSA-N	-1	0	479.518	3.892	50	0		JHAARM
CCOC(=O)c1c2c(sc1N1C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C1=O)CCCC2	ZINC000019789176	556369936	/nfs/dbraw/zinc/36/99/36/556369936.db2.gz	HDTWCJZIXOARPC-MRXNPFEDSA-N	-1	0	459.545	3.926	50	0		JHAARM
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000031193384	556394489	/nfs/dbraw/zinc/39/44/89/556394489.db2.gz	WEPGZMDYZNTLBQ-UHFFFAOYSA-N	-1	0	469.588	3.713	50	0		JHAARM
COCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1	ZINC000032581152	556447289	/nfs/dbraw/zinc/44/72/89/556447289.db2.gz	SFWJTOJUAHKFRC-UHFFFAOYSA-N	-1	0	458.565	3.577	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000032961654	556578474	/nfs/dbraw/zinc/57/84/74/556578474.db2.gz	YOYSINIAYWLZHG-UHFFFAOYSA-N	-1	0	479.558	3.715	50	0		JHAARM
O=C([O-])CCC(=O)N1CCc2cc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)ccc21	ZINC000008671108	562949417	/nfs/dbraw/zinc/94/94/17/562949417.db2.gz	UXOXRNIBKHUOGI-UHFFFAOYSA-N	-1	0	492.597	3.874	50	0		JHAARM
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1	ZINC000008661821	569592712	/nfs/dbraw/zinc/59/27/12/569592712.db2.gz	VZGPEIXCABANTA-UHFFFAOYSA-N	-1	0	463.481	3.588	50	0		JHAARM
CCOC(=O)N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccccc4F)ccc3n2)CC1	ZINC000033010337	569616691	/nfs/dbraw/zinc/61/66/91/569616691.db2.gz	LWODRCBNTWYGKG-UHFFFAOYSA-N	-1	0	466.469	3.603	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nncs3)c2)cc1Cl	ZINC000033879408	569636864	/nfs/dbraw/zinc/63/68/64/569636864.db2.gz	HXGHVOQZHVWKQT-UHFFFAOYSA-N	-1	0	468.944	3.570	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3)c1)NC(=O)CCC2=O	ZINC000065020748	569648329	/nfs/dbraw/zinc/64/83/29/569648329.db2.gz	YSOIMCMHMDZAEP-UHFFFAOYSA-N	-1	0	482.562	3.993	50	0		JHAARM
Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1C	ZINC000065022531	569649236	/nfs/dbraw/zinc/64/92/36/569649236.db2.gz	HSQAAYTYZOCZIM-UHFFFAOYSA-N	-1	0	488.953	3.944	50	0		JHAARM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1	ZINC000065022538	569649309	/nfs/dbraw/zinc/64/93/09/569649309.db2.gz	PPRPEBPRGVKCBP-UHFFFAOYSA-N	-1	0	488.953	3.944	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)cc1	ZINC000034763348	569658110	/nfs/dbraw/zinc/65/81/10/569658110.db2.gz	IKQRECHWERXHHO-UHFFFAOYSA-N	-1	0	450.539	3.723	50	0		JHAARM
Cc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[n-]2)cc1Cl	ZINC000034767881	569658732	/nfs/dbraw/zinc/65/87/32/569658732.db2.gz	FMTFAPBKBOWGBB-UHFFFAOYSA-N	-1	0	455.921	3.627	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2OC)c1	ZINC000065116223	569666367	/nfs/dbraw/zinc/66/63/67/569666367.db2.gz	RRNSDNKLZLDPCW-UHFFFAOYSA-N	-1	0	459.524	3.989	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)sc1C	ZINC000065116754	569666669	/nfs/dbraw/zinc/66/66/69/569666669.db2.gz	WLEVHEHOIBOSKE-UHFFFAOYSA-N	-1	0	476.580	3.850	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCCC3)n2)ccc1C	ZINC000065319126	569673700	/nfs/dbraw/zinc/67/37/00/569673700.db2.gz	DZSLACGNWBPIGR-UHFFFAOYSA-N	-1	0	470.551	3.871	50	0		JHAARM
COc1c2c(cc([C@@H]3CC(=O)Nc4c(C(=O)[O-])cn(-c5cccc(F)c5)c43)c1OC)OCO2	ZINC000066087934	569676815	/nfs/dbraw/zinc/67/68/15/569676815.db2.gz	BJBVXIPLVWUYNR-ZDUSSCGKSA-N	-1	0	454.410	3.535	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc3c(c2)OCCO3)[n-]c1=O	ZINC000035377982	569685544	/nfs/dbraw/zinc/68/55/44/569685544.db2.gz	COCHVWDAJFCWHJ-LJQANCHMSA-N	-1	0	495.561	3.873	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc3c(c2)OCCO3)[n-]c1=O	ZINC000035377980	569685567	/nfs/dbraw/zinc/68/55/67/569685567.db2.gz	COCHVWDAJFCWHJ-IBGZPJMESA-N	-1	0	495.561	3.873	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(OC)cc(OC)c2)[n-]c1=O	ZINC000035378023	569685866	/nfs/dbraw/zinc/68/58/66/569685866.db2.gz	KRHJLKRGIGKZPR-ZDUSSCGKSA-N	-1	0	483.550	3.729	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)cnc1N1CCCCCC1	ZINC000035397420	569688052	/nfs/dbraw/zinc/68/80/52/569688052.db2.gz	KQKIGBCNGMXXIZ-UHFFFAOYSA-N	-1	0	454.346	3.724	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCN(c2ccc(Cl)nn2)CC1	ZINC000035511012	569698189	/nfs/dbraw/zinc/69/81/89/569698189.db2.gz	JBUCJKXEPSXYQN-UHFFFAOYSA-N	-1	0	469.904	3.936	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c(OC)c1	ZINC000085651960	569713716	/nfs/dbraw/zinc/71/37/16/569713716.db2.gz	UYDXPKMWOHLBBY-UHFFFAOYSA-N	-1	0	496.545	3.631	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccccc1C	ZINC000085652119	569714058	/nfs/dbraw/zinc/71/40/58/569714058.db2.gz	KNLWRYCNXGVXIR-UHFFFAOYSA-N	-1	0	466.519	3.622	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000089969048	569720529	/nfs/dbraw/zinc/72/05/29/569720529.db2.gz	ARVILWVBSLLWQF-UHFFFAOYSA-N	-1	0	461.609	3.737	50	0		JHAARM
CC(C)[C@@H](CC(=O)N1CCN(C)CC1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115250	569734280	/nfs/dbraw/zinc/73/42/80/569734280.db2.gz	YHXSIKPNVNWSPQ-GOSISDBHSA-N	-1	0	450.535	3.775	50	0	biogenic	JHAARM
Cc1oc(-c2n[nH]cc2C(=O)N2CCCCC2)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000097940899	569746087	/nfs/dbraw/zinc/74/60/87/569746087.db2.gz	AVTGEEGHIZMPBY-UHFFFAOYSA-N	-1	0	450.467	3.683	50	0		JHAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(c3ccc(C)cc3C)CC1)cn2CCC(=O)[O-]	ZINC000036354796	569771669	/nfs/dbraw/zinc/77/16/69/569771669.db2.gz	GPECVVGSBGAIGY-RUZDIDTESA-N	-1	0	465.550	3.689	50	0		JHAARM
Cc1noc(C)c1CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1	ZINC000036360541	569772665	/nfs/dbraw/zinc/77/26/65/569772665.db2.gz	SCODVLPBNKOHCO-RUZDIDTESA-N	-1	0	487.560	3.969	50	0		JHAARM
CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccccc4)=NN(c4ccccc4OC)C3=C2[O-])cc1	ZINC000100909657	569775052	/nfs/dbraw/zinc/77/50/52/569775052.db2.gz	IQJNBQQCXJXSGV-VWNXMTODSA-N	-1	0	469.497	3.711	50	0		JHAARM
CSCC[C@@H](NC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O)C(=O)[O-]	ZINC000036580015	569776941	/nfs/dbraw/zinc/77/69/41/569776941.db2.gz	TXQCLHAUCBVQDV-GOSISDBHSA-N	-1	0	457.504	3.595	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000101167462	569785688	/nfs/dbraw/zinc/78/56/88/569785688.db2.gz	MJLHVGFCASZLIV-XZOQPEGZSA-N	-1	0	455.474	3.719	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc6c(c5)CCC6)c(=O)c3=4)n2)cc1	ZINC000101262391	569788274	/nfs/dbraw/zinc/78/82/74/569788274.db2.gz	IFAHPKJYVYFKJP-YADHBBJMSA-N	-1	0	472.505	3.506	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1C	ZINC000101277502	569788895	/nfs/dbraw/zinc/78/88/95/569788895.db2.gz	XUFXXRQDOCVPDC-OALUTQOASA-N	-1	0	450.886	3.809	50	0		JHAARM
Cc1cccc(-c2nn3c([n-]2)nc(CN2CCN(c4cccc(C(F)(F)F)c4)CC2)cc3=O)c1	ZINC000101748029	569803685	/nfs/dbraw/zinc/80/36/85/569803685.db2.gz	IPXUYVBOKBAACC-UHFFFAOYSA-N	-1	0	468.483	3.734	50	0		JHAARM
COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@H]2c1cccc(Br)c1	ZINC000101836046	569805918	/nfs/dbraw/zinc/80/59/18/569805918.db2.gz	BXXTXXGZOWNNQU-KRWDZBQOSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)cc1Cl	ZINC000102290303	569812117	/nfs/dbraw/zinc/81/21/17/569812117.db2.gz	CXNBUISPDYKULT-IAGOWNOFSA-N	-1	0	492.981	3.833	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC)cc5OC)oc4C)c=3c2=O)cc1	ZINC000102479244	569813542	/nfs/dbraw/zinc/81/35/42/569813542.db2.gz	LDXNXSRVDVHSOH-FGZHOGPDSA-N	-1	0	475.505	3.723	50	0		JHAARM
COCCOC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@H]1c1ccc(OCCC(=O)[O-])cc1	ZINC000040152364	569820132	/nfs/dbraw/zinc/82/01/32/569820132.db2.gz	IOZVZCBIYNAVGT-QHCPKHFHSA-N	-1	0	484.574	3.748	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000102755186	569821235	/nfs/dbraw/zinc/82/12/35/569821235.db2.gz	SZXFTLFDOZCYIQ-CQOQZXRMSA-N	-1	0	488.496	3.762	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2OC)cc1Cl	ZINC000102810867	569824037	/nfs/dbraw/zinc/82/40/37/569824037.db2.gz	NUADRWWXALYFGM-QGZVFWFLSA-N	-1	0	454.870	3.789	50	0		JHAARM
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3ccc(Br)cc3)cc21	ZINC000040450179	569828140	/nfs/dbraw/zinc/82/81/40/569828140.db2.gz	UMAYOFZSMACYCW-UHFFFAOYSA-N	-1	0	474.174	3.921	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1OC	ZINC000040450560	569828724	/nfs/dbraw/zinc/82/87/24/569828724.db2.gz	GIOHUIOQRXFOJH-LLVKDONJSA-N	-1	0	469.357	3.565	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c(OC)c1	ZINC000040450591	569828815	/nfs/dbraw/zinc/82/88/15/569828815.db2.gz	LARCTKHFCGZGBI-NSHDSACASA-N	-1	0	469.357	3.565	50	0		JHAARM
Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1	ZINC000046016270	569842310	/nfs/dbraw/zinc/84/23/10/569842310.db2.gz	GXQYJOIMAWUTHW-UHFFFAOYSA-N	-1	0	483.493	3.661	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1	ZINC000113562940	569861877	/nfs/dbraw/zinc/86/18/77/569861877.db2.gz	ZFRBRESPAWQVIP-XVJNWHFHSA-N	-1	0	465.314	3.997	50	0		JHAARM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000138604459	569866010	/nfs/dbraw/zinc/86/60/10/569866010.db2.gz	VBUCAXWMOKTTLE-QZNHQXDQSA-N	-1	0	492.459	3.592	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2ccccc2c1	ZINC000169558195	569868260	/nfs/dbraw/zinc/86/82/60/569868260.db2.gz	IYVWBKAVHZILOI-SVBPBHIXSA-N	-1	0	480.564	3.922	50	0		JHAARM
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccn3)[C@@H]2C(=O)N1c1ccc(Br)cc1	ZINC000229887893	570041708	/nfs/dbraw/zinc/04/17/08/570041708.db2.gz	PXQSRQFGAHTJNW-XUVXKRRUSA-N	-1	0	450.292	3.895	50	0		JHAARM
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(C(=O)OC)cc3)[C@H]2C1=O	ZINC000245327386	570065157	/nfs/dbraw/zinc/06/51/57/570065157.db2.gz	PHYDEOSRZXMINB-TZRRMPRUSA-N	-1	0	472.497	3.923	50	0		JHAARM
CC[C@](O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])C(C)C	ZINC000247658455	570068643	/nfs/dbraw/zinc/06/86/43/570068643.db2.gz	QYIURQHUQVHWLF-FCBAABPMSA-N	-1	0	482.687	3.900	50	0	biogenic	JHAARM
COc1ccc2cc([C@@H]3CC(=O)Oc4ccc(C(=O)c5ccccc5)c([O-])c43)c(=O)n(C)c2c1	ZINC000253412686	570097962	/nfs/dbraw/zinc/09/79/62/570097962.db2.gz	RSQZSZGXQMCFSG-IBGZPJMESA-N	-1	0	455.466	3.925	50	0	biogenic	JHAARM
COc1cc([C@@H](CC(=O)Nc2cccc(F)c2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471595	570099443	/nfs/dbraw/zinc/09/94/43/570099443.db2.gz	VTECIFNNFWVDJG-QGZVFWFLSA-N	-1	0	457.454	3.979	50	0		JHAARM
COc1ccc(NC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471550	570099466	/nfs/dbraw/zinc/09/94/66/570099466.db2.gz	UZQKKPNTYLJURG-SFHVURJKSA-N	-1	0	469.490	3.849	50	0		JHAARM
COc1cc([C@H](CC(=O)NCCc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471719	570099519	/nfs/dbraw/zinc/09/95/19/570099519.db2.gz	XZAXWCWZHOTTMV-IBGZPJMESA-N	-1	0	485.508	3.700	50	0		JHAARM
CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(OC(C)=O)C[C@H](OC(C)=O)CC[C@]4(C(=O)[O-])[C@@H]3CC[C@@]12C	ZINC000257350015	570153036	/nfs/dbraw/zinc/15/30/36/570153036.db2.gz	UBMMRXIZAPNXIB-GDVLGNQRSA-N	-1	0	478.582	3.891	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(OC)n1	ZINC000001003809	194001748	/nfs/dbraw/zinc/00/17/48/194001748.db2.gz	BKBZRXSPMLJDFI-UHFFFAOYSA-N	-1	0	463.903	3.592	50	0		JHAARM
COc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc(C(=O)[O-])c2)C(Cl)(Cl)Cl)cc1	ZINC000001232182	194077007	/nfs/dbraw/zinc/07/70/07/194077007.db2.gz	ZPODBWPRKGIUEJ-MRXNPFEDSA-N	-1	0	476.769	3.806	50	0		JHAARM
COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1	ZINC000001452581	194123287	/nfs/dbraw/zinc/12/32/87/194123287.db2.gz	DVDVPVMUMHQOJL-MRXNPFEDSA-N	-1	0	476.769	3.806	50	0		JHAARM
COc1ccc(C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])c2ccc(Cl)cc2)cc1OC	ZINC000001896407	194153714	/nfs/dbraw/zinc/15/37/14/194153714.db2.gz	NXSBVCGZBRRWPU-DYESRHJHSA-N	-1	0	465.955	3.994	50	0		JHAARM
O=C(NC[C@@H]1CCCO1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1	ZINC000002973704	194190166	/nfs/dbraw/zinc/19/01/66/194190166.db2.gz	QJKTXGIGMPAPAE-INIZCTEOSA-N	-1	0	474.380	3.779	50	0		JHAARM
CSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccc(Br)cc1-2	ZINC000002977676	194191662	/nfs/dbraw/zinc/19/16/62/194191662.db2.gz	DQCUDHFHVBSWKL-KRWDZBQOSA-N	-1	0	475.324	3.990	50	0		JHAARM
CSc1nnc2c(n1)O[C@H](c1ccccc1OCC(=O)[O-])Nc1ccc(Br)cc1-2	ZINC000002978206	194192133	/nfs/dbraw/zinc/19/21/33/194192133.db2.gz	JXTZLNXZOZAJOI-QGZVFWFLSA-N	-1	0	475.324	3.990	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCCC(=O)NCc3ccc(OC)cc3)c(=O)c2cc1OCC	ZINC000003010279	194203877	/nfs/dbraw/zinc/20/38/77/194203877.db2.gz	JGANUHROOVWHAX-UHFFFAOYSA-N	-1	0	471.579	3.962	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)s1	ZINC000002994378	194197474	/nfs/dbraw/zinc/19/74/74/194197474.db2.gz	OTCVQZKWEQWGBL-UHFFFAOYSA-N	-1	0	466.972	3.881	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F	ZINC000003202049	194238531	/nfs/dbraw/zinc/23/85/31/194238531.db2.gz	UDYDMJVXEOHVTJ-AHIWAGSCSA-N	-1	0	450.385	3.796	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(Br)c3)cc2)nc(C)n1	ZINC000003182121	194235618	/nfs/dbraw/zinc/23/56/18/194235618.db2.gz	ZCQSZIBPSMKVBD-UHFFFAOYSA-N	-1	0	461.341	3.909	50	0		JHAARM
CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1OC	ZINC000003346788	194293602	/nfs/dbraw/zinc/29/36/02/194293602.db2.gz	RUHDLLJTOXBMLK-UHFFFAOYSA-N	-1	0	456.524	3.717	50	0		JHAARM
COc1ccc(C(=O)NCCc2ccccn2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000003416428	194317308	/nfs/dbraw/zinc/31/73/08/194317308.db2.gz	PTNWWXRCXAWPIH-UHFFFAOYSA-N	-1	0	490.379	3.626	50	0		JHAARM
COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000003448091	194328000	/nfs/dbraw/zinc/32/80/00/194328000.db2.gz	ZMMFCKDOXVCESW-HXUWFJFHSA-N	-1	0	489.981	3.674	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(=O)c2cc(Cl)ccc2o1	ZINC000003609576	194340676	/nfs/dbraw/zinc/34/06/76/194340676.db2.gz	GKZSJLBKTFAGSS-UHFFFAOYSA-N	-1	0	461.908	3.956	50	0		JHAARM
COc1ccc(NC(=O)c2cc(I)cc(I)c2[O-])cc1	ZINC000004014016	194369539	/nfs/dbraw/zinc/36/95/39/194369539.db2.gz	VHSVVBYZUFKCOP-UHFFFAOYSA-N	-1	0	495.054	3.862	50	0		JHAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1	ZINC000004001645	194368410	/nfs/dbraw/zinc/36/84/10/194368410.db2.gz	VXYQAQZMMNWFLX-UHFFFAOYSA-N	-1	0	468.579	3.671	50	0		JHAARM
NC(=O)c1c([N-]C(NC(=O)c2ccco2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2	ZINC000004208922	194384589	/nfs/dbraw/zinc/38/45/89/194384589.db2.gz	NWBWEUIQXAOPAY-UHFFFAOYSA-N	-1	0	455.380	3.982	50	0		JHAARM
CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000004595849	194392589	/nfs/dbraw/zinc/39/25/89/194392589.db2.gz	AQDRRURIFXYFPY-HNNXBMFYSA-N	-1	0	472.544	3.936	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)ccc1OCC(=O)[O-]	ZINC000009233604	194619319	/nfs/dbraw/zinc/61/93/19/194619319.db2.gz	YVHOYSWSDHOOOU-CIAFOILYSA-N	-1	0	492.509	3.987	50	0		JHAARM
COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3ccc(-c4nc5ccccc5s4)o3)C2=O)cc1	ZINC000009875663	195008325	/nfs/dbraw/zinc/00/83/25/195008325.db2.gz	MBQICNLLDBYVPR-QHCPKHFHSA-N	-1	0	462.487	3.677	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(OC)c2)ccc1F	ZINC000012605631	195051404	/nfs/dbraw/zinc/05/14/04/195051404.db2.gz	QGZFUGPYJOBJGZ-UHFFFAOYSA-N	-1	0	460.483	3.905	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Sc2nncn2C)cc1	ZINC000012650196	195075637	/nfs/dbraw/zinc/07/56/37/195075637.db2.gz	SYOXYQGITQAKEQ-UHFFFAOYSA-N	-1	0	455.359	3.538	50	0		JHAARM
CCc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c1	ZINC000021089298	195274177	/nfs/dbraw/zinc/27/41/77/195274177.db2.gz	XUSHDLHQSOJGTJ-UHFFFAOYSA-N	-1	0	477.995	3.858	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)c1	ZINC000021154187	195284340	/nfs/dbraw/zinc/28/43/40/195284340.db2.gz	QGECPNGTIWIRII-UHFFFAOYSA-N	-1	0	463.600	3.866	50	0		JHAARM
COc1ccc(NC(=O)CCCn2c(C)csc2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000021201212	195291447	/nfs/dbraw/zinc/29/14/47/195291447.db2.gz	IRLJDFBNZYOKDI-UHFFFAOYSA-N	-1	0	479.555	3.586	50	0		JHAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1C	ZINC000096317742	130062015	/nfs/dbraw/zinc/06/20/15/130062015.db2.gz	YZOBDADKOTWHKZ-CYBMUJFWSA-N	-1	0	480.587	3.671	50	0		JHAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1C	ZINC000096317740	130062030	/nfs/dbraw/zinc/06/20/30/130062030.db2.gz	MGJNUCHHVGMJLE-GFCCVEGCSA-N	-1	0	492.579	3.610	50	0		JHAARM
CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)N[C@H](C)CC)c1	ZINC000096317721	130062083	/nfs/dbraw/zinc/06/20/83/130062083.db2.gz	MOHQWDIRYDCMFE-CYBMUJFWSA-N	-1	0	480.587	3.862	50	0		JHAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C	ZINC000096317920	130062638	/nfs/dbraw/zinc/06/26/38/130062638.db2.gz	WXDCHXASTHRBAO-CYBMUJFWSA-N	-1	0	478.571	3.688	50	0		JHAARM
CCN(C(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1)C1CCCCC1	ZINC000020025036	520041259	/nfs/dbraw/zinc/04/12/59/520041259.db2.gz	AMIOOKBZIMUQNJ-INIZCTEOSA-N	-1	0	463.556	3.510	50	0		JHAARM
CCOc1ccc(N2C[C@@H](c3nnc([N-]C(=O)c4ccc(Br)o4)o3)CC2=O)cc1	ZINC000033169894	521042742	/nfs/dbraw/zinc/04/27/42/521042742.db2.gz	MJCOVMCGDRWUCF-NSHDSACASA-N	-1	0	461.272	3.597	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2C(=O)[O-])C1	ZINC000033253402	521119894	/nfs/dbraw/zinc/11/98/94/521119894.db2.gz	IBMGABITWMEMLS-QGZVFWFLSA-N	-1	0	460.552	3.528	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(OC)c(Cl)c2)C1	ZINC000033253868	521120641	/nfs/dbraw/zinc/12/06/41/521120641.db2.gz	YUXOZJGLTVBGCA-OAHLLOKOSA-N	-1	0	496.969	3.627	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccccc3F)CC2)cc1	ZINC000006174022	521210038	/nfs/dbraw/zinc/21/00/38/521210038.db2.gz	PFNRGYFDKBFWJK-UHFFFAOYSA-N	-1	0	483.565	3.988	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2C(=O)[O-])C1	ZINC000033253425	521302975	/nfs/dbraw/zinc/30/29/75/521302975.db2.gz	AFYFFIMQUZSYAI-KRWDZBQOSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(CC)cc2)C1	ZINC000033253873	521303812	/nfs/dbraw/zinc/30/38/12/521303812.db2.gz	UNVLMZKAEAFZIG-SFHVURJKSA-N	-1	0	460.552	3.528	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-]	ZINC000033253799	521669547	/nfs/dbraw/zinc/66/95/47/521669547.db2.gz	IZQUFZACUPEGDP-UHFFFAOYSA-N	-1	0	460.531	3.876	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c1)NC(=O)CCC2=O	ZINC000033276756	522707165	/nfs/dbraw/zinc/70/71/65/522707165.db2.gz	JKBBWPSOUOCYKG-UHFFFAOYSA-N	-1	0	490.488	3.573	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc(OC)c1	ZINC000033303173	522753173	/nfs/dbraw/zinc/75/31/73/522753173.db2.gz	HUHODPYQEUJQOE-FNORWQNLSA-N	-1	0	463.537	3.991	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)cc(OC)c1OC	ZINC000065009757	522754258	/nfs/dbraw/zinc/75/42/58/522754258.db2.gz	GOPJNISYTAAHHF-UHFFFAOYSA-N	-1	0	451.526	3.892	50	0		JHAARM
COc1ccc(-c2nc(CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1OC	ZINC000080357950	523196592	/nfs/dbraw/zinc/19/65/92/523196592.db2.gz	UQZVYJFDPMLKGZ-LJQANCHMSA-N	-1	0	465.531	3.663	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2[nH]c([C@H]3CCCO3)nc2c1	ZINC000048312122	523508075	/nfs/dbraw/zinc/50/80/75/523508075.db2.gz	DWHCWETZEAQVED-MRXNPFEDSA-N	-1	0	452.330	3.986	50	0		JHAARM
C[C@H](CCc1ccccc1)NC(=O)CCC1=Nc2cc(C(F)(F)F)ccc2S(=O)(=O)[N-]1	ZINC000021653438	524241668	/nfs/dbraw/zinc/24/16/68/524241668.db2.gz	BOHYGMMRKZOUFQ-CQSZACIVSA-N	-1	0	453.486	3.945	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1	ZINC000033253071	524563737	/nfs/dbraw/zinc/56/37/37/524563737.db2.gz	QQTQVTBODYFJNW-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(NC(=O)Cc4cccs4)c(C(=O)[O-])c3)CC2)c1	ZINC000045967760	524596220	/nfs/dbraw/zinc/59/62/20/524596220.db2.gz	GOOPFLLGBNUHJS-UHFFFAOYSA-N	-1	0	492.601	3.697	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCO3)cc1	ZINC000006144573	524641150	/nfs/dbraw/zinc/64/11/50/524641150.db2.gz	MJGSXKDZNJPQEQ-MDWZMJQESA-N	-1	0	452.488	3.877	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)c1	ZINC000033253139	524805374	/nfs/dbraw/zinc/80/53/74/524805374.db2.gz	XIJINOLXLODUPW-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1	ZINC000045941074	525112796	/nfs/dbraw/zinc/11/27/96/525112796.db2.gz	DNRJOVVAPRQKBJ-UHFFFAOYSA-N	-1	0	455.561	3.838	50	0		JHAARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1	ZINC000016263281	525463143	/nfs/dbraw/zinc/46/31/43/525463143.db2.gz	DQGQTGXWFWAPSA-JOCHJYFZSA-N	-1	0	467.932	3.838	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cn2CC(=O)N2CCCCC2)n1	ZINC000033307646	526300932	/nfs/dbraw/zinc/30/09/32/526300932.db2.gz	KTODPWBZFIDMGB-UHFFFAOYSA-N	-1	0	462.572	3.872	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000033078640	526351478	/nfs/dbraw/zinc/35/14/78/526351478.db2.gz	MHWZWQNBOQNQQV-UHFFFAOYSA-N	-1	0	465.531	3.750	50	0		JHAARM
NC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1	ZINC000022851952	526857658	/nfs/dbraw/zinc/85/76/58/526857658.db2.gz	PEBXWVSUJBGKML-MRXNPFEDSA-N	-1	0	457.943	3.697	50	0		JHAARM
O=C([O-])C=CC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000008856111	527542624	/nfs/dbraw/zinc/54/26/24/527542624.db2.gz	XYQVVBNCEUNHOJ-HPZRCCEDSA-N	-1	0	470.953	3.658	50	0		JHAARM
O=C([O-])CCCCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1	ZINC000002322823	527579107	/nfs/dbraw/zinc/57/91/07/527579107.db2.gz	REZPOFWUTKTQHJ-XDJHFCHBSA-N	-1	0	459.340	3.981	50	0		JHAARM
O=C(/C=C/c1ccc(F)cc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000006088988	527610936	/nfs/dbraw/zinc/61/09/36/527610936.db2.gz	ALROOFIJOJHJQM-XCVCLJGOSA-N	-1	0	462.553	3.609	50	0		JHAARM
O=C(COc1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000000958055	553884573	/nfs/dbraw/zinc/88/45/73/553884573.db2.gz	RUQUAGHAUONNGY-UHFFFAOYSA-N	-1	0	462.325	3.662	50	0		JHAARM
Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000001791734	553990506	/nfs/dbraw/zinc/99/05/06/553990506.db2.gz	BFCKDVCSFWUYIB-UHFFFAOYSA-N	-1	0	476.514	3.884	50	0		JHAARM
CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])ccc12	ZINC000002115555	554053152	/nfs/dbraw/zinc/05/31/52/554053152.db2.gz	SAKKCIKOSJZHCJ-FQEVSTJZSA-N	-1	0	455.532	3.627	50	0	biogenic	JHAARM
Cc1c2ccc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1	ZINC000002146041	554066420	/nfs/dbraw/zinc/06/64/20/554066420.db2.gz	KTZOKINREVUDBT-DEOSSOPVSA-N	-1	0	471.509	3.883	50	0	biogenic	JHAARM
CCOC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000002195053	554088686	/nfs/dbraw/zinc/08/86/86/554088686.db2.gz	SZTMTWQHRYUGOH-UHFFFAOYSA-N	-1	0	462.578	3.930	50	0		JHAARM
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000002308310	554142579	/nfs/dbraw/zinc/14/25/79/554142579.db2.gz	KGWFVGQWZDHNGE-UHFFFAOYSA-N	-1	0	472.545	3.870	50	0		JHAARM
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000002577888	554237361	/nfs/dbraw/zinc/23/73/61/554237361.db2.gz	FJEXPICLVWOJSE-QVKFZJNVSA-N	-1	0	452.507	3.988	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)n1	ZINC000002812960	554361212	/nfs/dbraw/zinc/36/12/12/554361212.db2.gz	HJLVBPYNDUIVPO-UHFFFAOYSA-N	-1	0	468.560	3.848	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NC3CCCCCC3)cc1)c2=O	ZINC000002973511	554414460	/nfs/dbraw/zinc/41/44/60/554414460.db2.gz	YTEWOYCESUJYGC-UHFFFAOYSA-N	-1	0	465.575	3.973	50	0		JHAARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)N1CCc2ccccc2C1	ZINC000006144139	554510052	/nfs/dbraw/zinc/51/00/52/554510052.db2.gz	HYZADSHWHZKCJK-INIZCTEOSA-N	-1	0	470.572	3.679	50	0		JHAARM
COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000006144294	554510070	/nfs/dbraw/zinc/51/00/70/554510070.db2.gz	AKIJKNSMSPPMRB-IBGZPJMESA-N	-1	0	496.585	3.975	50	0		JHAARM
COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000006196216	554518620	/nfs/dbraw/zinc/51/86/20/554518620.db2.gz	PIVITZSMNXPUAY-UHFFFAOYSA-N	-1	0	469.519	3.715	50	0		JHAARM
CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000008914785	554807954	/nfs/dbraw/zinc/80/79/54/554807954.db2.gz	LSCLRBHBXHQEAW-HJNYFJLDSA-N	-1	0	480.565	3.666	50	0		JHAARM
CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000008994524	554854326	/nfs/dbraw/zinc/85/43/26/554854326.db2.gz	CXOIAIBSUNQVID-SFTDATJTSA-N	-1	0	491.548	3.512	50	0	biogenic	JHAARM
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O	ZINC000009245020	555020315	/nfs/dbraw/zinc/02/03/15/555020315.db2.gz	AVSBHYZRLLZZDB-ROUUACIJSA-N	-1	0	493.589	3.783	50	0		JHAARM
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O	ZINC000009245018	555020419	/nfs/dbraw/zinc/02/04/19/555020419.db2.gz	AVSBHYZRLLZZDB-ZWKOTPCHSA-N	-1	0	493.589	3.783	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1	ZINC000009335823	555103531	/nfs/dbraw/zinc/10/35/31/555103531.db2.gz	HJCZJOUIKUBDPL-MQMQVCBVSA-N	-1	0	494.569	3.808	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cccnc2Cl)cc1	ZINC000009352285	555117657	/nfs/dbraw/zinc/11/76/57/555117657.db2.gz	HYGXYZJYDRIKHW-UHFFFAOYSA-N	-1	0	489.937	3.730	50	0		JHAARM
Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(Br)cc(Br)c1[O-]	ZINC000009465289	555239236	/nfs/dbraw/zinc/23/92/36/555239236.db2.gz	KMISTLWJSNSORW-UHFFFAOYSA-N	-1	0	456.134	3.903	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000009467540	555244839	/nfs/dbraw/zinc/24/48/39/555244839.db2.gz	POZTZQMSTIWAQQ-UHFFFAOYSA-N	-1	0	458.989	3.714	50	0		JHAARM
COC(=O)c1cc(CN(C)c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)oc1C	ZINC000009468103	555246980	/nfs/dbraw/zinc/24/69/80/555246980.db2.gz	AQDZNTFJZKAHQH-UHFFFAOYSA-N	-1	0	466.519	3.755	50	0		JHAARM
O=C(CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1)N1CCCC1	ZINC000009468850	555249642	/nfs/dbraw/zinc/24/96/42/555249642.db2.gz	JRYRXUJTFOPKSN-UHFFFAOYSA-N	-1	0	470.378	3.537	50	0		JHAARM
COc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1	ZINC000009468833	555249751	/nfs/dbraw/zinc/24/97/51/555249751.db2.gz	IUAMYOLXOMOOGV-UHFFFAOYSA-N	-1	0	469.519	3.715	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCSc4ccc(C)cc4)CC3)cc21	ZINC000009469690	555252574	/nfs/dbraw/zinc/25/25/74/555252574.db2.gz	OYOWKMSZNBHGNV-UHFFFAOYSA-N	-1	0	497.592	3.998	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc(F)c2)c1	ZINC000009540600	555333681	/nfs/dbraw/zinc/33/36/81/555333681.db2.gz	OJJIWLDDUQNLCF-UHFFFAOYSA-N	-1	0	460.483	3.661	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)c(OCC)c1	ZINC000009650659	555362318	/nfs/dbraw/zinc/36/23/18/555362318.db2.gz	NGIHORRQPZZZNS-UHFFFAOYSA-N	-1	0	491.591	3.535	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4cccc5ccccc54)CC3)cc21	ZINC000013178935	555369204	/nfs/dbraw/zinc/36/92/04/555369204.db2.gz	GBHMWWQOMDDZCJ-UHFFFAOYSA-N	-1	0	473.504	3.974	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1	ZINC000013402396	555396026	/nfs/dbraw/zinc/39/60/26/555396026.db2.gz	XXQNHKDISMGEHD-KRWDZBQOSA-N	-1	0	467.576	3.727	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)cc1NC(C)=O	ZINC000009596684	555413372	/nfs/dbraw/zinc/41/33/72/555413372.db2.gz	JHGOIPLNPDKHEV-UHFFFAOYSA-N	-1	0	457.483	3.846	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1	ZINC000009601200	555425424	/nfs/dbraw/zinc/42/54/24/555425424.db2.gz	JDILCABNRSKHNX-OAHLLOKOSA-N	-1	0	467.551	3.526	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)/C=C/c3ccc4c(c3)OCO4)ccc2OC)cc1	ZINC000009631577	555460835	/nfs/dbraw/zinc/46/08/35/555460835.db2.gz	UWDWZVMMFVLEIF-UUILKARUSA-N	-1	0	482.514	3.885	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)Oc2ccccc2)c1	ZINC000009742358	555473949	/nfs/dbraw/zinc/47/39/49/555473949.db2.gz	MNRHAPQXKJRGPR-MRXNPFEDSA-N	-1	0	456.520	3.911	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@@H](c1cc(OC)c(OC)cc1OC)N(C)C2=O	ZINC000009776746	555495000	/nfs/dbraw/zinc/49/50/00/555495000.db2.gz	KHDARFHXDIOBGP-FGZHOGPDSA-N	-1	0	459.495	3.505	50	0		JHAARM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)CCc4ccccc4F)CC3)c(F)cc2c1=O	ZINC000009783296	555504481	/nfs/dbraw/zinc/50/44/81/555504481.db2.gz	LNDTUFSCOKZIPV-UHFFFAOYSA-N	-1	0	481.499	3.594	50	0		JHAARM
O=C([O-])[C@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@@H]2c3cc(Br)ccc3C(=O)O[C@@H]21	ZINC000013574879	555513408	/nfs/dbraw/zinc/51/34/08/555513408.db2.gz	OREZDCBPAATILW-YCPHGPKFSA-N	-1	0	490.356	3.891	50	0		JHAARM
C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1	ZINC000013579175	555517930	/nfs/dbraw/zinc/51/79/30/555517930.db2.gz	BYAFJRRNIFPOBE-INIZCTEOSA-N	-1	0	458.470	3.772	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cccc4ncccc43)cs2)cc1	ZINC000013688251	555581370	/nfs/dbraw/zinc/58/13/70/555581370.db2.gz	SLVMQXBGHGROGP-UHFFFAOYSA-N	-1	0	454.533	3.682	50	0		JHAARM
CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccccc3Oc3ccccc3)cc2)C1=O	ZINC000013691517	555585906	/nfs/dbraw/zinc/58/59/06/555585906.db2.gz	GJBOHEFXUAMQTI-UHFFFAOYSA-N	-1	0	486.571	3.982	50	0		JHAARM
O=C(NC[C@@H](O)c1ccccc1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000013721942	555597562	/nfs/dbraw/zinc/59/75/62/555597562.db2.gz	ZKCGILICYLBSPA-LJQANCHMSA-N	-1	0	471.535	3.700	50	0		JHAARM
O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1)N1CCSCC1	ZINC000013727310	555601181	/nfs/dbraw/zinc/60/11/81/555601181.db2.gz	ZUNDOVVPQMNDDB-UHFFFAOYSA-N	-1	0	453.998	3.940	50	0		JHAARM
CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)[O-])ccc4C)cc3C2=O)c1	ZINC000020076593	555628598	/nfs/dbraw/zinc/62/85/98/555628598.db2.gz	TVTDNILTOJYARH-UHFFFAOYSA-N	-1	0	458.426	3.671	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)c(OC)cc1Cl	ZINC000013941640	555652493	/nfs/dbraw/zinc/65/24/93/555652493.db2.gz	HEKUXGKTQNIOJV-UHFFFAOYSA-N	-1	0	468.959	3.793	50	0		JHAARM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)N1	ZINC000014009272	555669172	/nfs/dbraw/zinc/66/91/72/555669172.db2.gz	JRUIGGNTQZDKGW-RIYZIHGNSA-N	-1	0	452.102	3.971	50	0		JHAARM
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccccc2Cl)c3=O)CC1	ZINC000010274395	555669987	/nfs/dbraw/zinc/66/99/87/555669987.db2.gz	LKISTNZRBOMCLH-UHFFFAOYSA-N	-1	0	486.981	3.675	50	0		JHAARM
O=S(=O)([N-]c1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1ccc(F)cc1F	ZINC000014058214	555675316	/nfs/dbraw/zinc/67/53/16/555675316.db2.gz	GHPNBHQSHBFOSE-UHFFFAOYSA-N	-1	0	464.457	3.932	50	0		JHAARM
CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(=O)[O-])c2ccc(C)cc2)cc1	ZINC000020239528	555733640	/nfs/dbraw/zinc/73/36/40/555733640.db2.gz	VEBBNDVEILJGKV-UHFFFAOYSA-N	-1	0	468.531	3.926	50	0		JHAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(N(C)C)cc1	ZINC000010923439	555747690	/nfs/dbraw/zinc/74/76/90/555747690.db2.gz	SLDVBYJPYFSZGU-OAHLLOKOSA-N	-1	0	473.576	3.799	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N4CCN(c5cccc(Cl)c5)CC4)c3=O)c2c1	ZINC000020330391	555775393	/nfs/dbraw/zinc/77/53/93/555775393.db2.gz	KMPRQNYXVHWTTC-UHFFFAOYSA-N	-1	0	498.008	3.941	50	0		JHAARM
COc1ccc(CCNC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)cc1OC	ZINC000020532753	555803562	/nfs/dbraw/zinc/80/35/62/555803562.db2.gz	OVONBNHRRXLHDB-UHFFFAOYSA-N	-1	0	475.954	3.526	50	0		JHAARM
Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc12	ZINC000011865476	555839831	/nfs/dbraw/zinc/83/98/31/555839831.db2.gz	HDCQVEWMGBTZJT-JOCHJYFZSA-N	-1	0	498.576	3.728	50	0		JHAARM
COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OCC(N)=O	ZINC000015082321	555873309	/nfs/dbraw/zinc/87/33/09/555873309.db2.gz	LKDAWBGGJMYHIW-CQSZACIVSA-N	-1	0	470.478	3.599	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1cc(F)ccc1F	ZINC000012180418	555934666	/nfs/dbraw/zinc/93/46/66/555934666.db2.gz	VMOSYPGQHBFVPJ-UHFFFAOYSA-N	-1	0	464.515	3.907	50	0		JHAARM
O=C([N-]C(=O)c1ccccc1F)OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000012375336	555962249	/nfs/dbraw/zinc/96/22/49/555962249.db2.gz	OOZIEXOXMCEBRS-UHFFFAOYSA-N	-1	0	474.842	3.582	50	0		JHAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(Cc3ccccc3)CC2)cc1OC	ZINC000022875353	555963249	/nfs/dbraw/zinc/96/32/49/555963249.db2.gz	CBOKKGOQVGRUGH-JOCHJYFZSA-N	-1	0	479.606	3.729	50	0		JHAARM
CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000012382133	555970892	/nfs/dbraw/zinc/97/08/92/555970892.db2.gz	TXKDIQNJWBYHSI-HJDVLLJCSA-N	-1	0	459.340	3.836	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(-n4cncn4)nc3)ccc2Cl)cc1	ZINC000023055515	556003638	/nfs/dbraw/zinc/00/36/38/556003638.db2.gz	MJYBNADSHJJFNJ-UHFFFAOYSA-N	-1	0	498.952	3.768	50	0		JHAARM
CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)c(OC)c3OC)C2)c([O-])[nH]c1=S	ZINC000015834906	556019943	/nfs/dbraw/zinc/01/99/43/556019943.db2.gz	HCPKWHPINOAGLO-OAHLLOKOSA-N	-1	0	490.582	3.525	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000015919297	556066689	/nfs/dbraw/zinc/06/66/89/556066689.db2.gz	LXEWKVNWRYYKDL-SFTDATJTSA-N	-1	0	465.550	3.913	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3ccc(F)c(F)c3)cs2)cc1	ZINC000016848533	556169910	/nfs/dbraw/zinc/16/99/10/556169910.db2.gz	KVRZFEKFXPCTQX-UHFFFAOYSA-N	-1	0	453.492	3.802	50	0		JHAARM
COC(=O)C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1cccs1	ZINC000025086863	556179059	/nfs/dbraw/zinc/17/90/59/556179059.db2.gz	TWNDXNSSFBSNLQ-OAHLLOKOSA-N	-1	0	450.563	3.645	50	0		JHAARM
COC(=O)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1cccs1	ZINC000025084904	556179137	/nfs/dbraw/zinc/17/91/37/556179137.db2.gz	YPJCVBDEYRXKRC-GOSISDBHSA-N	-1	0	488.587	3.900	50	0		JHAARM
COCCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1ccc(Br)cc1	ZINC000013075578	556277107	/nfs/dbraw/zinc/27/71/07/556277107.db2.gz	SXLDNVUWFVUBMB-IBGZPJMESA-N	-1	0	489.322	3.882	50	0		JHAARM
O=C([O-])c1ccc(N2C(=S)N=NC2CCCN2C(=O)c3cccc4cccc(c43)C2=O)cc1	ZINC000027750559	556305594	/nfs/dbraw/zinc/30/55/94/556305594.db2.gz	MEILAZSUXZSLPN-UHFFFAOYSA-N	-1	0	458.499	3.636	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1	ZINC000013130232	556355126	/nfs/dbraw/zinc/35/51/26/556355126.db2.gz	WMROGXGPDXTMBI-BJYRUZDYSA-N	-1	0	471.488	3.890	50	0	biogenic	JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)N1CCC(C)CC1	ZINC000029867967	556359632	/nfs/dbraw/zinc/35/96/32/556359632.db2.gz	YSORKKQOGRKPJX-QGZVFWFLSA-N	-1	0	462.543	3.739	50	0		JHAARM
O=C(c1cc(Cl)c([O-])c(Cl)c1)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	ZINC000013134894	556365082	/nfs/dbraw/zinc/36/50/82/556365082.db2.gz	YALJYCMWPTVGLN-UHFFFAOYSA-N	-1	0	494.194	3.608	50	0		JHAARM
O=C([O-])[C@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(C(=O)c2ccco2)CC1	ZINC000032101526	556417001	/nfs/dbraw/zinc/41/70/01/556417001.db2.gz	UWJXLZKNXHBPMG-DEOSSOPVSA-N	-1	0	459.502	3.924	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2nnc(-c3cccs3)o2)cc1	ZINC000032667933	556467307	/nfs/dbraw/zinc/46/73/07/556467307.db2.gz	IHSPSYZSZHIZLH-UHFFFAOYSA-N	-1	0	471.516	3.965	50	0		JHAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccccc3)CC2)c1	ZINC000032947025	556562241	/nfs/dbraw/zinc/56/22/41/556562241.db2.gz	YNAVQYAWFNOCSV-UHFFFAOYSA-N	-1	0	472.545	3.706	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccc(Br)cc2)CC1	ZINC000032947127	556562594	/nfs/dbraw/zinc/56/25/94/556562594.db2.gz	NJWIZOTVMVLOMI-UHFFFAOYSA-N	-1	0	476.327	3.678	50	0		JHAARM
Cc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000001115827	562919767	/nfs/dbraw/zinc/91/97/67/562919767.db2.gz	NMQGWSIHJBGHRW-RTWAWAEBSA-N	-1	0	463.534	3.689	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N(CC)CC)c1	ZINC000008686670	562953026	/nfs/dbraw/zinc/95/30/26/562953026.db2.gz	LHVXRZLZCGJDFM-UHFFFAOYSA-N	-1	0	491.429	3.679	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1	ZINC000008687549	562953484	/nfs/dbraw/zinc/95/34/84/562953484.db2.gz	VXGWDNRUVQACDM-SSUIOBEFSA-N	-1	0	483.318	3.625	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)n1	ZINC000008722869	569599141	/nfs/dbraw/zinc/59/91/41/569599141.db2.gz	TUCOXUVLCLSJAY-OAHLLOKOSA-N	-1	0	460.943	3.954	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ccccc3F)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1	ZINC000032961954	569602693	/nfs/dbraw/zinc/60/26/93/569602693.db2.gz	AIFXCHYDECSLIV-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000032975777	569606358	/nfs/dbraw/zinc/60/63/58/569606358.db2.gz	HMJKZZGUZISHIX-QZTJIDSGSA-N	-1	0	460.527	3.619	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(C)c4)CC3)cc2C(=O)[O-])cc1	ZINC000033006904	569615026	/nfs/dbraw/zinc/61/50/26/569615026.db2.gz	KJIFLWSJSISQFS-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3cc(C(=O)[O-])c4cc(NC(=O)C5CC5)ccc4n3)CC2)cc1	ZINC000033010405	569616682	/nfs/dbraw/zinc/61/66/82/569616682.db2.gz	AFWIZIZHDPZFON-UHFFFAOYSA-N	-1	0	458.518	3.811	50	0		JHAARM
CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC	ZINC000064580486	569620361	/nfs/dbraw/zinc/62/03/61/569620361.db2.gz	SLNQNPCLJXKVDZ-UHFFFAOYSA-N	-1	0	469.563	3.696	50	0		JHAARM
CCCCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1C(=O)[O-]	ZINC000064589755	569621230	/nfs/dbraw/zinc/62/12/30/569621230.db2.gz	ZTZOTMVSNUVRPP-UHFFFAOYSA-N	-1	0	452.555	3.583	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c(C)c1	ZINC000064844129	569638269	/nfs/dbraw/zinc/63/82/69/569638269.db2.gz	OJVFZDVMIUMJEG-FQEVSTJZSA-N	-1	0	486.638	3.818	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)c(C)c1	ZINC000064844161	569638388	/nfs/dbraw/zinc/63/83/88/569638388.db2.gz	IHLUQDFYQFDHRG-LJQANCHMSA-N	-1	0	472.611	3.510	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2C)c1	ZINC000065036369	569653378	/nfs/dbraw/zinc/65/33/78/569653378.db2.gz	AHWNBDVQZDMRIM-UHFFFAOYSA-N	-1	0	474.608	3.811	50	0		JHAARM
CCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)nc1	ZINC000065063451	569656687	/nfs/dbraw/zinc/65/66/87/569656687.db2.gz	YQSUNMWMWAMORL-UHFFFAOYSA-N	-1	0	471.535	3.832	50	0		JHAARM
O=C(CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O)NCc1ccccn1	ZINC000034763156	569658082	/nfs/dbraw/zinc/65/80/82/569658082.db2.gz	XIARBKBNFROYND-UHFFFAOYSA-N	-1	0	459.481	3.606	50	0		JHAARM
COc1cc(OC)cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)c1	ZINC000034768196	569658875	/nfs/dbraw/zinc/65/88/75/569658875.db2.gz	KFLJMNLNOWOEEO-UHFFFAOYSA-N	-1	0	462.428	3.529	50	0		JHAARM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1	ZINC000065097402	569661208	/nfs/dbraw/zinc/66/12/08/569661208.db2.gz	ZKASQSGSIVUYFL-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)o1)N1CCCCC1	ZINC000065098908	569662030	/nfs/dbraw/zinc/66/20/30/569662030.db2.gz	MSCXHKYVRRYUSF-UHFFFAOYSA-N	-1	0	452.945	3.878	50	0		JHAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3c(CC)noc3NC(C)=O)ccc2OC)cc1	ZINC000065116170	569666086	/nfs/dbraw/zinc/66/60/86/569666086.db2.gz	TYGOEVXKFGHELD-UHFFFAOYSA-N	-1	0	487.534	3.849	50	0		JHAARM
O=C([O-])C1(CCc2ccccc2Br)CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000034936187	569673641	/nfs/dbraw/zinc/67/36/41/569673641.db2.gz	ZQXKJOUMCDGHKO-UHFFFAOYSA-N	-1	0	452.370	3.937	50	0		JHAARM
Cc1ccc(-c2nsc([N-]S(=O)(=O)c3c(C)cc(C)c(NS(C)(=O)=O)c3C)n2)s1	ZINC000065535774	569675786	/nfs/dbraw/zinc/67/57/86/569675786.db2.gz	TZYZAWQLOJKADW-UHFFFAOYSA-N	-1	0	472.639	3.673	50	0		JHAARM
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cccc(F)c4)c32)c(OC)c2c1OCO2	ZINC000066087930	569676809	/nfs/dbraw/zinc/67/68/09/569676809.db2.gz	ZQQUJIJFTGLMKL-ZDUSSCGKSA-N	-1	0	454.410	3.535	50	0		JHAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC	ZINC000085652102	569714037	/nfs/dbraw/zinc/71/40/37/569714037.db2.gz	RILHLRHZBBHOMZ-UHFFFAOYSA-N	-1	0	480.546	3.876	50	0		JHAARM
CCc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2OC)cc1	ZINC000085652103	569714056	/nfs/dbraw/zinc/71/40/56/569714056.db2.gz	HSEWQVGEYZMIBH-UHFFFAOYSA-N	-1	0	480.546	3.876	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000085652100	569714077	/nfs/dbraw/zinc/71/40/77/569714077.db2.gz	PKBGOAUIVDLCKK-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
COc1ccccc1NC(=O)N1CCC(CNC(=O)C[C@H](CC(=O)[O-])c2cccs2)CC1	ZINC000090607351	569721078	/nfs/dbraw/zinc/72/10/78/569721078.db2.gz	WDYLDKOGZUDWEJ-QGZVFWFLSA-N	-1	0	459.568	3.765	50	0		JHAARM
CC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2-c2ccccc2)c(S(=O)(=O)NCC(C)C)c1	ZINC000095841690	569728812	/nfs/dbraw/zinc/72/88/12/569728812.db2.gz	JUFLURNWRBGZFS-UHFFFAOYSA-N	-1	0	486.550	3.564	50	0		JHAARM
O=C(C[C@H](c1ccncc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096115195	569734234	/nfs/dbraw/zinc/73/42/34/569734234.db2.gz	RLYAVTMMLJUKTQ-LJQANCHMSA-N	-1	0	472.497	3.647	50	0	biogenic	JHAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc21	ZINC000036366997	569772998	/nfs/dbraw/zinc/77/29/98/569772998.db2.gz	BONYXCABKCLINY-BSBODGDASA-N	-1	0	467.953	3.836	50	0		JHAARM
COc1ccccc1N1CCN(Cc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)[n-]c3n2)CC1	ZINC000101747787	569803588	/nfs/dbraw/zinc/80/35/88/569803588.db2.gz	YEWJLKKIDOMUEE-UHFFFAOYSA-N	-1	0	472.593	3.713	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)Cc2c(C)[n-]n(-c3nc(-c4ccccc4)cs3)c2=O)CC1	ZINC000101831117	569805559	/nfs/dbraw/zinc/80/55/59/569805559.db2.gz	FMDMGDOVGDOSRB-UHFFFAOYSA-N	-1	0	489.601	3.910	50	0		JHAARM
COc1ccccc1NC(=O)c1cnn2c1N=C(C(=O)[O-])C[C@@H]2c1cccc(Br)c1	ZINC000101836042	569805949	/nfs/dbraw/zinc/80/59/49/569805949.db2.gz	BXXTXXGZOWNNQU-QGZVFWFLSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2Br)cc1OC	ZINC000101836706	569806014	/nfs/dbraw/zinc/80/60/14/569806014.db2.gz	WLBZADSYMQTYGO-KRWDZBQOSA-N	-1	0	499.321	3.899	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101893786	569807705	/nfs/dbraw/zinc/80/77/05/569807705.db2.gz	MZMONPCCELJBHQ-DLBZAZTESA-N	-1	0	456.384	3.557	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1C	ZINC000102290356	569812110	/nfs/dbraw/zinc/81/21/10/569812110.db2.gz	FJVAYQHKHLBJFP-ROUUACIJSA-N	-1	0	460.527	3.619	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)c1	ZINC000102479094	569813464	/nfs/dbraw/zinc/81/34/64/569813464.db2.gz	GSSZRAKBQSDWEZ-RTBURBONSA-N	-1	0	451.870	3.805	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1OC	ZINC000040450394	569828334	/nfs/dbraw/zinc/82/83/34/569828334.db2.gz	FNWJWBIRGDNYII-UHFFFAOYSA-N	-1	0	481.368	3.566	50	0		JHAARM
Cc1cc2nc(COc3ccc(Cl)cc3[N-]S(=O)(=O)c3ccc(C)cc3)cc(=O)n2o1	ZINC000041089514	569837155	/nfs/dbraw/zinc/83/71/55/569837155.db2.gz	HBINKBLAVMFOIX-UHFFFAOYSA-N	-1	0	459.911	3.938	50	0		JHAARM
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(OC)c2OC)CC(=O)N3)c(OC)c1	ZINC000049543317	569848470	/nfs/dbraw/zinc/84/84/70/569848470.db2.gz	UFCIPCDXZONSQE-HNNXBMFYSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)C[C@H]1C(=O)[O-]	ZINC000169725689	569871573	/nfs/dbraw/zinc/87/15/73/569871573.db2.gz	WFZNGEOSQOLVHE-ZDUSSCGKSA-N	-1	0	453.255	3.978	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4C[C@H](C)C[C@@H](C)[C@@H]43)C2=O)cc1	ZINC000248134830	570075095	/nfs/dbraw/zinc/07/50/95/570075095.db2.gz	MHYIXUUGVOGOGQ-MYLOEWHJSA-N	-1	0	451.498	3.511	50	0		JHAARM
O=c1c(=Cc2cc(Br)c([O-])c(Br)c2)sc2nc3ccccc3n12	ZINC000252675039	570093219	/nfs/dbraw/zinc/09/32/19/570093219.db2.gz	SSOADXHIJKEGBK-UHFFFAOYSA-N	-1	0	452.127	3.688	50	0		JHAARM
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)cc2)c2c([O-])c3ccccc3oc2=O)cc1O	ZINC000253471452	570099280	/nfs/dbraw/zinc/09/92/80/570099280.db2.gz	SUMWVPJQWHRVDF-HXUWFJFHSA-N	-1	0	475.497	3.799	50	0		JHAARM
COc1ccc([C@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471671	570099416	/nfs/dbraw/zinc/09/94/16/570099416.db2.gz	WZGKXWLCISWALH-SFHVURJKSA-N	-1	0	469.490	3.849	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3cccc(C)c3C)cc2)nc(C)n1	ZINC000001125526	194035853	/nfs/dbraw/zinc/03/58/53/194035853.db2.gz	ZRXDAIGLNKNDIN-QGZVFWFLSA-N	-1	0	454.552	3.917	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2)cc1C	ZINC000001145645	194047455	/nfs/dbraw/zinc/04/74/55/194047455.db2.gz	BCJBQTSHRGFFBV-UHFFFAOYSA-N	-1	0	476.576	3.922	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000001146850	194048285	/nfs/dbraw/zinc/04/82/85/194048285.db2.gz	GJLYRHUCUQUFEQ-UHFFFAOYSA-N	-1	0	450.513	3.744	50	0		JHAARM
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000001210980	194071317	/nfs/dbraw/zinc/07/13/17/194071317.db2.gz	LALOFAYUIQWXSX-QHCPKHFHSA-N	-1	0	457.486	3.855	50	0	biogenic,in-vitro	JHAARM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)c(F)cc2c1=O	ZINC000001279542	194081405	/nfs/dbraw/zinc/08/14/05/194081405.db2.gz	GRTDJYJCGBMEGP-UHFFFAOYSA-N	-1	0	469.900	3.790	50	0		JHAARM
Cc1[nH]c2ccccc2c1[C@H]1C(=O)NC(c2ccccc2)=NN1C(=O)c1ccccc1C(=O)[O-]	ZINC000001432425	194120107	/nfs/dbraw/zinc/12/01/07/194120107.db2.gz	ATCVZOKNFRNTTG-QFIPXVFZSA-N	-1	0	452.470	3.850	50	0		JHAARM
CCC(=O)N[C@@H](Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(Cl)(Cl)Cl	ZINC000001449314	194123397	/nfs/dbraw/zinc/12/33/97/194123397.db2.gz	MMSMPPMQQXJKMM-GFCCVEGCSA-N	-1	0	457.792	3.578	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000002275183	194158891	/nfs/dbraw/zinc/15/88/91/194158891.db2.gz	AZYFTAYNMPTQPL-UHFFFAOYSA-N	-1	0	477.502	3.831	50	0		JHAARM
COc1cccc(NC(=S)Nc2cc(C(=O)[O-])ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1	ZINC000003021179	194208730	/nfs/dbraw/zinc/20/87/30/194208730.db2.gz	UBLJNADDSLCAAS-AEFFLSMTSA-N	-1	0	490.585	3.988	50	0		JHAARM
COc1cc(Cl)c(C)cc1-n1c(=O)c2ccccc2nc1SCC(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000003448089	194327901	/nfs/dbraw/zinc/32/79/01/194327901.db2.gz	ZMMFCKDOXVCESW-FQEVSTJZSA-N	-1	0	489.981	3.674	50	0		JHAARM
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc(C(=O)[O-])ccc21	ZINC000004536021	194391759	/nfs/dbraw/zinc/39/17/59/194391759.db2.gz	WPUZGNPQMIWOHE-UHFFFAOYSA-N	-1	0	460.394	3.803	50	0	in-vitro	JHAARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000009261010	194643394	/nfs/dbraw/zinc/64/33/94/194643394.db2.gz	ICCGMJGCOUJYKO-MQMKENTISA-N	-1	0	485.514	3.960	50	0		JHAARM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000009323400	194691574	/nfs/dbraw/zinc/69/15/74/194691574.db2.gz	RDUODJRXPGLMTD-OTGIAGGSSA-N	-1	0	471.487	3.570	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3[nH]c2=O)cc1	ZINC000009429685	194772978	/nfs/dbraw/zinc/77/29/78/194772978.db2.gz	ICCJBZMGZVAYKU-UHFFFAOYSA-N	-1	0	478.526	3.944	50	0		JHAARM
COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1	ZINC000009659376	194854627	/nfs/dbraw/zinc/85/46/27/194854627.db2.gz	GLCKTRAXTIUZIZ-UHFFFAOYSA-N	-1	0	484.530	3.544	50	0		JHAARM
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000005706980	519387805	/nfs/dbraw/zinc/38/78/05/519387805.db2.gz	OCRUSZPWPXFIFZ-VXKWHMMOSA-N	-1	0	451.523	3.621	50	0		JHAARM
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3n2)CC1	ZINC000033256382	519860318	/nfs/dbraw/zinc/86/03/18/519860318.db2.gz	QLUDPJLDVFSHSS-UHFFFAOYSA-N	-1	0	488.997	3.919	50	0		JHAARM
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-]	ZINC000016382370	520777093	/nfs/dbraw/zinc/77/70/93/520777093.db2.gz	CFVCGCZJZVDRCC-FQEVSTJZSA-N	-1	0	493.438	3.834	50	0		JHAARM
CCOc1ccc(-n2c3nc(SCC(=O)NCc4ccco4)[n-]c(=O)c3sc2=S)cc1	ZINC000008602411	520836480	/nfs/dbraw/zinc/83/64/80/520836480.db2.gz	NHTKFQSVGUXBFO-UHFFFAOYSA-N	-1	0	474.589	3.905	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(OC)c2)CC1	ZINC000022852472	520957526	/nfs/dbraw/zinc/95/75/26/520957526.db2.gz	KDFNYZZAYNWIFS-GOSISDBHSA-N	-1	0	483.550	3.629	50	0		JHAARM
CCOc1nc(NC(=O)[N-]S(=O)(=O)Oc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)n1	ZINC000012412535	521605114	/nfs/dbraw/zinc/60/51/14/521605114.db2.gz	NIYLOZSOECOEIC-UHFFFAOYSA-N	-1	0	484.321	3.689	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1)CN(C(=O)c1ccc(F)cc1)CC2	ZINC000012246634	521791254	/nfs/dbraw/zinc/79/12/54/521791254.db2.gz	QLZJUCFATOBJQA-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)cc1)CN(C(=O)c1ccccc1)CC2	ZINC000014991957	521792080	/nfs/dbraw/zinc/79/20/80/521792080.db2.gz	MPMIJSPUMCTUBO-UHFFFAOYSA-N	-1	0	474.535	3.673	50	0		JHAARM
COc1cc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC	ZINC000022694576	522436110	/nfs/dbraw/zinc/43/61/10/522436110.db2.gz	UPANOGAHIOZFIM-UHFFFAOYSA-N	-1	0	474.510	3.582	50	0		JHAARM
COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(Br)ccc1Br	ZINC000012525833	522449832	/nfs/dbraw/zinc/44/98/32/522449832.db2.gz	TYMOVYOXEYUCMJ-UHFFFAOYSA-N	-1	0	455.149	3.861	50	0		JHAARM
COC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1	ZINC000022852218	522920232	/nfs/dbraw/zinc/92/02/32/522920232.db2.gz	WROKGVNKCJAADR-QGZVFWFLSA-N	-1	0	456.499	3.870	50	0		JHAARM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O	ZINC000009262842	523529422	/nfs/dbraw/zinc/52/94/22/523529422.db2.gz	TXKDUIWZHDVJMV-XREMMQICSA-N	-1	0	465.119	3.515	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccccc3C)c2)c2c(c1=O)CCCC2	ZINC000046027834	523609782	/nfs/dbraw/zinc/60/97/82/523609782.db2.gz	QBPQWUFONSQPDG-UHFFFAOYSA-N	-1	0	453.564	3.927	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)c2c(c1=O)CCCC2	ZINC000046027762	523609964	/nfs/dbraw/zinc/60/99/64/523609964.db2.gz	FCUNXKBBRFAJJQ-UHFFFAOYSA-N	-1	0	469.563	3.627	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)c2c(c1=O)CCCC2	ZINC000046027816	523610927	/nfs/dbraw/zinc/61/09/27/523610927.db2.gz	ZWJDGZIXNUMKCK-UHFFFAOYSA-N	-1	0	457.527	3.758	50	0		JHAARM
COc1ccccc1-c1nc(CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cs1	ZINC000013236142	524279716	/nfs/dbraw/zinc/27/97/16/524279716.db2.gz	QJJYTORGRDZRGF-IBGZPJMESA-N	-1	0	450.520	3.795	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1	ZINC000008746693	524642888	/nfs/dbraw/zinc/64/28/88/524642888.db2.gz	RMNBGYZZKQRLKN-GXDHUFHOSA-N	-1	0	494.569	3.939	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c(OC)c1	ZINC000033307958	524682561	/nfs/dbraw/zinc/68/25/61/524682561.db2.gz	LOHNOSMKGYLZFB-UHFFFAOYSA-N	-1	0	465.535	3.764	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)ccc2OC)cc1	ZINC000022739985	524688719	/nfs/dbraw/zinc/68/87/19/524688719.db2.gz	UTLYUXYSIAIJEA-UHFFFAOYSA-N	-1	0	483.546	3.912	50	0		JHAARM
Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc2c(cc1Oc1ccccc1)n(C)c(=O)c(=O)n2C	ZINC000033274131	524912982	/nfs/dbraw/zinc/91/29/82/524912982.db2.gz	XQFDDPYPTYUDHQ-UHFFFAOYSA-N	-1	0	485.949	3.792	50	0		JHAARM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000009259062	525047286	/nfs/dbraw/zinc/04/72/86/525047286.db2.gz	AAHSRQGNZHQWLI-HMAPJEAMSA-N	-1	0	485.496	3.804	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1C	ZINC000012415041	525083175	/nfs/dbraw/zinc/08/31/75/525083175.db2.gz	DUTXMWIDTGVYMD-UHFFFAOYSA-N	-1	0	497.520	3.969	50	0		JHAARM
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-]	ZINC000008772055	525588842	/nfs/dbraw/zinc/58/88/42/525588842.db2.gz	RCJVJLUYNLFGOS-LNLFQRSKSA-N	-1	0	478.615	3.566	50	0	biogenic	JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253127	525607306	/nfs/dbraw/zinc/60/73/06/525607306.db2.gz	VEUCTBXMCZWEND-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
Cc1cc(/C=C(\C(=O)[O-])c2ccc(S(=O)(=O)N3CCOCC3)s2)cc(C)c1OC(F)F	ZINC000013365321	526080768	/nfs/dbraw/zinc/08/07/68/526080768.db2.gz	NEPTXAURMYGBAR-PTNGSMBKSA-N	-1	0	473.519	3.612	50	0		JHAARM
O=C([O-])[C@@H]1Sc2c(sc(=O)n2Cc2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@H]12	ZINC000004199602	526293303	/nfs/dbraw/zinc/29/33/03/526293303.db2.gz	YFCDOHBPQXKUCG-BFYDXBDKSA-N	-1	0	459.932	3.838	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2)ccc1N1CCN(c2ccccc2)CC1	ZINC000033253103	526352906	/nfs/dbraw/zinc/35/29/06/526352906.db2.gz	PZYKODHLJPFPCC-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCN(Cc2cccc(F)c2)CC1	ZINC000033253227	526354207	/nfs/dbraw/zinc/35/42/07/526354207.db2.gz	REFWQCMSNQJRHB-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCN(c2ccccc2F)CC1	ZINC000033253125	526354662	/nfs/dbraw/zinc/35/46/62/526354662.db2.gz	QGAOSZVYKCLSQK-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)c1	ZINC000002913310	526392398	/nfs/dbraw/zinc/39/23/98/526392398.db2.gz	RBXUHARUTHSXFU-MRXNPFEDSA-N	-1	0	476.769	3.563	50	0		JHAARM
Cc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4c(C)cc(C)cc4C)c(Cl)cc32)no1	ZINC000065022420	526848932	/nfs/dbraw/zinc/84/89/32/526848932.db2.gz	AKTAAYUSKOYKDY-UHFFFAOYSA-N	-1	0	476.942	3.683	50	0		JHAARM
O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000022699872	527192686	/nfs/dbraw/zinc/19/26/86/527192686.db2.gz	NROFOWUTFVDGFG-UHFFFAOYSA-N	-1	0	460.874	3.702	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(-c2ccc(Cl)cc2)on1	ZINC000011916118	527257274	/nfs/dbraw/zinc/25/72/74/527257274.db2.gz	LLGSDYNRICTCAC-UHFFFAOYSA-N	-1	0	455.883	3.838	50	0		JHAARM
O=c1[nH]c2ccc(Nc3nc4ccccc4nc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1	ZINC000002295345	527442584	/nfs/dbraw/zinc/44/25/84/527442584.db2.gz	LUGQWQBLRXPSJD-UHFFFAOYSA-N	-1	0	466.910	3.997	50	0		JHAARM
CCCNS(=O)(=O)c1cc(NC(=O)C(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C	ZINC000096317708	535179369	/nfs/dbraw/zinc/17/93/69/535179369.db2.gz	CNAYPQSDIOMMBC-UHFFFAOYSA-N	-1	0	480.587	3.720	50	0		JHAARM
Cc1ccc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1	ZINC000000683107	553754607	/nfs/dbraw/zinc/75/46/07/553754607.db2.gz	NQLJBLDDVJTHDQ-GOSISDBHSA-N	-1	0	454.552	3.917	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)no1	ZINC000000935685	553873660	/nfs/dbraw/zinc/87/36/60/553873660.db2.gz	DUBIEZHYNDNTFM-OAHLLOKOSA-N	-1	0	483.502	3.605	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)n1	ZINC000000951231	553881542	/nfs/dbraw/zinc/88/15/42/553881542.db2.gz	SHQMVKFAMRSVSM-UHFFFAOYSA-N	-1	0	454.552	3.837	50	0		JHAARM
CCOC(=O)[C@@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)c1ccco1)C(F)(F)F	ZINC000002050065	554010100	/nfs/dbraw/zinc/01/01/00/554010100.db2.gz	VXMVGEQMRWCYJP-SFHVURJKSA-N	-1	0	457.430	3.952	50	0		JHAARM
Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3	ZINC000002113106	554051529	/nfs/dbraw/zinc/05/15/29/554051529.db2.gz	SJDWZINYOUKNJF-NRFANRHFSA-N	-1	0	481.570	3.862	50	0	biogenic	JHAARM
COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@H](C(=O)[O-])c4ccccc4)ccc32)cc1	ZINC000002114244	554052571	/nfs/dbraw/zinc/05/25/71/554052571.db2.gz	PHZWWOLPNCUKGT-VWLOTQADSA-N	-1	0	459.454	3.790	50	0	biogenic	JHAARM
CCOC(=O)c1ccc(-c2coc3cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)cc(=O)c-3c2[O-])o1	ZINC000002115013	554053116	/nfs/dbraw/zinc/05/31/16/554053116.db2.gz	UUTINYRUOWDTQH-LBPRGKRZSA-N	-1	0	487.461	3.754	50	0		JHAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12	ZINC000002118096	554054167	/nfs/dbraw/zinc/05/41/67/554054167.db2.gz	SPMTUWSBGVYZBS-IBGZPJMESA-N	-1	0	457.910	3.898	50	0	biogenic	JHAARM
CCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c12	ZINC000002125069	554057966	/nfs/dbraw/zinc/05/79/66/554057966.db2.gz	OCLCWAFCRIVZTE-SFHVURJKSA-N	-1	0	455.532	3.545	50	0	biogenic	JHAARM
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1csc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1	ZINC000002153018	554071030	/nfs/dbraw/zinc/07/10/30/554071030.db2.gz	GHOMBNNZMFSOOY-UHFFFAOYSA-N	-1	0	490.559	3.810	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)OCCO3)cc1	ZINC000002272003	554127187	/nfs/dbraw/zinc/12/71/87/554127187.db2.gz	HQFJTRFBFHFHNZ-UHFFFAOYSA-N	-1	0	491.529	3.904	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc(C)cc4)CC3)cc21	ZINC000002330137	554151150	/nfs/dbraw/zinc/15/11/50/554151150.db2.gz	SUOCGQBILNYESF-UHFFFAOYSA-N	-1	0	468.554	3.686	50	0		JHAARM
O=C([O-])[C@@H](CNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002583974	554237867	/nfs/dbraw/zinc/23/78/67/554237867.db2.gz	CDAHZCMBWKGJEC-HSZRJFAPSA-N	-1	0	460.486	3.905	50	0		JHAARM
CCS(=O)(=O)N1CCC[C@@H](c2nnc([N-]c3ccn(Cc4c(F)cccc4Cl)n3)s2)C1	ZINC000002730142	554314635	/nfs/dbraw/zinc/31/46/35/554314635.db2.gz	BNLCFDHCNHUCJK-CYBMUJFWSA-N	-1	0	485.010	3.848	50	0		JHAARM
O=S(=O)([N-]c1ncn(Cc2ccc(F)cc2Cl)n1)c1ccc(Br)s1	ZINC000002776732	554340073	/nfs/dbraw/zinc/34/00/73/554340073.db2.gz	QQSHZXRFNPTIRX-UHFFFAOYSA-N	-1	0	451.730	3.744	50	0		JHAARM
Cc1c(Br)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)nn1C	ZINC000002777956	554340849	/nfs/dbraw/zinc/34/08/49/554340849.db2.gz	FWKBQGDTKDADFS-UHFFFAOYSA-N	-1	0	464.389	3.614	50	0		JHAARM
CCn1cc(Br)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)n1	ZINC000002797466	554351275	/nfs/dbraw/zinc/35/12/75/554351275.db2.gz	FFGDBCSWEJRKAP-UHFFFAOYSA-N	-1	0	479.356	3.727	50	0		JHAARM
COc1ccc(OC)c([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)CCCC(=O)[O-])c1	ZINC000006924631	554562011	/nfs/dbraw/zinc/56/20/11/554562011.db2.gz	LLBRVGCPAZKSJT-IBGZPJMESA-N	-1	0	456.495	3.654	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1	ZINC000008746688	554649724	/nfs/dbraw/zinc/64/97/24/554649724.db2.gz	BTJWGMUDLFROES-UHFFFAOYSA-N	-1	0	471.535	3.904	50	0		JHAARM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1NC(=O)c1ccco1	ZINC000008861571	554758675	/nfs/dbraw/zinc/75/86/75/554758675.db2.gz	FTERRQNAWMEENP-UHFFFAOYSA-N	-1	0	477.502	3.683	50	0		JHAARM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SC/C=C/c3ccccc3)s2)n1	ZINC000008869041	554762854	/nfs/dbraw/zinc/76/28/54/554762854.db2.gz	XWDBLVCGQHCNIZ-RMKNXTFCSA-N	-1	0	482.012	3.833	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)NCCCCCC(=O)[O-])c3c4c(c(=O)oc23)CCCC4)O1	ZINC000008877837	554773348	/nfs/dbraw/zinc/77/33/48/554773348.db2.gz	HFFGGVYPAJZOBD-UHFFFAOYSA-N	-1	0	471.550	3.915	50	0	biogenic	JHAARM
CC(=O)N/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000008914613	554807541	/nfs/dbraw/zinc/80/75/41/554807541.db2.gz	HLXRWBUOXXTWQT-OEAKJJBVSA-N	-1	0	494.525	3.577	50	0		JHAARM
CCCSc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccc(F)cc3)ncc2Cl)s1	ZINC000008917352	554812361	/nfs/dbraw/zinc/81/23/61/554812361.db2.gz	RTIUTJWYOOWIKO-UHFFFAOYSA-N	-1	0	487.991	3.849	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccccc3F)ccc2Cl)cc1	ZINC000009128373	554925018	/nfs/dbraw/zinc/92/50/18/554925018.db2.gz	TZLIVDUMQZIYLI-UHFFFAOYSA-N	-1	0	491.928	3.657	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1	ZINC000009141552	554935057	/nfs/dbraw/zinc/93/50/57/554935057.db2.gz	CLXOTAHVFMXYCY-UHFFFAOYSA-N	-1	0	473.576	3.646	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)c1	ZINC000009153262	554942407	/nfs/dbraw/zinc/94/24/07/554942407.db2.gz	AIYRRJRSUHEYIH-UHFFFAOYSA-N	-1	0	487.559	3.538	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCOCC1	ZINC000009157190	554946699	/nfs/dbraw/zinc/94/66/99/554946699.db2.gz	VBNTUUISYBGAMR-UHFFFAOYSA-N	-1	0	482.562	3.977	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1	ZINC000009203228	554973567	/nfs/dbraw/zinc/97/35/67/554973567.db2.gz	YUTCCVMRYJUPTG-UHFFFAOYSA-N	-1	0	450.925	3.861	50	0		JHAARM
COc1cc(Nc2cnn(C34C[C@H]5CC(C[C@H](C5)C3)[C@@H]4C(=O)[O-])c(=O)c2Cl)cc(OC)c1OC	ZINC000009240412	555016896	/nfs/dbraw/zinc/01/68/96/555016896.db2.gz	HPQPLDZGEOZWRJ-GCLPNGJQSA-N	-1	0	489.956	3.902	50	0		JHAARM
O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1)c1cccs1	ZINC000009313664	555089395	/nfs/dbraw/zinc/08/93/95/555089395.db2.gz	OWLCMGKZGJWBNQ-UHFFFAOYSA-N	-1	0	498.579	3.501	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)c2nccn2C)cc1	ZINC000009467747	555245573	/nfs/dbraw/zinc/24/55/73/555245573.db2.gz	PLPPXQXMZQMEDD-UHFFFAOYSA-N	-1	0	464.341	3.613	50	0		JHAARM
CCCCN(CC)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1O	ZINC000009490571	555266426	/nfs/dbraw/zinc/26/64/26/555266426.db2.gz	LZWPPYPSSVPSOP-UHFFFAOYSA-N	-1	0	459.543	3.755	50	0		JHAARM
O=c1nc(CN(Cc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCCO3)[n-]c2ccsc21	ZINC000009501873	555286344	/nfs/dbraw/zinc/28/63/44/555286344.db2.gz	HJRKFSIPFRUFEN-UHFFFAOYSA-N	-1	0	483.571	3.537	50	0		JHAARM
CCOc1ccc(-n2c3nc(SCC(=O)N[C@H](C)CC)[n-]c(=O)c3sc2=S)cc1	ZINC000013144768	555341702	/nfs/dbraw/zinc/34/17/02/555341702.db2.gz	KLNZWNUTOQQXNR-LLVKDONJSA-N	-1	0	450.611	3.910	50	0		JHAARM
COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1	ZINC000009646445	555359752	/nfs/dbraw/zinc/35/97/52/555359752.db2.gz	GZKNWKLFXWAJSS-UHFFFAOYSA-N	-1	0	455.485	3.654	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CCCCC2)ccc1N1CCOCC1	ZINC000009561733	555360250	/nfs/dbraw/zinc/36/02/50/555360250.db2.gz	AXENPNAYRJXCHW-UHFFFAOYSA-N	-1	0	473.595	3.851	50	0		JHAARM
COc1ccc(-c2nc(CNC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1	ZINC000013235632	555370380	/nfs/dbraw/zinc/37/03/80/555370380.db2.gz	RHISXZUIEWZBTB-HXUWFJFHSA-N	-1	0	450.520	3.795	50	0		JHAARM
CC(C)Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccco1	ZINC000013403045	555396368	/nfs/dbraw/zinc/39/63/68/555396368.db2.gz	FTRNCNVVIAGBEO-GOSISDBHSA-N	-1	0	467.551	3.580	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	ZINC000013416897	555397539	/nfs/dbraw/zinc/39/75/39/555397539.db2.gz	ACUDYCLHOUIHKU-KRWDZBQOSA-N	-1	0	456.911	3.776	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N(c1ccccc1)c1ccccc1	ZINC000009674593	555399918	/nfs/dbraw/zinc/39/99/18/555399918.db2.gz	JEDRYOFIUJGPDT-YADHBBJMSA-N	-1	0	459.893	3.998	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1	ZINC000009715154	555446871	/nfs/dbraw/zinc/44/68/71/555446871.db2.gz	UKXWWSKNDDGRNL-UHFFFAOYSA-N	-1	0	467.396	3.833	50	0		JHAARM
COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000009737891	555469707	/nfs/dbraw/zinc/46/97/07/555469707.db2.gz	LHCUDLRGVKEBRG-UHFFFAOYSA-N	-1	0	454.504	3.910	50	0		JHAARM
O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)Nc1nnc(SCc2ccccc2)s1	ZINC000013544920	555489749	/nfs/dbraw/zinc/48/97/49/555489749.db2.gz	PPCLMRYXJWVGGW-UHFFFAOYSA-N	-1	0	497.627	3.941	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1Br	ZINC000013575770	555514687	/nfs/dbraw/zinc/51/46/87/555514687.db2.gz	NMLDZCPCZJPNOO-ODLFYWEKSA-N	-1	0	496.317	3.961	50	0		JHAARM
CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1	ZINC000013579056	555517985	/nfs/dbraw/zinc/51/79/85/555517985.db2.gz	ZWZQUIXNKPIKLD-NHCUHLMSSA-N	-1	0	464.518	3.958	50	0		JHAARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000019923711	555540255	/nfs/dbraw/zinc/54/02/55/555540255.db2.gz	LXLJYIUZMHGZAJ-VQTJNVASSA-N	-1	0	467.953	3.908	50	0		JHAARM
O=C([O-])c1cc(-n2nnnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl	ZINC000013646062	555550411	/nfs/dbraw/zinc/55/04/11/555550411.db2.gz	DSWKQBBBENKPLV-UHFFFAOYSA-N	-1	0	457.821	3.764	50	0		JHAARM
COc1ccc2nc([N-]S(=O)(=O)c3ccccc3)c(Nc3ccc4c(c3)OCO4)nc2c1	ZINC000009858038	555559393	/nfs/dbraw/zinc/55/93/93/555559393.db2.gz	VXCFFSPLNIYSRX-UHFFFAOYSA-N	-1	0	450.476	3.912	50	0		JHAARM
O=C([O-])CCCCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl	ZINC000013765483	555613092	/nfs/dbraw/zinc/61/30/92/555613092.db2.gz	BNBSHIRIAPWQLF-PDGQHHTCSA-N	-1	0	458.898	3.601	50	0		JHAARM
Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000010076382	555615263	/nfs/dbraw/zinc/61/52/63/555615263.db2.gz	GWRQTBQTRXTMIW-UHFFFAOYSA-N	-1	0	494.360	3.732	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@H](c1cc(OC)c(OC)cc1OC)N(C)C2=O	ZINC000020104766	555637380	/nfs/dbraw/zinc/63/73/80/555637380.db2.gz	KHDARFHXDIOBGP-YADHBBJMSA-N	-1	0	459.495	3.505	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@@H](c1cc(OC)c(OC)cc1OC)N(C)C2=O	ZINC000020104764	555637452	/nfs/dbraw/zinc/63/74/52/555637452.db2.gz	KHDARFHXDIOBGP-FCHUYYIVSA-N	-1	0	459.495	3.505	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)c(C)c1	ZINC000010272753	555667107	/nfs/dbraw/zinc/66/71/07/555667107.db2.gz	BJPGIIHFUHFYGW-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)c1	ZINC000014136615	555704102	/nfs/dbraw/zinc/70/41/02/555704102.db2.gz	PBFSVCABHPCVAO-XMMPIXPASA-N	-1	0	493.520	3.655	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)N4CCN(c5cc(C)ccc5C)CC4)c3=O)c2c1	ZINC000020330405	555775523	/nfs/dbraw/zinc/77/55/23/555775523.db2.gz	XDXLMDNXQPFHIW-UHFFFAOYSA-N	-1	0	491.617	3.905	50	0		JHAARM
Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)c1	ZINC000020355900	555784786	/nfs/dbraw/zinc/78/47/86/555784786.db2.gz	WLXJVVFPGXZPEN-UHFFFAOYSA-N	-1	0	471.604	3.939	50	0		JHAARM
Cc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c(S(=O)(=O)c3ccccc3)[n-]2)cc1	ZINC000011695910	555803046	/nfs/dbraw/zinc/80/30/46/555803046.db2.gz	ONZTVBPBZMSVJC-GOSISDBHSA-N	-1	0	471.604	3.605	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)c1	ZINC000022196725	555884282	/nfs/dbraw/zinc/88/42/82/555884282.db2.gz	SHJDRLPIXGKIFH-UHFFFAOYSA-N	-1	0	481.530	3.802	50	0		JHAARM
CCCn1nc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c2ccccc2c1=O	ZINC000015432853	555908500	/nfs/dbraw/zinc/90/85/00/555908500.db2.gz	PZXKBYAJZOCBRH-UHFFFAOYSA-N	-1	0	492.557	3.868	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1)CN(C(=O)C1(c3ccccc3)CC1)CC2	ZINC000012151561	555924568	/nfs/dbraw/zinc/92/45/68/555924568.db2.gz	PLVRPHPUOMGBTD-UHFFFAOYSA-N	-1	0	496.610	3.952	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3=C(c4ccccc4)SCCO3)cc2)n1	ZINC000012321151	555951485	/nfs/dbraw/zinc/95/14/85/555951485.db2.gz	SAQMIWHAUNYKSN-UHFFFAOYSA-N	-1	0	482.587	3.965	50	0		JHAARM
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000015885031	556060774	/nfs/dbraw/zinc/06/07/74/556060774.db2.gz	QUPOGSINIJVSJZ-JIOFHBDDSA-N	-1	0	483.524	3.760	50	0		JHAARM
C[C@H](NC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-]	ZINC000012661566	556101457	/nfs/dbraw/zinc/10/14/57/556101457.db2.gz	WHJLNJKELQXEJE-BRDRNOFCSA-N	-1	0	459.583	3.800	50	0	biogenic	JHAARM
Cc1nc2ccccc2n1CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000012781340	556111961	/nfs/dbraw/zinc/11/19/61/556111961.db2.gz	VAQOQIFPHMUXDR-UHFFFAOYSA-N	-1	0	470.501	3.854	50	0		JHAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(C(=O)OC)c1C	ZINC000012785119	556112322	/nfs/dbraw/zinc/11/23/22/556112322.db2.gz	SLQFGLFCLQJZOB-UHFFFAOYSA-N	-1	0	482.761	3.846	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccco2)N(C)C)c1	ZINC000012858092	556118652	/nfs/dbraw/zinc/11/86/52/556118652.db2.gz	JFRLLLPJLSNFEU-IBGZPJMESA-N	-1	0	477.970	3.775	50	0		JHAARM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	ZINC000024101179	556121588	/nfs/dbraw/zinc/12/15/88/556121588.db2.gz	RRFHPISZUCVSRJ-UHFFFAOYSA-N	-1	0	454.961	3.590	50	0		JHAARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1Br	ZINC000012927386	556145561	/nfs/dbraw/zinc/14/55/61/556145561.db2.gz	PENBZQPSJQBRMT-UHFFFAOYSA-N	-1	0	453.083	3.850	50	0		JHAARM
CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2c3ccccc3oc2C(=O)c2ccc(F)cc2)n1	ZINC000016751384	556157399	/nfs/dbraw/zinc/15/73/99/556157399.db2.gz	AUDFFANSTRCCKL-UHFFFAOYSA-N	-1	0	473.869	3.902	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(NC2CCCCC2)s1	ZINC000012983402	556176642	/nfs/dbraw/zinc/17/66/42/556176642.db2.gz	IHLQJOXCKODBIB-QGZVFWFLSA-N	-1	0	459.597	3.668	50	0		JHAARM
COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC	ZINC000025179005	556202700	/nfs/dbraw/zinc/20/27/00/556202700.db2.gz	DTYVWQQLHYBCPM-WOJGMQOQSA-N	-1	0	494.331	3.666	50	0		JHAARM
Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017042961	556209680	/nfs/dbraw/zinc/20/96/80/556209680.db2.gz	MNYFNMLPRWKOFL-UHFFFAOYSA-N	-1	0	483.532	3.958	50	0		JHAARM
COc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1	ZINC000017053490	556214112	/nfs/dbraw/zinc/21/41/12/556214112.db2.gz	NCQUTFGNMPGSSG-UHFFFAOYSA-N	-1	0	499.531	3.658	50	0		JHAARM
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135710	556222542	/nfs/dbraw/zinc/22/25/42/556222542.db2.gz	WXFXCLUHZHGJGT-UHFFFAOYSA-N	-1	0	469.505	3.650	50	0		JHAARM
CCn1c(CC(=O)Nc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000018201322	556308923	/nfs/dbraw/zinc/30/89/23/556308923.db2.gz	RDNKQAADLNOESS-UHFFFAOYSA-N	-1	0	467.551	3.525	50	0		JHAARM
CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2ccc(OCC)cc2)c(=O)[n-]1	ZINC000013136886	556367272	/nfs/dbraw/zinc/36/72/72/556367272.db2.gz	CZARHPMRGQWROL-UHFFFAOYSA-N	-1	0	465.578	3.518	50	0		JHAARM
Cc1cc(I)ccc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000019792094	556371016	/nfs/dbraw/zinc/37/10/16/556371016.db2.gz	CMSXVEDJDZCPSR-HNNXBMFYSA-N	-1	0	467.284	3.722	50	0		JHAARM
COc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn32)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000031500799	556398223	/nfs/dbraw/zinc/39/82/23/556398223.db2.gz	HMXZFFCFRUQHII-FQEVSTJZSA-N	-1	0	491.573	3.824	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)ccc1C	ZINC000008686733	562952962	/nfs/dbraw/zinc/95/29/62/562952962.db2.gz	ICWHTWXGKUHZEK-UHFFFAOYSA-N	-1	0	481.574	3.790	50	0	aggregator	JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1C	ZINC000008686700	562953010	/nfs/dbraw/zinc/95/30/10/562953010.db2.gz	XMASEQHSYCZXKR-UHFFFAOYSA-N	-1	0	454.504	3.828	50	0	aggregator	JHAARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)cc1	ZINC000032962009	569602707	/nfs/dbraw/zinc/60/27/07/569602707.db2.gz	GPKPVEYRUTYEAQ-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2cccc(F)c2)CC1	ZINC000032962003	569602719	/nfs/dbraw/zinc/60/27/19/569602719.db2.gz	ZELNCPNDKCOILQ-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C(=O)[O-])CC1	ZINC000032962094	569602859	/nfs/dbraw/zinc/60/28/59/569602859.db2.gz	CTJMGJRCGYOJSX-UHFFFAOYSA-N	-1	0	474.579	3.890	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1	ZINC000032971076	569603692	/nfs/dbraw/zinc/60/36/92/569603692.db2.gz	SCHQDFHBSOOSIX-UHFFFAOYSA-N	-1	0	471.535	3.672	50	0		JHAARM
O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NS(=O)(=O)c1ccccc1	ZINC000033006908	569615051	/nfs/dbraw/zinc/61/50/51/569615051.db2.gz	KMHZEVQPYZJUDI-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
CCOC(=O)N1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4cccc(C)c4)ccc3n2)CC1	ZINC000033010348	569616702	/nfs/dbraw/zinc/61/67/02/569616702.db2.gz	COUAOVVGICMSFG-UHFFFAOYSA-N	-1	0	462.506	3.772	50	0		JHAARM
Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589834	569621185	/nfs/dbraw/zinc/62/11/85/569621185.db2.gz	JYBMWAMMQYMRPF-UHFFFAOYSA-N	-1	0	466.582	3.747	50	0		JHAARM
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2F)[n-]c1=O	ZINC000064774461	569626383	/nfs/dbraw/zinc/62/63/83/569626383.db2.gz	QGHKUDZJLGCDBA-UHFFFAOYSA-N	-1	0	459.478	3.828	50	0		JHAARM
O=C([O-])c1ccc(N2CCCN(c3ccc(Cl)nn3)CC2)c(NC(=O)c2ccccc2F)c1	ZINC000064820462	569636193	/nfs/dbraw/zinc/63/61/93/569636193.db2.gz	DXCVNAUSCBSIFJ-UHFFFAOYSA-N	-1	0	469.904	3.936	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cnc(N(C)Cc3ccccc3)c(C(=O)[O-])c2)cc1Cl	ZINC000064843288	569637985	/nfs/dbraw/zinc/63/79/85/569637985.db2.gz	VFNDJIWAJIBBEI-UHFFFAOYSA-N	-1	0	461.927	3.879	50	0		JHAARM
CCOCCOc1ccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1	ZINC000034763506	569658100	/nfs/dbraw/zinc/65/81/00/569658100.db2.gz	ZPTHZAYTNDNFCO-UHFFFAOYSA-N	-1	0	490.482	3.927	50	0		JHAARM
COc1ccc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1OC	ZINC000034766114	569658397	/nfs/dbraw/zinc/65/83/97/569658397.db2.gz	LJTRQYMJFWQDEJ-UHFFFAOYSA-N	-1	0	462.428	3.529	50	0		JHAARM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c2)o1)N1CCCCC1	ZINC000065098909	569661920	/nfs/dbraw/zinc/66/19/20/569661920.db2.gz	QLSAXBPSGPTMBH-UHFFFAOYSA-N	-1	0	452.945	3.878	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)cc1Cl	ZINC000065115111	569665429	/nfs/dbraw/zinc/66/54/29/569665429.db2.gz	LUULSZUNQUQPBL-UHFFFAOYSA-N	-1	0	465.915	3.535	50	0		JHAARM
O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)c1)N1CCCC1	ZINC000034864989	569668039	/nfs/dbraw/zinc/66/80/39/569668039.db2.gz	REXJFRLJJNYUPM-UHFFFAOYSA-N	-1	0	461.971	3.613	50	0		JHAARM
O=C([O-])[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)c1ccccc1	ZINC000035287464	569679553	/nfs/dbraw/zinc/67/95/53/569679553.db2.gz	PZRJUJTZSFMKML-DEOSSOPVSA-N	-1	0	456.498	3.847	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cccc(OC)c1	ZINC000035377876	569685378	/nfs/dbraw/zinc/68/53/78/569685378.db2.gz	LEZLJEPDDIBGMN-SFHVURJKSA-N	-1	0	453.524	3.721	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000035397885	569688569	/nfs/dbraw/zinc/68/85/69/569688569.db2.gz	ACSGDIFONJEGRI-UHFFFAOYSA-N	-1	0	471.583	3.749	50	0		JHAARM
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccn(Cc4cccc5cccnc54)n3)cc2C[C@@H]1C	ZINC000069949681	569694139	/nfs/dbraw/zinc/69/41/39/569694139.db2.gz	ZBGXLUGWQVIIRD-INIZCTEOSA-N	-1	0	461.547	3.578	50	0		JHAARM
CN1CCN(C(=O)C[C@H](c2cccnc2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096114315	569733526	/nfs/dbraw/zinc/73/35/26/569733526.db2.gz	LGRICXHCVVXLFY-HXUWFJFHSA-N	-1	0	485.540	3.562	50	0	biogenic	JHAARM
O=C([O-])c1cc(S(=O)(=O)NCCCn2nc3c(c2C(F)(F)F)CCC3)c(Cl)cc1Cl	ZINC000036615089	569778290	/nfs/dbraw/zinc/77/82/90/569778290.db2.gz	PGSHKEYCYFJKPQ-UHFFFAOYSA-N	-1	0	486.299	3.764	50	0		JHAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=S)n(-c3ccc(Cl)cc3)c1=O)N(C(C)=O)CC2	ZINC000100750024	569768865	/nfs/dbraw/zinc/76/88/65/569768865.db2.gz	YNRLFYJBBOOPLV-FQEVSTJZSA-N	-1	0	487.965	3.765	50	0	biogenic	JHAARM
COc1ccc(-c2nc3c(s2)CN([C@H](C(=O)[O-])c2c[nH]c4cc(CO)ccc42)CC3)cc1OC	ZINC000036359980	569772519	/nfs/dbraw/zinc/77/25/19/569772519.db2.gz	GXPKVJBLFRFOAJ-QHCPKHFHSA-N	-1	0	479.558	3.985	50	0		JHAARM
CC[C@H](C)[C@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000036569751	569776639	/nfs/dbraw/zinc/77/66/39/569776639.db2.gz	FSYSBSSTDIDPFK-SJCJKPOMSA-N	-1	0	468.000	3.887	50	0		JHAARM
CC[C@@H](C)[C@@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000036569749	569776672	/nfs/dbraw/zinc/77/66/72/569776672.db2.gz	FSYSBSSTDIDPFK-SJKOYZFVSA-N	-1	0	468.000	3.887	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1C	ZINC000101086216	569781885	/nfs/dbraw/zinc/78/18/85/569781885.db2.gz	FSZGESCCVBWUMR-ROUUACIJSA-N	-1	0	481.310	3.609	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2Br)cc1	ZINC000101836754	569806059	/nfs/dbraw/zinc/80/60/59/569806059.db2.gz	ORDFEJVDTWOAQE-GOSISDBHSA-N	-1	0	469.295	3.890	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101893031	569807473	/nfs/dbraw/zinc/80/74/73/569807473.db2.gz	AQWHOBYEKLRTCA-OALUTQOASA-N	-1	0	466.885	3.671	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	ZINC000102289883	569812054	/nfs/dbraw/zinc/81/20/54/569812054.db2.gz	SXWWBAGNIXCBBF-BGYRXZFFSA-N	-1	0	472.563	3.570	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC	ZINC000102290273	569812208	/nfs/dbraw/zinc/81/22/08/569812208.db2.gz	OVVXXFTVIPJXII-IAGOWNOFSA-N	-1	0	492.981	3.833	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(N4CCOC4=O)cc3)ccc2OC)cc1	ZINC000040093886	569816135	/nfs/dbraw/zinc/81/61/35/569816135.db2.gz	YLONISJRYVICMB-UHFFFAOYSA-N	-1	0	497.529	3.714	50	0		JHAARM
CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(OC)c(OC)c3)cnn21	ZINC000102810600	569824071	/nfs/dbraw/zinc/82/40/71/569824071.db2.gz	PKGCECJRHYVCGS-SFHVURJKSA-N	-1	0	464.478	3.535	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(Br)cc2)cc1	ZINC000102820832	569824156	/nfs/dbraw/zinc/82/41/56/569824156.db2.gz	DJAGFGLUBGIFFH-SFHVURJKSA-N	-1	0	469.295	3.890	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CC	ZINC000040450326	569828327	/nfs/dbraw/zinc/82/83/27/569828327.db2.gz	LYCHQOYHMYDAGU-UHFFFAOYSA-N	-1	0	453.358	3.948	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(OC)c1	ZINC000040450416	569828373	/nfs/dbraw/zinc/82/83/73/569828373.db2.gz	OEWFCAZEISDABU-UHFFFAOYSA-N	-1	0	481.368	3.566	50	0		JHAARM
Cc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1	ZINC000046016268	569842295	/nfs/dbraw/zinc/84/22/95/569842295.db2.gz	MTBPJMVUSMKGEM-UHFFFAOYSA-N	-1	0	483.493	3.661	50	0		JHAARM
COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)c(OC)c1	ZINC000049543372	569848458	/nfs/dbraw/zinc/84/84/58/569848458.db2.gz	GDAODPFHFSAVHW-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C)c(S(=O)(=O)N[C@H](C)CC)c1	ZINC000106888901	569855873	/nfs/dbraw/zinc/85/58/73/569855873.db2.gz	GCWGNCNFCWZYNG-CYBMUJFWSA-N	-1	0	480.587	3.671	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000136216313	569864607	/nfs/dbraw/zinc/86/46/07/569864607.db2.gz	SZXFTLFDOZCYIQ-WMTXJRDZSA-N	-1	0	488.496	3.762	50	0		JHAARM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2O)[C@H]2OC(=O)c3ccccc32)cc1	ZINC000198724941	569873969	/nfs/dbraw/zinc/87/39/69/569873969.db2.gz	YPGYRVIUEKSZTQ-URXFXBBRSA-N	-1	0	459.454	3.709	50	0		JHAARM
COC(=O)C[C@@H](c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(C(=O)[O-])cc1	ZINC000217894405	569882043	/nfs/dbraw/zinc/88/20/43/569882043.db2.gz	ROGWKGUPQWYBGT-LJQANCHMSA-N	-1	0	464.518	3.791	50	0	biogenic	JHAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245257871	570060708	/nfs/dbraw/zinc/06/07/08/570060708.db2.gz	FVOVJCMDSUYMEV-UZSJBGNBSA-N	-1	0	498.626	3.555	50	0		JHAARM
C[C@@H]1CCC[C@H](NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)[C@H]1C	ZINC000245276380	570061142	/nfs/dbraw/zinc/06/11/42/570061142.db2.gz	VIRHPVOBUQAHCO-TXDAXLQXSA-N	-1	0	458.609	3.652	50	0		JHAARM
O=C([O-])c1ccc(-c2ccc(C=c3sc4nc5cc(Br)cnc5n4c3=O)o2)cc1	ZINC000252621829	570087464	/nfs/dbraw/zinc/08/74/64/570087464.db2.gz	NHPZPFHZMRBPOF-UHFFFAOYSA-N	-1	0	468.288	3.573	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1	ZINC000001118877	194031996	/nfs/dbraw/zinc/03/19/96/194031996.db2.gz	CZAYXYJSZOGOKM-UHFFFAOYSA-N	-1	0	467.396	3.833	50	0		JHAARM
O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1)c1ccccc1	ZINC000001127302	194037038	/nfs/dbraw/zinc/03/70/38/194037038.db2.gz	GONNPLBQXPQDKN-UHFFFAOYSA-N	-1	0	473.514	3.782	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1Br	ZINC000001130633	194038867	/nfs/dbraw/zinc/03/88/67/194038867.db2.gz	ORXWOEFOJCLLBP-UHFFFAOYSA-N	-1	0	465.325	3.782	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	ZINC000001151368	194050735	/nfs/dbraw/zinc/05/07/35/194050735.db2.gz	KIMPDKVUXNPOBG-UHFFFAOYSA-N	-1	0	489.575	3.564	50	0		JHAARM
COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1	ZINC000001778313	194138637	/nfs/dbraw/zinc/13/86/37/194138637.db2.gz	KLIDJBSXCFCJCG-UHFFFAOYSA-N	-1	0	470.551	3.701	50	0		JHAARM
CCc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000001786945	194140049	/nfs/dbraw/zinc/14/00/49/194140049.db2.gz	BMRBVRCSVFQNPL-VXKWHMMOSA-N	-1	0	461.470	3.723	50	0		JHAARM
Cc1sc2nc(SCC(=O)N3CCC(C(=O)[O-])CC3)n(Cc3ccccc3)c(=O)c2c1C	ZINC000003291058	194267190	/nfs/dbraw/zinc/26/71/90/194267190.db2.gz	YISICONFQFETGO-UHFFFAOYSA-N	-1	0	471.604	3.538	50	0		JHAARM
Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1SCC(=O)N1CCC(C(=O)[O-])CC1	ZINC000003320280	194280739	/nfs/dbraw/zinc/28/07/39/194280739.db2.gz	MUVUNLBXKGMUMK-UHFFFAOYSA-N	-1	0	471.966	3.763	50	0		JHAARM
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCCc2ccccc21	ZINC000003346611	194293333	/nfs/dbraw/zinc/29/33/33/194293333.db2.gz	OGCANLXUCPOTCD-UHFFFAOYSA-N	-1	0	456.545	3.685	50	0		JHAARM
O=C(c1ccco1)N1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000003366137	194303570	/nfs/dbraw/zinc/30/35/70/194303570.db2.gz	SXAPIJQLYONIMF-UHFFFAOYSA-N	-1	0	497.964	3.639	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1	ZINC000003446314	194327067	/nfs/dbraw/zinc/32/70/67/194327067.db2.gz	JUCCSBIDSLRDCI-UHFFFAOYSA-N	-1	0	482.558	3.712	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)Nc1c(F)cccc1F	ZINC000003503208	194333834	/nfs/dbraw/zinc/33/38/34/194333834.db2.gz	SGIZQQMLVQEPOC-UHFFFAOYSA-N	-1	0	452.460	3.623	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(F)cc1)C(C)C	ZINC000009934524	195027228	/nfs/dbraw/zinc/02/72/28/195027228.db2.gz	MHUITTSEGQPRHK-HXUWFJFHSA-N	-1	0	499.568	3.993	50	0		JHAARM
CCOC(=O)c1c(NC(=O)CSc2nc(=O)c(C)n[n-]2)sc(C)c1-c1ccc(C)cc1	ZINC000012733322	195099658	/nfs/dbraw/zinc/09/96/58/195099658.db2.gz	BVJCQSJIFGMOTA-UHFFFAOYSA-N	-1	0	458.565	3.726	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc3c(c2)OCCO3)c1	ZINC000012785606	195127393	/nfs/dbraw/zinc/12/73/93/195127393.db2.gz	UHKWDQWLOCPFGQ-UHFFFAOYSA-N	-1	0	468.531	3.539	50	0		JHAARM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(Br)cc2F)c1OC	ZINC000012865782	195161318	/nfs/dbraw/zinc/16/13/18/195161318.db2.gz	AJAVJDAAQBGIFZ-ZZXKWVIFSA-N	-1	0	460.277	3.504	50	0		JHAARM
Cc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)c1	ZINC000021089228	195274050	/nfs/dbraw/zinc/27/40/50/195274050.db2.gz	NVYZZCDMQUDAOO-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3F)[n-]c2=O)cc1Cl	ZINC000021089289	195274217	/nfs/dbraw/zinc/27/42/17/195274217.db2.gz	AXAWJLZAZRJPGC-UHFFFAOYSA-N	-1	0	485.921	3.574	50	0		JHAARM
CC(C)Cc1nnc(NC(=O)CSc2nc(-c3cccc(Cl)c3)nc3cc(=O)[n-]n32)s1	ZINC000021911159	195329600	/nfs/dbraw/zinc/32/96/00/195329600.db2.gz	QUJMIQZQVIEJRO-UHFFFAOYSA-N	-1	0	475.987	3.519	50	0		JHAARM
COc1ccccc1NC(=O)c1cncc([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000021931812	195335182	/nfs/dbraw/zinc/33/51/82/195335182.db2.gz	NSRNOTOPGPYYCK-UHFFFAOYSA-N	-1	0	462.325	3.906	50	0		JHAARM
CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000095851204	129925538	/nfs/dbraw/zinc/92/55/38/129925538.db2.gz	CQBJWMSRHPYVFE-UHFFFAOYSA-N	-1	0	462.915	3.601	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000045900351	521228179	/nfs/dbraw/zinc/22/81/79/521228179.db2.gz	XZHSTCOXKCGOLU-LJQANCHMSA-N	-1	0	479.562	3.892	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])C1	ZINC000033253393	521303531	/nfs/dbraw/zinc/30/35/31/521303531.db2.gz	YYAIRIXJTMUXAV-KRWDZBQOSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1	ZINC000033307570	521554264	/nfs/dbraw/zinc/55/42/64/521554264.db2.gz	OJQKOUMDSKBSNB-UHFFFAOYSA-N	-1	0	474.608	3.742	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc3c(c1)CCC3)CN(C(=O)CC1CC1)CC2	ZINC000012332128	521791416	/nfs/dbraw/zinc/79/14/16/521791416.db2.gz	IABATRNPBDKEBL-UHFFFAOYSA-N	-1	0	474.604	3.509	50	0		JHAARM
COCc1ccc(C(=O)NCc2cc([N-]S(=O)(=O)c3ccccc3Cl)cc(C(=O)OC)c2)o1	ZINC000012246690	522957499	/nfs/dbraw/zinc/95/74/99/522957499.db2.gz	JUCSATKPHWTZQY-UHFFFAOYSA-N	-1	0	492.937	3.597	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000033123176	523075189	/nfs/dbraw/zinc/07/51/89/523075189.db2.gz	UWDJPIDAVPTRGH-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
COc1ccc(-c2nc3c(s2)CN([C@@H](C(=O)[O-])c2c[nH]c4cc(CO)ccc42)CC3)cc1OC	ZINC000036359981	523226606	/nfs/dbraw/zinc/22/66/06/523226606.db2.gz	GXPKVJBLFRFOAJ-HSZRJFAPSA-N	-1	0	479.558	3.985	50	0		JHAARM
CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S	ZINC000018100857	523562834	/nfs/dbraw/zinc/56/28/34/523562834.db2.gz	MGJMUNWGWDKRKT-UHFFFAOYSA-N	-1	0	463.563	3.515	50	0		JHAARM
CCn1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c2c(c1=O)CCCC2	ZINC000046027530	523606555	/nfs/dbraw/zinc/60/65/55/523606555.db2.gz	OTLCMHXZUFANJR-UHFFFAOYSA-N	-1	0	453.564	3.927	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)c(OC)c3)c2)c2c(c1=O)CCCC2	ZINC000046027865	523609529	/nfs/dbraw/zinc/60/95/29/523609529.db2.gz	DHQYWRVSLMHSCR-UHFFFAOYSA-N	-1	0	499.589	3.636	50	0		JHAARM
COc1ccc(C)cc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(=O)(=O)c1ccccc1	ZINC000006122088	523817358	/nfs/dbraw/zinc/81/73/58/523817358.db2.gz	OTRYJAMKMSKMTD-UHFFFAOYSA-N	-1	0	454.504	3.536	50	0		JHAARM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O	ZINC000009262838	523879440	/nfs/dbraw/zinc/87/94/40/523879440.db2.gz	TXKDUIWZHDVJMV-UEEORIODSA-N	-1	0	465.119	3.515	50	0		JHAARM
Cc1cc(C)cc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253043	524457409	/nfs/dbraw/zinc/45/74/09/524457409.db2.gz	KGQWKYULRPXGBZ-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
COc1ccc(NC(=O)c2cc(Br)c[nH]2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000024400564	524624997	/nfs/dbraw/zinc/62/49/97/524624997.db2.gz	BSVNZDSFQANEQK-UHFFFAOYSA-N	-1	0	468.304	3.978	50	0		JHAARM
COc1ccc(NC(=O)c2ccoc2)cc1S(=O)(=O)[N-]c1ccc(I)cc1	ZINC000016226089	524648951	/nfs/dbraw/zinc/64/89/51/524648951.db2.gz	UUVREPJRRWHAKG-UHFFFAOYSA-N	-1	0	498.298	3.946	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c1	ZINC000041154771	524878461	/nfs/dbraw/zinc/87/84/61/524878461.db2.gz	RBVLBYUYBMLBOZ-UHFFFAOYSA-N	-1	0	467.952	3.991	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)c(F)c2)n(C)c(=O)n3C)cc1	ZINC000046009556	524992165	/nfs/dbraw/zinc/99/21/65/524992165.db2.gz	ACNUJFSKSDCAJX-UHFFFAOYSA-N	-1	0	471.510	3.926	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3C(=O)[O-])CC2)cc1	ZINC000033078699	525053919	/nfs/dbraw/zinc/05/39/19/525053919.db2.gz	SJNCQHQVBNMSEK-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(C(C)C)s2)n1	ZINC000008613888	525182339	/nfs/dbraw/zinc/18/23/39/525182339.db2.gz	NOTCGGDZLGDKQY-UHFFFAOYSA-N	-1	0	451.961	3.640	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1C	ZINC000002096737	525496237	/nfs/dbraw/zinc/49/62/37/525496237.db2.gz	DRPDQJXWWGSWPA-FQEVSTJZSA-N	-1	0	469.559	3.854	50	0	biogenic	JHAARM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000016310620	525614867	/nfs/dbraw/zinc/61/48/67/525614867.db2.gz	KTFHUTQESKYTKY-UHFFFAOYSA-N	-1	0	453.539	3.897	50	0		JHAARM
C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002132317	525940643	/nfs/dbraw/zinc/94/06/43/525940643.db2.gz	YOXYNZQFGQFACE-QMHKHESXSA-N	-1	0	473.481	3.745	50	0	biogenic	JHAARM
Cc1ccc(C(=O)c2cc3c(cc2NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)OCCO3)cc1	ZINC000013945498	526241519	/nfs/dbraw/zinc/24/15/19/526241519.db2.gz	VKCQMODAGSMJJM-UHFFFAOYSA-N	-1	0	466.515	3.816	50	0		JHAARM
O=C([O-])[C@@H]1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CN1C(=O)c1ccccc1	ZINC000014632624	526290348	/nfs/dbraw/zinc/29/03/48/526290348.db2.gz	YTWZZGPYBGALGM-UUOWRZLLSA-N	-1	0	456.498	3.893	50	0		JHAARM
Cc1nn(Cc2ccccc2)c2sc(C(=O)[N-]N3C(=O)N[C@](C)(c4ccccc4)C3=O)cc12	ZINC000014818995	526296303	/nfs/dbraw/zinc/29/63/03/526296303.db2.gz	ATWDQUMUFSNSKH-XMMPIXPASA-N	-1	0	459.531	3.567	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccc3C)cn2CC(=O)N2CCCC2)n1	ZINC000033307547	526300890	/nfs/dbraw/zinc/30/08/90/526300890.db2.gz	COEFFZPSIUMHJU-UHFFFAOYSA-N	-1	0	458.609	3.960	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1NC(=O)c1ccccc1Cl	ZINC000045967611	526348986	/nfs/dbraw/zinc/34/89/86/526348986.db2.gz	XKEJXHZUQGHEAJ-UHFFFAOYSA-N	-1	0	499.011	3.815	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1NC(=O)c1ccc(Cl)cc1	ZINC000045967638	526349220	/nfs/dbraw/zinc/34/92/20/526349220.db2.gz	WUPBBIYNLJVJPH-UHFFFAOYSA-N	-1	0	499.011	3.815	50	0		JHAARM
O=S(=O)([N-]c1ccccc1S(=O)(=O)N1CCCC1)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000012526029	527256104	/nfs/dbraw/zinc/25/61/04/527256104.db2.gz	RXJWHHSZTZNQNQ-UHFFFAOYSA-N	-1	0	468.906	3.944	50	0		JHAARM
O=C([N-]C(=O)c1ccc(F)cc1)OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000012429017	527458694	/nfs/dbraw/zinc/45/86/94/527458694.db2.gz	VWBMDHBQIIIUOO-UHFFFAOYSA-N	-1	0	474.842	3.582	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3c(Cl)cccc3Cl)C2=O)cc1	ZINC000013578905	527544153	/nfs/dbraw/zinc/54/41/53/527544153.db2.gz	ZFRBRESPAWQVIP-HVHJFMEUSA-N	-1	0	465.314	3.997	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1C	ZINC000033254075	527620913	/nfs/dbraw/zinc/62/09/13/527620913.db2.gz	RCSLSSMSBWRHJL-UHFFFAOYSA-N	-1	0	470.595	3.913	50	0		JHAARM
CCC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3n2)CC1	ZINC000096493317	534930731	/nfs/dbraw/zinc/93/07/31/534930731.db2.gz	IHNQVQDDPUBUQF-UHFFFAOYSA-N	-1	0	490.532	3.544	50	0		JHAARM
COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000000657868	553737157	/nfs/dbraw/zinc/73/71/57/553737157.db2.gz	MAAYKLHGUSVANJ-UDWIEESQSA-N	-1	0	460.442	3.532	50	0		JHAARM
NC(=O)c1c([N-]C(NC(=O)c2ccncc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2	ZINC000000721282	553772810	/nfs/dbraw/zinc/77/28/10/553772810.db2.gz	UVANQPFSQRYIJV-UHFFFAOYSA-N	-1	0	466.407	3.784	50	0		JHAARM
O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H](c2ccccn2)N1	ZINC000001046278	553901366	/nfs/dbraw/zinc/90/13/66/553901366.db2.gz	JLNZNZMKGBPMOQ-SVFBPWRDSA-N	-1	0	469.884	3.518	50	0		JHAARM
CCOc1ccc2nc([N-][C@](NC(=O)c3ccccc3)(C(=O)OC)C(F)(F)F)sc2c1	ZINC000002050330	554010785	/nfs/dbraw/zinc/01/07/85/554010785.db2.gz	ADHSSCUQKRZRIH-LJQANCHMSA-N	-1	0	453.442	3.969	50	0		JHAARM
Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1	ZINC000002118596	554054465	/nfs/dbraw/zinc/05/44/65/554054465.db2.gz	BMQYKHVXVKUCCQ-FQEVSTJZSA-N	-1	0	481.570	3.862	50	0	biogenic	JHAARM
Cc1cc(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2c3c(c(=O)oc2c1)CCC3	ZINC000002118846	554054566	/nfs/dbraw/zinc/05/45/66/554054566.db2.gz	DDVBTUDDYVURFL-VFNWGFHPSA-N	-1	0	474.513	3.651	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002134761	554061768	/nfs/dbraw/zinc/06/17/68/554061768.db2.gz	QKQANAPOAKDCJR-IQMFZBJNSA-N	-1	0	492.528	3.902	50	0	biogenic	JHAARM
O=C([O-])CCCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1	ZINC000002272210	554127623	/nfs/dbraw/zinc/12/76/23/554127623.db2.gz	IIOJFEBELKEGPU-CYVLTUHYSA-N	-1	0	459.340	3.981	50	0		JHAARM
O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000002481740	554226043	/nfs/dbraw/zinc/22/60/43/554226043.db2.gz	YFFWLMZDHXOSMS-UHFFFAOYSA-N	-1	0	475.939	3.803	50	0		JHAARM
CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1	ZINC000002856133	554382905	/nfs/dbraw/zinc/38/29/05/554382905.db2.gz	GHWXUONGVUWURD-UHFFFAOYSA-N	-1	0	467.551	3.967	50	0	aggregator	JHAARM
O=C(NCc1ccc2c(c1)OCO2)C1CCC(Cn2c(=O)c3sccc3[n-]c2=S)CC1	ZINC000002925588	554410995	/nfs/dbraw/zinc/41/09/95/554410995.db2.gz	HBXYWVSWVXAADR-UHFFFAOYSA-N	-1	0	457.577	3.972	50	0		JHAARM
COc1ccc(CCNC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1OC	ZINC000002974406	554414967	/nfs/dbraw/zinc/41/49/67/554414967.db2.gz	CRHSEHPSLPHNIQ-UHFFFAOYSA-N	-1	0	499.589	3.724	50	0		JHAARM
O=C(NCc1ccc(F)cc1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O	ZINC000003051912	554424527	/nfs/dbraw/zinc/42/45/27/554424527.db2.gz	VATCQRUFWZBGSG-UHFFFAOYSA-N	-1	0	463.490	3.531	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	ZINC000005706809	554492927	/nfs/dbraw/zinc/49/29/27/554492927.db2.gz	XPJAHPOAFDDPPF-DQEYMECFSA-N	-1	0	485.540	3.818	50	0		JHAARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000006144326	554510081	/nfs/dbraw/zinc/51/00/81/554510081.db2.gz	QGWDENOUHNBTEU-CQSZACIVSA-N	-1	0	488.543	3.504	50	0		JHAARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccc2c(c1)OCCO2	ZINC000006144325	554510107	/nfs/dbraw/zinc/51/01/07/554510107.db2.gz	QGWDENOUHNBTEU-AWEZNQCLSA-N	-1	0	488.543	3.504	50	0		JHAARM
O=C(Nc1ccccc1N1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006147023	554510645	/nfs/dbraw/zinc/51/06/45/554510645.db2.gz	DQEIDWJLMGQUBB-UHFFFAOYSA-N	-1	0	455.511	3.715	50	0		JHAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5CCC[C@@H]5C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000008762185	554661868	/nfs/dbraw/zinc/66/18/68/554661868.db2.gz	TZFHCLYNRGASPW-YPMBBQPSSA-N	-1	0	482.621	3.762	50	0	biogenic	JHAARM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000008815753	554697212	/nfs/dbraw/zinc/69/72/12/554697212.db2.gz	UNJZBNPKRDWKJD-HYARGMPZSA-N	-1	0	485.496	3.804	50	0		JHAARM
CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)cc(=O)c2c1	ZINC000008845876	554743970	/nfs/dbraw/zinc/74/39/70/554743970.db2.gz	WZVARXRJYYQOHC-UHFFFAOYSA-N	-1	0	464.503	3.507	50	0		JHAARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC	ZINC000008868757	554762402	/nfs/dbraw/zinc/76/24/02/554762402.db2.gz	AWDUKUWRHUOKBF-OAHLLOKOSA-N	-1	0	476.279	3.519	50	0		JHAARM
Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](CC(=O)[O-])c1ccc(OCC(C)C)cc1	ZINC000008878184	554773756	/nfs/dbraw/zinc/77/37/56/554773756.db2.gz	LQUXBZKJHUBSTD-NRFANRHFSA-N	-1	0	453.491	3.717	50	0	biogenic	JHAARM
CCOC(=O)[C@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)c1cccnc1)C(F)(F)F	ZINC000008974077	554845518	/nfs/dbraw/zinc/84/55/18/554845518.db2.gz	ZIMJCDGRRIUHNK-LJQANCHMSA-N	-1	0	468.457	3.754	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000008996072	554856518	/nfs/dbraw/zinc/85/65/18/554856518.db2.gz	WOTLZHIBNVZFQZ-RSDPBLMXSA-N	-1	0	491.548	3.512	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000009033151	554867363	/nfs/dbraw/zinc/86/73/63/554867363.db2.gz	HGIFSZXSOSGFMZ-QRQCRPRQSA-N	-1	0	462.502	3.806	50	0	biogenic	JHAARM
CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3OC)c2)C1	ZINC000009096895	554895567	/nfs/dbraw/zinc/89/55/67/554895567.db2.gz	NTWWYWUZSRVJSN-INIZCTEOSA-N	-1	0	480.970	3.565	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(c2ccccc2)CC1)c1ccc(F)cc1	ZINC000009109771	554898047	/nfs/dbraw/zinc/89/80/47/554898047.db2.gz	NRRPPSBCSIDHNN-UHFFFAOYSA-N	-1	0	463.538	3.896	50	0		JHAARM
CCc1ccc(S(=O)(=O)Nc2ccc(OC)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)cc1	ZINC000009126909	554921465	/nfs/dbraw/zinc/92/14/65/554921465.db2.gz	BTKFDBUJZMADJM-UHFFFAOYSA-N	-1	0	464.540	3.998	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCCC2)cc1C(=O)N1CCCC1	ZINC000009356536	555121739	/nfs/dbraw/zinc/12/17/39/555121739.db2.gz	DYDCDFKCQIAPAB-UHFFFAOYSA-N	-1	0	485.606	3.748	50	0		JHAARM
CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccccc2)c3[O-])cc1	ZINC000009429671	555196871	/nfs/dbraw/zinc/19/68/71/555196871.db2.gz	INHYJCFENSCDAH-UHFFFAOYSA-N	-1	0	464.499	3.718	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)NCc3ccco3)nc2c1	ZINC000009440548	555210863	/nfs/dbraw/zinc/21/08/63/555210863.db2.gz	XYYXCLUXWDGZNX-UHFFFAOYSA-N	-1	0	473.532	3.639	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2c(F)cc(F)c(Cl)c2F)c1	ZINC000009493748	555276395	/nfs/dbraw/zinc/27/63/95/555276395.db2.gz	LGJVAAVZQZTFGY-UHFFFAOYSA-N	-1	0	486.921	3.597	50	0		JHAARM
CC(=O)Nc1nc(SCC(=O)Nc2cccc3ccccc32)[n-]c(=O)c1NC(=O)c1cccs1	ZINC000009518273	555312955	/nfs/dbraw/zinc/31/29/55/555312955.db2.gz	CLIUPYMJTXPVTE-UHFFFAOYSA-N	-1	0	493.570	3.926	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)cc2)nc(C)n1	ZINC000009549657	555347958	/nfs/dbraw/zinc/34/79/58/555347958.db2.gz	SJCAOSCCCJKJMN-UHFFFAOYSA-N	-1	0	474.926	3.571	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-]	ZINC000013249510	555370300	/nfs/dbraw/zinc/37/03/00/555370300.db2.gz	FVQZWEDGULQVGS-HUUCEWRRSA-N	-1	0	464.927	3.755	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccco4)CCC3)cc2)c1	ZINC000013351030	555380578	/nfs/dbraw/zinc/38/05/78/555380578.db2.gz	QPTBMVNVKHOWBI-UHFFFAOYSA-N	-1	0	470.547	3.836	50	0		JHAARM
CC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1	ZINC000009670137	555386383	/nfs/dbraw/zinc/38/63/83/555386383.db2.gz	HNDZBHPDYCPNSB-OAHLLOKOSA-N	-1	0	451.976	3.506	50	0		JHAARM
Cc1ccc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[n-]2)c1	ZINC000013362761	555387961	/nfs/dbraw/zinc/38/79/61/555387961.db2.gz	NVDKQMWUQGLVJC-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(CO)cc3)ccc2OC)cc1	ZINC000009586278	555396521	/nfs/dbraw/zinc/39/65/21/555396521.db2.gz	ZLTYYSPDRZSKIS-UHFFFAOYSA-N	-1	0	456.520	3.639	50	0		JHAARM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)Cc4ccccc4Cl)CC3)c(F)cc2c1=O	ZINC000009723042	555454453	/nfs/dbraw/zinc/45/44/53/555454453.db2.gz	LWJPCWFKVAYZSS-UHFFFAOYSA-N	-1	0	483.927	3.718	50	0		JHAARM
O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1)c1cccs1	ZINC000009782695	555503494	/nfs/dbraw/zinc/50/34/94/555503494.db2.gz	QEUJLPFZWVBRGS-UHFFFAOYSA-N	-1	0	479.543	3.844	50	0		JHAARM
O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCN(c2ccccn2)CC1	ZINC000013688614	555582052	/nfs/dbraw/zinc/58/20/52/555582052.db2.gz	AJQGMFDIHVSBLM-UHFFFAOYSA-N	-1	0	497.577	3.594	50	0		JHAARM
COC(=O)C1CCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccc(Cl)cc4)sc3c2)CC1	ZINC000013719439	555595379	/nfs/dbraw/zinc/59/53/79/555595379.db2.gz	SSMDKZROLPJOKY-UHFFFAOYSA-N	-1	0	493.994	3.776	50	0		JHAARM
Cc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)c=2c1=O	ZINC000013959443	555662006	/nfs/dbraw/zinc/66/20/06/555662006.db2.gz	LLRQKHLSKMWKDV-ARMFNRFLSA-N	-1	0	492.539	3.666	50	0		JHAARM
CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)cc1	ZINC000010272765	555667008	/nfs/dbraw/zinc/66/70/08/555667008.db2.gz	QWLHOVJCROIDPL-UHFFFAOYSA-N	-1	0	463.968	3.549	50	0		JHAARM
Cc1ccc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(Cl)c3)c(=O)[n-]2)c1	ZINC000010272755	555667031	/nfs/dbraw/zinc/66/70/31/555667031.db2.gz	ZUQWFXLZMMXNJV-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)c1	ZINC000014058108	555675114	/nfs/dbraw/zinc/67/51/14/555675114.db2.gz	YETXIHAHODJWIH-UHFFFAOYSA-N	-1	0	488.529	3.671	50	0		JHAARM
COC(=O)c1c2c(sc1NC(=S)N[N-]S(=O)(=O)c1c(C)cc(C)cc1C)C[C@@H](C)CC2	ZINC000020344474	555778271	/nfs/dbraw/zinc/77/82/71/555778271.db2.gz	KZCVNYWWRJCNKS-NSHDSACASA-N	-1	0	481.665	3.765	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1C	ZINC000020355879	555784827	/nfs/dbraw/zinc/78/48/27/555784827.db2.gz	OJOUUFCTPVMBMJ-UHFFFAOYSA-N	-1	0	457.577	3.567	50	0		JHAARM
COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000014367883	555800424	/nfs/dbraw/zinc/80/04/24/555800424.db2.gz	IRTUIMQFJCOLES-PEBXRYMYSA-N	-1	0	472.494	3.802	50	0		JHAARM
COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1	ZINC000020644539	555846427	/nfs/dbraw/zinc/84/64/27/555846427.db2.gz	YSNSWTWWTSNAIY-UHFFFAOYSA-N	-1	0	496.633	3.781	50	0		JHAARM
O=C(Nc1ncccc1O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1	ZINC000022265351	555906683	/nfs/dbraw/zinc/90/66/83/555906683.db2.gz	CVKOJDVFKNNBFG-UHFFFAOYSA-N	-1	0	454.327	3.664	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CCOc2ccccc2OC)c1	ZINC000015432800	555908494	/nfs/dbraw/zinc/90/84/94/555908494.db2.gz	HIFMYUADDMZCDA-UHFFFAOYSA-N	-1	0	456.520	3.912	50	0		JHAARM
CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341892	555953958	/nfs/dbraw/zinc/95/39/58/555953958.db2.gz	XQXNRJIMTLKURU-IBGZPJMESA-N	-1	0	451.552	3.508	50	0		JHAARM
O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NC1CCN(C(=O)c2ccoc2)CC1	ZINC000022900703	555964456	/nfs/dbraw/zinc/96/44/56/555964456.db2.gz	GNMYXHMRUCKIHS-UHFFFAOYSA-N	-1	0	468.579	3.633	50	0		JHAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000023157317	556025755	/nfs/dbraw/zinc/02/57/55/556025755.db2.gz	GVDSWHOYJWTSLQ-FQEVSTJZSA-N	-1	0	453.543	3.864	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCc3ccc(F)cc3)cc1)c2=O	ZINC000016840709	556163371	/nfs/dbraw/zinc/16/33/71/556163371.db2.gz	NUMLGAXNABPPJV-UHFFFAOYSA-N	-1	0	477.517	3.963	50	0		JHAARM
CC(C)CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)cc1	ZINC000012993214	556185279	/nfs/dbraw/zinc/18/52/79/556185279.db2.gz	ANAZQGSMGGEZEA-IBGZPJMESA-N	-1	0	474.579	3.849	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4ccccc4F)ccc32)cc1	ZINC000016954499	556185722	/nfs/dbraw/zinc/18/57/22/556185722.db2.gz	QVSRBXFCYSCUCF-UHFFFAOYSA-N	-1	0	476.551	3.777	50	0		JHAARM
O=C([O-])c1ccc2c(c1)nc(SCC(=O)NC1CCCCC1)n(CCc1ccccc1)c2=O	ZINC000013045155	556249857	/nfs/dbraw/zinc/24/98/57/556249857.db2.gz	FBIORXPBEDJZQY-UHFFFAOYSA-N	-1	0	465.575	3.878	50	0		JHAARM
Cc1ccc(/C=C/C(=O)NC(=S)N(C)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000018191342	556301254	/nfs/dbraw/zinc/30/12/54/556301254.db2.gz	UELGIMCLRSNGIF-KPKJPENVSA-N	-1	0	472.617	3.803	50	0		JHAARM
COc1ccc(Br)cc1/C=C(\C(=O)[O-])c1ccc(S(=O)(=O)N2CCCC2)s1	ZINC000013113304	556317456	/nfs/dbraw/zinc/31/74/56/556317456.db2.gz	BQTKOEPVLHOOBM-KAMYIIQDSA-N	-1	0	472.382	3.929	50	0		JHAARM
O=C([O-])c1ccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccc(Br)o2)cc1	ZINC000013130278	556355047	/nfs/dbraw/zinc/35/50/47/556355047.db2.gz	WNYVQDHJTNQHCF-OQLLNIDSSA-N	-1	0	499.273	3.879	50	0		JHAARM
CC(C)(C)c1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1	ZINC000030580992	556367448	/nfs/dbraw/zinc/36/74/48/556367448.db2.gz	DIWWHVPEFMTIJS-UHFFFAOYSA-N	-1	0	487.603	3.685	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1S(=O)(=O)N1CCOCC1	ZINC000032926336	556543730	/nfs/dbraw/zinc/54/37/30/556543730.db2.gz	MGTYKVLSEUQOFA-UHFFFAOYSA-N	-1	0	499.825	3.777	50	0		JHAARM
COc1cccc(-n2c3nc(SCC(=O)NCCc4ccccc4)[n-]c(=O)c3sc2=S)c1	ZINC000032948270	556563274	/nfs/dbraw/zinc/56/32/74/556563274.db2.gz	GJQZYUMTCCMRLY-UHFFFAOYSA-N	-1	0	484.628	3.964	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(Br)c3)[nH]n2)cc1	ZINC000032951069	556566658	/nfs/dbraw/zinc/56/66/58/556566658.db2.gz	OWAHLZQNTBWWIN-UHFFFAOYSA-N	-1	0	465.329	3.624	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000032961918	556579764	/nfs/dbraw/zinc/57/97/64/556579764.db2.gz	ZJDYGQGRNGCWCS-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)s3)ccc2Cl)cc1	ZINC000008686681	562952975	/nfs/dbraw/zinc/95/29/75/562952975.db2.gz	OMVNSALOVMFKHZ-UHFFFAOYSA-N	-1	0	493.994	3.888	50	0	aggregator	JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cc2cn3ccsc3n2)ccc1C	ZINC000008706635	569594510	/nfs/dbraw/zinc/59/45/10/569594510.db2.gz	XWTVLSUNPQZFNB-UHFFFAOYSA-N	-1	0	456.549	3.695	50	0		JHAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(Cl)c1	ZINC000008722831	569599073	/nfs/dbraw/zinc/59/90/73/569599073.db2.gz	IRSUQNSVSGICNI-UHFFFAOYSA-N	-1	0	452.970	3.724	50	0		JHAARM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)NCCc3ccccc3)ccc21	ZINC000008725732	569600402	/nfs/dbraw/zinc/60/04/02/569600402.db2.gz	JMOCMRASHOICAT-UHFFFAOYSA-N	-1	0	477.586	3.759	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000032962016	569602725	/nfs/dbraw/zinc/60/27/25/569602725.db2.gz	DVKWZGBLZGMIQW-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)nc2ccc(NC(=O)c3ccccc3F)cc21	ZINC000033010311	569616761	/nfs/dbraw/zinc/61/67/61/569616761.db2.gz	JCWKOERNLPZBAD-UHFFFAOYSA-N	-1	0	486.507	3.831	50	0		JHAARM
CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1cc(OC)ccc1OC	ZINC000064580471	569620457	/nfs/dbraw/zinc/62/04/57/569620457.db2.gz	XMABOHZYSTWRJJ-UHFFFAOYSA-N	-1	0	469.563	3.696	50	0		JHAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccccc4)c(C(=O)[O-])c3)CC2)c1	ZINC000064590086	569621071	/nfs/dbraw/zinc/62/10/71/569621071.db2.gz	XJESQYRYCCGGTJ-UHFFFAOYSA-N	-1	0	472.545	3.706	50	0		JHAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(NC(=O)C4CCCC4)c(C(=O)[O-])c3)CC2)c1	ZINC000064590465	569621501	/nfs/dbraw/zinc/62/15/01/569621501.db2.gz	YNQBAVNIXKVAJF-UHFFFAOYSA-N	-1	0	464.566	3.583	50	0		JHAARM
COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1	ZINC000064774622	569626861	/nfs/dbraw/zinc/62/68/61/569626861.db2.gz	BZDWDILROLJXBD-CQSZACIVSA-N	-1	0	467.551	3.967	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c1	ZINC000064862197	569639592	/nfs/dbraw/zinc/63/95/92/569639592.db2.gz	APGVGMLRQTUUOL-UHFFFAOYSA-N	-1	0	459.568	3.909	50	0		JHAARM
CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)cc1	ZINC000034763745	569658084	/nfs/dbraw/zinc/65/80/84/569658084.db2.gz	YVASIDUMYRAIGS-QGZVFWFLSA-N	-1	0	450.539	3.722	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)sc1C	ZINC000065116747	569666710	/nfs/dbraw/zinc/66/67/10/569666710.db2.gz	QUDZMIGBPHVLOD-UHFFFAOYSA-N	-1	0	476.580	3.932	50	0		JHAARM
O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000084429372	569709148	/nfs/dbraw/zinc/70/91/48/569709148.db2.gz	LNBFQDLTYSZHQC-UHFFFAOYSA-N	-1	0	473.938	3.987	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2C)c1	ZINC000085652027	569713675	/nfs/dbraw/zinc/71/36/75/569713675.db2.gz	NUXYXNZDYUBYLB-UHFFFAOYSA-N	-1	0	496.545	3.631	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C	ZINC000085652075	569713911	/nfs/dbraw/zinc/71/39/11/569713911.db2.gz	HXLCMZADDBBYRB-UHFFFAOYSA-N	-1	0	466.519	3.622	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000085652093	569714042	/nfs/dbraw/zinc/71/40/42/569714042.db2.gz	LJCLYHPWQJDZIY-UHFFFAOYSA-N	-1	0	486.937	3.967	50	0		JHAARM
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(C(=O)[O-])c1OC	ZINC000097729888	569745809	/nfs/dbraw/zinc/74/58/09/569745809.db2.gz	YWEYJSZQTOOQFK-VULFUBBASA-N	-1	0	461.474	3.727	50	0		JHAARM
O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(CCc4ccccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036358138	569772154	/nfs/dbraw/zinc/77/21/54/569772154.db2.gz	OVNDSAIDZJYQFT-MHZLTWQESA-N	-1	0	498.583	3.769	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1	ZINC000100859228	569772641	/nfs/dbraw/zinc/77/26/41/569772641.db2.gz	KNFBOQNCFIDGFB-RNXOBYDBSA-N	-1	0	492.539	3.666	50	0		JHAARM
COC(=O)Cn1c2ccccc2s/c1=N\C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000100876311	569773641	/nfs/dbraw/zinc/77/36/41/569773641.db2.gz	VNZLPYSSKUBXPE-IZHYLOQSSA-N	-1	0	495.582	3.726	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1	ZINC000101261158	569788264	/nfs/dbraw/zinc/78/82/64/569788264.db2.gz	HJPKJXBHDCJOLN-MSOLQXFVSA-N	-1	0	481.310	3.555	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC(C)C)cc5)no4)c=3c2=O)cc1Cl	ZINC000101262656	569788300	/nfs/dbraw/zinc/78/83/00/569788300.db2.gz	OJFVKAPYLRBJQG-PMACEKPBSA-N	-1	0	480.912	3.979	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1ccc2c(c1)CCC2	ZINC000101262755	569788464	/nfs/dbraw/zinc/78/84/64/569788464.db2.gz	IVGIXUSUFGFRFC-RBUKOAKNSA-N	-1	0	482.422	3.738	50	0		JHAARM
Cc1[nH]c2c(cccc2C(F)(F)F)c1CCNC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(C)C1=O	ZINC000101378181	569795198	/nfs/dbraw/zinc/79/51/98/569795198.db2.gz	POEHFBPIDUBDGE-ZZEZOPTASA-N	-1	0	485.466	3.659	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C	ZINC000101628674	569801996	/nfs/dbraw/zinc/80/19/96/569801996.db2.gz	VUUWCABGMMJIQF-OALUTQOASA-N	-1	0	456.564	3.788	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4O)[nH]n3)cc2)n1	ZINC000038704217	569806173	/nfs/dbraw/zinc/80/61/73/569806173.db2.gz	IZQNGOZHABDZFT-UHFFFAOYSA-N	-1	0	492.561	3.859	50	0		JHAARM
O=c1c2[n-][nH]n(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)c=2c(=O)n1-c1cccc(Cl)c1	ZINC000101893065	569807463	/nfs/dbraw/zinc/80/74/63/569807463.db2.gz	UFKOLAAEPXZYBG-CVEARBPZSA-N	-1	0	476.802	3.902	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Br)cc1	ZINC000102001291	569808815	/nfs/dbraw/zinc/80/88/15/569808815.db2.gz	YAWWLNOZRJCGST-JKSUJKDBSA-N	-1	0	497.136	3.688	50	0		JHAARM
C[C@@H](NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000039577233	569810893	/nfs/dbraw/zinc/81/08/93/569810893.db2.gz	IGRVQKYUOYSWCX-NEPJUHHUSA-N	-1	0	459.351	3.788	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000102290043	569811981	/nfs/dbraw/zinc/81/19/81/569811981.db2.gz	CHUKDFIWMUJMIB-BGYRXZFFSA-N	-1	0	456.564	3.788	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=O)c3sccc3[n-]c2=S)cc1	ZINC000102750645	569820921	/nfs/dbraw/zinc/82/09/21/569820921.db2.gz	KEXUOVNSNUAMEB-UHFFFAOYSA-N	-1	0	451.529	3.828	50	0		JHAARM
CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccc(OC)c(OC)c3)cnn21	ZINC000102810602	569824048	/nfs/dbraw/zinc/82/40/48/569824048.db2.gz	PKGCECJRHYVCGS-GOSISDBHSA-N	-1	0	464.478	3.535	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(OC)ccc3OC)cc21	ZINC000040450296	569828391	/nfs/dbraw/zinc/82/83/91/569828391.db2.gz	PHCQJOVFLIHMQW-UHFFFAOYSA-N	-1	0	469.357	3.566	50	0		JHAARM
COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(OC)c2)CC(=O)N3)c1	ZINC000049543099	569848415	/nfs/dbraw/zinc/84/84/15/569848415.db2.gz	WEWGWYJQOAAITR-HNNXBMFYSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(OC)c2OC)CC(=O)N3)c1	ZINC000049543254	569848449	/nfs/dbraw/zinc/84/84/49/569848449.db2.gz	BHDMYAHWPBGBOG-HNNXBMFYSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc(OC)cc3OC)cc2)s1	ZINC000210500773	569876029	/nfs/dbraw/zinc/87/60/29/569876029.db2.gz	PTUUPEUFXXCSSM-SDQBBNPISA-N	-1	0	474.564	3.570	50	0		JHAARM
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3C(=O)[O-])[C@@H]2C1=O	ZINC000230030723	570043698	/nfs/dbraw/zinc/04/36/98/570043698.db2.gz	NMPBEPIWKKUHAG-YTFSRNRJSA-N	-1	0	458.470	3.835	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@H]43)C2=O)cc1	ZINC000248152476	570075613	/nfs/dbraw/zinc/07/56/13/570075613.db2.gz	XBXBRAGULDMOJL-CVDCTZTESA-N	-1	0	473.451	3.898	50	0		JHAARM
COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c([O-])cc(C)oc1=O	ZINC000253406062	570097059	/nfs/dbraw/zinc/09/70/59/570097059.db2.gz	IRXLGBSLHSBIRE-FQEVSTJZSA-N	-1	0	450.487	3.905	50	0	biogenic	JHAARM
COc1ccc(CCNC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471133	570099127	/nfs/dbraw/zinc/09/91/27/570099127.db2.gz	MEKGFZXVUIHEBK-HXUWFJFHSA-N	-1	0	497.544	3.569	50	0		JHAARM
COc1ccc(NC(=O)C[C@@H](c2cc3c(c(OC)c2)OCO3)c2c([O-])cc(C)oc2=O)cc1	ZINC000253470785	570099138	/nfs/dbraw/zinc/09/91/38/570099138.db2.gz	DNWNXSNNDCBSIT-KRWDZBQOSA-N	-1	0	453.447	3.560	50	0		JHAARM
Cc1cc([O-])c([C@H](CC(=O)NCCc2c[nH]c3ccccc23)c2ccc3c(c2)OCO3)c(=O)o1	ZINC000253471262	570099259	/nfs/dbraw/zinc/09/92/59/570099259.db2.gz	ONDCIXFMVLFESL-LJQANCHMSA-N	-1	0	460.486	3.745	50	0		JHAARM
COc1ccc([C@@H](CC(=O)NCCCc2ccccc2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585870	570171356	/nfs/dbraw/zinc/17/13/56/570171356.db2.gz	NKBCSZXMYLAVHU-HXUWFJFHSA-N	-1	0	481.545	3.951	50	0	biogenic	JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(Cl)c3)cc2)n1	ZINC000001033584	194006526	/nfs/dbraw/zinc/00/65/26/194006526.db2.gz	UGLDJQSFFVTGER-UHFFFAOYSA-N	-1	0	466.972	3.657	50	0		JHAARM
CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1	ZINC000001772158	194136982	/nfs/dbraw/zinc/13/69/82/194136982.db2.gz	UGFOZKLWEOZXJH-UHFFFAOYSA-N	-1	0	456.524	3.717	50	0		JHAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1	ZINC000001804643	194143368	/nfs/dbraw/zinc/14/33/68/194143368.db2.gz	OJAYRIGZLIPQPC-UHFFFAOYSA-N	-1	0	467.981	3.506	50	0		JHAARM
Cc1sc2nc(SCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n(-c3ccccc3)c(=O)c2c1C	ZINC000001895285	194153455	/nfs/dbraw/zinc/15/34/55/194153455.db2.gz	VYXHRORDONBJHH-LJQANCHMSA-N	-1	0	493.610	3.968	50	0		JHAARM
COc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C(=O)[O-])cc2)c1	ZINC000002932329	194173642	/nfs/dbraw/zinc/17/36/42/194173642.db2.gz	VEXZPNRPWIOJCJ-UHFFFAOYSA-N	-1	0	467.528	3.885	50	0		JHAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2nc4ccccc4s2)C3=O)cc1	ZINC000002933735	194173907	/nfs/dbraw/zinc/17/39/07/194173907.db2.gz	IRIJPYUUQOLQEH-UHFFFAOYSA-N	-1	0	464.480	3.628	50	0		JHAARM
CCOc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[N-]C(=O)c2cccs2)cc1	ZINC000002974031	194190114	/nfs/dbraw/zinc/19/01/14/194190114.db2.gz	WMEPBUKSWMUJTL-UHFFFAOYSA-N	-1	0	480.571	3.971	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1	ZINC000003224461	194243583	/nfs/dbraw/zinc/24/35/83/194243583.db2.gz	YKYDMBIPDRBPLF-CQSZACIVSA-N	-1	0	487.559	3.691	50	0		JHAARM
COc1ccc(C)cc1-n1c(SCC(=O)N2CCC(C(=O)[O-])CC2)nnc1-c1cccs1	ZINC000003277440	194260655	/nfs/dbraw/zinc/26/06/55/194260655.db2.gz	GYZSPWGAGUOQPG-UHFFFAOYSA-N	-1	0	472.592	3.728	50	0		JHAARM
O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000003285538	194264198	/nfs/dbraw/zinc/26/41/98/194264198.db2.gz	MUXIAOFEOMNPPO-UHFFFAOYSA-N	-1	0	485.374	3.619	50	0		JHAARM
COc1ccc(O)c(C(=O)c2cc(SCC(=O)[O-])c3nc4sc5c(c4c(=O)n3c2)CCCC5)c1	ZINC000003426013	194319922	/nfs/dbraw/zinc/31/99/22/194319922.db2.gz	VVQZEWVOOOTEQG-UHFFFAOYSA-N	-1	0	496.566	3.910	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N2CCc3ccccc3C2)cc1	ZINC000003431332	194322367	/nfs/dbraw/zinc/32/23/67/194322367.db2.gz	XLMLJDMLAYWGIO-UHFFFAOYSA-N	-1	0	494.569	3.628	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Br)cc2)c1C	ZINC000003947383	194367070	/nfs/dbraw/zinc/36/70/70/194367070.db2.gz	PEEPWZJSEKZMTH-UHFFFAOYSA-N	-1	0	480.340	3.872	50	0		JHAARM
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000004522023	194391571	/nfs/dbraw/zinc/39/15/71/194391571.db2.gz	ZYMBRKPUIOABMS-SFHVURJKSA-N	-1	0	493.010	3.990	50	0		JHAARM
COc1cc2c(cc1OC)[C@H](C)N(C(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1C)CC2	ZINC000009033539	194507479	/nfs/dbraw/zinc/50/74/79/194507479.db2.gz	JVYXTOINDJVEKP-INIZCTEOSA-N	-1	0	481.574	3.502	50	0	biogenic	JHAARM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000009323399	194691457	/nfs/dbraw/zinc/69/14/57/194691457.db2.gz	RDUODJRXPGLMTD-MDBUFAAASA-N	-1	0	471.487	3.570	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1C(=O)N1CCCC1	ZINC000009356534	194711511	/nfs/dbraw/zinc/71/15/11/194711511.db2.gz	WCEJFSXGDGBLTH-UHFFFAOYSA-N	-1	0	493.585	3.662	50	0		JHAARM
O=C([O-])CSc1c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2nc2c1CCCC2	ZINC000009611670	194816535	/nfs/dbraw/zinc/81/65/35/194816535.db2.gz	VFQVHJRWFDOQOS-MRXNPFEDSA-N	-1	0	464.543	3.860	50	0		JHAARM
COc1ccc(C(=O)N[C@H](C)C2CC2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000009876498	195008660	/nfs/dbraw/zinc/00/86/60/195008660.db2.gz	RPZATWVBICDRDZ-GFCCVEGCSA-N	-1	0	453.358	3.787	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(F)cc1)C(C)C	ZINC000009934525	195027351	/nfs/dbraw/zinc/02/73/51/195027351.db2.gz	MHUITTSEGQPRHK-FQEVSTJZSA-N	-1	0	499.568	3.993	50	0		JHAARM
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccn(Cc3cccc4cccnc43)n2)cc1	ZINC000062620967	195427365	/nfs/dbraw/zinc/42/73/65/195427365.db2.gz	IKQDRXDGAFSQAJ-UHFFFAOYSA-N	-1	0	489.479	3.573	50	0		JHAARM
CCOC(=O)c1cnc([N-]c2nc3ccccc3o2)nc1CN1CCN(c2ccccc2)CC1	ZINC000096299693	130053634	/nfs/dbraw/zinc/05/36/34/130053634.db2.gz	HFQJZJGEARJFHZ-UHFFFAOYSA-N	-1	0	458.522	3.860	50	0		JHAARM
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1Oc1c(C)c(C(=O)[O-])nn1C	ZINC000096317741	130062035	/nfs/dbraw/zinc/06/20/35/130062035.db2.gz	MGJNUCHHVGMJLE-LBPRGKRZSA-N	-1	0	492.579	3.610	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(NC(=O)COc4ccccc4)c(C(=O)[O-])c3)CC2)cc1	ZINC000045967818	518353631	/nfs/dbraw/zinc/35/36/31/518353631.db2.gz	AYXWZPOGTPPTAF-UHFFFAOYSA-N	-1	0	473.529	3.932	50	0		JHAARM
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012508518	519481041	/nfs/dbraw/zinc/48/10/41/519481041.db2.gz	GHHLFANCWNGGOJ-FQEVSTJZSA-N	-1	0	468.560	3.847	50	0		JHAARM
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O	ZINC000046078361	519702045	/nfs/dbraw/zinc/70/20/45/519702045.db2.gz	QNVQNAZORXYVGI-UHFFFAOYSA-N	-1	0	477.468	3.848	50	0		JHAARM
CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc2s1	ZINC000033299046	520545789	/nfs/dbraw/zinc/54/57/89/520545789.db2.gz	RPFDODOEMKJVCI-UHFFFAOYSA-N	-1	0	460.986	3.943	50	0		JHAARM
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)[O-]	ZINC000016382373	520785280	/nfs/dbraw/zinc/78/52/80/520785280.db2.gz	CFVCGCZJZVDRCC-HXUWFJFHSA-N	-1	0	493.438	3.834	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(N(C)C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1	ZINC000012521265	520797115	/nfs/dbraw/zinc/79/71/15/520797115.db2.gz	XSGBBLUIZDNZRK-UHFFFAOYSA-N	-1	0	480.439	3.891	50	0		JHAARM
CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(OC)cc5)c(=O)c3=4)c(C)o2)cc1	ZINC000012414335	520817146	/nfs/dbraw/zinc/81/71/46/520817146.db2.gz	OAWZNLMEVSUZDA-RTWAWAEBSA-N	-1	0	461.478	3.551	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)c(C)c2)C1	ZINC000033253863	521302868	/nfs/dbraw/zinc/30/28/68/521302868.db2.gz	UAHOJMDDMOIZDT-SFHVURJKSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc3nc(SC)c(=O)n(C)c3c2)sc2c1CCCC2	ZINC000012413911	521419011	/nfs/dbraw/zinc/41/90/11/521419011.db2.gz	SHPMZKDBTPJEFL-UHFFFAOYSA-N	-1	0	493.632	3.573	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)c1	ZINC000033171405	521545725	/nfs/dbraw/zinc/54/57/25/521545725.db2.gz	VCBWMBXFYASPHJ-UHFFFAOYSA-N	-1	0	480.546	3.999	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](CC(=O)N1CCCC1)CS2	ZINC000033290389	521553335	/nfs/dbraw/zinc/55/33/35/521553335.db2.gz	DWGHQICFPBKSMW-MRXNPFEDSA-N	-1	0	489.619	3.559	50	0		JHAARM
COC(=O)c1cccc(NC(=O)/C=C\c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2)c1	ZINC000033527577	522218980	/nfs/dbraw/zinc/21/89/80/522218980.db2.gz	UOXDHJREBRLCEY-QINSGFPZSA-N	-1	0	466.515	3.935	50	0		JHAARM
COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c1	ZINC000033308028	522242454	/nfs/dbraw/zinc/24/24/54/522242454.db2.gz	PEPILKDRQTWNJJ-UHFFFAOYSA-N	-1	0	463.519	3.534	50	0		JHAARM
COCCCNC(=O)CCc1nnc(-c2ccc(OCc3ccccc3Cl)c(OC)c2)[n-]c1=O	ZINC000034766861	523318044	/nfs/dbraw/zinc/31/80/44/523318044.db2.gz	NSNRVZNJZHQOAF-UHFFFAOYSA-N	-1	0	486.956	3.571	50	0		JHAARM
COc1ccc(C)cc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)c(Cl)c2)c(=O)[n-]1	ZINC000012414589	523826196	/nfs/dbraw/zinc/82/61/96/523826196.db2.gz	UODSZPFBKYQNFN-UHFFFAOYSA-N	-1	0	493.994	3.612	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C	ZINC000033123141	523844196	/nfs/dbraw/zinc/84/41/96/523844196.db2.gz	MOCBOASANCWCMA-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc(=O)c2c1	ZINC000002430207	524351715	/nfs/dbraw/zinc/35/17/15/524351715.db2.gz	FNOPAJGFSYWSFV-UHFFFAOYSA-N	-1	0	478.530	3.870	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(OC)c1	ZINC000021632370	524646814	/nfs/dbraw/zinc/64/68/14/524646814.db2.gz	WYKGUCOIWQZTMT-UHFFFAOYSA-N	-1	0	495.557	3.884	50	0		JHAARM
Cc1cc(Cl)c(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1OCC(=O)NC1CCCCC1	ZINC000016320080	524851460	/nfs/dbraw/zinc/85/14/60/524851460.db2.gz	HTNAGAAQUNUKJM-QFIPXVFZSA-N	-1	0	494.997	3.580	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)c1	ZINC000033274814	524879729	/nfs/dbraw/zinc/87/97/29/524879729.db2.gz	JQOVUJFPUFXLMR-UHFFFAOYSA-N	-1	0	458.580	3.985	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2C)n(C)c(=O)n3C)cc1	ZINC000046009551	524992437	/nfs/dbraw/zinc/99/24/37/524992437.db2.gz	RFSPUQBCFUGQNP-UHFFFAOYSA-N	-1	0	453.520	3.787	50	0		JHAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCC(c3nc4ccccc4o3)CC1)cn2CC(=O)[O-]	ZINC000036357953	525603788	/nfs/dbraw/zinc/60/37/88/525603788.db2.gz	IXMBKDLQOYURHN-HSZRJFAPSA-N	-1	0	463.490	3.881	50	0		JHAARM
COc1cccc(-n2c(=O)c3ccccc3nc2SCC(=O)Nc2ccc(C(=O)[O-])cc2)c1	ZINC000016046431	525743573	/nfs/dbraw/zinc/74/35/73/525743573.db2.gz	CTBVTJDVYCFTIY-UHFFFAOYSA-N	-1	0	461.499	3.823	50	0		JHAARM
C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)n1nc(-c2ccc(F)cc2)ccc1=O	ZINC000044391921	526144642	/nfs/dbraw/zinc/14/46/42/526144642.db2.gz	VUURJXCKWFARDK-CQSZACIVSA-N	-1	0	499.549	3.506	50	0		JHAARM
Cc1oc2cc(OCC(=O)N[C@@H](C)C(=O)[O-])ccc2c(=O)c1Oc1ccccc1Br	ZINC000012389143	526779086	/nfs/dbraw/zinc/77/90/86/526779086.db2.gz	WPQFSIAGUNLTNB-NSHDSACASA-N	-1	0	476.279	3.624	50	0		JHAARM
O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCOCC1	ZINC000012508604	526930164	/nfs/dbraw/zinc/93/01/64/526930164.db2.gz	YXYOWUANSDFWPT-UHFFFAOYSA-N	-1	0	454.426	3.725	50	0		JHAARM
O=C(COCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000008720269	526942759	/nfs/dbraw/zinc/94/27/59/526942759.db2.gz	NHQOTQZDBMHBJR-UHFFFAOYSA-N	-1	0	460.562	3.709	50	0		JHAARM
O=C(CSc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1)Nc1ccc2c(c1)OCCO2	ZINC000022704349	527036516	/nfs/dbraw/zinc/03/65/16/527036516.db2.gz	LZHJKGLBYDGDBU-RBUKOAKNSA-N	-1	0	468.531	3.794	50	0		JHAARM
O=C(Nc1ccc(CCO)cc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000013548863	527167588	/nfs/dbraw/zinc/16/75/88/527167588.db2.gz	GMGKOUAGLKHNOY-UHFFFAOYSA-N	-1	0	453.545	3.884	50	0		JHAARM
Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1	ZINC000033308037	527519091	/nfs/dbraw/zinc/51/90/91/527519091.db2.gz	VBUBCBSAFLPOFM-UHFFFAOYSA-N	-1	0	490.589	3.584	50	0		JHAARM
COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1OC	ZINC000000672799	553746517	/nfs/dbraw/zinc/74/65/17/553746517.db2.gz	IAZZJOSRGOLSOP-WUXMJOGZSA-N	-1	0	457.508	3.761	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)nc(C)n1	ZINC000000878787	553814722	/nfs/dbraw/zinc/81/47/22/553814722.db2.gz	GMCFCTYMDQYBOK-UHFFFAOYSA-N	-1	0	461.341	3.909	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)s1	ZINC000000945158	553878902	/nfs/dbraw/zinc/87/89/02/553878902.db2.gz	PVUGLLYKORMMRJ-UHFFFAOYSA-N	-1	0	452.945	3.572	50	0		JHAARM
CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000953512	553882381	/nfs/dbraw/zinc/88/23/81/553882381.db2.gz	MDERRFFRKIETRV-UHFFFAOYSA-N	-1	0	477.546	3.785	50	0		JHAARM
O=C([O-])C1(c2ccccc2)CCN(C(=O)COc2ccc3c(c2)oc(=O)c2c3CCCC2)CC1	ZINC000002114711	554052890	/nfs/dbraw/zinc/05/28/90/554052890.db2.gz	HEUYRQWAQSPBJO-UHFFFAOYSA-N	-1	0	461.514	3.696	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002134755	554061558	/nfs/dbraw/zinc/06/15/58/554061558.db2.gz	QKQANAPOAKDCJR-WNSKOXEYSA-N	-1	0	492.528	3.902	50	0	biogenic	JHAARM
Cc1c(C)c2cc(Cl)c(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])cc2oc1=O	ZINC000002135290	554061810	/nfs/dbraw/zinc/06/18/10/554061810.db2.gz	LXRUOIZEFNBILZ-ZUOKHONESA-N	-1	0	498.919	3.830	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002135900	554062056	/nfs/dbraw/zinc/06/20/56/554062056.db2.gz	WHWMBRCCLUDFRJ-HXUWFJFHSA-N	-1	0	498.919	3.777	50	0	biogenic	JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(OCC(=O)Nc3nncs3)c(C)cc2Cl)cc1	ZINC000002184342	554081512	/nfs/dbraw/zinc/08/15/12/554081512.db2.gz	KOUFLZVOEIDBTG-UHFFFAOYSA-N	-1	0	482.971	3.717	50	0		JHAARM
COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000002621546	554246310	/nfs/dbraw/zinc/24/63/10/554246310.db2.gz	YCIHAGWOEGBRIX-UHFFFAOYSA-N	-1	0	468.462	3.994	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C(F)(F)F)c3)cc2)n1	ZINC000002655878	554271818	/nfs/dbraw/zinc/27/18/18/554271818.db2.gz	OGXTZRSBHOAKPF-UHFFFAOYSA-N	-1	0	480.468	3.931	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc(OC)cc2)cc1	ZINC000002656698	554272001	/nfs/dbraw/zinc/27/20/01/554272001.db2.gz	XNBSBSSDAPPHDD-UHFFFAOYSA-N	-1	0	484.530	3.690	50	0		JHAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)c(Cl)c2)n1	ZINC000002804136	554355260	/nfs/dbraw/zinc/35/52/60/554355260.db2.gz	WGIVNQVLMWMPHY-UHFFFAOYSA-N	-1	0	451.286	3.642	50	0		JHAARM
O=C([O-])C1CCC(Cn2c(=O)c3sccc3nc2SCC(=O)Nc2nccs2)CC1	ZINC000002932254	554411949	/nfs/dbraw/zinc/41/19/49/554411949.db2.gz	ZHGFPMUWFHASJU-UHFFFAOYSA-N	-1	0	464.594	3.536	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000005706751	554492833	/nfs/dbraw/zinc/49/28/33/554492833.db2.gz	NRTMQKMHFPBQNP-DQEYMECFSA-N	-1	0	485.540	3.818	50	0		JHAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccc(OC(F)(F)F)cc2)C3=O)cc1	ZINC000006034575	554500651	/nfs/dbraw/zinc/50/06/51/554500651.db2.gz	HLWCYSFTMDSOLS-UHFFFAOYSA-N	-1	0	491.399	3.917	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)ncn1	ZINC000006088740	554503861	/nfs/dbraw/zinc/50/38/61/554503861.db2.gz	YBXPBJCDDWZOSX-UHFFFAOYSA-N	-1	0	453.307	3.845	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C)cc3)cc2)no1	ZINC000006088862	554503892	/nfs/dbraw/zinc/50/38/92/554503892.db2.gz	ADCAQECOUAFURN-KPKJPENVSA-N	-1	0	456.549	3.619	50	0		JHAARM
COc1ccccc1N1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000008746763	554649971	/nfs/dbraw/zinc/64/99/71/554649971.db2.gz	STAANDFYYHETCO-UHFFFAOYSA-N	-1	0	475.574	3.766	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1	ZINC000009126285	554919810	/nfs/dbraw/zinc/91/98/10/554919810.db2.gz	BWQQMEWZORQRKS-UHFFFAOYSA-N	-1	0	465.531	3.875	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2CCCO2)ccc1N1CCCCC1	ZINC000009218470	554987366	/nfs/dbraw/zinc/98/73/66/554987366.db2.gz	CSOSNFQTYRSGKP-NRFANRHFSA-N	-1	0	459.568	3.604	50	0		JHAARM
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)c([O-])c(Br)c3)C2=O)cc1	ZINC000009262317	555037125	/nfs/dbraw/zinc/03/71/25/555037125.db2.gz	LYJGXUFSTZPVLK-OVCLIPMQSA-N	-1	0	464.703	3.648	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(F)c2)ccc1N1CCOCC1	ZINC000009285232	555059277	/nfs/dbraw/zinc/05/92/77/555059277.db2.gz	OCVYQMGOOORVND-UHFFFAOYSA-N	-1	0	485.537	3.724	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ccccc2F)CC1	ZINC000009434339	555205362	/nfs/dbraw/zinc/20/53/62/555205362.db2.gz	LZCPYNLVFUEDIX-UHFFFAOYSA-N	-1	0	498.580	3.836	50	0		JHAARM
CCc1ccc(CNC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2Cl)cc1	ZINC000009490622	555266388	/nfs/dbraw/zinc/26/63/88/555266388.db2.gz	JKSFGKMCMWLEGR-UHFFFAOYSA-N	-1	0	453.955	3.733	50	0		JHAARM
CCc1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)N4CCCCC4)c(O)c3c2)cc1	ZINC000009490567	555266417	/nfs/dbraw/zinc/26/64/17/555266417.db2.gz	WJFSLMMWAZOMIK-UHFFFAOYSA-N	-1	0	453.564	3.542	50	0		JHAARM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1	ZINC000009490980	555267280	/nfs/dbraw/zinc/26/72/80/555267280.db2.gz	OQRNPYKHQQFIMN-MRXNPFEDSA-N	-1	0	467.547	3.945	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000009493893	555276809	/nfs/dbraw/zinc/27/68/09/555276809.db2.gz	PVTZAUIWYPOWJR-UHFFFAOYSA-N	-1	0	461.005	3.959	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2COc3ccccc3O2)ccc1C	ZINC000009510033	555298737	/nfs/dbraw/zinc/29/87/37/555298737.db2.gz	CSZBJRMVKAGNKA-OAQYLSRUSA-N	-1	0	454.504	3.583	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	ZINC000013249506	555370242	/nfs/dbraw/zinc/37/02/42/555370242.db2.gz	FVQZWEDGULQVGS-CABCVRRESA-N	-1	0	464.927	3.755	50	0		JHAARM
Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)C2=O)cc1Cl	ZINC000009683222	555411000	/nfs/dbraw/zinc/41/10/00/555411000.db2.gz	FQHBVYHUYOSLPZ-QGZVFWFLSA-N	-1	0	476.967	3.650	50	0		JHAARM
Nc1nc(SCC(=O)Nc2cccc3ccccc32)[n-]c(=O)c1NC(=O)c1cccs1	ZINC000009599476	555419527	/nfs/dbraw/zinc/41/95/27/555419527.db2.gz	QPRAXMSJFNOTOK-UHFFFAOYSA-N	-1	0	451.533	3.550	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1	ZINC000009714252	555442696	/nfs/dbraw/zinc/44/26/96/555442696.db2.gz	JFNVTHJSRAXCOU-UHFFFAOYSA-N	-1	0	462.549	3.614	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(Cl)c1Cl	ZINC000009631101	555459542	/nfs/dbraw/zinc/45/95/42/555459542.db2.gz	LUUMQNHUETWQIE-UHFFFAOYSA-N	-1	0	461.348	3.866	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2F)CC1	ZINC000009828495	555526013	/nfs/dbraw/zinc/52/60/13/555526013.db2.gz	HBRBOAMUQRYIEB-UHFFFAOYSA-N	-1	0	495.001	3.628	50	0		JHAARM
COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(=O)Nc4ccccc4)cnn32)ccc1O	ZINC000013607156	555531362	/nfs/dbraw/zinc/53/13/62/555531362.db2.gz	FYQNMCWRVAFKLW-LJQANCHMSA-N	-1	0	486.484	3.931	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCC2)cc1OC	ZINC000009858169	555559661	/nfs/dbraw/zinc/55/96/61/555559661.db2.gz	YHMIJRTWMDTBAZ-UHFFFAOYSA-N	-1	0	466.559	3.890	50	0		JHAARM
Cc1cc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)CC2)nc(C(C)C)n1	ZINC000010055188	555607828	/nfs/dbraw/zinc/60/78/28/555607828.db2.gz	OVAIBMACAXQZGP-UHFFFAOYSA-N	-1	0	485.635	3.733	50	0		JHAARM
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1	ZINC000013949460	555659066	/nfs/dbraw/zinc/65/90/66/555659066.db2.gz	WHVLVVHETFXCRO-IRXDYDNUSA-N	-1	0	459.593	3.987	50	0		JHAARM
COc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1	ZINC000010272557	555666763	/nfs/dbraw/zinc/66/67/63/555666763.db2.gz	NZPVTYWKUFRLOM-UHFFFAOYSA-N	-1	0	487.603	3.640	50	0		JHAARM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1OCC(=O)[O-]	ZINC000020290142	555761662	/nfs/dbraw/zinc/76/16/62/555761662.db2.gz	AYWPGGOYVAHVBH-ODLFYWEKSA-N	-1	0	484.530	3.841	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H](C)n3c4ccccc4oc3=O)ccc2OC)cc1	ZINC000014329998	555795032	/nfs/dbraw/zinc/79/50/32/555795032.db2.gz	GCXUYZZNIUAJEP-OAHLLOKOSA-N	-1	0	497.529	3.612	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1)CN(C(=O)c1ccccc1F)CC2	ZINC000011785279	555817294	/nfs/dbraw/zinc/81/72/94/555817294.db2.gz	KMDZWGOJTRREBP-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-])oc1c3CCCC1	ZINC000011865583	555840572	/nfs/dbraw/zinc/84/05/72/555840572.db2.gz	QVZAOBGEWRIRIX-OAQYLSRUSA-N	-1	0	475.497	3.787	50	0		JHAARM
O=C([O-])C[C@H](CNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccc(Cl)cc1	ZINC000011867218	555843939	/nfs/dbraw/zinc/84/39/39/555843939.db2.gz	JRLZCKXEHAKEKI-NKELODKYSA-N	-1	0	497.979	3.524	50	0		JHAARM
CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(F)c(F)c2)CC1	ZINC000022853556	555960327	/nfs/dbraw/zinc/96/03/27/555960327.db2.gz	VRHJSZXFHPEREM-KRWDZBQOSA-N	-1	0	450.511	3.702	50	0		JHAARM
COC(=O)c1ccc(NC(=O)CSc2[n-]c3ccc(Cl)cc3c(=O)c2C(=O)OC)cc1	ZINC000015731473	555974796	/nfs/dbraw/zinc/97/47/96/555974796.db2.gz	SKYXEBLULXGLPL-UHFFFAOYSA-N	-1	0	460.895	3.898	50	0		JHAARM
CCOC(=O)COc1c(Br)c(Br)c(/C=C/C(=O)[O-])cc1OCC	ZINC000012394612	555975411	/nfs/dbraw/zinc/97/54/11/555975411.db2.gz	HEKSIITZOFTTSD-AATRIKPKSA-N	-1	0	452.095	3.650	50	0		JHAARM
Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)nc2c1	ZINC000012529488	555999463	/nfs/dbraw/zinc/99/94/63/555999463.db2.gz	FEXDWFHHDQYDSR-CQSZACIVSA-N	-1	0	468.564	3.581	50	0		JHAARM
CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)c(OC)c3OC)C2)c([O-])[nH]c1=S	ZINC000015834909	556019960	/nfs/dbraw/zinc/01/99/60/556019960.db2.gz	HCPKWHPINOAGLO-HNNXBMFYSA-N	-1	0	490.582	3.525	50	0		JHAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1	ZINC000023143992	556022902	/nfs/dbraw/zinc/02/29/02/556022902.db2.gz	JUKXHPOBTRDWEI-UHFFFAOYSA-N	-1	0	453.495	3.951	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CCCC2)cc1Br	ZINC000012548473	556026597	/nfs/dbraw/zinc/02/65/97/556026597.db2.gz	BUUAXTCIGDGINK-UHFFFAOYSA-N	-1	0	453.358	3.931	50	0		JHAARM
CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1ccc(C(=O)[O-])cc1	ZINC000012551887	556033965	/nfs/dbraw/zinc/03/39/65/556033965.db2.gz	FVTDVYSOATVIQC-AQTBWJFISA-N	-1	0	475.954	3.512	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4ccc(F)cc4F)cc3[nH]c2=O)cc1	ZINC000015936374	556073897	/nfs/dbraw/zinc/07/38/97/556073897.db2.gz	NIQPBPLOFMADSV-UHFFFAOYSA-N	-1	0	486.452	3.606	50	0		JHAARM
CN1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)[C@H](c2ccccc2)C1	ZINC000024443874	556131197	/nfs/dbraw/zinc/13/11/97/556131197.db2.gz	CTHPPISRJXXFFK-NRFANRHFSA-N	-1	0	455.605	3.607	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1-c1nnnn1C1CC1	ZINC000024843462	556160919	/nfs/dbraw/zinc/16/09/19/556160919.db2.gz	CAOMBMKKUOWRJE-UHFFFAOYSA-N	-1	0	464.345	3.637	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCN(c4ccccc4)CC3)cs2)cc1	ZINC000016848576	556170023	/nfs/dbraw/zinc/17/00/23/556170023.db2.gz	RCXUFPZVBSQPAD-UHFFFAOYSA-N	-1	0	470.620	3.534	50	0		JHAARM
COc1ccc(-c2cn3cccnc3n2)cc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000016959605	556189574	/nfs/dbraw/zinc/18/95/74/556189574.db2.gz	ODDFVDOFWBAPIO-UHFFFAOYSA-N	-1	0	459.325	3.968	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1	ZINC000025183325	556203706	/nfs/dbraw/zinc/20/37/06/556203706.db2.gz	OFMXESZRUSITIX-UHFFFAOYSA-N	-1	0	462.531	3.993	50	0		JHAARM
COc1ccc(Br)cc1CN(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S	ZINC000017957762	556272906	/nfs/dbraw/zinc/27/29/06/556272906.db2.gz	STCFCLYMYNVNMP-UHFFFAOYSA-N	-1	0	462.369	3.879	50	0		JHAARM
COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2c(F)cccc2F)cc(OC)c1OC	ZINC000027527501	556288061	/nfs/dbraw/zinc/28/80/61/556288061.db2.gz	JRNIKNIXWMWEMB-UHFFFAOYSA-N	-1	0	467.428	3.751	50	0		JHAARM
O=C([O-])CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1	ZINC000027641670	556301375	/nfs/dbraw/zinc/30/13/75/556301375.db2.gz	WWMXHYUXIKWXSR-AAHOZRAYSA-N	-1	0	456.457	3.769	50	0	in-vitro	JHAARM
COc1c(C)cnc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Br)cc43)CC2)c1C	ZINC000031810040	556406120	/nfs/dbraw/zinc/40/61/20/556406120.db2.gz	CJPKKFDFBDOGIK-NRFANRHFSA-N	-1	0	487.398	3.894	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1	ZINC000032889607	556523765	/nfs/dbraw/zinc/52/37/65/556523765.db2.gz	JNEBLAJLXWLIRY-UHFFFAOYSA-N	-1	0	460.943	3.863	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCc3cccs3)cc1)c2=O	ZINC000032959335	556576095	/nfs/dbraw/zinc/57/60/95/556576095.db2.gz	NKAANTVCMQAMFS-UHFFFAOYSA-N	-1	0	465.556	3.512	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1S(=O)(=O)N1CCCCC1	ZINC000008686686	562952987	/nfs/dbraw/zinc/95/29/87/562952987.db2.gz	DPPHDJLYFNPBRT-UHFFFAOYSA-N	-1	0	479.407	3.977	50	0		JHAARM
COc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000062279572	569610634	/nfs/dbraw/zinc/61/06/34/569610634.db2.gz	ONASUABPWMRBKL-HSZRJFAPSA-N	-1	0	479.602	3.933	50	0		JHAARM
Cn1cnnc1Sc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000062590027	569612309	/nfs/dbraw/zinc/61/23/09/569612309.db2.gz	IZHHLYSAHBUIAA-UHFFFAOYSA-N	-1	0	461.313	3.808	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)cc1	ZINC000033006879	569615042	/nfs/dbraw/zinc/61/50/42/569615042.db2.gz	NJWZDVUFLWSAOV-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000063620097	569615715	/nfs/dbraw/zinc/61/57/15/569615715.db2.gz	VCYWLMRHDSUIQZ-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1	ZINC000064557880	569618292	/nfs/dbraw/zinc/61/82/92/569618292.db2.gz	JROZBVGQSJMHSQ-NRFANRHFSA-N	-1	0	462.527	3.679	50	0		JHAARM
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O	ZINC000064774460	569626423	/nfs/dbraw/zinc/62/64/23/569626423.db2.gz	MQSPSOMAZDJKBC-UHFFFAOYSA-N	-1	0	459.478	3.828	50	0		JHAARM
COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1	ZINC000064774621	569626909	/nfs/dbraw/zinc/62/69/09/569626909.db2.gz	BZDWDILROLJXBD-AWEZNQCLSA-N	-1	0	467.551	3.967	50	0		JHAARM
O=C([O-])c1ccc(N2CCCN(c3ccc(Cl)nn3)CC2)c(NC(=O)c2ccc(F)cc2)c1	ZINC000064820423	569636206	/nfs/dbraw/zinc/63/62/06/569636206.db2.gz	SZFJVSDULBITQE-UHFFFAOYSA-N	-1	0	469.904	3.936	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(OC)c3)c1)NC(=O)CCC2=O	ZINC000065011162	569648333	/nfs/dbraw/zinc/64/83/33/569648333.db2.gz	DXEJEVOCVKWQRD-UHFFFAOYSA-N	-1	0	498.561	3.693	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)CCc2nnc(-c3ccc(OCc4ccccc4)cc3)[n-]c2=O)CC1	ZINC000034762662	569657971	/nfs/dbraw/zinc/65/79/71/569657971.db2.gz	WQXINRQUEZHSEW-UHFFFAOYSA-N	-1	0	490.560	3.558	50	0		JHAARM
CSc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1	ZINC000065097420	569661236	/nfs/dbraw/zinc/66/12/36/569661236.db2.gz	BYRODPPNDBBPDQ-UHFFFAOYSA-N	-1	0	450.567	3.557	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)sc1C	ZINC000065116764	569666665	/nfs/dbraw/zinc/66/66/65/569666665.db2.gz	KYRVHDYZHSJKCQ-UHFFFAOYSA-N	-1	0	462.553	3.542	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ncc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC000035397773	569688279	/nfs/dbraw/zinc/68/82/79/569688279.db2.gz	NSMHIDAQPWEXED-UHFFFAOYSA-N	-1	0	485.610	3.617	50	0		JHAARM
CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000072191477	569699917	/nfs/dbraw/zinc/69/99/17/569699917.db2.gz	XCDAQIQACHTNGS-UHFFFAOYSA-N	-1	0	467.551	3.525	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2OC)cc1	ZINC000085652116	569714060	/nfs/dbraw/zinc/71/40/60/569714060.db2.gz	WJGDXHDHBRIYBJ-UHFFFAOYSA-N	-1	0	496.545	3.712	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1	ZINC000085652133	569714086	/nfs/dbraw/zinc/71/40/86/569714086.db2.gz	QZRFTBNEQRVTSK-UHFFFAOYSA-N	-1	0	494.529	3.516	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3cccnc3)CC1)cn2Cc1ccccc1	ZINC000036358815	569772209	/nfs/dbraw/zinc/77/22/09/569772209.db2.gz	IWAAEQKRRTWYLM-AREMUKBSSA-N	-1	0	484.556	3.726	50	0		JHAARM
O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(Cc4cccnc4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036365842	569772872	/nfs/dbraw/zinc/77/28/72/569772872.db2.gz	AELZZUOWYXIPDA-SANMLTNESA-N	-1	0	484.556	3.726	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000101166607	569785658	/nfs/dbraw/zinc/78/56/58/569785658.db2.gz	ADCAWRFKLSXPGH-FGZHOGPDSA-N	-1	0	459.437	3.550	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000101416922	569797396	/nfs/dbraw/zinc/79/73/96/569797396.db2.gz	CRFLPKDXODINNQ-BJKOFHAPSA-N	-1	0	485.500	3.810	50	0		JHAARM
CCCCn1c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)c(OC)c3)C2)c([O-])[nH]c1=S	ZINC000101495394	569800379	/nfs/dbraw/zinc/80/03/79/569800379.db2.gz	OAJOBROBLQCYLE-OAHLLOKOSA-N	-1	0	460.556	3.516	50	0		JHAARM
CCc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	ZINC000101628138	569801919	/nfs/dbraw/zinc/80/19/19/569801919.db2.gz	DTUXOHZXXSSYDR-BGYRXZFFSA-N	-1	0	456.564	3.734	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1C	ZINC000101628672	569802054	/nfs/dbraw/zinc/80/20/54/569802054.db2.gz	VUUWCABGMMJIQF-KDURUIRLSA-N	-1	0	456.564	3.788	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000101629216	569802190	/nfs/dbraw/zinc/80/21/90/569802190.db2.gz	XGQXQFJVNXBUAP-HDICACEKSA-N	-1	0	462.955	3.825	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)cc1Cl	ZINC000040450170	569828145	/nfs/dbraw/zinc/82/81/45/569828145.db2.gz	DJAVJGJAVKLICK-UHFFFAOYSA-N	-1	0	459.749	3.821	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc(OC)c1	ZINC000040454522	569829372	/nfs/dbraw/zinc/82/93/72/569829372.db2.gz	CZMOCUPAMXSARN-LLVKDONJSA-N	-1	0	469.357	3.565	50	0		JHAARM
C[C@@H]1CCC[C@H](NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc32)c2ccccc2)[C@H]1C	ZINC000245276379	570061163	/nfs/dbraw/zinc/06/11/63/570061163.db2.gz	VIRHPVOBUQAHCO-RPWFAHAXSA-N	-1	0	458.609	3.652	50	0		JHAARM
COc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4OC)[C@H]3C2=O)cc1	ZINC000245311333	570063398	/nfs/dbraw/zinc/06/33/98/570063398.db2.gz	NRTFNFICVDMJJL-UBFVSLLYSA-N	-1	0	490.512	3.772	50	0		JHAARM
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000252347001	570080020	/nfs/dbraw/zinc/08/00/20/570080020.db2.gz	RCJVJLUYNLFGOS-JENIJYKNSA-N	-1	0	478.615	3.566	50	0		JHAARM
COc1cc2c(c3oc(=O)c(CC(=O)NC[C@H]4CC[C@H](C(=O)[O-])CC4)c(C)c13)CCC(C)(C)O2	ZINC000253387500	570095414	/nfs/dbraw/zinc/09/54/14/570095414.db2.gz	XSQZCRPCFAORAW-WKILWMFISA-N	-1	0	471.550	3.763	50	0	biogenic	JHAARM
COc1cc([C@H](CC(=O)Nc2ccc(F)cc2F)c2c([O-])cc(C)oc2=O)c(OC)c2c1OCO2	ZINC000253471397	570099248	/nfs/dbraw/zinc/09/92/48/570099248.db2.gz	QVZNLQWAFMDWJC-ZDUSSCGKSA-N	-1	0	489.427	3.839	50	0		JHAARM
COc1cc([C@@H]2c3cn(C(C)C)c4cccc(c34)NC3=C2C(=O)N(C(C)=O)C3)ccc1OCC(=O)[O-]	ZINC000263585621	570171178	/nfs/dbraw/zinc/17/11/78/570171178.db2.gz	KTUKLDXWIWAPOV-XMMPIXPASA-N	-1	0	489.528	3.894	50	0	biogenic	JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)cc2)no1	ZINC000001027631	194005126	/nfs/dbraw/zinc/00/51/26/194005126.db2.gz	DLPXPHGWIHKZNQ-UHFFFAOYSA-N	-1	0	455.945	3.855	50	0		JHAARM
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000001129146	194038063	/nfs/dbraw/zinc/03/80/63/194038063.db2.gz	ZNCIPZFCLWPFIX-MRXNPFEDSA-N	-1	0	454.552	3.981	50	0		JHAARM
Cc1sc2nc(SCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n(-c3ccccc3)c(=O)c2c1C	ZINC000001895282	194153386	/nfs/dbraw/zinc/15/33/86/194153386.db2.gz	VYXHRORDONBJHH-IBGZPJMESA-N	-1	0	493.610	3.968	50	0		JHAARM
COc1ccc(C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)[O-])c2ccc(Cl)cc2)cc1OC	ZINC000001896402	194153680	/nfs/dbraw/zinc/15/36/80/194153680.db2.gz	NXSBVCGZBRRWPU-UTKZUKDTSA-N	-1	0	465.955	3.994	50	0		JHAARM
Cc1c(-n2c(SCC(=O)[O-])nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000002633010	194162648	/nfs/dbraw/zinc/16/26/48/194162648.db2.gz	AYVZITNXOMISQW-UHFFFAOYSA-N	-1	0	455.927	3.562	50	0		JHAARM
CSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccc(Br)cc1-2	ZINC000002977675	194191671	/nfs/dbraw/zinc/19/16/71/194191671.db2.gz	DQCUDHFHVBSWKL-QGZVFWFLSA-N	-1	0	475.324	3.990	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)nc(C)n1	ZINC000003248230	194251021	/nfs/dbraw/zinc/25/10/21/194251021.db2.gz	OGRNDADGQCHHCG-UHFFFAOYSA-N	-1	0	452.323	3.848	50	0		JHAARM
CCS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1	ZINC000003250452	194251770	/nfs/dbraw/zinc/25/17/70/194251770.db2.gz	POPCVXGADSIBGX-UHFFFAOYSA-N	-1	0	499.202	3.512	50	0		JHAARM
COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1C	ZINC000003433727	194323470	/nfs/dbraw/zinc/32/34/70/194323470.db2.gz	FEPPCRHOIRKGNE-UHFFFAOYSA-N	-1	0	488.537	3.731	50	0		JHAARM
Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000004434596	194390002	/nfs/dbraw/zinc/39/00/02/194390002.db2.gz	DAHPADIGCOCADO-QGZVFWFLSA-N	-1	0	457.943	3.599	50	0		JHAARM
Cc1cc(C)n(CCCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)n1	ZINC000009116199	194536297	/nfs/dbraw/zinc/53/62/97/194536297.db2.gz	MVSCYRNXSBEEDX-UHFFFAOYSA-N	-1	0	452.989	3.836	50	0		JHAARM
O=C(NC1CCN(C(=O)c2cc(Br)cc(Br)c2[O-])CC1)c1ccccc1	ZINC000009908898	195020115	/nfs/dbraw/zinc/02/01/15/195020115.db2.gz	QEIGHYRSYAVSDP-UHFFFAOYSA-N	-1	0	482.172	3.952	50	0		JHAARM
O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000009953417	195035290	/nfs/dbraw/zinc/03/52/90/195035290.db2.gz	FNZWBFIENHYHSP-UHFFFAOYSA-N	-1	0	452.532	3.621	50	0		JHAARM
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)[O-])CCCC4)c2C)C1=O	ZINC000009933825	195025702	/nfs/dbraw/zinc/02/57/02/195025702.db2.gz	OYHUOZDJIOSKGQ-CXUHLZMHSA-N	-1	0	474.560	3.942	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)nc(C)n1	ZINC000012605231	195050641	/nfs/dbraw/zinc/05/06/41/195050641.db2.gz	RDZDPAYHQLHRKZ-NRFANRHFSA-N	-1	0	482.562	3.704	50	0		JHAARM
O=C(OCc1noc(-c2ccsc2)n1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000012605539	195050849	/nfs/dbraw/zinc/05/08/49/195050849.db2.gz	PWBKFTRRIGTMGX-UHFFFAOYSA-N	-1	0	499.526	3.727	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3cc(C)sc3C)c2)cc1	ZINC000012605783	195051520	/nfs/dbraw/zinc/05/15/20/195051520.db2.gz	XUBJPWPNAHNXNG-UHFFFAOYSA-N	-1	0	482.605	3.984	50	0		JHAARM
C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C[C@H](C)O1	ZINC000021060585	195273658	/nfs/dbraw/zinc/27/36/58/195273658.db2.gz	KJSJELKVROBGQZ-IYBDPMFKSA-N	-1	0	498.020	3.898	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1Cl	ZINC000021089223	195274071	/nfs/dbraw/zinc/27/40/71/195274071.db2.gz	YJQLLFACXBIYPW-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
Cc1c(C(=O)N2CCC(C)CC2)c(S(=O)(=O)[N-]c2ccc(-c3ccno3)cc2)c(C)n1C	ZINC000021155892	195284494	/nfs/dbraw/zinc/28/44/94/195284494.db2.gz	HIWHMUOJTBNIGA-UHFFFAOYSA-N	-1	0	456.568	3.970	50	0		JHAARM
COC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)s2)on1	ZINC000021540598	195313653	/nfs/dbraw/zinc/31/36/53/195313653.db2.gz	FEIDUYZHYKRFLW-UHFFFAOYSA-N	-1	0	458.901	3.661	50	0		JHAARM
CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1)N1CCOCC1	ZINC000016695289	519261524	/nfs/dbraw/zinc/26/15/24/519261524.db2.gz	YZILQSRTRDVWBF-UHFFFAOYSA-N	-1	0	473.620	3.543	50	0		JHAARM
CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O	ZINC000045900306	519750138	/nfs/dbraw/zinc/75/01/38/519750138.db2.gz	LNGPXVQWJPESMC-NSHDSACASA-N	-1	0	477.468	3.928	50	0		JHAARM
CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Br)cc2)CC1	ZINC000023157013	520582074	/nfs/dbraw/zinc/58/20/74/520582074.db2.gz	KROJEOLWGNBCMW-INIZCTEOSA-N	-1	0	479.400	3.932	50	0		JHAARM
CCOC(=O)C1CCN(c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2C(=O)[O-])CC1	ZINC000033253519	520585746	/nfs/dbraw/zinc/58/57/46/520585746.db2.gz	NPPSMFXGJBLIFS-UHFFFAOYSA-N	-1	0	496.969	3.627	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[n-]c1=O	ZINC000045900372	521228547	/nfs/dbraw/zinc/22/85/47/521228547.db2.gz	HXWVONAUNFCIKV-UHFFFAOYSA-N	-1	0	477.468	3.930	50	0		JHAARM
CCOC(=O)c1c([N-]S(=O)(=O)c2ccc(C)c(NS(C)(=O)=O)c2C)sc2c1CCCC2	ZINC000012413901	521413716	/nfs/dbraw/zinc/41/37/16/521413716.db2.gz	HJXZZOHWEGSUKH-UHFFFAOYSA-N	-1	0	486.637	3.593	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1C)CN(C(=O)C1(C)CC1)CC2	ZINC000014982712	521791027	/nfs/dbraw/zinc/79/10/27/521791027.db2.gz	KXVGCSDRGQZWJG-UHFFFAOYSA-N	-1	0	462.593	3.637	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1)CN(C(=O)[C@H]1C[C@@H]3C=C[C@H]1C3)CC2	ZINC000012244782	521792295	/nfs/dbraw/zinc/79/22/95/521792295.db2.gz	ODGBCFIJHHXWQY-GJYPPUQNSA-N	-1	0	486.615	3.741	50	0		JHAARM
COC(=O)c1cc(CNC(=O)[C@H]2CCOC(C)(C)C2)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012246628	521851668	/nfs/dbraw/zinc/85/16/68/521851668.db2.gz	CAUJNYLJKYXFGY-INIZCTEOSA-N	-1	0	494.997	3.749	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)cc(OC)c1	ZINC000065010773	522753775	/nfs/dbraw/zinc/75/37/75/522753775.db2.gz	DEQQNNWLSSMELL-UHFFFAOYSA-N	-1	0	488.562	3.648	50	0		JHAARM
CC[C@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c2C(=O)OC)C1	ZINC000012327213	523848162	/nfs/dbraw/zinc/84/81/62/523848162.db2.gz	ODEMQIIYOBUIPK-LBPRGKRZSA-N	-1	0	486.562	3.935	50	0		JHAARM
CN1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000022795338	523917501	/nfs/dbraw/zinc/91/75/01/523917501.db2.gz	VGAZCZAKOMOPGG-MRXNPFEDSA-N	-1	0	474.384	3.856	50	0		JHAARM
COc1ccccc1CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C(C)C)ccc3n2)CC1	ZINC000033260680	524451428	/nfs/dbraw/zinc/45/14/28/524451428.db2.gz	FFKDFMOUTDTXCZ-UHFFFAOYSA-N	-1	0	462.550	3.858	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)c(OC)c1	ZINC000033171401	524685065	/nfs/dbraw/zinc/68/50/65/524685065.db2.gz	OEFQSAAFIVHTDD-UHFFFAOYSA-N	-1	0	468.535	3.840	50	0		JHAARM
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002136791	526151088	/nfs/dbraw/zinc/15/10/88/526151088.db2.gz	PAJYZTOAWHRLFC-HXPMCKFVSA-N	-1	0	484.892	3.521	50	0	biogenic	JHAARM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2I)ccc1Cl	ZINC000016193010	526352502	/nfs/dbraw/zinc/35/25/02/526352502.db2.gz	MPKZFDKXUAJGSS-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)c1	ZINC000002913312	526391778	/nfs/dbraw/zinc/39/17/78/526391778.db2.gz	RBXUHARUTHSXFU-INIZCTEOSA-N	-1	0	476.769	3.563	50	0		JHAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCCc3ccccc3)CC2)cc1	ZINC000033274808	526556745	/nfs/dbraw/zinc/55/67/45/526556745.db2.gz	XLBLVGQFYZJOMM-UHFFFAOYSA-N	-1	0	453.564	3.873	50	0		JHAARM
O=C(/C=C/c1cccc(Br)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006141436	527624396	/nfs/dbraw/zinc/62/43/96/527624396.db2.gz	FXOIIHUGFBTCFT-BJMVGYQFSA-N	-1	0	459.325	3.692	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)nc(C)n1	ZINC000000943986	553878120	/nfs/dbraw/zinc/87/81/20/553878120.db2.gz	HRGXSJRVIQXIJW-UHFFFAOYSA-N	-1	0	460.943	3.874	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2)nc(OC)n1	ZINC000000945082	553878946	/nfs/dbraw/zinc/87/89/46/553878946.db2.gz	SEFRLGPVPMNGIM-UHFFFAOYSA-N	-1	0	483.333	3.854	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)n1	ZINC000001226776	553935981	/nfs/dbraw/zinc/93/59/81/553935981.db2.gz	LOPQQMXYHVWKSR-UHFFFAOYSA-N	-1	0	461.341	3.909	50	0		JHAARM
Cc1c(C)c2ccc(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(C)c2oc1=O	ZINC000002123767	554057350	/nfs/dbraw/zinc/05/73/50/554057350.db2.gz	BUXIXEALVOWLDD-IBGZPJMESA-N	-1	0	455.532	3.600	50	0	biogenic	JHAARM
CC[C@H](C)[C@H](NC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-]	ZINC000002152386	554070851	/nfs/dbraw/zinc/07/08/51/554070851.db2.gz	SYCBFDXELFTHCS-WNSKOXEYSA-N	-1	0	451.519	3.995	50	0	biogenic	JHAARM
Cc1c(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)sc(=S)n1C	ZINC000002236224	554107883	/nfs/dbraw/zinc/10/78/83/554107883.db2.gz	WFYBDFBQVHCYMO-UHFFFAOYSA-N	-1	0	464.598	3.976	50	0		JHAARM
Cc1cc2c(nc(C)n([N-]C(=O)c3ccc(Cn4nc(C)c(Br)c4C)o3)c2=O)s1	ZINC000002778246	554340747	/nfs/dbraw/zinc/34/07/47/554340747.db2.gz	WSJOLKINSPCQTL-UHFFFAOYSA-N	-1	0	476.356	3.676	50	0		JHAARM
CCCc1cc2c(nc(C)n([N-]C(=O)c3c(Br)c(C(F)(F)F)nn3C)c2=O)s1	ZINC000002781029	554341755	/nfs/dbraw/zinc/34/17/55/554341755.db2.gz	NSXRPKRFJMBEKG-UHFFFAOYSA-N	-1	0	478.294	3.618	50	0		JHAARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)N1CCc2ccccc21	ZINC000006093640	554505055	/nfs/dbraw/zinc/50/50/55/554505055.db2.gz	FTAKMQADEGZRHR-OAHLLOKOSA-N	-1	0	456.545	3.684	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4O)[nH]n3)cc2)n1	ZINC000008845661	554743365	/nfs/dbraw/zinc/74/33/65/554743365.db2.gz	GQKXESAMVAQTCU-UHFFFAOYSA-N	-1	0	478.534	3.551	50	0		JHAARM
CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1OC	ZINC000008868845	554762671	/nfs/dbraw/zinc/76/26/71/554762671.db2.gz	CKJCIQBSKQEUPI-OAHLLOKOSA-N	-1	0	452.301	3.811	50	0		JHAARM
O=C([O-])Cn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(Br)c3)nc21	ZINC000008925884	554822076	/nfs/dbraw/zinc/82/20/76/554822076.db2.gz	GGBAKCJHDJDWFO-UHFFFAOYSA-N	-1	0	472.324	3.557	50	0		JHAARM
O=C([O-])c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)ccc1N1CCOCC1	ZINC000008925972	554822370	/nfs/dbraw/zinc/82/23/70/554822370.db2.gz	AUUMSPLIEMMDMQ-HDLCADABSA-N	-1	0	480.520	3.618	50	0		JHAARM
O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1ccc(Cl)cc1	ZINC000009123915	554914685	/nfs/dbraw/zinc/91/46/85/554914685.db2.gz	TUSIZAYFGRZUIH-WNCULLNHSA-N	-1	0	486.959	3.861	50	0		JHAARM
Cc1ccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(F)c1	ZINC000009124877	554916518	/nfs/dbraw/zinc/91/65/18/554916518.db2.gz	DBNBIOIQSDXLEA-UHFFFAOYSA-N	-1	0	460.458	3.870	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCn2c(C)nc3ccccc32)cc1	ZINC000009219898	554988725	/nfs/dbraw/zinc/98/87/25/554988725.db2.gz	ZDNNJDRDIMRASD-UHFFFAOYSA-N	-1	0	464.547	3.584	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)NCc2ccccc2)cc1	ZINC000009223855	554994519	/nfs/dbraw/zinc/99/45/19/554994519.db2.gz	YROSMHKBVPLSHS-UHFFFAOYSA-N	-1	0	470.547	3.833	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(OC)cc2)cc1	ZINC000009283708	555055410	/nfs/dbraw/zinc/05/54/10/555055410.db2.gz	WWMYIINMTIUZRC-UHFFFAOYSA-N	-1	0	454.504	3.925	50	0		JHAARM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000009323397	555096575	/nfs/dbraw/zinc/09/65/75/555096575.db2.gz	AEYZLJFVCQFXSX-OTGIAGGSSA-N	-1	0	471.487	3.570	50	0		JHAARM
CCOc1cc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc(OCC)c1OCC	ZINC000009427773	555193188	/nfs/dbraw/zinc/19/31/88/555193188.db2.gz	FDQXQBLMBGDVMR-UHFFFAOYSA-N	-1	0	462.524	3.716	50	0		JHAARM
CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)Nc3ccc4c(c3)OCO4)ccc21	ZINC000009468021	555246516	/nfs/dbraw/zinc/24/65/16/555246516.db2.gz	GBXLOQAAOKLSQC-UHFFFAOYSA-N	-1	0	493.541	3.768	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000009490984	555267553	/nfs/dbraw/zinc/26/75/53/555267553.db2.gz	VDKFAPAIOQCYIW-UHFFFAOYSA-N	-1	0	462.549	3.614	50	0		JHAARM
COc1ccc(-c2nc(N3CCCCC3)nc3nn4c(nc(C)c(CCC(=O)[O-])c4C)c32)cc1	ZINC000009560304	555356513	/nfs/dbraw/zinc/35/65/13/555356513.db2.gz	ZOYPKUOMDUIPGI-UHFFFAOYSA-N	-1	0	460.538	3.972	50	0		JHAARM
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc(=O)oc2c1	ZINC000009565575	555364829	/nfs/dbraw/zinc/36/48/29/555364829.db2.gz	FNIWIUYXLKXXAG-UHFFFAOYSA-N	-1	0	455.517	3.540	50	0		JHAARM
O=C([O-])CCn1c(SCC(=O)NCCCSc2ccccc2)nnc1-c1cccs1	ZINC000013219339	555369946	/nfs/dbraw/zinc/36/99/46/555369946.db2.gz	ZAMUNTRBBQBHSI-UHFFFAOYSA-N	-1	0	462.622	3.872	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl	ZINC000009674714	555399829	/nfs/dbraw/zinc/39/98/29/555399829.db2.gz	SBLHIJMBXRHEFN-HZPDHXFCSA-N	-1	0	497.136	3.688	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2)c1cc(F)ccc1F	ZINC000009708668	555433563	/nfs/dbraw/zinc/43/35/63/555433563.db2.gz	IVDBHOZKNIGQQR-UHFFFAOYSA-N	-1	0	470.544	3.969	50	0		JHAARM
COC(=O)c1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1	ZINC000009818781	555522583	/nfs/dbraw/zinc/52/25/83/555522583.db2.gz	HCVGAKZXBDPUMM-UHFFFAOYSA-N	-1	0	465.940	3.565	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1	ZINC000009820239	555523304	/nfs/dbraw/zinc/52/33/04/555523304.db2.gz	PSSKNNOBLBPDBX-UHFFFAOYSA-N	-1	0	464.956	3.737	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009828496	555526042	/nfs/dbraw/zinc/52/60/42/555526042.db2.gz	LFETUROXLMQSRR-UHFFFAOYSA-N	-1	0	495.001	3.628	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000013748697	555607678	/nfs/dbraw/zinc/60/76/78/555607678.db2.gz	MGSRZZZNMSSJNF-AKFKNWHVSA-N	-1	0	488.496	3.762	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1	ZINC000013880040	555638537	/nfs/dbraw/zinc/63/85/37/555638537.db2.gz	JDILCABNRSKHNX-HNNXBMFYSA-N	-1	0	467.551	3.526	50	0		JHAARM
CCCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)cc1	ZINC000014029864	555674363	/nfs/dbraw/zinc/67/43/63/555674363.db2.gz	ZGUYOOZPVNOVQY-UHFFFAOYSA-N	-1	0	486.550	3.726	50	0		JHAARM
CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000010514202	555722173	/nfs/dbraw/zinc/72/21/73/555722173.db2.gz	AQVFALBPDRFISE-UHFFFAOYSA-N	-1	0	460.021	3.993	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(F)c1)CN(C(=O)c1ccccc1F)CC2	ZINC000020294004	555762538	/nfs/dbraw/zinc/76/25/38/555762538.db2.gz	OJVLAIRWVXMCSA-UHFFFAOYSA-N	-1	0	492.525	3.812	50	0		JHAARM
COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000014367882	555800430	/nfs/dbraw/zinc/80/04/30/555800430.db2.gz	IRTUIMQFJCOLES-JLCFBVMHSA-N	-1	0	472.494	3.802	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1	ZINC000020574778	555829472	/nfs/dbraw/zinc/82/94/72/555829472.db2.gz	LGPNQPDEJDVAPD-UHFFFAOYSA-N	-1	0	491.447	3.706	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1	ZINC000011865618	555840460	/nfs/dbraw/zinc/84/04/60/555840460.db2.gz	ZKIUZXSOQMYIAW-XMMPIXPASA-N	-1	0	498.491	3.838	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1)CN(C(=O)c1cccc(F)c1)CC2	ZINC000011912323	555861044	/nfs/dbraw/zinc/86/10/44/555861044.db2.gz	GZZYPAXGBIFQKS-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3-n3cccn3)ccc21	ZINC000015248149	555890746	/nfs/dbraw/zinc/89/07/46/555890746.db2.gz	WIPZLLPMYZPVTH-UHFFFAOYSA-N	-1	0	450.442	3.601	50	0		JHAARM
CCCOc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000012137667	555915297	/nfs/dbraw/zinc/91/52/97/555915297.db2.gz	DJECRFAUDLSLQA-UHFFFAOYSA-N	-1	0	476.605	3.860	50	0		JHAARM
COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCC3(CC2)OCCO3)c1	ZINC000022852455	555959926	/nfs/dbraw/zinc/95/99/26/555959926.db2.gz	LBJKXJRGVJDMGV-SFHVURJKSA-N	-1	0	468.535	3.693	50	0		JHAARM
CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(F)c(F)c2)CC1	ZINC000022853559	555960279	/nfs/dbraw/zinc/96/02/79/555960279.db2.gz	VRHJSZXFHPEREM-QGZVFWFLSA-N	-1	0	450.511	3.702	50	0		JHAARM
O=C([N-]S(=O)(=O)Oc1ccccc1)Nc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1	ZINC000012376799	555964650	/nfs/dbraw/zinc/96/46/50/555964650.db2.gz	XMYICIUELHATAX-UHFFFAOYSA-N	-1	0	456.377	3.747	50	0		JHAARM
CC(C)C[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000012382153	555970869	/nfs/dbraw/zinc/97/08/69/555970869.db2.gz	JGPHPGOLTQZHFB-HJDVLLJCSA-N	-1	0	459.340	3.836	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c1	ZINC000015781322	556000455	/nfs/dbraw/zinc/00/04/55/556000455.db2.gz	QUUBUUZBVBYRMT-UHFFFAOYSA-N	-1	0	488.587	3.646	50	0		JHAARM
CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Br)cc2)CC1	ZINC000023157015	556025500	/nfs/dbraw/zinc/02/55/00/556025500.db2.gz	KROJEOLWGNBCMW-MRXNPFEDSA-N	-1	0	479.400	3.932	50	0		JHAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000012552587	556036031	/nfs/dbraw/zinc/03/60/31/556036031.db2.gz	HHDPCSCSEOJYEN-CQSZACIVSA-N	-1	0	486.477	3.539	50	0		JHAARM
COc1ccccc1NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)c3ccccc3o2)c1	ZINC000012557055	556044245	/nfs/dbraw/zinc/04/42/45/556044245.db2.gz	RJHXJPBHBKSNRH-UHFFFAOYSA-N	-1	0	466.471	3.560	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000015919299	556066957	/nfs/dbraw/zinc/06/69/57/556066957.db2.gz	LXEWKVNWRYYKDL-LEWJYISDSA-N	-1	0	465.550	3.913	50	0		JHAARM
NC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1	ZINC000023666854	556082642	/nfs/dbraw/zinc/08/26/42/556082642.db2.gz	NKFWVKWAVPYGEH-MRXNPFEDSA-N	-1	0	457.943	3.697	50	0		JHAARM
O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)ccc1Cl	ZINC000023883463	556098942	/nfs/dbraw/zinc/09/89/42/556098942.db2.gz	VAWSYYSNYNPZHA-UHFFFAOYSA-N	-1	0	464.849	3.694	50	0		JHAARM
C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	ZINC000012978732	556171429	/nfs/dbraw/zinc/17/14/29/556171429.db2.gz	SBECLHNKJXJNME-XMMPIXPASA-N	-1	0	457.515	3.713	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1OC	ZINC000017053543	556214142	/nfs/dbraw/zinc/21/41/42/556214142.db2.gz	SIDVIODWKHQDHY-UHFFFAOYSA-N	-1	0	499.531	3.902	50	0		JHAARM
COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)cs1	ZINC000018263447	556317642	/nfs/dbraw/zinc/31/76/42/556317642.db2.gz	VDPIKYXLJCPYQE-UHFFFAOYSA-N	-1	0	475.548	3.565	50	0		JHAARM
CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1	ZINC000029323865	556350214	/nfs/dbraw/zinc/35/02/14/556350214.db2.gz	UZQZURHBUPJVQZ-UHFFFAOYSA-N	-1	0	463.151	3.764	50	0		JHAARM
O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1	ZINC000031807112	556405057	/nfs/dbraw/zinc/40/50/57/556405057.db2.gz	DRXGISLOCZEWCZ-XMMPIXPASA-N	-1	0	480.952	3.783	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nnc(C)o2)c(Br)c1	ZINC000032926300	556543330	/nfs/dbraw/zinc/54/33/30/556543330.db2.gz	DZLKJVCCMOJLAJ-UHFFFAOYSA-N	-1	0	466.313	3.785	50	0		JHAARM
COC(=O)c1c([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCS3)sc2c1CCCC2	ZINC000032943788	556555930	/nfs/dbraw/zinc/55/59/30/556555930.db2.gz	BRQCRQKQLJQSKU-UHFFFAOYSA-N	-1	0	466.606	3.673	50	0		JHAARM
COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)C(=O)[O-])cc1OC	ZINC000008700663	569593611	/nfs/dbraw/zinc/59/36/11/569593611.db2.gz	MOJTVXADORYNJC-DNQXCXABSA-N	-1	0	463.486	3.729	50	0		JHAARM
C[C@H](Sc1nc2cc(Cl)ccc2[nH]1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008719718	569597667	/nfs/dbraw/zinc/59/76/67/569597667.db2.gz	YJIGXHWEEINUTA-LBPRGKRZSA-N	-1	0	488.982	3.926	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000032961993	569602742	/nfs/dbraw/zinc/60/27/42/569602742.db2.gz	CTOKDTFANXCYAC-UHFFFAOYSA-N	-1	0	469.538	3.647	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)[O-]	ZINC000032971083	569603647	/nfs/dbraw/zinc/60/36/47/569603647.db2.gz	FBZOWVACADHABW-UHFFFAOYSA-N	-1	0	484.578	3.940	50	0		JHAARM
CCOc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000033006914	569615069	/nfs/dbraw/zinc/61/50/69/569615069.db2.gz	VAQLAQVVWPLXIS-UHFFFAOYSA-N	-1	0	481.574	3.911	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3CCCN(c4ncccn4)CC3)cc2C(=O)[O-])cc1C	ZINC000033007421	569615422	/nfs/dbraw/zinc/61/54/22/569615422.db2.gz	LRIHRHLEZWZKNT-UHFFFAOYSA-N	-1	0	495.605	3.618	50	0		JHAARM
CCC[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2C(=O)[O-])CC1	ZINC000063600908	569615687	/nfs/dbraw/zinc/61/56/87/569615687.db2.gz	RRSZMIOZYBOJLR-UHFFFAOYSA-N	-1	0	488.429	3.542	50	0		JHAARM
COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(F)c2)cc1	ZINC000064557677	569618307	/nfs/dbraw/zinc/61/83/07/569618307.db2.gz	VTZBTVDKZHITNR-HXUWFJFHSA-N	-1	0	467.474	3.944	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1NC(=O)c1ccc(F)cc1	ZINC000064589481	569620951	/nfs/dbraw/zinc/62/09/51/569620951.db2.gz	IYMMVDUHNOTQIG-UHFFFAOYSA-N	-1	0	494.498	3.676	50	0		JHAARM
COc1cccc(N2CCN(c3ccc(NC(=O)COc4ccccc4)c(C(=O)[O-])c3)CC2)c1	ZINC000064590322	569621514	/nfs/dbraw/zinc/62/15/14/569621514.db2.gz	MWZCLJADZUFYRU-UHFFFAOYSA-N	-1	0	461.518	3.738	50	0		JHAARM
Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1	ZINC000064590477	569621571	/nfs/dbraw/zinc/62/15/71/569621571.db2.gz	AGLUDSYVNULSAB-UHFFFAOYSA-N	-1	0	478.593	3.891	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3c(C)nn4c3NC(=O)CCC4=O)ccc2Cl)c1	ZINC000065011064	569648118	/nfs/dbraw/zinc/64/81/18/569648118.db2.gz	OAECGCSFXGCRKY-UHFFFAOYSA-N	-1	0	486.937	3.888	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4ccc(C)cc4C)c(Cl)cc32)no1	ZINC000065022497	569649128	/nfs/dbraw/zinc/64/91/28/569649128.db2.gz	FXYFXHDJYLTCKG-UHFFFAOYSA-N	-1	0	476.942	3.629	50	0		JHAARM
COCCNC(=O)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000065074597	569657126	/nfs/dbraw/zinc/65/71/26/569657126.db2.gz	AXNKXJHRICBTGP-UHFFFAOYSA-N	-1	0	467.956	3.766	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[n-]2)cc1	ZINC000034763376	569658063	/nfs/dbraw/zinc/65/80/63/569658063.db2.gz	XUBZCQJBCZBTAW-UHFFFAOYSA-N	-1	0	461.566	3.705	50	0		JHAARM
COc1ccc2nc([N-]S(=O)(=O)c3ccc4onc(C(=O)N5CCCCC5)c4c3)sc2c1	ZINC000065115235	569665435	/nfs/dbraw/zinc/66/54/35/569665435.db2.gz	GCBWPUIJEWJEDM-UHFFFAOYSA-N	-1	0	472.548	3.873	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1	ZINC000065116090	569666142	/nfs/dbraw/zinc/66/61/42/569666142.db2.gz	BKJSSSSBSJEQOY-UHFFFAOYSA-N	-1	0	457.508	3.874	50	0		JHAARM
O=C([O-])C1(CCc2ccc(Br)cc2)CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000034936186	569673559	/nfs/dbraw/zinc/67/35/59/569673559.db2.gz	DJTGGPRPMGMSQQ-UHFFFAOYSA-N	-1	0	452.370	3.937	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(OC)c(OC)c1	ZINC000035377913	569685571	/nfs/dbraw/zinc/68/55/71/569685571.db2.gz	MNLPOCZYNQYNCN-LJQANCHMSA-N	-1	0	483.550	3.729	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(C(=O)OC)cc2)[n-]c1=O	ZINC000035377995	569685599	/nfs/dbraw/zinc/68/55/99/569685599.db2.gz	VQGAZSYVFGVJEK-SFHVURJKSA-N	-1	0	495.561	3.889	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(OC)cc2)[n-]c1=O	ZINC000035378019	569685817	/nfs/dbraw/zinc/68/58/17/569685817.db2.gz	OSCBGRMGQYNOFA-ZDUSSCGKSA-N	-1	0	453.524	3.721	50	0		JHAARM
CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(Br)cc2)cc1C(=O)[O-]	ZINC000035397484	569688048	/nfs/dbraw/zinc/68/80/48/569688048.db2.gz	DRTLKIMYIVZPFN-UHFFFAOYSA-N	-1	0	456.362	3.970	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC([NH+]3CCCCC3)CC2)cc1C	ZINC000035397903	569688567	/nfs/dbraw/zinc/68/85/67/569688567.db2.gz	DGIXHJOLPFEFFG-UHFFFAOYSA-N	-1	0	472.611	3.652	50	0		JHAARM
Cc1ccc(NC(=O)CCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1Cl	ZINC000072191515	569700022	/nfs/dbraw/zinc/70/00/22/569700022.db2.gz	PLPBBIOGAOIQTQ-UHFFFAOYSA-N	-1	0	487.969	3.777	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1C	ZINC000085652065	569713860	/nfs/dbraw/zinc/71/38/60/569713860.db2.gz	KYAOPHGOEZAVAW-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1	ZINC000089453921	569718546	/nfs/dbraw/zinc/71/85/46/569718546.db2.gz	STJLKRXSLBKYBJ-UHFFFAOYSA-N	-1	0	476.457	3.570	50	0		JHAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(c3ccc(C)cc3C)CC1)cn2CCC(=O)[O-]	ZINC000036354795	569771663	/nfs/dbraw/zinc/77/16/63/569771663.db2.gz	GPECVVGSBGAIGY-VWLOTQADSA-N	-1	0	465.550	3.689	50	0		JHAARM
Cc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3cn(CCC(=O)[O-])c4cc(F)ccc34)CC2)c(C)c1	ZINC000036359732	569772441	/nfs/dbraw/zinc/77/24/41/569772441.db2.gz	IBCLAXZVAKBCQV-DEOSSOPVSA-N	-1	0	453.514	3.820	50	0		JHAARM
CSCC[C@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000036569620	569776663	/nfs/dbraw/zinc/77/66/63/569776663.db2.gz	GCPBUHWMGWTUJA-CQSZACIVSA-N	-1	0	486.040	3.594	50	0		JHAARM
O=C(Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000036831638	569780837	/nfs/dbraw/zinc/78/08/37/569780837.db2.gz	UCEASUSXZYASKM-LJQANCHMSA-N	-1	0	471.560	3.919	50	0		JHAARM
CCSc1nnc(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)s1	ZINC000037018963	569781175	/nfs/dbraw/zinc/78/11/75/569781175.db2.gz	HZBVPPZBCXFQSO-JUDLJHIGSA-N	-1	0	452.583	3.739	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl	ZINC000101387639	569795757	/nfs/dbraw/zinc/79/57/57/569795757.db2.gz	SBLHIJMBXRHEFN-JKSUJKDBSA-N	-1	0	497.136	3.688	50	0		JHAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccc(Br)cc1	ZINC000101765017	569803938	/nfs/dbraw/zinc/80/39/38/569803938.db2.gz	GSBLCBFDHODQGG-QGZVFWFLSA-N	-1	0	489.370	3.598	50	0		JHAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccc(C(C)C)cc1	ZINC000101765148	569804302	/nfs/dbraw/zinc/80/43/02/569804302.db2.gz	BXDLCQOGMMJHPW-OAQYLSRUSA-N	-1	0	460.534	3.502	50	0		JHAARM
CCC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)C[C@H]1c1ccc(Cl)cc1	ZINC000101765474	569804480	/nfs/dbraw/zinc/80/44/80/569804480.db2.gz	REZQQDQJBCAZJI-IBGZPJMESA-N	-1	0	466.925	3.589	50	0		JHAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC	ZINC000102289803	569812032	/nfs/dbraw/zinc/81/20/32/569812032.db2.gz	ZQWJAFLKDQTMJJ-KDURUIRLSA-N	-1	0	456.564	3.734	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC	ZINC000102290320	569812183	/nfs/dbraw/zinc/81/21/83/569812183.db2.gz	LANUCGSDFRKLEF-QZTJIDSGSA-N	-1	0	472.563	3.570	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(Cc2ccco2)CC1)c1cccc(Cl)c1	ZINC000040001233	569813552	/nfs/dbraw/zinc/81/35/52/569813552.db2.gz	PIDYQLWROXVVMZ-UHFFFAOYSA-N	-1	0	483.981	3.999	50	0		JHAARM
CCOc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@H]3C2=O)c1	ZINC000102767283	569823336	/nfs/dbraw/zinc/82/33/36/569823336.db2.gz	MXEXZYNIEJUBQB-XPWALMASSA-N	-1	0	458.470	3.835	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1	ZINC000040450665	569828762	/nfs/dbraw/zinc/82/87/62/569828762.db2.gz	CKTVQSVHOXQGOJ-LLVKDONJSA-N	-1	0	451.342	3.750	50	0		JHAARM
O=C1N/C(=C\c2cc(Br)c([O-])c(I)c2)C(=O)N1Cc1ccccc1	ZINC000103754967	569837795	/nfs/dbraw/zinc/83/77/95/569837795.db2.gz	ULFUZZKHLQAQFX-ZSOIEALJSA-N	-1	0	499.102	3.852	50	0		JHAARM
CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc1	ZINC000046016300	569842307	/nfs/dbraw/zinc/84/23/07/569842307.db2.gz	JCRQJSJAOKKVLG-UHFFFAOYSA-N	-1	0	497.520	3.915	50	0		JHAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)c(OC)cc2OC)CC(=O)N3)c1	ZINC000049543290	569848467	/nfs/dbraw/zinc/84/84/67/569848467.db2.gz	GAFYXKCXUIMPQM-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
O=C([O-])C[C@@H](CNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccc(Cl)cc1	ZINC000238900595	570047634	/nfs/dbraw/zinc/04/76/34/570047634.db2.gz	JRLZCKXEHAKEKI-WDSOQIARSA-N	-1	0	497.979	3.937	50	0		JHAARM
Cc1ccc([C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)C2CC2)cc1	ZINC000241644189	570053339	/nfs/dbraw/zinc/05/33/39/570053339.db2.gz	PPALMARNYLPSBB-IBGZPJMESA-N	-1	0	471.804	3.957	50	0		JHAARM
CC[C@](O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-])C(C)C	ZINC000247658459	570068685	/nfs/dbraw/zinc/06/86/85/570068685.db2.gz	QYIURQHUQVHWLF-SPPJQHKHSA-N	-1	0	482.687	3.900	50	0	biogenic	JHAARM
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O	ZINC000253405274	570097034	/nfs/dbraw/zinc/09/70/34/570097034.db2.gz	IESUSGBESYALDT-OAQYLSRUSA-N	-1	0	474.513	3.980	50	0	biogenic	JHAARM
CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000253488058	570099981	/nfs/dbraw/zinc/09/99/81/570099981.db2.gz	WEDOAJAGPMLNBD-OYSPMZIOSA-N	-1	0	478.615	3.566	50	0		JHAARM
COc1ccc([C@@H](CC(=O)NCCc2ccccc2)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263586774	570172027	/nfs/dbraw/zinc/17/20/27/570172027.db2.gz	XTKXALRKOBDPFB-LJQANCHMSA-N	-1	0	467.518	3.561	50	0	biogenic	JHAARM
COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)c1	ZINC000000996044	193999604	/nfs/dbraw/zinc/99/96/04/193999604.db2.gz	XINIBZFGCUTTNO-UHFFFAOYSA-N	-1	0	464.503	3.700	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)nc(C)n1	ZINC000001127184	194036891	/nfs/dbraw/zinc/03/68/91/194036891.db2.gz	VJDBAZFTFBWAJP-UHFFFAOYSA-N	-1	0	474.608	3.894	50	0		JHAARM
COc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1	ZINC000001778319	194138674	/nfs/dbraw/zinc/13/86/74/194138674.db2.gz	HLHGLFCLAHVOJN-UHFFFAOYSA-N	-1	0	470.551	3.701	50	0		JHAARM
CCc1ccccc1NC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001782182	194139223	/nfs/dbraw/zinc/13/92/23/194139223.db2.gz	FEGRICRXWLLHQI-FGZHOGPDSA-N	-1	0	461.470	3.723	50	0		JHAARM
Cc1oc2cc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000001749960	194134100	/nfs/dbraw/zinc/13/41/00/194134100.db2.gz	DVEGGVCIIJGHFQ-HXUWFJFHSA-N	-1	0	495.528	3.924	50	0		JHAARM
CCCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1OC	ZINC000001766778	194135264	/nfs/dbraw/zinc/13/52/64/194135264.db2.gz	ICSGTSJCMYWCHY-WUXMJOGZSA-N	-1	0	468.535	3.727	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(NC(=O)C(F)(F)F)cc1	ZINC000003117440	194228058	/nfs/dbraw/zinc/22/80/58/194228058.db2.gz	JCBQRUXXEGPPRM-UHFFFAOYSA-N	-1	0	470.454	3.697	50	0		JHAARM
COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000003348327	194294849	/nfs/dbraw/zinc/29/48/49/194294849.db2.gz	QIDJRFHDAXJTQO-UHFFFAOYSA-N	-1	0	470.503	3.528	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)n1	ZINC000003998471	194368423	/nfs/dbraw/zinc/36/84/23/194368423.db2.gz	PNCSFUWKHMZOKN-UHFFFAOYSA-N	-1	0	499.662	3.924	50	0		JHAARM
CSCC[C@@H](NC(=O)/C(=C\c1ccc(OC(C)C)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000005220735	194403723	/nfs/dbraw/zinc/40/37/23/194403723.db2.gz	PCINREHAQSFCFW-LNKKFFRNSA-N	-1	0	456.564	3.567	50	0	biogenic	JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc3c(c2)n(C)c(=O)n3C)cc1	ZINC000009858051	194998444	/nfs/dbraw/zinc/99/84/44/194998444.db2.gz	JTNXIFZZJAWXMY-UHFFFAOYSA-N	-1	0	474.546	3.673	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000009968725	195041539	/nfs/dbraw/zinc/04/15/39/195041539.db2.gz	WNAOSFPDMZUNIO-HNNXBMFYSA-N	-1	0	490.994	3.585	50	0		JHAARM
O=C1COc2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3OCC(F)(F)F)cc2N1	ZINC000012767929	195115271	/nfs/dbraw/zinc/11/52/71/195115271.db2.gz	ULTJIDIOMRKYDO-UHFFFAOYSA-N	-1	0	470.347	3.778	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)c=3c2=O)cc1	ZINC000012779070	195122908	/nfs/dbraw/zinc/12/29/08/195122908.db2.gz	KNFBOQNCFIDGFB-ARMFNRFLSA-N	-1	0	492.539	3.666	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(OC)c(OC)c1)C(=O)[O-]	ZINC000012896571	195175553	/nfs/dbraw/zinc/17/55/53/195175553.db2.gz	BCONSNMHVHWOBN-MRDSIPGCSA-N	-1	0	486.565	3.877	50	0	biogenic	JHAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3C)[n-]c2=O)cc1Cl	ZINC000020860988	195233219	/nfs/dbraw/zinc/23/32/19/195233219.db2.gz	UVDYJKMDJPUKPS-UHFFFAOYSA-N	-1	0	493.994	3.612	50	0		JHAARM
COc1cccc(CN2c3ccccc3C([O-])=C(C(=O)Nc3ccccc3OC)S2(=O)=O)c1	ZINC000057509557	195349499	/nfs/dbraw/zinc/34/94/99/195349499.db2.gz	RGPAKDWBXNFUJX-UHFFFAOYSA-N	-1	0	466.515	3.919	50	0		JHAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(OC)cc3)[C@H]2C(=O)[O-])cc1	ZINC000096318979	130064236	/nfs/dbraw/zinc/06/42/36/130064236.db2.gz	QBIOBPVFAVEUJK-YESZJQIVSA-N	-1	0	457.529	3.911	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@@H]4c4ccccc4)c=3c2=O)cc1	ZINC000102830829	130318062	/nfs/dbraw/zinc/31/80/62/130318062.db2.gz	KNFBOQNCFIDGFB-LGPLSSKUSA-N	-1	0	492.539	3.666	50	0		JHAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)cc1	ZINC000033307511	518386039	/nfs/dbraw/zinc/38/60/39/518386039.db2.gz	NMHCMNOXCLKNRK-UHFFFAOYSA-N	-1	0	472.592	3.546	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCC3)c2)c1	ZINC000033307557	518445924	/nfs/dbraw/zinc/44/59/24/518445924.db2.gz	AABWYATVTTZCTN-UHFFFAOYSA-N	-1	0	472.592	3.546	50	0		JHAARM
CC(=O)N/C(=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000008769573	519480513	/nfs/dbraw/zinc/48/05/13/519480513.db2.gz	CAFFQDYTCQFCNW-HZHRSRAPSA-N	-1	0	494.525	3.577	50	0		JHAARM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000033560260	520625094	/nfs/dbraw/zinc/62/50/94/520625094.db2.gz	LNNDPFRGEVDSIR-YBFXNURJSA-N	-1	0	470.503	3.532	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C(F)(F)F)cc2)CC1	ZINC000016690234	520962394	/nfs/dbraw/zinc/96/23/94/520962394.db2.gz	ITSOUBVPWFTBIK-INIZCTEOSA-N	-1	0	483.516	3.941	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2C(=O)[O-])C1	ZINC000033253408	521120250	/nfs/dbraw/zinc/12/02/50/521120250.db2.gz	KLFPJVKCDJHPOD-CQSZACIVSA-N	-1	0	466.943	3.619	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc(C(=O)OC)cc2)cc1	ZINC000006146245	521213367	/nfs/dbraw/zinc/21/33/67/521213367.db2.gz	ZPIIEEDHWQLPLJ-UHFFFAOYSA-N	-1	0	468.531	3.603	50	0		JHAARM
CCC(=O)Nc1ccc2nc(N3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cc(C(=O)[O-])c2c1	ZINC000033260749	521219247	/nfs/dbraw/zinc/21/92/47/521219247.db2.gz	KZVRDHDQYPKRPI-UHFFFAOYSA-N	-1	0	489.576	3.659	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000045900345	521228840	/nfs/dbraw/zinc/22/88/40/521228840.db2.gz	FAEQJJXEUCCZAD-CQSZACIVSA-N	-1	0	465.535	3.502	50	0		JHAARM
CCCc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1	ZINC000033265755	521411684	/nfs/dbraw/zinc/41/16/84/521411684.db2.gz	KFJOZVOUUWXCMU-UHFFFAOYSA-N	-1	0	479.558	3.783	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)c(F)c1)CN(C(=O)CC(C)C)CC2	ZINC000014981249	521791971	/nfs/dbraw/zinc/79/19/71/521791971.db2.gz	LNXHVFGPPMDEJO-UHFFFAOYSA-N	-1	0	472.535	3.545	50	0		JHAARM
COc1cc(Br)c(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)cc1OC	ZINC000012507976	522023792	/nfs/dbraw/zinc/02/37/92/522023792.db2.gz	AGFYQIBPJTWWDV-UHFFFAOYSA-N	-1	0	450.314	3.724	50	0		JHAARM
COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccc(C)cc4)nn3)c2C)c1	ZINC000033308148	522238708	/nfs/dbraw/zinc/23/87/08/522238708.db2.gz	NVGYUBQJMNXTIT-UHFFFAOYSA-N	-1	0	477.546	3.842	50	0		JHAARM
CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCN(CC)CC3)c([O-])n2n1	ZINC000022854444	522535280	/nfs/dbraw/zinc/53/52/80/522535280.db2.gz	MUVDNQMRRWRROY-MRXNPFEDSA-N	-1	0	450.406	3.548	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)NC(=O)CCC2=O	ZINC000033276711	522707230	/nfs/dbraw/zinc/70/72/30/522707230.db2.gz	SYEZNZWLBRPHDE-UHFFFAOYSA-N	-1	0	488.953	3.948	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(Cl)cc3)c2C)cc(OC)c1OC	ZINC000064947314	522753999	/nfs/dbraw/zinc/75/39/99/522753999.db2.gz	VYNKFSLNFRBEMV-UHFFFAOYSA-N	-1	0	451.932	3.969	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(Nc3nc(-c4cccnc4)cs3)cc2)nc(OC)n1	ZINC000001895750	522758204	/nfs/dbraw/zinc/75/82/04/522758204.db2.gz	SGIFXAHPVXJGDO-UHFFFAOYSA-N	-1	0	470.536	3.557	50	0		JHAARM
COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OCC(N)=O	ZINC000035477253	522960174	/nfs/dbraw/zinc/96/01/74/522960174.db2.gz	FOPVOCHLAPEXGY-CQSZACIVSA-N	-1	0	470.478	3.599	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1	ZINC000002146181	523226296	/nfs/dbraw/zinc/22/62/96/523226296.db2.gz	LOKUUAWJTOFCDE-CYBMUJFWSA-N	-1	0	487.969	3.871	50	0		JHAARM
COc1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012526060	523735333	/nfs/dbraw/zinc/73/53/33/523735333.db2.gz	FNNBZWCFRJAUCF-DYVFJYSZSA-N	-1	0	483.384	3.556	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)[O-])c2)cc1	ZINC000033078539	523750747	/nfs/dbraw/zinc/75/07/47/523750747.db2.gz	FDRNAGXVUZLGBQ-UHFFFAOYSA-N	-1	0	461.518	3.981	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253024	524194626	/nfs/dbraw/zinc/19/46/26/524194626.db2.gz	ITJYOMKBHCSDFS-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000089473879	524552223	/nfs/dbraw/zinc/55/22/23/524552223.db2.gz	XEGXIAQLUDOVGX-UHFFFAOYSA-N	-1	0	469.538	3.598	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2OC)N(C)C)cc1	ZINC000015690752	524644467	/nfs/dbraw/zinc/64/44/67/524644467.db2.gz	SEBBTNHFAZEYRY-QFIPXVFZSA-N	-1	0	483.590	3.537	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000012521356	524645981	/nfs/dbraw/zinc/64/59/81/524645981.db2.gz	TXRIRCIAJCUOFH-UHFFFAOYSA-N	-1	0	469.519	3.715	50	0		JHAARM
Cc1cc(Cl)c(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1OCC(=O)NC1CCCCC1	ZINC000016320078	524851014	/nfs/dbraw/zinc/85/10/14/524851014.db2.gz	HTNAGAAQUNUKJM-JOCHJYFZSA-N	-1	0	494.997	3.580	50	0		JHAARM
Cc1cc(Cl)c(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1OCC(=O)NC1CCCCC1	ZINC000016320002	524851375	/nfs/dbraw/zinc/85/13/75/524851375.db2.gz	NWOXWEZZNOXYET-UHFFFAOYSA-N	-1	0	494.997	3.999	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c(C)c1	ZINC000065022540	525298609	/nfs/dbraw/zinc/29/86/09/525298609.db2.gz	DAGCUNVELDQKAX-UHFFFAOYSA-N	-1	0	488.953	3.944	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(C(=O)[O-])c1	ZINC000033253098	525332293	/nfs/dbraw/zinc/33/22/93/525332293.db2.gz	CBSUNMHVERUTIU-UHFFFAOYSA-N	-1	0	451.548	3.821	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253049	525606825	/nfs/dbraw/zinc/60/68/25/525606825.db2.gz	HMQZCTAIMJKNJW-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
O=C([O-])[C@@H]1Sc2c(sc(=O)n2Cc2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@@H]12	ZINC000004199601	526294046	/nfs/dbraw/zinc/29/40/46/526294046.db2.gz	YFCDOHBPQXKUCG-ZMSDIMECSA-N	-1	0	459.932	3.838	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(C)c3)cn2CC(=O)N2CCCC2)n1	ZINC000033307581	526300487	/nfs/dbraw/zinc/30/04/87/526300487.db2.gz	NQDUGFFVNKUFLW-UHFFFAOYSA-N	-1	0	462.572	3.791	50	0		JHAARM
O=C([O-])[C@H](Cc1ccc(Cl)cc1)NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1	ZINC000002125122	526305738	/nfs/dbraw/zinc/30/57/38/526305738.db2.gz	KLTSICJAEVNCFY-FQEVSTJZSA-N	-1	0	455.894	3.516	50	0		JHAARM
Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c1)NC(=O)CCC2=O	ZINC000033276577	526310461	/nfs/dbraw/zinc/31/04/61/526310461.db2.gz	ZBSSLYYTSCMWNM-UHFFFAOYSA-N	-1	0	458.927	3.994	50	0		JHAARM
Cc1noc(C)c1CCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C	ZINC000021883443	526489281	/nfs/dbraw/zinc/48/92/81/526489281.db2.gz	KJFJWJVYXMLCNX-UHFFFAOYSA-N	-1	0	461.515	3.917	50	0		JHAARM
Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000021883968	527207694	/nfs/dbraw/zinc/20/76/94/527207694.db2.gz	DUSUNCQAYZZMRS-UHFFFAOYSA-N	-1	0	450.339	3.781	50	0		JHAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000000627368	553715203	/nfs/dbraw/zinc/71/52/03/553715203.db2.gz	REHYJHGSLSCELU-PMACEKPBSA-N	-1	0	453.514	3.618	50	0		JHAARM
CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc(OCC)c1OCC	ZINC000000917446	553848844	/nfs/dbraw/zinc/84/88/44/553848844.db2.gz	KAOFCGRSYOXEAE-UHFFFAOYSA-N	-1	0	486.550	3.726	50	0		JHAARM
CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000002095233	554039514	/nfs/dbraw/zinc/03/95/14/554039514.db2.gz	BJAVXQJZSFDMRW-BTYIYWSLSA-N	-1	0	462.502	3.725	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12	ZINC000002117061	554053675	/nfs/dbraw/zinc/05/36/75/554053675.db2.gz	GMVSKSLBSAPQQF-FQEVSTJZSA-N	-1	0	457.910	3.980	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3ccc(Cl)cc3)C(=O)[O-])ccc12	ZINC000002117062	554053754	/nfs/dbraw/zinc/05/37/54/554053754.db2.gz	GMVSKSLBSAPQQF-HXUWFJFHSA-N	-1	0	457.910	3.980	50	0	biogenic	JHAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4c[nH]c5ccc(O)cc45)C(=O)[O-])c(C)c3cc12	ZINC000002128789	554059318	/nfs/dbraw/zinc/05/93/18/554059318.db2.gz	VFNBXEONZOBXJI-NRFANRHFSA-N	-1	0	474.469	3.698	50	0	biogenic	JHAARM
CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)C(=O)Nc1ccc(OC)cc1	ZINC000002699268	554293890	/nfs/dbraw/zinc/29/38/90/554293890.db2.gz	KOJALLGDIUBPEQ-KRWDZBQOSA-N	-1	0	493.994	3.774	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1	ZINC000002838582	554371336	/nfs/dbraw/zinc/37/13/36/554371336.db2.gz	BLSFCTZMWUGRMM-OAHLLOKOSA-N	-1	0	467.551	3.526	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)c1	ZINC000002843765	554374594	/nfs/dbraw/zinc/37/45/94/554374594.db2.gz	BVEANRZQNMWNQL-UHFFFAOYSA-N	-1	0	472.519	3.774	50	0		JHAARM
O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O)N1CCN(Cc2ccccc2)CC1	ZINC000002971619	554414060	/nfs/dbraw/zinc/41/40/60/554414060.db2.gz	ZAFOPDMBGZFINZ-UHFFFAOYSA-N	-1	0	460.559	3.658	50	0		JHAARM
O=C(NC[C@@H]1COc2ccccc2O1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000002972127	554414119	/nfs/dbraw/zinc/41/41/19/554414119.db2.gz	NCILJMOVJBLOJN-DAWZGUTISA-N	-1	0	465.575	3.822	50	0		JHAARM
CCOCCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1	ZINC000002973626	554414543	/nfs/dbraw/zinc/41/45/43/554414543.db2.gz	AUCRPVMWMASMNJ-UHFFFAOYSA-N	-1	0	476.396	3.652	50	0		JHAARM
O=C([O-])c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2cc3ccccc3oc2=O)c1	ZINC000003019545	554423448	/nfs/dbraw/zinc/42/34/48/554423448.db2.gz	QMFWJKCHSACGCJ-APWZRJJASA-N	-1	0	497.507	3.529	50	0		JHAARM
COc1ccc(CCn2c(=O)c3cc(I)ccc3[n-]c2=S)cc1OC	ZINC000003043364	554424079	/nfs/dbraw/zinc/42/40/79/554424079.db2.gz	NDLDBKBSEWJCGE-UHFFFAOYSA-N	-1	0	468.316	3.924	50	0		JHAARM
O=C([O-])[C@@H](C(=O)Oc1ccccc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)Oc1ccccc1	ZINC000003109889	554426446	/nfs/dbraw/zinc/42/64/46/554426446.db2.gz	VWCJRAYBGYWONK-PMACEKPBSA-N	-1	0	467.861	3.807	50	0		JHAARM
O=C([O-])[C@H](C(=O)Oc1ccccc1)[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)Oc1ccccc1	ZINC000003109891	554426483	/nfs/dbraw/zinc/42/64/83/554426483.db2.gz	VWCJRAYBGYWONK-VQTJNVASSA-N	-1	0	467.861	3.807	50	0		JHAARM
Cc1ccc(CN(C)c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)o1	ZINC000003350173	554456236	/nfs/dbraw/zinc/45/62/36/554456236.db2.gz	DUWPAOBILWZRGO-UHFFFAOYSA-N	-1	0	466.519	3.740	50	0		JHAARM
Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000006146527	554510828	/nfs/dbraw/zinc/51/08/28/554510828.db2.gz	FLUDCLVXYBUIGS-UHFFFAOYSA-N	-1	0	480.521	3.677	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3C(=S)N=NC3c3ccc4ccccc4n3)cc2)n1	ZINC000006430341	554535859	/nfs/dbraw/zinc/53/58/59/554535859.db2.gz	LORLRKVJJJVFMO-UHFFFAOYSA-N	-1	0	489.586	3.979	50	0		JHAARM
COc1ccc(C[C@H](C(=O)Nc2ccc(I)cc2)[C@H](C)C(=O)[O-])cc1	ZINC000008432461	554585844	/nfs/dbraw/zinc/58/58/44/554585844.db2.gz	UNTXCKRKTHFGCQ-SJCJKPOMSA-N	-1	0	453.276	3.818	50	0		JHAARM
COc1ccc(C[C@@H](C(=O)Nc2ccc(I)cc2)[C@@H](C)C(=O)[O-])cc1	ZINC000008432460	554585876	/nfs/dbraw/zinc/58/58/76/554585876.db2.gz	UNTXCKRKTHFGCQ-SJKOYZFVSA-N	-1	0	453.276	3.818	50	0		JHAARM
C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5CCC[C@H]5C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000008762187	554661894	/nfs/dbraw/zinc/66/18/94/554661894.db2.gz	TZFHCLYNRGASPW-NDBPISKHSA-N	-1	0	482.621	3.762	50	0	biogenic	JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@H](CC(=O)[O-])c3ccc(OC)c(OC)c3)c(=O)oc2c1C	ZINC000008764919	554665348	/nfs/dbraw/zinc/66/53/48/554665348.db2.gz	HHDSTWSATQPTED-LJQANCHMSA-N	-1	0	483.517	3.700	50	0	biogenic	JHAARM
Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n1	ZINC000008826152	554715428	/nfs/dbraw/zinc/71/54/28/554715428.db2.gz	GSKYZAMUSFHZDO-UHFFFAOYSA-N	-1	0	496.574	3.725	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCCO2)cc1	ZINC000008862395	554760386	/nfs/dbraw/zinc/76/03/86/554760386.db2.gz	DYJUKEAJIUKSKY-QGZVFWFLSA-N	-1	0	469.357	3.766	50	0		JHAARM
CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(Br)c2)cc1OC	ZINC000008868847	554762681	/nfs/dbraw/zinc/76/26/81/554762681.db2.gz	CKJCIQBSKQEUPI-HNNXBMFYSA-N	-1	0	452.301	3.811	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)c1	ZINC000009128020	554923986	/nfs/dbraw/zinc/92/39/86/554923986.db2.gz	SLAJDTBTLMNXMC-UHFFFAOYSA-N	-1	0	496.541	3.671	50	0		JHAARM
O=C(c1cncc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)N1CCN(c2ccc(F)cc2)CC1	ZINC000009151985	554939541	/nfs/dbraw/zinc/93/95/41/554939541.db2.gz	ARSGUNQAVUDNCG-UHFFFAOYSA-N	-1	0	474.945	3.637	50	0		JHAARM
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2=O)c1C	ZINC000009191195	554963195	/nfs/dbraw/zinc/96/31/95/554963195.db2.gz	OSVYCFXSLPREIX-INIZCTEOSA-N	-1	0	470.576	3.552	50	0		JHAARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)cc1	ZINC000009335000	555102293	/nfs/dbraw/zinc/10/22/93/555102293.db2.gz	OONSREPKIDZNAW-UHFFFAOYSA-N	-1	0	458.518	3.710	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)NCc4ccccc4Cl)cc3[nH]c2=O)cc1	ZINC000009429632	555196877	/nfs/dbraw/zinc/19/68/77/555196877.db2.gz	YCPMMROSOHVZJL-UHFFFAOYSA-N	-1	0	482.945	3.958	50	0		JHAARM
CCOc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)c(S(=O)(=O)c1ccccc1)c2[O-]	ZINC000009429691	555197046	/nfs/dbraw/zinc/19/70/46/555197046.db2.gz	KNSACGIPKPALSC-UHFFFAOYSA-N	-1	0	464.499	3.718	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)CCNC(=O)c2ccccc2)ccc1Cl	ZINC000009492033	555271044	/nfs/dbraw/zinc/27/10/44/555271044.db2.gz	OJBRAXOYDARZKC-UHFFFAOYSA-N	-1	0	487.965	3.908	50	0		JHAARM
COc1ccc(-c2nc(C(=O)[N-]N3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cs2)cc1	ZINC000009497912	555282247	/nfs/dbraw/zinc/28/22/47/555282247.db2.gz	SNPOCXKWWJYYLB-UHFFFAOYSA-N	-1	0	484.537	3.959	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCSc4ccccc4)CC3)cc21	ZINC000009550294	555348837	/nfs/dbraw/zinc/34/88/37/555348837.db2.gz	IQRPVZWVSPGEDH-UHFFFAOYSA-N	-1	0	483.565	3.690	50	0		JHAARM
Cc1cccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2C)c1	ZINC000013347579	555377838	/nfs/dbraw/zinc/37/78/38/555377838.db2.gz	KALYJHSNJZTOOT-UHFFFAOYSA-N	-1	0	460.533	3.603	50	0		JHAARM
CCOC(=O)[C@H](C)NC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1	ZINC000013349251	555379324	/nfs/dbraw/zinc/37/93/24/555379324.db2.gz	KFNOIIMOEODIBR-AWEZNQCLSA-N	-1	0	476.580	3.787	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1	ZINC000013416646	555397236	/nfs/dbraw/zinc/39/72/36/555397236.db2.gz	VNQKZPLOBVUAEA-FQEVSTJZSA-N	-1	0	487.541	3.913	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1	ZINC000013416895	555397258	/nfs/dbraw/zinc/39/72/58/555397258.db2.gz	ACUDYCLHOUIHKU-QGZVFWFLSA-N	-1	0	456.911	3.776	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000009674487	555399801	/nfs/dbraw/zinc/39/98/01/555399801.db2.gz	MJLHVGFCASZLIV-PKTZIBPZSA-N	-1	0	455.474	3.719	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1	ZINC000009592345	555407029	/nfs/dbraw/zinc/40/70/29/555407029.db2.gz	WNAOSFPDMZUNIO-OAHLLOKOSA-N	-1	0	490.994	3.585	50	0		JHAARM
Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000009715598	555447921	/nfs/dbraw/zinc/44/79/21/555447921.db2.gz	WKURMVRDBYSKDN-UHFFFAOYSA-N	-1	0	479.518	3.714	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2=O)c1	ZINC000013576361	555515245	/nfs/dbraw/zinc/51/52/45/555515245.db2.gz	LBPJEBBRKIEHOV-MOEXGYKKSA-N	-1	0	465.314	3.997	50	0		JHAARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1	ZINC000019923713	555540223	/nfs/dbraw/zinc/54/02/23/555540223.db2.gz	LXLJYIUZMHGZAJ-PMACEKPBSA-N	-1	0	467.953	3.908	50	0		JHAARM
COc1cccc(NC(=O)CN(C)C(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1	ZINC000009836829	555541980	/nfs/dbraw/zinc/54/19/80/555541980.db2.gz	HORRJTXGKZCGST-UHFFFAOYSA-N	-1	0	497.573	3.524	50	0		JHAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1	ZINC000010060021	555611689	/nfs/dbraw/zinc/61/16/89/555611689.db2.gz	DUMKMELCYNUEOZ-UHFFFAOYSA-N	-1	0	454.504	3.843	50	0		JHAARM
CCc1cc(C(=O)OC)c(NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)s1	ZINC000020191803	555692963	/nfs/dbraw/zinc/69/29/63/555692963.db2.gz	GYOTWJQWXCZPFL-UHFFFAOYSA-N	-1	0	455.627	3.575	50	0		JHAARM
COc1ccc(F)cc1C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000010501613	555721517	/nfs/dbraw/zinc/72/15/17/555721517.db2.gz	BXHJSSCRIOTMJJ-UHFFFAOYSA-N	-1	0	461.442	3.814	50	0		JHAARM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1	ZINC000010515353	555722213	/nfs/dbraw/zinc/72/22/13/555722213.db2.gz	NTACKDUWOWXCSI-UHFFFAOYSA-N	-1	0	462.163	3.714	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(Cc4ccc(C(=O)NCc5cccnc5)cc4)c3=O)c2c1	ZINC000020331181	555776164	/nfs/dbraw/zinc/77/61/64/555776164.db2.gz	PBRBSXBDGRPLET-UHFFFAOYSA-N	-1	0	471.542	3.922	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1	ZINC000011851840	555835152	/nfs/dbraw/zinc/83/51/52/555835152.db2.gz	DQJZBFDSKVRTDN-UHFFFAOYSA-N	-1	0	460.581	3.620	50	0		JHAARM
CCOCCCNC(=O)CCCCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S	ZINC000020644786	555846504	/nfs/dbraw/zinc/84/65/04/555846504.db2.gz	LTYKBRSAUNNXNV-UHFFFAOYSA-N	-1	0	451.589	3.570	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)cc2)n1	ZINC000011915633	555866879	/nfs/dbraw/zinc/86/68/79/555866879.db2.gz	URPBYEWXFVRSFP-UHFFFAOYSA-N	-1	0	467.482	3.941	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(F)c1)CN(C(=O)c1ccccc1)CC2	ZINC000012005451	555883776	/nfs/dbraw/zinc/88/37/76/555883776.db2.gz	KJPPQEMTRIJNHH-UHFFFAOYSA-N	-1	0	474.535	3.673	50	0		JHAARM
C[C@@H](OCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1	ZINC000015372776	555901386	/nfs/dbraw/zinc/90/13/86/555901386.db2.gz	QHQBVXLYSLWBNP-QGZVFWFLSA-N	-1	0	494.573	3.555	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(F)cc2)CC1	ZINC000022852249	555959266	/nfs/dbraw/zinc/95/92/66/555959266.db2.gz	UBJGXPKQOYDHSO-QGZVFWFLSA-N	-1	0	471.514	3.759	50	0		JHAARM
[O-]c1c([C@H](c2ccccc2F)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12	ZINC000022852127	555959277	/nfs/dbraw/zinc/95/92/77/555959277.db2.gz	MIWRGSYYKFWJNS-KRWDZBQOSA-N	-1	0	456.499	3.824	50	0		JHAARM
CC(C)C[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000012382132	555970865	/nfs/dbraw/zinc/97/08/65/555970865.db2.gz	TXKDIQNJWBYHSI-BIRYMOPTSA-N	-1	0	459.340	3.836	50	0		JHAARM
COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Br)cc2)CC1	ZINC000023157017	556025534	/nfs/dbraw/zinc/02/55/34/556025534.db2.gz	HEIGZZQPDCSFLC-HNNXBMFYSA-N	-1	0	465.373	3.542	50	0		JHAARM
COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000023157920	556026132	/nfs/dbraw/zinc/02/61/32/556026132.db2.gz	JPJHLIUSXZYERR-HXUWFJFHSA-N	-1	0	453.543	3.864	50	0		JHAARM
COc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000015919241	556066657	/nfs/dbraw/zinc/06/66/57/556066657.db2.gz	AFVCZROIJVFCGB-RTWAWAEBSA-N	-1	0	481.549	3.614	50	0		JHAARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2cccc(F)c2)C1=O	ZINC000016534149	556142719	/nfs/dbraw/zinc/14/27/19/556142719.db2.gz	RFNBSEPHIJSMRG-ZDLGFXPLSA-N	-1	0	456.861	3.610	50	0		JHAARM
CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)n2CCC(=O)[O-])cc1	ZINC000012931549	556148102	/nfs/dbraw/zinc/14/81/02/556148102.db2.gz	NQNWWXCHAHBLAN-OAHLLOKOSA-N	-1	0	497.577	3.896	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCC3CC3)c2)cc1Cl	ZINC000012935712	556150796	/nfs/dbraw/zinc/15/07/96/556150796.db2.gz	RFDMRBCDBMQZEC-UHFFFAOYSA-N	-1	0	459.351	3.951	50	0		JHAARM
Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)n1	ZINC000016847726	556169593	/nfs/dbraw/zinc/16/95/93/556169593.db2.gz	VWIMRGMHJKXHEJ-UHFFFAOYSA-N	-1	0	469.505	3.650	50	0		JHAARM
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017053486	556214027	/nfs/dbraw/zinc/21/40/27/556214027.db2.gz	BWZSDWOAGAKXNR-UHFFFAOYSA-N	-1	0	487.495	3.789	50	0		JHAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000017112214	556217613	/nfs/dbraw/zinc/21/76/13/556217613.db2.gz	OQXWBQJXLRLGSS-PWRODBHTSA-N	-1	0	466.538	3.796	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)COc2ccccc2OC)ccc1C	ZINC000013071458	556269506	/nfs/dbraw/zinc/26/95/06/556269506.db2.gz	IJQNJCRTYBGFBC-UHFFFAOYSA-N	-1	0	456.520	3.831	50	0		JHAARM
COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000018707658	556323449	/nfs/dbraw/zinc/32/34/49/556323449.db2.gz	BZTRWYJDHKULPC-UHFFFAOYSA-N	-1	0	451.504	3.633	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)NCc3ccco3)ccc2C)cc1Cl	ZINC000013134879	556365005	/nfs/dbraw/zinc/36/50/05/556365005.db2.gz	YSEAIIWJBSUGQR-UHFFFAOYSA-N	-1	0	464.927	3.989	50	0		JHAARM
COc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn32)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000031500796	556398289	/nfs/dbraw/zinc/39/82/89/556398289.db2.gz	HMXZFFCFRUQHII-HXUWFJFHSA-N	-1	0	491.573	3.824	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(C(=O)[O-])cc3NC(=O)c3ccccc3)CC2)cc1	ZINC000032947013	556562277	/nfs/dbraw/zinc/56/22/77/556562277.db2.gz	UHABYQMLXGDBMZ-UHFFFAOYSA-N	-1	0	472.545	3.706	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)NCCNc2ncnc3scc(-c4ccccc4)c32)cc1	ZINC000008616665	569592285	/nfs/dbraw/zinc/59/22/85/569592285.db2.gz	RXGBKUJUQCMYJU-UHFFFAOYSA-N	-1	0	467.576	3.767	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@@H]43)C2=O)cc1	ZINC000008694602	569593327	/nfs/dbraw/zinc/59/33/27/569593327.db2.gz	XBXBRAGULDMOJL-XXBNENTESA-N	-1	0	473.451	3.898	50	0		JHAARM
CC(C)c1ccc(NC(=O)[C@@H]2CCN2C(=O)[C@@H](Cc2ccccc2)[N-]C(=O)C(F)(F)F)cc1	ZINC000057270878	569595324	/nfs/dbraw/zinc/59/53/24/569595324.db2.gz	MKKCJCRPBOPXRZ-UXHICEINSA-N	-1	0	461.484	3.639	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000032975701	569606246	/nfs/dbraw/zinc/60/62/46/569606246.db2.gz	HWMJTDLEIXLIDW-RTBURBONSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1OC	ZINC000032975702	569606316	/nfs/dbraw/zinc/60/63/16/569606316.db2.gz	ZQWJAFLKDQTMJJ-RTBURBONSA-N	-1	0	456.564	3.734	50	0		JHAARM
CS(=O)(=O)Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000059803935	569607667	/nfs/dbraw/zinc/60/76/67/569607667.db2.gz	XUHUSTBPCQQMFH-QHCPKHFHSA-N	-1	0	480.542	3.593	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)c(C(=O)[O-])c2)C1	ZINC000033007271	569615390	/nfs/dbraw/zinc/61/53/90/569615390.db2.gz	KSKWFXBDIZLUOK-KRWDZBQOSA-N	-1	0	460.552	3.582	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2c(C)noc2C)cc2sc(NC(=O)c3ccccc3)nc21	ZINC000033008011	569615763	/nfs/dbraw/zinc/61/57/63/569615763.db2.gz	KYCVLSAAYNXWHL-UHFFFAOYSA-N	-1	0	458.521	3.963	50	0		JHAARM
COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(F)c2)cc1	ZINC000064557679	569618250	/nfs/dbraw/zinc/61/82/50/569618250.db2.gz	VTZBTVDKZHITNR-FQEVSTJZSA-N	-1	0	467.474	3.944	50	0		JHAARM
CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c(=O)[n-]2)cc1	ZINC000064687512	569623822	/nfs/dbraw/zinc/62/38/22/569623822.db2.gz	HVOVWLOKUSVTHD-UHFFFAOYSA-N	-1	0	465.535	3.772	50	0		JHAARM
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2ccc(F)cc2C)[n-]c1=O	ZINC000064774474	569626430	/nfs/dbraw/zinc/62/64/30/569626430.db2.gz	ZBSQWSPQCGUZJH-UHFFFAOYSA-N	-1	0	455.515	3.998	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1Cl	ZINC000064919701	569645106	/nfs/dbraw/zinc/64/51/06/569645106.db2.gz	BKXBQKUGWJQXKT-UHFFFAOYSA-N	-1	0	458.989	3.775	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4cccc(C)c4C)c(Cl)cc32)no1	ZINC000065022475	569649074	/nfs/dbraw/zinc/64/90/74/569649074.db2.gz	KFPLZPWDPISBNM-UHFFFAOYSA-N	-1	0	476.942	3.629	50	0		JHAARM
Cc1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)c1	ZINC000065022557	569649291	/nfs/dbraw/zinc/64/92/91/569649291.db2.gz	SEDXVZWVPBGZIP-UHFFFAOYSA-N	-1	0	474.926	3.635	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)ccc1OCC(C)C	ZINC000034767263	569658711	/nfs/dbraw/zinc/65/87/11/569658711.db2.gz	SJHIWGQQHLLZDM-UHFFFAOYSA-N	-1	0	454.502	3.676	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)no1)N1CCCC1	ZINC000065097336	569661118	/nfs/dbraw/zinc/66/11/18/569661118.db2.gz	AQSAAFRTHKHKJE-UHFFFAOYSA-N	-1	0	472.470	3.854	50	0		JHAARM
CSc1cccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)sc2C)c1	ZINC000065097655	569661406	/nfs/dbraw/zinc/66/14/06/569661406.db2.gz	BLGOSHCKDBMBIO-UHFFFAOYSA-N	-1	0	464.594	3.865	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)sc1C	ZINC000065097667	569661507	/nfs/dbraw/zinc/66/15/07/569661507.db2.gz	NAPDCVNETNCZTE-UHFFFAOYSA-N	-1	0	482.971	3.805	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)c1	ZINC000065116117	569666153	/nfs/dbraw/zinc/66/61/53/569666153.db2.gz	BNWNGCOVVQIPPH-UHFFFAOYSA-N	-1	0	475.523	3.689	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)cc1OC	ZINC000035528099	569699509	/nfs/dbraw/zinc/69/95/09/569699509.db2.gz	OUJRGBUXJGEQOP-UHFFFAOYSA-N	-1	0	490.607	3.511	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(N3CCCN(c4ccc(Cl)nn4)CC3)c(C(=O)[O-])c2)cc1	ZINC000035556700	569703228	/nfs/dbraw/zinc/70/32/28/569703228.db2.gz	JDKDXPCKIQSABY-UHFFFAOYSA-N	-1	0	481.940	3.806	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1CN(c2nc3ccc(F)cc3s2)C1	ZINC000077101417	569704972	/nfs/dbraw/zinc/70/49/72/569704972.db2.gz	DKSNSCKCUXIPIZ-UHFFFAOYSA-N	-1	0	489.579	3.768	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000085652094	569714011	/nfs/dbraw/zinc/71/40/11/569714011.db2.gz	MPBJRVGWKVTYPO-UHFFFAOYSA-N	-1	0	486.937	3.967	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC(=O)N1CCCC1	ZINC000095841976	569729190	/nfs/dbraw/zinc/72/91/90/569729190.db2.gz	LJTGQYLLJOLXQN-UHFFFAOYSA-N	-1	0	496.010	3.538	50	0		JHAARM
O=C(C[C@H](c1ccco1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096113836	569732838	/nfs/dbraw/zinc/73/28/38/569732838.db2.gz	YUFMDQIVAITJQN-QGZVFWFLSA-N	-1	0	461.470	3.845	50	0	biogenic	JHAARM
CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000096113662	569732866	/nfs/dbraw/zinc/73/28/66/569732866.db2.gz	WZRGFZBZIASXGQ-PBPZHQAMSA-N	-1	0	498.576	3.774	50	0	biogenic	JHAARM
CCN(CC)C1=C(c2c(C)[n-]n(-c3ccc(F)cc3)c2=O)C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000035960807	569736620	/nfs/dbraw/zinc/73/66/20/569736620.db2.gz	SETTWVFKGYBFEX-UHFFFAOYSA-N	-1	0	466.488	3.786	50	0		JHAARM
COc1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(C(=O)[O-])c1OC	ZINC000097729950	569745812	/nfs/dbraw/zinc/74/58/12/569745812.db2.gz	SXFKMIRCEDVRHO-VULFUBBASA-N	-1	0	461.474	3.727	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(Cc3ccccn3)CC1)cn2Cc1ccccc1	ZINC000036354517	569771680	/nfs/dbraw/zinc/77/16/80/569771680.db2.gz	MLZNLEOBEQQPPU-SANMLTNESA-N	-1	0	484.556	3.726	50	0		JHAARM
CC[C@](O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-])C(C)C	ZINC000036367443	569773151	/nfs/dbraw/zinc/77/31/51/569773151.db2.gz	QYIURQHUQVHWLF-PWELHPJGSA-N	-1	0	482.687	3.900	50	0	biogenic	JHAARM
CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=S)n(-c2ccc(Br)cc2)c1=O	ZINC000100915493	569775666	/nfs/dbraw/zinc/77/56/66/569775666.db2.gz	HYXJQCPALSORCJ-GOSISDBHSA-N	-1	0	472.364	3.857	50	0		JHAARM
COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](Cc4ccccc4)C(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000036569744	569776735	/nfs/dbraw/zinc/77/67/35/569776735.db2.gz	KKVBSYFDXQBFMP-LJQANCHMSA-N	-1	0	479.529	3.568	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1C	ZINC000101109372	569783124	/nfs/dbraw/zinc/78/31/24/569783124.db2.gz	SHIYPPXFFZPOMU-QZTJIDSGSA-N	-1	0	481.310	3.609	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000101165663	569785530	/nfs/dbraw/zinc/78/55/30/569785530.db2.gz	TXKVGILEUXTYKI-HOTGVXAUSA-N	-1	0	497.136	3.688	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000101166601	569785627	/nfs/dbraw/zinc/78/56/27/569785627.db2.gz	ADCAWRFKLSXPGH-VXKWHMMOSA-N	-1	0	459.437	3.550	50	0		JHAARM
Cc1ccc(C(NCCc2c[nH]cn2)=C2C(=O)[N-]C(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1	ZINC000101382306	569795490	/nfs/dbraw/zinc/79/54/90/569795490.db2.gz	TWXTZOBNLKKLGE-FMQUCBEESA-N	-1	0	483.450	3.563	50	0		JHAARM
Cc1nc(-n2[n-]c(C)c(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2=O)sc1C	ZINC000101505309	569801162	/nfs/dbraw/zinc/80/11/62/569801162.db2.gz	SYUKHHQPNMYFGF-UHFFFAOYSA-N	-1	0	479.528	3.870	50	0		JHAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1ccc(Br)cc1	ZINC000101765013	569803995	/nfs/dbraw/zinc/80/39/95/569803995.db2.gz	GSBLCBFDHODQGG-KRWDZBQOSA-N	-1	0	489.370	3.598	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Cl)cc2)cc1OC	ZINC000101836229	569805870	/nfs/dbraw/zinc/80/58/70/569805870.db2.gz	QFBONPOJXSQTBT-QGZVFWFLSA-N	-1	0	454.870	3.789	50	0		JHAARM
C[C@H](NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000039577232	569810951	/nfs/dbraw/zinc/81/09/51/569810951.db2.gz	IGRVQKYUOYSWCX-RYUDHWBXSA-N	-1	0	459.351	3.788	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(OC)cc5OC)oc4C)c=3c2=O)cc1	ZINC000102479238	569813525	/nfs/dbraw/zinc/81/35/25/569813525.db2.gz	LDXNXSRVDVHSOH-YADHBBJMSA-N	-1	0	475.505	3.723	50	0		JHAARM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc2c(cc1Oc1ccccc1)n(C)c(=O)c(=O)n2C	ZINC000102512960	569813790	/nfs/dbraw/zinc/81/37/90/569813790.db2.gz	OWIQRLLAOWYAAW-UHFFFAOYSA-N	-1	0	485.949	3.792	50	0		JHAARM
Cc1c(Cl)cccc1N1C(=O)C[C@@H](Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1=O	ZINC000102988195	569830677	/nfs/dbraw/zinc/83/06/77/569830677.db2.gz	KNTXVQQJEJUBNH-MRXNPFEDSA-N	-1	0	476.967	3.650	50	0		JHAARM
COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)c(OC)c1	ZINC000049543341	569848468	/nfs/dbraw/zinc/84/84/68/569848468.db2.gz	HSLGWXXLZLLONH-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-])cc3)C2=O)cc1	ZINC000113471389	569861814	/nfs/dbraw/zinc/86/18/14/569861814.db2.gz	KRKTZSAUUNDBTP-ACRUOGEOSA-N	-1	0	480.542	3.725	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1	ZINC000113563960	569861953	/nfs/dbraw/zinc/86/19/53/569861953.db2.gz	JOFLTAIIGVQHCU-MVGZEHJDSA-N	-1	0	465.314	3.997	50	0		JHAARM
Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCN(c5ccccc5)C[C@H]43)C2=O)cc1	ZINC000230013090	570043631	/nfs/dbraw/zinc/04/36/31/570043631.db2.gz	FUTJVEUEUOHYOG-CUBQBAPOSA-N	-1	0	466.541	3.720	50	0		JHAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000238950805	570048392	/nfs/dbraw/zinc/04/83/92/570048392.db2.gz	ZQDILCLXKJGWQQ-AWOLDDKUSA-N	-1	0	532.643	3.847	50	0		JHAARM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](OC=O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](OC=O)[C@@]21C	ZINC000257355861	570153467	/nfs/dbraw/zinc/15/34/67/570153467.db2.gz	DAKGJCRYZHTYJF-YEMHYXQESA-N	-1	0	464.599	3.810	50	0		JHAARM
COc1ccccc1Oc1c([N-]S(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC	ZINC000000602818	193858615	/nfs/dbraw/zinc/85/86/15/193858615.db2.gz	YBWLTKFZAOSWSM-UHFFFAOYSA-N	-1	0	479.518	3.852	50	0	investigational	JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(Br)c3)cc2)c1C	ZINC000000857277	193929650	/nfs/dbraw/zinc/92/96/50/193929650.db2.gz	WUNYMDBTDJHCAW-UHFFFAOYSA-N	-1	0	480.340	3.872	50	0		JHAARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@](CCc3ccccn3)(Cc3ccc4c(c3)OCO4)C2=O)c1	ZINC000001127768	194037155	/nfs/dbraw/zinc/03/71/55/194037155.db2.gz	CBGCDGLCGFXJEC-SANMLTNESA-N	-1	0	457.486	3.563	50	0		JHAARM
COc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=O)N(Cc2ccccc2Cl)C1=O	ZINC000001131202	194039309	/nfs/dbraw/zinc/03/93/09/194039309.db2.gz	YWLSOCHLLAXBAQ-LDADJPATSA-N	-1	0	455.898	3.688	50	0		JHAARM
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000001210981	194071207	/nfs/dbraw/zinc/07/12/07/194071207.db2.gz	LALOFAYUIQWXSX-HSZRJFAPSA-N	-1	0	457.486	3.855	50	0	biogenic,in-vitro	JHAARM
CCOC(=O)c1c2c(sc1N1C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C1=O)CCCC2	ZINC000001744416	194133357	/nfs/dbraw/zinc/13/33/57/194133357.db2.gz	HDTWCJZIXOARPC-INIZCTEOSA-N	-1	0	459.545	3.926	50	0		JHAARM
CCCCOc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)nc(OC)n3)cc2)c1	ZINC000001794673	194141624	/nfs/dbraw/zinc/14/16/24/194141624.db2.gz	KAJPLGVHEIWRLQ-UHFFFAOYSA-N	-1	0	486.550	3.726	50	0		JHAARM
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000001832390	194148172	/nfs/dbraw/zinc/14/81/72/194148172.db2.gz	HDIPWEWAVZNEOT-UHFFFAOYSA-N	-1	0	474.955	3.538	50	0		JHAARM
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)sc2=N1	ZINC000001901599	194153943	/nfs/dbraw/zinc/15/39/43/194153943.db2.gz	CLMDJSODPIRAQF-JAORQVBISA-N	-1	0	496.972	3.538	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2ccccc2N2CCOCC2)c1	ZINC000003215533	194240605	/nfs/dbraw/zinc/24/06/05/194240605.db2.gz	JNAVKFINGGJEOA-UHFFFAOYSA-N	-1	0	481.574	3.893	50	0		JHAARM
CCOc1ccc(/C=C(/C(=O)[O-])c2ccc(S(=O)(=O)N3CCCCC3)s2)cc1OC	ZINC000003299908	194271919	/nfs/dbraw/zinc/27/19/19/194271919.db2.gz	GTIRFWFKZHVGMX-DTQAZKPQSA-N	-1	0	451.566	3.955	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1	ZINC000003316030	194278622	/nfs/dbraw/zinc/27/86/22/194278622.db2.gz	BSSOYWWETUNYAZ-UHFFFAOYSA-N	-1	0	454.504	3.925	50	0		JHAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1	ZINC000003348118	194294555	/nfs/dbraw/zinc/29/45/55/194294555.db2.gz	CLWKSVUQSCFVCR-UHFFFAOYSA-N	-1	0	473.558	3.952	50	0		JHAARM
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000003342999	194291282	/nfs/dbraw/zinc/29/12/82/194291282.db2.gz	AQDRRURIFXYFPY-OAHLLOKOSA-N	-1	0	472.544	3.936	50	0		JHAARM
CCCN(CC1CC1)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000003368874	194304509	/nfs/dbraw/zinc/30/45/09/194304509.db2.gz	HRDWMPILHKUWPE-UHFFFAOYSA-N	-1	0	462.543	3.740	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1	ZINC000003416843	194317249	/nfs/dbraw/zinc/31/72/49/194317249.db2.gz	SZQDTLRONOZDFI-UHFFFAOYSA-N	-1	0	482.514	3.628	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-]	ZINC000004202256	194384610	/nfs/dbraw/zinc/38/46/10/194384610.db2.gz	ZVHNNCSUTNWKFC-NRFANRHFSA-N	-1	0	452.507	3.941	50	0		JHAARM
Cc1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Br)cc2)s1	ZINC000009251770	194635054	/nfs/dbraw/zinc/63/50/54/194635054.db2.gz	FRZMNALAULARFT-UHFFFAOYSA-N	-1	0	453.343	3.662	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4cccc(Cl)c4)cc3[nH]c2=O)cc1	ZINC000009429649	194772980	/nfs/dbraw/zinc/77/29/80/194772980.db2.gz	QALLOMNQRVTHRS-UHFFFAOYSA-N	-1	0	484.917	3.981	50	0		JHAARM
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000009950785	195033570	/nfs/dbraw/zinc/03/35/70/195033570.db2.gz	FALREIUYSMPPHO-UHFFFAOYSA-N	-1	0	468.487	3.630	50	0		JHAARM
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cs1	ZINC000009953500	195035470	/nfs/dbraw/zinc/03/54/70/195035470.db2.gz	ANJVGEOEOYEFMI-UHFFFAOYSA-N	-1	0	463.606	3.704	50	0		JHAARM
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)[O-]	ZINC000012650316	195075693	/nfs/dbraw/zinc/07/56/93/195075693.db2.gz	UPXRTVAIJMUAQR-BTYIYWSLSA-N	-1	0	452.507	3.988	50	0		JHAARM
C[C@H](C(=O)[O-])n1c(SCC(=O)N(C)CCOc2ccc(Cl)cc2)nnc1-c1cccs1	ZINC000012743250	195101759	/nfs/dbraw/zinc/10/17/59/195101759.db2.gz	BPEOTWAJFANWEG-CYBMUJFWSA-N	-1	0	480.999	3.935	50	0		JHAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)C(=O)NCCCC(=O)[O-])occ3-c1ccccc1	ZINC000012889414	195172029	/nfs/dbraw/zinc/17/20/29/195172029.db2.gz	WUNFBUZNJCZDJI-INIZCTEOSA-N	-1	0	490.512	3.543	50	0	biogenic	JHAARM
CCOc1cc2[n-]c(=S)n(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2cc1OCC	ZINC000020644691	195194785	/nfs/dbraw/zinc/19/47/85/195194785.db2.gz	URFOGJMABUDNDA-UHFFFAOYSA-N	-1	0	482.606	3.595	50	0		JHAARM
COc1ccccc1Oc1c(C)oc2cc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)ccc2c1=O	ZINC000020761781	195218286	/nfs/dbraw/zinc/21/82/86/195218286.db2.gz	KSCFUJJKXOYENQ-OAQYLSRUSA-N	-1	0	455.463	3.507	50	0	biogenic	JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc3onc(C(=O)N4CCCC4)c3c2)c1	ZINC000021364244	195299929	/nfs/dbraw/zinc/29/99/29/195299929.db2.gz	IBELKTSIQRIMQO-UHFFFAOYSA-N	-1	0	459.524	3.662	50	0		JHAARM
COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)c(OC)c1OC	ZINC000061719468	195416630	/nfs/dbraw/zinc/41/66/30/195416630.db2.gz	DWRQWCVLCQQORV-OAHLLOKOSA-N	-1	0	458.417	3.954	50	0		JHAARM
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C	ZINC000096317921	130062697	/nfs/dbraw/zinc/06/26/97/130062697.db2.gz	WXDCHXASTHRBAO-ZDUSSCGKSA-N	-1	0	478.571	3.688	50	0		JHAARM
CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)Nc2ccc(C)cc2)CC1	ZINC000021882332	519913771	/nfs/dbraw/zinc/91/37/71/519913771.db2.gz	AMEPBAAXOOJZIH-UHFFFAOYSA-N	-1	0	452.555	3.583	50	0		JHAARM
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3F)s2)n1	ZINC000016806683	520546618	/nfs/dbraw/zinc/54/66/18/520546618.db2.gz	PWFBVCFPBJXVAT-UHFFFAOYSA-N	-1	0	487.991	3.849	50	0		JHAARM
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cc(Br)ccc2OCC(=O)[O-])NC(=O)N1	ZINC000016361833	520806910	/nfs/dbraw/zinc/80/69/10/520806910.db2.gz	CIRVLEHZUMJQQF-SFHVURJKSA-N	-1	0	494.729	3.833	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)c(C)c2)C1	ZINC000033253862	521120166	/nfs/dbraw/zinc/12/01/66/521120166.db2.gz	UAHOJMDDMOIZDT-GOSISDBHSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOc1ccccc1Oc1coc2cc(OCC(=O)N[C@@H](CCSC)C(=O)[O-])ccc2c1=O	ZINC000012296975	521568372	/nfs/dbraw/zinc/56/83/72/521568372.db2.gz	OBBHOFLAVJYLKS-KRWDZBQOSA-N	-1	0	487.530	3.685	50	0	biogenic	JHAARM
CCCn1nc(C)cc1CN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(OC)cc1	ZINC000033254143	521669645	/nfs/dbraw/zinc/66/96/45/521669645.db2.gz	JOXGMAKCCZRWGF-UHFFFAOYSA-N	-1	0	472.567	3.746	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)c(F)c1)CN(C(=O)/C=C/C(C)C)CC2	ZINC000014878883	521791438	/nfs/dbraw/zinc/79/14/38/521791438.db2.gz	GTOYPGKCBDZTSO-QPJJXVBHSA-N	-1	0	484.546	3.711	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1C)CN(C(=O)C(C)(C)C)CC2	ZINC000012217307	521791862	/nfs/dbraw/zinc/79/18/62/521791862.db2.gz	WEXPWLAFYZEZMI-UHFFFAOYSA-N	-1	0	464.609	3.883	50	0		JHAARM
CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc3n2C)cc1	ZINC000033277007	521795300	/nfs/dbraw/zinc/79/53/00/521795300.db2.gz	WVZAJQNGOLUTDM-UHFFFAOYSA-N	-1	0	456.474	3.679	50	0		JHAARM
COc1cc(OC)cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)C(=O)[O-])c1	ZINC000012351504	522875522	/nfs/dbraw/zinc/87/55/22/522875522.db2.gz	RXXDEUBVTXIELB-DNQXCXABSA-N	-1	0	463.486	3.729	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C	ZINC000033123174	523077085	/nfs/dbraw/zinc/07/70/85/523077085.db2.gz	PSBDBIYQBVWKQL-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)c3cc(F)ccc3N(C)C2=O)cc1	ZINC000036359493	523081219	/nfs/dbraw/zinc/08/12/19/523081219.db2.gz	OLQCDWWPICYUIA-QHCPKHFHSA-N	-1	0	452.463	3.866	50	0		JHAARM
COc1ccc(-c2cnn3c2nc(C)cc3C)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1	ZINC000033171408	523154550	/nfs/dbraw/zinc/15/45/50/523154550.db2.gz	ILGZCNGTAPJTTC-UHFFFAOYSA-N	-1	0	498.561	3.848	50	0		JHAARM
CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)ccc21	ZINC000016128675	523276876	/nfs/dbraw/zinc/27/68/76/523276876.db2.gz	IPTRGWBTXUWSHD-UHFFFAOYSA-N	-1	0	457.577	3.866	50	0		JHAARM
CCn1nc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)c2)c2c(c1=O)CCCC2	ZINC000046027742	523608794	/nfs/dbraw/zinc/60/87/94/523608794.db2.gz	RVOXLNJIURBMSI-UHFFFAOYSA-N	-1	0	483.590	3.935	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2C(=O)[O-])c1C	ZINC000033253780	523633623	/nfs/dbraw/zinc/63/36/23/523633623.db2.gz	LJTWJRSUAJHEKX-UHFFFAOYSA-N	-1	0	486.594	3.706	50	0		JHAARM
CCc1c(C)nc2ncnn2c1Sc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1	ZINC000033122283	523711998	/nfs/dbraw/zinc/71/19/98/523711998.db2.gz	YEGZLOATAYQILD-UHFFFAOYSA-N	-1	0	485.591	3.964	50	0		JHAARM
COc1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012526061	523721538	/nfs/dbraw/zinc/72/15/38/523721538.db2.gz	FNNBZWCFRJAUCF-SUMWQHHRSA-N	-1	0	483.384	3.556	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1	ZINC000033129783	524245391	/nfs/dbraw/zinc/24/53/91/524245391.db2.gz	ICSKZNYFDCJKMD-UHFFFAOYSA-N	-1	0	478.014	3.869	50	0		JHAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1	ZINC000021755886	524325914	/nfs/dbraw/zinc/32/59/14/524325914.db2.gz	YLUYPTBCDGYYSH-UHFFFAOYSA-N	-1	0	476.551	3.777	50	0		JHAARM
COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000033332934	524339101	/nfs/dbraw/zinc/33/91/01/524339101.db2.gz	NVFUKRKGVOIEJG-UNOMPAQXSA-N	-1	0	460.442	3.532	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3cc(F)ccc3C)cc2C(=O)[O-])CC1	ZINC000033253078	524564285	/nfs/dbraw/zinc/56/42/85/524564285.db2.gz	OUOHCPGZLGKINI-UHFFFAOYSA-N	-1	0	499.564	3.968	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1Cl	ZINC000006173501	524642509	/nfs/dbraw/zinc/64/25/09/524642509.db2.gz	GWRZXKLJZNUYOB-UHFFFAOYSA-N	-1	0	470.938	3.956	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)n(C)c(=O)n3C)cc1	ZINC000046009542	524992866	/nfs/dbraw/zinc/99/28/66/524992866.db2.gz	QXALLXZAAAJXPC-UHFFFAOYSA-N	-1	0	481.530	3.681	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4cc(F)ccc4F)ccc32)cc1	ZINC000016837514	525033326	/nfs/dbraw/zinc/03/33/26/525033326.db2.gz	GENJIXYVARUSSW-UHFFFAOYSA-N	-1	0	494.541	3.916	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCN(c2ccccc2F)CC1	ZINC000033253131	526353553	/nfs/dbraw/zinc/35/35/53/526353553.db2.gz	PISUSEJQKUIECR-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	ZINC000019854451	526359946	/nfs/dbraw/zinc/35/99/46/526359946.db2.gz	CWQCPBUTVTYPBP-UHFFFAOYSA-N	-1	0	457.821	3.764	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)c(C)c3)cc2)no1	ZINC000000674587	553748099	/nfs/dbraw/zinc/74/80/99/553748099.db2.gz	XZBSNOZGASNAOR-UHFFFAOYSA-N	-1	0	480.340	3.872	50	0		JHAARM
O=C([O-])c1ccccc1NC(=S)N[C@@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl	ZINC000000939602	553875758	/nfs/dbraw/zinc/87/57/58/553875758.db2.gz	QXWJJZYDFRPTLC-MRXNPFEDSA-N	-1	0	460.770	3.726	50	0		JHAARM
Cc1cc(=O)n2c(n1)sc(C(=O)Nc1cccc(C)c1C)c2C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000001791736	553990834	/nfs/dbraw/zinc/99/08/34/553990834.db2.gz	KNJYLFSBXZZPJZ-UHFFFAOYSA-N	-1	0	476.514	3.884	50	0		JHAARM
Cc1c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000002103002	554043594	/nfs/dbraw/zinc/04/35/94/554043594.db2.gz	IEHLEPKJVREKNN-VGSWGCGISA-N	-1	0	451.519	3.993	50	0	biogenic	JHAARM
Cc1cc(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])c2c(C)c(C)c(=O)oc2c1	ZINC000002114582	554052865	/nfs/dbraw/zinc/05/28/65/554052865.db2.gz	BLEVSQZIXYSZQD-SFHVURJKSA-N	-1	0	455.532	3.600	50	0	biogenic	JHAARM
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc23)cc1	ZINC000002119704	554054810	/nfs/dbraw/zinc/05/48/10/554054810.db2.gz	KAUDXAIMFIYTTL-FQEVSTJZSA-N	-1	0	453.491	3.771	50	0	biogenic	JHAARM
CSC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1)C(=O)[O-]	ZINC000002122782	554056893	/nfs/dbraw/zinc/05/68/93/554056893.db2.gz	PXCDTEPLWHGMEK-IBGZPJMESA-N	-1	0	451.500	3.990	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002135897	554062077	/nfs/dbraw/zinc/06/20/77/554062077.db2.gz	WHWMBRCCLUDFRJ-FQEVSTJZSA-N	-1	0	498.919	3.777	50	0	biogenic	JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(C)c4c(n3)CCCC4)cc2)n1	ZINC000002420730	554198192	/nfs/dbraw/zinc/19/81/92/554198192.db2.gz	XDFAIXOFWQOVOA-UHFFFAOYSA-N	-1	0	498.634	3.602	50	0		JHAARM
COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000002814566	554362200	/nfs/dbraw/zinc/36/22/00/554362200.db2.gz	AGFOUNCCDNEZOU-RQZCQDPDSA-N	-1	0	491.905	3.835	50	0		JHAARM
O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000005344827	554488630	/nfs/dbraw/zinc/48/86/30/554488630.db2.gz	CJUSTOVOZOBIJT-VMPITWQZSA-N	-1	0	450.592	3.532	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)s1	ZINC000006088682	554503381	/nfs/dbraw/zinc/50/33/81/554503381.db2.gz	SYSMVOANBVDZNG-LFYBBSHMSA-N	-1	0	491.595	3.567	50	0	in-vitro	JHAARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)N1CCc2ccccc2C1	ZINC000006144142	554510124	/nfs/dbraw/zinc/51/01/24/554510124.db2.gz	HYZADSHWHZKCJK-MRXNPFEDSA-N	-1	0	470.572	3.679	50	0		JHAARM
COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3cccc(OC)c3OC)C2)cc1OC	ZINC000008445767	554595264	/nfs/dbraw/zinc/59/52/64/554595264.db2.gz	YJCBTKZAKQRAMV-GOSISDBHSA-N	-1	0	456.495	3.654	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1	ZINC000008829964	554720112	/nfs/dbraw/zinc/72/01/12/554720112.db2.gz	SPOMNDOMLXHURU-STIKNRRDSA-N	-1	0	483.318	3.625	50	0		JHAARM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3C)s2)n1	ZINC000008868057	554761691	/nfs/dbraw/zinc/76/16/91/554761691.db2.gz	YYQZVXIWCHOTDB-UHFFFAOYSA-N	-1	0	470.001	3.628	50	0		JHAARM
O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008966102	554841887	/nfs/dbraw/zinc/84/18/87/554841887.db2.gz	GASCBHNPMVUBEM-UHFFFAOYSA-N	-1	0	474.542	3.886	50	0		JHAARM
O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000009126095	554919282	/nfs/dbraw/zinc/91/92/82/554919282.db2.gz	HOXHBKZONXZYOE-UHFFFAOYSA-N	-1	0	450.394	3.886	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3CC3)ccc2OC)cc1Br	ZINC000009130219	554929227	/nfs/dbraw/zinc/92/92/27/554929227.db2.gz	VOVPLDCSSFCDSC-UHFFFAOYSA-N	-1	0	455.330	3.616	50	0		JHAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2	ZINC000009228198	555001924	/nfs/dbraw/zinc/00/19/24/555001924.db2.gz	XRRKOPHMTCKRJK-UHFFFAOYSA-N	-1	0	477.542	3.566	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1	ZINC000009274239	555046511	/nfs/dbraw/zinc/04/65/11/555046511.db2.gz	SHVOIRRKMQLOLQ-UHFFFAOYSA-N	-1	0	451.888	3.533	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4cc(C)ccc4C)cc3[nH]c2=O)cc1	ZINC000009429682	555197042	/nfs/dbraw/zinc/19/70/42/555197042.db2.gz	WTALKZHXGBRVAZ-UHFFFAOYSA-N	-1	0	478.526	3.944	50	0		JHAARM
COc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)Nc4ccc(C)cc4)cc3[nH]c2=O)cc1	ZINC000009429677	555197043	/nfs/dbraw/zinc/19/70/43/555197043.db2.gz	MBONVBUHFSSBED-UHFFFAOYSA-N	-1	0	464.499	3.636	50	0		JHAARM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)OCCCO4)c2)c1	ZINC000009468048	555246758	/nfs/dbraw/zinc/24/67/58/555246758.db2.gz	BVIUTFYNKCUXGI-UHFFFAOYSA-N	-1	0	468.487	3.599	50	0		JHAARM
CSC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)OC1(CCCCC1)CC3)C(=O)[O-]	ZINC000009484891	555262272	/nfs/dbraw/zinc/26/22/72/555262272.db2.gz	CQKPCNRPAHBYNS-SFHVURJKSA-N	-1	0	459.564	3.604	50	0		JHAARM
O=C([O-])c1ccc2c(c1)nc(SCc1nc3ccccc3c(=O)[nH]1)n(Cc1ccccc1)c2=O	ZINC000013138440	555335525	/nfs/dbraw/zinc/33/55/25/555335525.db2.gz	DJXSKQMZYYPQQV-UHFFFAOYSA-N	-1	0	470.510	3.672	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2OC)ccc1N1CCOCC1	ZINC000009665694	555376728	/nfs/dbraw/zinc/37/67/28/555376728.db2.gz	UCXMEFOCBVQYLZ-UHFFFAOYSA-N	-1	0	497.573	3.594	50	0		JHAARM
Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)c1	ZINC000013400654	555395724	/nfs/dbraw/zinc/39/57/24/555395724.db2.gz	BYEJYWFKSFAELR-IBGZPJMESA-N	-1	0	450.520	3.739	50	0		JHAARM
Cc1ccc(-c2nnc(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])o2)cc1C	ZINC000013408840	555396852	/nfs/dbraw/zinc/39/68/52/555396852.db2.gz	VAUHUVXOFJARKF-LJQANCHMSA-N	-1	0	450.520	3.739	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cc(C)oc2C)ccc1N1CCOCC1	ZINC000009698208	555425450	/nfs/dbraw/zinc/42/54/50/555425450.db2.gz	DOIGNDBBUSBMSW-UHFFFAOYSA-N	-1	0	485.562	3.795	50	0		JHAARM
O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	ZINC000009704667	555429852	/nfs/dbraw/zinc/42/98/52/555429852.db2.gz	OQGDPQLPPGLHDT-QFIPXVFZSA-N	-1	0	489.528	3.655	50	0		JHAARM
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000009714694	555444252	/nfs/dbraw/zinc/44/42/52/555444252.db2.gz	LKLKJORZQRPDTK-UHFFFAOYSA-N	-1	0	487.584	3.753	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1	ZINC000013571798	555510244	/nfs/dbraw/zinc/51/02/44/555510244.db2.gz	QZWYRNFYMAGBNJ-ZNFPLGDCSA-N	-1	0	464.421	3.709	50	0		JHAARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1	ZINC000013579048	555517726	/nfs/dbraw/zinc/51/77/26/555517726.db2.gz	HGUAOLRXNVISFD-RTBURBONSA-N	-1	0	456.882	3.741	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2	ZINC000010210833	555646012	/nfs/dbraw/zinc/64/60/12/555646012.db2.gz	ZWZYEGUQSUQIBI-UHFFFAOYSA-N	-1	0	493.537	3.787	50	0		JHAARM
CCOc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c(=N)oc21	ZINC000020189958	555691222	/nfs/dbraw/zinc/69/12/22/555691222.db2.gz	SYWFWVSBXKQLPU-UHFFFAOYSA-N	-1	0	470.532	3.821	50	0		JHAARM
COC(=O)c1cc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc([N-]S(=O)(=O)c2cccc3cccnc32)c1	ZINC000011782227	555812438	/nfs/dbraw/zinc/81/24/38/555812438.db2.gz	RFSBTUPUUWXAOQ-GTCCEBARSA-N	-1	0	491.569	3.651	50	0		JHAARM
O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1)N1CCN(c2ncccn2)CC1	ZINC000020644048	555846166	/nfs/dbraw/zinc/84/61/66/555846166.db2.gz	BEYIFUGNLIKLAC-UHFFFAOYSA-N	-1	0	492.992	3.513	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cc(C)cc(C)c1)CN(C(=O)c1cncs1)CC2	ZINC000011912300	555860662	/nfs/dbraw/zinc/86/06/62/555860662.db2.gz	OCEMIHYUCYBSEE-UHFFFAOYSA-N	-1	0	491.616	3.607	50	0		JHAARM
COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)no2)cc1	ZINC000011915059	555865855	/nfs/dbraw/zinc/86/58/55/555865855.db2.gz	SJEVYEMVVBGGAN-UHFFFAOYSA-N	-1	0	479.518	3.810	50	0		JHAARM
COc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000015252143	555891031	/nfs/dbraw/zinc/89/10/31/555891031.db2.gz	JYVVVIYZMZYMGN-UHFFFAOYSA-N	-1	0	457.508	3.997	50	0		JHAARM
Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000015269356	555891356	/nfs/dbraw/zinc/89/13/56/555891356.db2.gz	BSGCBNNVOYMWOP-UHFFFAOYSA-N	-1	0	468.560	3.599	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc(F)cc1F	ZINC000012180420	555934674	/nfs/dbraw/zinc/93/46/74/555934674.db2.gz	LPWUZUDXWADWOV-UHFFFAOYSA-N	-1	0	464.515	3.907	50	0		JHAARM
CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341877	555953896	/nfs/dbraw/zinc/95/38/96/555953896.db2.gz	UTQIZSCVMLXLBV-GOSISDBHSA-N	-1	0	471.970	3.853	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)C2=Cc3ccccc3OC2)c1	ZINC000015709367	555954326	/nfs/dbraw/zinc/95/43/26/555954326.db2.gz	QHHALHZOQQQAKN-UHFFFAOYSA-N	-1	0	466.515	3.919	50	0		JHAARM
O=C([N-]S(=O)(=O)Oc1ccc(F)cc1F)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1	ZINC000012376961	555965025	/nfs/dbraw/zinc/96/50/25/555965025.db2.gz	CNGNGQVYIXVFJR-UHFFFAOYSA-N	-1	0	474.367	3.886	50	0		JHAARM
CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000015729182	555969660	/nfs/dbraw/zinc/96/96/60/555969660.db2.gz	VYHHILKOROCIHN-CQSZACIVSA-N	-1	0	465.535	3.833	50	0		JHAARM
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)cc1	ZINC000023119043	556012515	/nfs/dbraw/zinc/01/25/15/556012515.db2.gz	OGSRVGDRYYKNQU-UHFFFAOYSA-N	-1	0	463.968	3.549	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1SC[C@@H]1CCCO1	ZINC000012541736	556016202	/nfs/dbraw/zinc/01/62/02/556016202.db2.gz	MOEPUPREEALDGO-KRWDZBQOSA-N	-1	0	470.576	3.801	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1Br	ZINC000012548507	556026868	/nfs/dbraw/zinc/02/68/68/556026868.db2.gz	IOJCRDPMDIHVEH-UHFFFAOYSA-N	-1	0	453.358	3.885	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)COc2cccc(Cl)c2)c1	ZINC000012548634	556027166	/nfs/dbraw/zinc/02/71/66/556027166.db2.gz	YQAIGKRJECACDK-UHFFFAOYSA-N	-1	0	462.911	3.873	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nnc3n2CCC3)c1	ZINC000012561152	556053990	/nfs/dbraw/zinc/05/39/90/556053990.db2.gz	DXTNJEJWOGQNDK-UHFFFAOYSA-N	-1	0	463.357	3.853	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)ccc2Cl)cc1	ZINC000012584985	556082723	/nfs/dbraw/zinc/08/27/23/556082723.db2.gz	FFZGFLYLRFKHSK-GASCZTMLSA-N	-1	0	452.960	3.789	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)ccc2Cl)cc1	ZINC000012584979	556082745	/nfs/dbraw/zinc/08/27/45/556082745.db2.gz	FFZGFLYLRFKHSK-HUUCEWRRSA-N	-1	0	452.960	3.789	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3ccc(OC)c(OC)c3)cs2)cc1	ZINC000016848536	556169947	/nfs/dbraw/zinc/16/99/47/556169947.db2.gz	QAHWAMHTPLUULB-UHFFFAOYSA-N	-1	0	477.564	3.541	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4cccs4)ccc32)cc1	ZINC000016954501	556185646	/nfs/dbraw/zinc/18/56/46/556185646.db2.gz	BTVUKSZTRLYWQW-UHFFFAOYSA-N	-1	0	464.590	3.699	50	0		JHAARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1	ZINC000025330000	556209558	/nfs/dbraw/zinc/20/95/58/556209558.db2.gz	DSJUJHCZHHEOTL-UHFFFAOYSA-N	-1	0	453.539	3.585	50	0		JHAARM
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)c1	ZINC000017135709	556222657	/nfs/dbraw/zinc/22/26/57/556222657.db2.gz	GYCCVIOKDZLLKV-UHFFFAOYSA-N	-1	0	499.531	3.658	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000017145756	556225899	/nfs/dbraw/zinc/22/58/99/556225899.db2.gz	OTMULPYJGARLGK-XOYGFPHKSA-N	-1	0	490.581	3.620	50	0		JHAARM
O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)cc1	ZINC000028254906	556327309	/nfs/dbraw/zinc/32/73/09/556327309.db2.gz	UXHICCMREDMRGA-UHFFFAOYSA-N	-1	0	457.733	3.552	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000031818574	556407994	/nfs/dbraw/zinc/40/79/94/556407994.db2.gz	KKORHHKUHOKNLB-HSZRJFAPSA-N	-1	0	484.940	3.573	50	0		JHAARM
Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(C)s1	ZINC000032532472	556444241	/nfs/dbraw/zinc/44/42/41/556444241.db2.gz	CFWFSMKPQQFHRM-UHFFFAOYSA-N	-1	0	450.607	3.986	50	0		JHAARM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2OCC(F)(F)F)cc1	ZINC000032906693	556531512	/nfs/dbraw/zinc/53/15/12/556531512.db2.gz	SVEMAOFLFQACPX-UHFFFAOYSA-N	-1	0	477.404	3.851	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c(C)c1	ZINC000032961885	556579324	/nfs/dbraw/zinc/57/93/24/556579324.db2.gz	KTFMJJXJLDNLHA-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000032961914	556579749	/nfs/dbraw/zinc/57/97/49/556579749.db2.gz	WIVLVKNFGVGAQG-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
Cc1cccc(NC(=O)c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc2N2CCOCC2)c1	ZINC000001123861	562919790	/nfs/dbraw/zinc/91/97/90/562919790.db2.gz	ACWYHAKFRZJNKM-LEWJYISDSA-N	-1	0	463.534	3.689	50	0		JHAARM
Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1	ZINC000032999872	569613963	/nfs/dbraw/zinc/61/39/63/569613963.db2.gz	SQFWMDQOJJHCEK-UHFFFAOYSA-N	-1	0	476.605	3.563	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)c(C(=O)[O-])c2)C1	ZINC000033007269	569615413	/nfs/dbraw/zinc/61/54/13/569615413.db2.gz	KSKWFXBDIZLUOK-QGZVFWFLSA-N	-1	0	460.552	3.582	50	0		JHAARM
COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1	ZINC000064557818	569618322	/nfs/dbraw/zinc/61/83/22/569618322.db2.gz	KKHDJIVCSADPFD-OAQYLSRUSA-N	-1	0	479.510	3.813	50	0		JHAARM
CC(C)Sc1cc2c(cc1[N-]S(=O)(=O)c1ccccc1Br)n(C)c(=O)n2C	ZINC000064580877	569620718	/nfs/dbraw/zinc/62/07/18/569620718.db2.gz	IIINJZGNZGUDFP-UHFFFAOYSA-N	-1	0	470.414	3.941	50	0		JHAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccccc4F)c(C(=O)[O-])c3)CC2)c1	ZINC000064589536	569620955	/nfs/dbraw/zinc/62/09/55/569620955.db2.gz	KTKVYFZPTBVZRZ-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1	ZINC000064802109	569631840	/nfs/dbraw/zinc/63/18/40/569631840.db2.gz	XHHUFHAAQMJABU-UHFFFAOYSA-N	-1	0	469.567	3.947	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCCc3ccccc3OC)c(=O)[n-]2)cc1OC	ZINC000034766829	569658580	/nfs/dbraw/zinc/65/85/80/569658580.db2.gz	BUIGJJHEEWQDIR-UHFFFAOYSA-N	-1	0	480.565	3.732	50	0		JHAARM
CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)c(OC)c2)[n-]c1=O	ZINC000034766565	569658622	/nfs/dbraw/zinc/65/86/22/569658622.db2.gz	NZGJDUBZRDUTHH-OAHLLOKOSA-N	-1	0	454.502	3.818	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)ccc1OCc1ccccc1F	ZINC000034766417	569658632	/nfs/dbraw/zinc/65/86/32/569658632.db2.gz	ZNUTVVYGLHMOHB-UHFFFAOYSA-N	-1	0	466.513	3.916	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)cc1Cl	ZINC000065097404	569661137	/nfs/dbraw/zinc/66/11/37/569661137.db2.gz	DMXOQEYKWHQYPL-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1	ZINC000065097351	569661215	/nfs/dbraw/zinc/66/12/15/569661215.db2.gz	WZWZCJGBGCLXHV-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
O=C(c1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)o1)N1CCCC1	ZINC000065098853	569661797	/nfs/dbraw/zinc/66/17/97/569661797.db2.gz	BZYOKQKTEGNWJB-UHFFFAOYSA-N	-1	0	456.908	3.627	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000065116507	569666355	/nfs/dbraw/zinc/66/63/55/569666355.db2.gz	KDTVEWBOFGXVSL-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)cc1	ZINC000065116657	569666540	/nfs/dbraw/zinc/66/65/40/569666540.db2.gz	MWXPIYSIAOWEPP-UHFFFAOYSA-N	-1	0	474.564	3.736	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCC3)o2)sc1C	ZINC000065116612	569666600	/nfs/dbraw/zinc/66/66/00/569666600.db2.gz	ZBJKYMHCORYOJY-UHFFFAOYSA-N	-1	0	482.971	3.805	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCCC3)s2)n(C)c1	ZINC000065137534	569668403	/nfs/dbraw/zinc/66/84/03/569668403.db2.gz	WPSDIXXQFHEEKD-UHFFFAOYSA-N	-1	0	474.608	3.893	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137547	569668504	/nfs/dbraw/zinc/66/85/04/569668504.db2.gz	NNALWUJIJCJUAJ-UHFFFAOYSA-N	-1	0	495.026	3.692	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCCC3)n2)ccc1C	ZINC000065318969	569673415	/nfs/dbraw/zinc/67/34/15/569673415.db2.gz	DUJWWSCNUYNHGI-UHFFFAOYSA-N	-1	0	470.551	3.871	50	0		JHAARM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000035021136	569673671	/nfs/dbraw/zinc/67/36/71/569673671.db2.gz	CEGPCBDIHQTBLL-LSCVHKIXSA-N	-1	0	490.921	3.795	50	0		JHAARM
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1	ZINC000065603915	569676245	/nfs/dbraw/zinc/67/62/45/569676245.db2.gz	XJGPOYJWJPWLHH-UHFFFAOYSA-N	-1	0	460.027	3.928	50	0		JHAARM
CC(C)Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccccc1	ZINC000072191527	569700002	/nfs/dbraw/zinc/70/00/02/569700002.db2.gz	COSSDZPLDKZWIA-MRXNPFEDSA-N	-1	0	481.578	3.854	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2OC)c1	ZINC000089481813	569718572	/nfs/dbraw/zinc/71/85/72/569718572.db2.gz	HQABZMCFYIVVGS-UHFFFAOYSA-N	-1	0	472.519	3.774	50	0		JHAARM
CCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000096113674	569732865	/nfs/dbraw/zinc/73/28/65/569732865.db2.gz	OWEQGUMTLGFTIY-ICSRJNTNSA-N	-1	0	484.549	3.528	50	0	biogenic	JHAARM
COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)[O-])c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000096113679	569732921	/nfs/dbraw/zinc/73/29/21/569732921.db2.gz	WUAUEDCPASXHOJ-FPOVZHCZSA-N	-1	0	498.576	3.774	50	0	biogenic	JHAARM
O=C(C[C@H](c1ccc(O)cc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096113987	569733080	/nfs/dbraw/zinc/73/30/80/569733080.db2.gz	JMYBDGBGOHMNFD-HXUWFJFHSA-N	-1	0	487.508	3.958	50	0	biogenic	JHAARM
CCc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C1=C(N2CCOCC2)C(=O)N(c2ccccc2F)C1=O	ZINC000035960929	569736614	/nfs/dbraw/zinc/73/66/14/569736614.db2.gz	IYUPCXWIHKEPNL-UHFFFAOYSA-N	-1	0	490.535	3.513	50	0		JHAARM
CC(C)(C)OC(=O)N1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1	ZINC000098209757	569750737	/nfs/dbraw/zinc/75/07/37/569750737.db2.gz	HBGXFNDIESDQNB-VWLOTQADSA-N	-1	0	452.507	3.989	50	0		JHAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCC(c3nc4ccccc4o3)CC1)cn2CC(=O)[O-]	ZINC000036357952	569772074	/nfs/dbraw/zinc/77/20/74/569772074.db2.gz	IXMBKDLQOYURHN-QHCPKHFHSA-N	-1	0	463.490	3.881	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1	ZINC000100859233	569772654	/nfs/dbraw/zinc/77/26/54/569772654.db2.gz	KNFBOQNCFIDGFB-DMDYGQEQSA-N	-1	0	492.539	3.666	50	0		JHAARM
CCCCOc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)cc1	ZINC000037019041	569781199	/nfs/dbraw/zinc/78/11/99/569781199.db2.gz	SYJNMPYNKITCJK-PEZBUJJGSA-N	-1	0	454.479	3.630	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)c1	ZINC000101110843	569783194	/nfs/dbraw/zinc/78/31/94/569783194.db2.gz	KRFOLIYRPCZLPE-OALUTQOASA-N	-1	0	451.870	3.805	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000101169080	569785790	/nfs/dbraw/zinc/78/57/90/569785790.db2.gz	VBXJDNPYCLIYDI-FGZHOGPDSA-N	-1	0	477.427	3.689	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1OC	ZINC000101261199	569788224	/nfs/dbraw/zinc/78/82/24/569788224.db2.gz	DBSAAIVQVSYOJV-YADHBBJMSA-N	-1	0	490.520	3.761	50	0		JHAARM
Cc1ccc(Cc2c(C)nc3[n-]c(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)nn3c2=O)cc1	ZINC000101802870	569805310	/nfs/dbraw/zinc/80/53/10/569805310.db2.gz	AXUQHOHJXUFGBU-UHFFFAOYSA-N	-1	0	496.537	3.966	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1	ZINC000101893720	569807711	/nfs/dbraw/zinc/80/77/11/569807711.db2.gz	OTMMIIAGKOSPOF-MSOLQXFVSA-N	-1	0	481.310	3.555	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cnoc2C)c1	ZINC000040155205	569820706	/nfs/dbraw/zinc/82/07/06/569820706.db2.gz	FWKUTWWAJVPNAB-UHFFFAOYSA-N	-1	0	466.313	3.807	50	0		JHAARM
CCOc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)c1	ZINC000102767279	569823253	/nfs/dbraw/zinc/82/32/53/569823253.db2.gz	MXEXZYNIEJUBQB-RJGXRXQPSA-N	-1	0	458.470	3.835	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(Br)cc2)cc1	ZINC000102820829	569824099	/nfs/dbraw/zinc/82/40/99/569824099.db2.gz	DJAGFGLUBGIFFH-GOSISDBHSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1	ZINC000040450402	569828351	/nfs/dbraw/zinc/82/83/51/569828351.db2.gz	KKSKJCVNHUETOF-UHFFFAOYSA-N	-1	0	451.342	3.558	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)cc1	ZINC000040450624	569828739	/nfs/dbraw/zinc/82/87/39/569828739.db2.gz	WUNPEHCPJXNJNQ-LBPRGKRZSA-N	-1	0	453.358	3.946	50	0		JHAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)cc1	ZINC000040450652	569828758	/nfs/dbraw/zinc/82/87/58/569828758.db2.gz	MZGFWSJVNBYVTB-GFCCVEGCSA-N	-1	0	481.368	3.724	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1	ZINC000113481120	569861852	/nfs/dbraw/zinc/86/18/52/569861852.db2.gz	QZWYRNFYMAGBNJ-SCOAYWHSSA-N	-1	0	464.421	3.709	50	0		JHAARM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000139892671	569867408	/nfs/dbraw/zinc/86/74/08/569867408.db2.gz	YTMIKUOTNPXFGS-WMTXJRDZSA-N	-1	0	460.486	3.764	50	0		JHAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000238950807	570048385	/nfs/dbraw/zinc/04/83/85/570048385.db2.gz	ZQDILCLXKJGWQQ-PAPDKYOYSA-N	-1	0	532.643	3.847	50	0		JHAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@H]3SC2=NC(=O)SC2[C@@H]1c1ccco1	ZINC000250076454	570078984	/nfs/dbraw/zinc/07/89/84/570078984.db2.gz	FLCCNUYNBCEBCN-GVXQUZCCSA-N	-1	0	488.587	3.560	50	0		JHAARM
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000252347002	570079993	/nfs/dbraw/zinc/07/99/93/570079993.db2.gz	RCJVJLUYNLFGOS-YQVWRLOYSA-N	-1	0	478.615	3.566	50	0		JHAARM
COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000252452418	570080851	/nfs/dbraw/zinc/08/08/51/570080851.db2.gz	HNCVIIFZTOFTET-UHFFFAOYSA-N	-1	0	485.474	3.824	50	0		JHAARM
O=C([O-])CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1NS(=O)(=O)c1ccccc1	ZINC000252498305	570082267	/nfs/dbraw/zinc/08/22/67/570082267.db2.gz	QXXWMSZCVYFHKB-FQEVSTJZSA-N	-1	0	467.503	3.623	50	0		JHAARM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@](C)(C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-])C(C)C	ZINC000253388031	570095410	/nfs/dbraw/zinc/09/54/10/570095410.db2.gz	AQOHICYLWWFGDN-BCVZTWEZSA-N	-1	0	468.660	3.510	50	0	biogenic	JHAARM
COc1cc([C@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471267	570099351	/nfs/dbraw/zinc/09/93/51/570099351.db2.gz	OOYVLEPBGLYAEP-KRWDZBQOSA-N	-1	0	457.454	3.979	50	0		JHAARM
CC(C)C[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000253487880	570099966	/nfs/dbraw/zinc/09/99/66/570099966.db2.gz	SKMDVYIUSMYINZ-WSTZPKSXSA-N	-1	0	460.575	3.859	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000253488147	570099994	/nfs/dbraw/zinc/09/99/94/570099994.db2.gz	YDBSSKJJBVKTAB-LWCVALJOSA-N	-1	0	460.575	3.859	50	0		JHAARM
CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(OC(C)=O)C[C@H](OC(C)=O)CC[C@]4(C(=O)[O-])[C@@H]3CC[C@]12C	ZINC000257350014	570153082	/nfs/dbraw/zinc/15/30/82/570153082.db2.gz	UBMMRXIZAPNXIB-BITCDOOESA-N	-1	0	478.582	3.891	50	0		JHAARM
COc1ccc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1OCC(N)=O	ZINC000263585841	570171375	/nfs/dbraw/zinc/17/13/75/570171375.db2.gz	NDYLZFUNCIXFBL-QGZVFWFLSA-N	-1	0	481.888	3.590	50	0	biogenic	JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc2)no1	ZINC000001050664	194009861	/nfs/dbraw/zinc/00/98/61/194009861.db2.gz	TWDLVCXZJMHDQS-UHFFFAOYSA-N	-1	0	460.356	3.789	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc(C)n1	ZINC000001284928	194081619	/nfs/dbraw/zinc/08/16/19/194081619.db2.gz	SOJNZBMAVHIZNK-UHFFFAOYSA-N	-1	0	451.302	3.502	50	0		JHAARM
COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(C(=O)[O-])cc2)C(Cl)(Cl)Cl)cc1	ZINC000001452582	194123421	/nfs/dbraw/zinc/12/34/21/194123421.db2.gz	DVDVPVMUMHQOJL-INIZCTEOSA-N	-1	0	476.769	3.806	50	0		JHAARM
Cc1cc(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1	ZINC000002125282	194157211	/nfs/dbraw/zinc/15/72/11/194157211.db2.gz	VFTFPHPJMSJPID-LJQANCHMSA-N	-1	0	469.921	3.825	50	0	biogenic	JHAARM
Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc(=O)c2c1	ZINC000002197663	194158113	/nfs/dbraw/zinc/15/81/13/194158113.db2.gz	SYFVQIUVOIGUPR-UHFFFAOYSA-N	-1	0	455.517	3.919	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1cccc(Br)c1)NC(=O)c1ccco1	ZINC000002956609	194179795	/nfs/dbraw/zinc/17/97/95/194179795.db2.gz	ACIDMQZXZZBSFA-GDLUXTLDSA-N	-1	0	483.318	3.625	50	0		JHAARM
Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000002932330	194173705	/nfs/dbraw/zinc/17/37/05/194173705.db2.gz	UEFYNVQRHOCUAG-UHFFFAOYSA-N	-1	0	465.556	3.862	50	0		JHAARM
CCOc1ccccc1NC(=O)[C@H](CC)Sc1nc2ccsc2c(=O)n1CCC(=O)[O-]	ZINC000002932563	194173725	/nfs/dbraw/zinc/17/37/25/194173725.db2.gz	QKHGXYVKQCHFSV-INIZCTEOSA-N	-1	0	461.565	3.841	50	0		JHAARM
CSc1nnc2c(n1)O[C@@H](c1ccccc1OCC(=O)[O-])Nc1ccc(Br)cc1-2	ZINC000002978207	194192087	/nfs/dbraw/zinc/19/20/87/194192087.db2.gz	JXTZLNXZOZAJOI-KRWDZBQOSA-N	-1	0	475.324	3.990	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2cc1OCC	ZINC000003010277	194203990	/nfs/dbraw/zinc/20/39/90/194203990.db2.gz	XMEBXKKWMSUWIJ-UHFFFAOYSA-N	-1	0	485.562	3.682	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2ccccc2C1	ZINC000003340123	194289958	/nfs/dbraw/zinc/28/99/58/194289958.db2.gz	DAAZIUYKMKCUBM-UHFFFAOYSA-N	-1	0	490.990	3.944	50	0		JHAARM
O=C([O-])c1c2c(sc1NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1)CCCC2	ZINC000003629001	194343565	/nfs/dbraw/zinc/34/35/65/194343565.db2.gz	BJTFUJSTHDFOEU-UHFFFAOYSA-N	-1	0	499.496	3.930	50	0		JHAARM
O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O)N1CCN(c2ccccc2)CC1	ZINC000003630003	194344203	/nfs/dbraw/zinc/34/42/03/194344203.db2.gz	NUGPTNHELXXXSQ-UHFFFAOYSA-N	-1	0	456.571	3.696	50	0		JHAARM
CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)n1	ZINC000004001759	194368357	/nfs/dbraw/zinc/36/83/57/194368357.db2.gz	UHLRXDCERABBIX-UHFFFAOYSA-N	-1	0	467.960	3.900	50	0		JHAARM
CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)c(S(=O)(=O)c2ccc(OC)cc2)c3[O-])cc1	ZINC000009429674	194772957	/nfs/dbraw/zinc/77/29/57/194772957.db2.gz	IPZPTWVLVVHZCL-UHFFFAOYSA-N	-1	0	494.525	3.726	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1	ZINC000009596311	194795040	/nfs/dbraw/zinc/79/50/40/194795040.db2.gz	OZNZSPLDMPZYFC-CXUHLZMHSA-N	-1	0	497.548	3.745	50	0		JHAARM
O=C([O-])CSc1c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2nc2c1CCCC2	ZINC000009611669	194816626	/nfs/dbraw/zinc/81/66/26/194816626.db2.gz	VFQVHJRWFDOQOS-INIZCTEOSA-N	-1	0	464.543	3.860	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCC2)cc1Cl	ZINC000009684939	194891567	/nfs/dbraw/zinc/89/15/67/194891567.db2.gz	XLSVFLKQQGRDFB-UHFFFAOYSA-N	-1	0	469.991	3.739	50	0		JHAARM
Nc1nc(COc2ccc(C(=O)[O-])cc2Br)nc(Nc2ccc(Cl)cc2)n1	ZINC000012785554	195127382	/nfs/dbraw/zinc/12/73/82/195127382.db2.gz	GJBKBYUIPUXXEI-UHFFFAOYSA-N	-1	0	450.680	3.891	50	0		JHAARM
C[C@H](SCc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000012795658	195135744	/nfs/dbraw/zinc/13/57/44/195135744.db2.gz	FXTFKMYLKZSRAU-LBPRGKRZSA-N	-1	0	456.973	3.549	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c2=O)c1	ZINC000020860894	195233324	/nfs/dbraw/zinc/23/33/24/195233324.db2.gz	AJNWQVBAFWTIOV-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1Cl	ZINC000021089276	195274107	/nfs/dbraw/zinc/27/41/07/195274107.db2.gz	NVISYCMHQBPJQV-UHFFFAOYSA-N	-1	0	477.995	3.912	50	0		JHAARM
COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccn(Cc3cccc4cccnc43)n2)c1	ZINC000058341468	195378235	/nfs/dbraw/zinc/37/82/35/195378235.db2.gz	QUILWBWYJJWGSE-UHFFFAOYSA-N	-1	0	456.911	3.720	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1	ZINC000021931786	195335170	/nfs/dbraw/zinc/33/51/70/195335170.db2.gz	KQEGHYPXBAMOCU-UHFFFAOYSA-N	-1	0	489.351	3.856	50	0		JHAARM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2[C@H](C)CCC[C@@H]2C)cc1	ZINC000012417713	519669020	/nfs/dbraw/zinc/66/90/20/519669020.db2.gz	WFFGPQLYQCAKDY-HDICACEKSA-N	-1	0	457.596	3.569	50	0		JHAARM
CCNC(=O)c1ccc(Sc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)nc1	ZINC000033138468	519898171	/nfs/dbraw/zinc/89/81/71/519898171.db2.gz	BJRFXYYIZVYLPB-UHFFFAOYSA-N	-1	0	473.576	3.801	50	0		JHAARM
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cc(Br)ccc2OCC(=O)[O-])NC(=O)N1	ZINC000016361832	520807953	/nfs/dbraw/zinc/80/79/53/520807953.db2.gz	CIRVLEHZUMJQQF-GOSISDBHSA-N	-1	0	494.729	3.833	50	0		JHAARM
CCOc1ccc(NC(=O)CSc2nnc(-c3cc(C)ccc3NC(C)=O)c(=O)[n-]2)cc1	ZINC000021882682	521066395	/nfs/dbraw/zinc/06/63/95/521066395.db2.gz	PKPQEGLAIOWHBT-UHFFFAOYSA-N	-1	0	453.524	3.641	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn(C)c(=O)c3c2CCCC3)ccc1C	ZINC000046027456	521553081	/nfs/dbraw/zinc/55/30/81/521553081.db2.gz	RIRYGGBMCXBBCA-UHFFFAOYSA-N	-1	0	453.564	3.834	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](CC(=O)N1CCCC1)CS2	ZINC000033290390	521553201	/nfs/dbraw/zinc/55/32/01/521553201.db2.gz	DWGHQICFPBKSMW-INIZCTEOSA-N	-1	0	489.619	3.559	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(CC)nn3c2NC(=O)CCC3=O)ccc1OC	ZINC000033276755	521553973	/nfs/dbraw/zinc/55/39/73/521553973.db2.gz	YBYFVIGFQLRERV-UHFFFAOYSA-N	-1	0	498.561	3.693	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)c(F)c1)CN(C(=O)c1ccccc1)CC2	ZINC000014997720	521791914	/nfs/dbraw/zinc/79/19/14/521791914.db2.gz	IMZCVWTVZZXTRS-UHFFFAOYSA-N	-1	0	492.525	3.812	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)C1=CCCC1)CC2	ZINC000012246675	521792871	/nfs/dbraw/zinc/79/28/71/521792871.db2.gz	PJXMMAADAZLQEY-UHFFFAOYSA-N	-1	0	460.577	3.639	50	0		JHAARM
COC(=O)c1cc(CNC(=O)c2ccccc2F)cc([N-]S(=O)(=O)c2cccc3cccnc32)c1	ZINC000014996727	521855245	/nfs/dbraw/zinc/85/52/45/521855245.db2.gz	VVOKJXKXSSIZKI-UHFFFAOYSA-N	-1	0	493.516	3.891	50	0		JHAARM
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002815249	521972080	/nfs/dbraw/zinc/97/20/80/521972080.db2.gz	NDYDPTKRGKPIDZ-AXLWCPOOSA-N	-1	0	470.503	3.531	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Br)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1	ZINC000022853612	522533941	/nfs/dbraw/zinc/53/39/41/522533941.db2.gz	YMRHGATUOWMOMT-MRXNPFEDSA-N	-1	0	479.400	3.796	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c1)NC(=O)CCC2=O	ZINC000033276737	522707300	/nfs/dbraw/zinc/70/73/00/522707300.db2.gz	RTBFQOKZOIDIFY-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc(OC)c1OC	ZINC000033306426	522752327	/nfs/dbraw/zinc/75/23/27/522752327.db2.gz	BYORXAOGAONAKM-SOFGYWHQSA-N	-1	0	493.563	4.000	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1	ZINC000008916569	523844380	/nfs/dbraw/zinc/84/43/80/523844380.db2.gz	PCCNYVOXIWKAKV-JOCHJYFZSA-N	-1	0	454.504	3.583	50	0		JHAARM
COCCOC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(OCCC(=O)[O-])cc1	ZINC000040152365	523967466	/nfs/dbraw/zinc/96/74/66/523967466.db2.gz	IOZVZCBIYNAVGT-HSZRJFAPSA-N	-1	0	484.574	3.748	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)CC1	ZINC000006183608	524551532	/nfs/dbraw/zinc/55/15/32/524551532.db2.gz	LCAIYEJIEYNGGM-UHFFFAOYSA-N	-1	0	483.565	3.906	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1	ZINC000033253067	524564570	/nfs/dbraw/zinc/56/45/70/524564570.db2.gz	MZJGQRCBLWGGCM-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3NC(C)=O)c(=O)[n-]2)cc1	ZINC000044803232	524606937	/nfs/dbraw/zinc/60/69/37/524606937.db2.gz	BEQIQWRTRGLCNW-ZDUSSCGKSA-N	-1	0	453.524	3.639	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cn3ccccc3n2)ccc1N1CCCC1	ZINC000012507055	524640749	/nfs/dbraw/zinc/64/07/49/524640749.db2.gz	TUVKHBJVKPEJFB-UHFFFAOYSA-N	-1	0	491.573	3.996	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1Cl	ZINC000033255787	524685743	/nfs/dbraw/zinc/68/57/43/524685743.db2.gz	CXNBUISPDYKULT-IRXDYDNUSA-N	-1	0	492.981	3.833	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)cc1	ZINC000033170620	524687604	/nfs/dbraw/zinc/68/76/04/524687604.db2.gz	KHABWJIHKTXXDW-SDQBBNPISA-N	-1	0	457.508	3.930	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc4nsnc43)c2)c1	ZINC000033170522	524881357	/nfs/dbraw/zinc/88/13/57/524881357.db2.gz	ZJYFVDYNDGLSQC-UHFFFAOYSA-N	-1	0	470.532	3.762	50	0		JHAARM
COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1OC	ZINC000022609410	525212878	/nfs/dbraw/zinc/21/28/78/525212878.db2.gz	DLIPNTALJRCVCD-FQEVSTJZSA-N	-1	0	469.542	3.564	50	0		JHAARM
COc1cccc(COc2ccc(-c3nnc(CCC(=O)NCC(C)C)c(=O)[n-]3)cc2OC)c1	ZINC000034766713	526061763	/nfs/dbraw/zinc/06/17/63/526061763.db2.gz	UTVBOFZELMUXQI-UHFFFAOYSA-N	-1	0	466.538	3.545	50	0		JHAARM
O=C([O-])[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)CC3	ZINC000014632689	526292731	/nfs/dbraw/zinc/29/27/31/526292731.db2.gz	NHNOPJNRVODSCV-ZEQRLZLVSA-N	-1	0	468.509	3.882	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCN(c2ncccn2)CC1	ZINC000033078652	526351016	/nfs/dbraw/zinc/35/10/16/526351016.db2.gz	DQTVGXXUTCXCAG-UHFFFAOYSA-N	-1	0	482.338	3.516	50	0		JHAARM
O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)COc2ccccc2)C(Cl)(Cl)Cl)cc1	ZINC000002913314	526377848	/nfs/dbraw/zinc/37/78/48/526377848.db2.gz	AQSRCLZLGCDJCT-MRXNPFEDSA-N	-1	0	476.769	3.563	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4c(nc5ccccn5c4=O)s3)cc2)c1C	ZINC000015441469	526640904	/nfs/dbraw/zinc/64/09/04/526640904.db2.gz	UIUOVPHFHKTVDX-UHFFFAOYSA-N	-1	0	495.542	3.567	50	0		JHAARM
O=C(CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1)Nc1ccc2c(c1)OCCO2	ZINC000022704361	527036670	/nfs/dbraw/zinc/03/66/70/527036670.db2.gz	LZHJKGLBYDGDBU-MOPGFXCFSA-N	-1	0	468.531	3.794	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1Br	ZINC000000672564	553746141	/nfs/dbraw/zinc/74/61/41/553746141.db2.gz	ITKDCIBAQPHBBZ-UHFFFAOYSA-N	-1	0	491.367	3.918	50	0		JHAARM
O=C([O-])c1cccc(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000000707334	553764100	/nfs/dbraw/zinc/76/41/00/553764100.db2.gz	DSIJNOCSRDNAMU-UHFFFAOYSA-N	-1	0	467.341	3.574	50	0		JHAARM
O=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000000858380	553801327	/nfs/dbraw/zinc/80/13/27/553801327.db2.gz	GWBODPURLDBKRE-UHFFFAOYSA-N	-1	0	468.354	3.724	50	0		JHAARM
O=C([O-])c1ccccc1NC(=S)N[C@H](NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl	ZINC000000939603	553876050	/nfs/dbraw/zinc/87/60/50/553876050.db2.gz	QXWJJZYDFRPTLC-INIZCTEOSA-N	-1	0	460.770	3.726	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(OC)n1	ZINC000000945492	553879360	/nfs/dbraw/zinc/87/93/60/553879360.db2.gz	YZSYEZNELJTTJC-UHFFFAOYSA-N	-1	0	464.503	3.700	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3Br)cc2)no1	ZINC000000958622	553885071	/nfs/dbraw/zinc/88/50/71/553885071.db2.gz	DQTKSEBXDYEUEY-UHFFFAOYSA-N	-1	0	466.313	3.564	50	0		JHAARM
CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002138566	554063304	/nfs/dbraw/zinc/06/33/04/554063304.db2.gz	NHYDKYOYHCNBLD-MPBGBICISA-N	-1	0	498.919	3.775	50	0	biogenic	JHAARM
Cc1c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000002157381	554073203	/nfs/dbraw/zinc/07/32/03/554073203.db2.gz	IQVVGRBSBOLZLC-NRFANRHFSA-N	-1	0	451.519	3.995	50	0	biogenic	JHAARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(I)c2)c1	ZINC000002231459	554105317	/nfs/dbraw/zinc/10/53/17/554105317.db2.gz	OVLBBQKIRNJCII-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000002270925	554126926	/nfs/dbraw/zinc/12/69/26/554126926.db2.gz	JGPHPGOLTQZHFB-CWDSQJGSSA-N	-1	0	459.340	3.836	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)NCc1ccc(Cl)cc1	ZINC000002653337	554269353	/nfs/dbraw/zinc/26/93/53/554269353.db2.gz	SWNPNFZTQVPNJI-UHFFFAOYSA-N	-1	0	464.952	3.676	50	0		JHAARM
O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000002707046	554295807	/nfs/dbraw/zinc/29/58/07/554295807.db2.gz	DEASMXJXUAEZSZ-UHFFFAOYSA-N	-1	0	453.307	3.602	50	0		JHAARM
COc1ccc(CCn2c(=O)c3ccc(C(=O)NCc4cccnc4)cc3[n-]c2=S)cc1OC	ZINC000002971428	554414108	/nfs/dbraw/zinc/41/41/08/554414108.db2.gz	JLUFLNFMLBZBJO-UHFFFAOYSA-N	-1	0	476.558	3.644	50	0		JHAARM
O=C(c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)N1CCc2ccccc21	ZINC000003051875	554424446	/nfs/dbraw/zinc/42/44/46/554424446.db2.gz	MJJAJUHGRQSGSE-UHFFFAOYSA-N	-1	0	457.511	3.665	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000006065380	554500969	/nfs/dbraw/zinc/50/09/69/554500969.db2.gz	LHMRPJWHAILVQH-UHFFFAOYSA-N	-1	0	465.936	3.980	50	0		JHAARM
C[C@@H]1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)NC5CCCC5)CC4)cc3c(C(=O)[O-])c2C1	ZINC000006577071	554552202	/nfs/dbraw/zinc/55/22/02/554552202.db2.gz	BXPJORLCGVBPBF-MRXNPFEDSA-N	-1	0	499.633	3.517	50	0		JHAARM
O=C(NCc1ccc(F)cc1)c1cc(I)cc(I)c1[O-]	ZINC000008782164	554679416	/nfs/dbraw/zinc/67/94/16/554679416.db2.gz	QEVBYHQFBYRSIC-UHFFFAOYSA-N	-1	0	497.045	3.671	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000008815794	554697397	/nfs/dbraw/zinc/69/73/97/554697397.db2.gz	BQSVUMIXPDCYCT-BBJIBYMTSA-N	-1	0	484.530	3.839	50	0		JHAARM
CCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc(=O)c2c1	ZINC000008845874	554743977	/nfs/dbraw/zinc/74/39/77/554743977.db2.gz	FWARLSAAATXGJQ-UHFFFAOYSA-N	-1	0	478.530	3.815	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4cc(C)c(C)cc4o3)cc2)n1	ZINC000008845858	554743981	/nfs/dbraw/zinc/74/39/81/554743981.db2.gz	FTFLKLLHJIBHRT-UHFFFAOYSA-N	-1	0	464.503	3.561	50	0		JHAARM
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000008878163	554773829	/nfs/dbraw/zinc/77/38/29/554773829.db2.gz	STIUCRPIPHGCTG-UGKGYDQZSA-N	-1	0	474.579	3.576	50	0	biogenic	JHAARM
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000008878161	554773846	/nfs/dbraw/zinc/77/38/46/554773846.db2.gz	STIUCRPIPHGCTG-SIKLNZKXSA-N	-1	0	474.579	3.576	50	0	biogenic	JHAARM
O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)Nc1ccccc1Sc1ccc(Cl)cc1	ZINC000008878478	554774003	/nfs/dbraw/zinc/77/40/03/554774003.db2.gz	CPZIGJIWIUOSKA-UHFFFAOYSA-N	-1	0	473.963	3.779	50	0		JHAARM
O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000009057867	554876948	/nfs/dbraw/zinc/87/69/48/554876948.db2.gz	KPQCNYVBPMZWPX-UHFFFAOYSA-N	-1	0	485.587	3.524	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(OC(F)(F)C(F)F)c1	ZINC000009090829	554891745	/nfs/dbraw/zinc/89/17/45/554891745.db2.gz	YDEDDRFBFGNZPB-UHFFFAOYSA-N	-1	0	470.404	3.766	50	0		JHAARM
Cc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009115864	554902855	/nfs/dbraw/zinc/90/28/55/554902855.db2.gz	WLBNMXWIDGYMCE-UHFFFAOYSA-N	-1	0	480.575	3.502	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)NC2CCCCC2)ccc1N1CCOCC1	ZINC000009126568	554920490	/nfs/dbraw/zinc/92/04/90/554920490.db2.gz	VSUOXTPHPGIULE-UHFFFAOYSA-N	-1	0	488.610	3.787	50	0		JHAARM
Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)oc2c1	ZINC000009184857	554957038	/nfs/dbraw/zinc/95/70/38/554957038.db2.gz	OYBQTJDJOPEUNH-UHFFFAOYSA-N	-1	0	455.517	3.919	50	0		JHAARM
Cn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000009261496	555036303	/nfs/dbraw/zinc/03/63/03/555036303.db2.gz	LWDNPEMWGFPCJH-UHFFFAOYSA-N	-1	0	452.536	3.702	50	0		JHAARM
O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000009315894	555091074	/nfs/dbraw/zinc/09/10/74/555091074.db2.gz	XPKIFLMGABEVES-UHFFFAOYSA-N	-1	0	468.906	3.944	50	0		JHAARM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000009459276	555226866	/nfs/dbraw/zinc/22/68/66/555226866.db2.gz	VBUCAXWMOKTTLE-XJUOHMSHSA-N	-1	0	492.459	3.592	50	0		JHAARM
O=C([O-])c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1	ZINC000009495770	555280476	/nfs/dbraw/zinc/28/04/76/555280476.db2.gz	WHFJBWFABRUJOH-UHFFFAOYSA-N	-1	0	457.335	3.731	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1	ZINC000009634932	555341000	/nfs/dbraw/zinc/34/10/00/555341000.db2.gz	ADIRCRFPWSTTFQ-UHFFFAOYSA-N	-1	0	486.546	3.703	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)c2)on1	ZINC000009637818	555345623	/nfs/dbraw/zinc/34/56/23/555345623.db2.gz	LLOJNWZENYUOJE-UHFFFAOYSA-N	-1	0	466.899	3.990	50	0		JHAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2	ZINC000009569477	555367631	/nfs/dbraw/zinc/36/76/31/555367631.db2.gz	XNPLAGJOPMUHGF-UHFFFAOYSA-N	-1	0	472.588	3.946	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ncnc2sc3c(c21)CCC3	ZINC000013416272	555397270	/nfs/dbraw/zinc/39/72/70/555397270.db2.gz	UUBGLRFQXIPJLW-INIZCTEOSA-N	-1	0	452.561	3.566	50	0		JHAARM
O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000009592328	555406759	/nfs/dbraw/zinc/40/67/59/555406759.db2.gz	FXVKEBWHYDAVAN-UHFFFAOYSA-N	-1	0	461.550	3.627	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(OC)c([N-]S(=O)(=O)c3cccc(C)c3)c2)cc1	ZINC000009613498	555449610	/nfs/dbraw/zinc/44/96/10/555449610.db2.gz	GERMLSJONBEQQU-UHFFFAOYSA-N	-1	0	462.549	3.614	50	0		JHAARM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2I)c1	ZINC000009762838	555487990	/nfs/dbraw/zinc/48/79/90/555487990.db2.gz	YBLHSFNYIUDJNF-UHFFFAOYSA-N	-1	0	460.680	3.770	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1	ZINC000013576453	555515577	/nfs/dbraw/zinc/51/55/77/555515577.db2.gz	TUJBIJVRVBKYNW-MOEXGYKKSA-N	-1	0	465.314	3.997	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1	ZINC000009828656	555526563	/nfs/dbraw/zinc/52/65/63/555526563.db2.gz	XSRJGCUWNFFBKL-UHFFFAOYSA-N	-1	0	455.920	3.926	50	0		JHAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1)OC1(CCCCC1)CC3	ZINC000013624874	555538740	/nfs/dbraw/zinc/53/87/40/555538740.db2.gz	XVUGNEPFFVURAO-SFHVURJKSA-N	-1	0	453.535	3.995	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000009835989	555541034	/nfs/dbraw/zinc/54/10/34/555541034.db2.gz	CRFLPKDXODINNQ-DNQXCXABSA-N	-1	0	485.500	3.810	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000013692551	555587408	/nfs/dbraw/zinc/58/74/08/555587408.db2.gz	RAVIAJLSSCJYAY-UHFFFAOYSA-N	-1	0	467.528	3.756	50	0		JHAARM
Cc1cccc(C)c1NC(=O)CSc1ncc(S(=O)(=O)c2cccc(Cl)c2)c(=O)[n-]1	ZINC000010272757	555666957	/nfs/dbraw/zinc/66/69/57/555666957.db2.gz	DNTGERRNBWHBED-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
CCCn1c(=O)cc([O-])nc1SCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2	ZINC000014093766	555686128	/nfs/dbraw/zinc/68/61/28/555686128.db2.gz	UIOOQWFDIKPOKZ-UHFFFAOYSA-N	-1	0	465.597	3.595	50	0		JHAARM
Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1	ZINC000010386493	555704750	/nfs/dbraw/zinc/70/47/50/555704750.db2.gz	KEDLKKKIAVPBAV-IBGZPJMESA-N	-1	0	466.559	3.629	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1	ZINC000010433700	555708033	/nfs/dbraw/zinc/70/80/33/555708033.db2.gz	ATADBFTYNQRMPW-UHFFFAOYSA-N	-1	0	483.493	3.661	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(Cl)c3)[n-]c2=O)c1	ZINC000010433715	555708047	/nfs/dbraw/zinc/70/80/47/555708047.db2.gz	RWCILVJNHNEGCY-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C2CC2)c1	ZINC000010657293	555730816	/nfs/dbraw/zinc/73/08/16/555730816.db2.gz	GFMFFVMFTHNAQK-UHFFFAOYSA-N	-1	0	464.345	3.637	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3Cl)[n-]c2=O)c1	ZINC000020355859	555784807	/nfs/dbraw/zinc/78/48/07/555784807.db2.gz	GZJKDQXOOXARJK-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(C)c3cc12	ZINC000011865647	555840464	/nfs/dbraw/zinc/84/04/64/555840464.db2.gz	BJTZZEBZJSIVGA-OAQYLSRUSA-N	-1	0	458.470	3.992	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1C	ZINC000011867581	555844909	/nfs/dbraw/zinc/84/49/09/555844909.db2.gz	DRPDQJXWWGSWPA-HXUWFJFHSA-N	-1	0	469.559	3.854	50	0		JHAARM
O=C(c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O)N1CCN(c2ccccn2)CC1	ZINC000020645575	555846866	/nfs/dbraw/zinc/84/68/66/555846866.db2.gz	KYTKNJLDUBNEEJ-UHFFFAOYSA-N	-1	0	475.618	3.933	50	0		JHAARM
COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)no2)cc1	ZINC000011915057	555865840	/nfs/dbraw/zinc/86/58/40/555865840.db2.gz	SUJUKFFLJSXJGI-UHFFFAOYSA-N	-1	0	456.505	3.860	50	0		JHAARM
COCc1cc(C)nc2sc3c(c21)N[C@@H](c1c2cc(OC)c(OC)cc2[nH]c1C(=O)[O-])NC3=O	ZINC000015108031	555878020	/nfs/dbraw/zinc/87/80/20/555878020.db2.gz	SJYJKNJONZPYJA-HXUWFJFHSA-N	-1	0	482.518	3.802	50	0		JHAARM
CCCC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2C(=O)OC)C1	ZINC000012151570	555924529	/nfs/dbraw/zinc/92/45/29/555924529.db2.gz	HDQKIMJSDHKAHZ-UHFFFAOYSA-N	-1	0	450.582	3.637	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000012341955	555954302	/nfs/dbraw/zinc/95/43/02/555954302.db2.gz	WLYZFMLURAPCSY-INIZCTEOSA-N	-1	0	454.383	3.619	50	0		JHAARM
Cn1c(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)nc2ccccc21	ZINC000012547888	556025094	/nfs/dbraw/zinc/02/50/94/556025094.db2.gz	RXIOGUIZYUMRRR-UHFFFAOYSA-N	-1	0	456.474	3.582	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N(C)Cc2cccs2)c1	ZINC000023629705	556080766	/nfs/dbraw/zinc/08/07/66/556080766.db2.gz	IBBUHQIMCHFRON-UHFFFAOYSA-N	-1	0	472.588	3.981	50	0		JHAARM
COc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000012584190	556081685	/nfs/dbraw/zinc/08/16/85/556081685.db2.gz	IOHHFASHHKXKBW-UHFFFAOYSA-N	-1	0	468.531	3.506	50	0		JHAARM
COC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(OC)cc2)CC1	ZINC000023666926	556082649	/nfs/dbraw/zinc/08/26/49/556082649.db2.gz	UYCJMVPGDLNRDB-SFHVURJKSA-N	-1	0	468.535	3.739	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc(-n4ccnc4)nc3)ccc2OC)cc1	ZINC000024558853	556135909	/nfs/dbraw/zinc/13/59/09/556135909.db2.gz	ACCHBCBALSIBED-UHFFFAOYSA-N	-1	0	493.545	3.728	50	0		JHAARM
COc1cccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)c1	ZINC000017053496	556214080	/nfs/dbraw/zinc/21/40/80/556214080.db2.gz	UUEOMFVHCTWYOL-UHFFFAOYSA-N	-1	0	499.531	3.658	50	0		JHAARM
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135707	556222624	/nfs/dbraw/zinc/22/26/24/556222624.db2.gz	WPKBJGSAOMCLEN-UHFFFAOYSA-N	-1	0	487.495	3.789	50	0		JHAARM
COc1cc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2Cl)cc(OC)c1OC	ZINC000027527536	556288606	/nfs/dbraw/zinc/28/86/06/556288606.db2.gz	SHSNDDMIMQNDBT-UHFFFAOYSA-N	-1	0	466.881	3.522	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc(C)cc4O)[nH]n3)cc2)c1C	ZINC000013121735	556338646	/nfs/dbraw/zinc/33/86/46/556338646.db2.gz	LDIFRCGLRHSMBL-UHFFFAOYSA-N	-1	0	467.507	3.749	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)ccc1C	ZINC000029552425	556352945	/nfs/dbraw/zinc/35/29/45/556352945.db2.gz	QWYXJSHMCACCTN-UHFFFAOYSA-N	-1	0	473.595	3.638	50	0		JHAARM
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1	ZINC000032096008	556415537	/nfs/dbraw/zinc/41/55/37/556415537.db2.gz	XFVLAYOTHUETSV-REJWQLKLSA-N	-1	0	461.518	3.828	50	0		JHAARM
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCC(Cc2ccccc2)CC1	ZINC000032096010	556415631	/nfs/dbraw/zinc/41/56/31/556415631.db2.gz	XFVLAYOTHUETSV-DRUWVYPFSA-N	-1	0	461.518	3.828	50	0		JHAARM
CCn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Br	ZINC000032932375	556547377	/nfs/dbraw/zinc/54/73/77/556547377.db2.gz	OQXOYSBXEKASQB-UHFFFAOYSA-N	-1	0	467.345	3.546	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ncccn3)CC2)c(NC(=O)c2ccc(Br)cc2)c1	ZINC000032947136	556562552	/nfs/dbraw/zinc/56/25/52/556562552.db2.gz	SMHPNMKMMDJANJ-UHFFFAOYSA-N	-1	0	482.338	3.516	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])CC2)cc1	ZINC000032961574	556578103	/nfs/dbraw/zinc/57/81/03/556578103.db2.gz	OEDOZEJNBPNYBR-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000032961650	556578346	/nfs/dbraw/zinc/57/83/46/556578346.db2.gz	ZKPUJEMCNJDJAM-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000032961625	556578499	/nfs/dbraw/zinc/57/84/99/556578499.db2.gz	DCHAUFFFHKYOAR-UHFFFAOYSA-N	-1	0	489.594	3.762	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3ccccc3F)CC2)cc1	ZINC000032962006	569602739	/nfs/dbraw/zinc/60/27/39/569602739.db2.gz	CFIXPTIRIVZSRP-UHFFFAOYSA-N	-1	0	499.564	3.656	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(Cc3ccccc3F)CC2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000032962007	569602754	/nfs/dbraw/zinc/60/27/54/569602754.db2.gz	IOJVCXSMUNCJBC-UHFFFAOYSA-N	-1	0	469.538	3.647	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])C1	ZINC000032962054	569602817	/nfs/dbraw/zinc/60/28/17/569602817.db2.gz	ZYSPDBCFKKMSJH-SFHVURJKSA-N	-1	0	474.579	3.890	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1	ZINC000032975745	569606232	/nfs/dbraw/zinc/60/62/32/569606232.db2.gz	NYQRIIBVZOIWTG-WOJBJXKFSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCCCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1C(=O)[O-]	ZINC000064589763	569621134	/nfs/dbraw/zinc/62/11/34/569621134.db2.gz	NOXSHRYIXRIALO-UHFFFAOYSA-N	-1	0	452.555	3.583	50	0		JHAARM
O=C([O-])c1cc(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)ccc1NC(=O)C1CCCC1	ZINC000064590470	569621454	/nfs/dbraw/zinc/62/14/54/569621454.db2.gz	MUYZTFGRAHCQTG-UHFFFAOYSA-N	-1	0	484.984	3.928	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1F	ZINC000064774690	569626826	/nfs/dbraw/zinc/62/68/26/569626826.db2.gz	SDOCYMHOTPMSHF-KRWDZBQOSA-N	-1	0	459.478	3.990	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)c(C)c1	ZINC000064844125	569638271	/nfs/dbraw/zinc/63/82/71/569638271.db2.gz	OJVFZDVMIUMJEG-HXUWFJFHSA-N	-1	0	486.638	3.818	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)c1	ZINC000065063448	569656582	/nfs/dbraw/zinc/65/65/82/569656582.db2.gz	KEKRJXWVKYENLO-UHFFFAOYSA-N	-1	0	471.535	3.830	50	0		JHAARM
CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3cccc(F)c3)c(OC)c2)[n-]c1=O	ZINC000034766570	569658527	/nfs/dbraw/zinc/65/85/27/569658527.db2.gz	NZGJDUBZRDUTHH-HNNXBMFYSA-N	-1	0	454.502	3.818	50	0		JHAARM
Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccc(Br)c1	ZINC000065097686	569661551	/nfs/dbraw/zinc/66/15/51/569661551.db2.gz	HZYKQBZGURQEGD-UHFFFAOYSA-N	-1	0	497.396	3.906	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCC4)o3)cs2)cc1Cl	ZINC000065098803	569661781	/nfs/dbraw/zinc/66/17/81/569661781.db2.gz	JCMCPVVSWNPYGX-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2cc(OC)ccc2OC)c1	ZINC000065116323	569666424	/nfs/dbraw/zinc/66/64/24/569666424.db2.gz	CJEDLGOFCYVMBR-UHFFFAOYSA-N	-1	0	459.524	3.989	50	0		JHAARM
Cc1ccc(S(=O)(=O)N2CCC(Cc3ccc(Br)cc3)(C(=O)[O-])CC2)cc1	ZINC000034936182	569673624	/nfs/dbraw/zinc/67/36/24/569673624.db2.gz	QKKGZUWSSOMUAM-UHFFFAOYSA-N	-1	0	452.370	3.856	50	0		JHAARM
O=C([O-])[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)c1ccccc1	ZINC000035287463	569679525	/nfs/dbraw/zinc/67/95/25/569679525.db2.gz	PZRJUJTZSFMKML-XMMPIXPASA-N	-1	0	456.498	3.847	50	0		JHAARM
CCn1c(CC(=O)Nc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000072191573	569699960	/nfs/dbraw/zinc/69/99/60/569699960.db2.gz	VHNVBWAUBIOEOH-UHFFFAOYSA-N	-1	0	467.551	3.525	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2)c1cc(F)ccc1F	ZINC000035587821	569705047	/nfs/dbraw/zinc/70/50/47/569705047.db2.gz	JBZKGLNJWYVHLW-UHFFFAOYSA-N	-1	0	464.515	3.907	50	0		JHAARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2NS(=O)(=O)c2ccccc2)C[C@H]1c1ccco1	ZINC000035683992	569706654	/nfs/dbraw/zinc/70/66/54/569706654.db2.gz	ZWBHNKWSMHRHMG-FQEVSTJZSA-N	-1	0	467.503	3.623	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)cc1	ZINC000089639164	569719298	/nfs/dbraw/zinc/71/92/98/569719298.db2.gz	BUWOUZLNRXJWFW-UHFFFAOYSA-N	-1	0	452.941	3.956	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C(C)C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NC(C)C	ZINC000095841247	569728808	/nfs/dbraw/zinc/72/88/08/569728808.db2.gz	JFXRRLDBCKRFOC-UHFFFAOYSA-N	-1	0	466.560	3.544	50	0		JHAARM
O=C(C[C@@H](c1cccc(O)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096114222	569733302	/nfs/dbraw/zinc/73/33/02/569733302.db2.gz	CIMXJXULCKARBA-FQEVSTJZSA-N	-1	0	487.508	3.958	50	0	biogenic	JHAARM
CN1CCN(C(=O)C[C@@H](c2cccnc2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096114314	569733453	/nfs/dbraw/zinc/73/34/53/569733453.db2.gz	LGRICXHCVVXLFY-FQEVSTJZSA-N	-1	0	485.540	3.562	50	0	biogenic	JHAARM
CCCn1nc(C)c(-c2cc(C(=O)N3CCc4c(nc5cc(-c6ccccc6)[n-]n5c4=O)C3)[nH]n2)c1C	ZINC000097137247	569744400	/nfs/dbraw/zinc/74/44/00/569744400.db2.gz	YIQQICABECVACM-UHFFFAOYSA-N	-1	0	496.575	3.502	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)/C=C\c2ccccc2)ccc1N1CCOCC1	ZINC000097986600	569748551	/nfs/dbraw/zinc/74/85/51/569748551.db2.gz	HRPGPJQBRARAQB-KAMYIIQDSA-N	-1	0	493.585	3.985	50	0		JHAARM
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O	ZINC000100551412	569764245	/nfs/dbraw/zinc/76/42/45/569764245.db2.gz	QQYHKXNYXPDNPN-UHFFFAOYSA-N	-1	0	460.534	3.944	50	0		JHAARM
COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)c3ccc(F)cc3N(C)C2=O)cc1	ZINC000036366197	569773021	/nfs/dbraw/zinc/77/30/21/569773021.db2.gz	BPWKPCMBMPTEHF-HSZRJFAPSA-N	-1	0	452.463	3.866	50	0		JHAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000036550152	569776421	/nfs/dbraw/zinc/77/64/21/569776421.db2.gz	OQXWBQJXLRLGSS-PCCBWWKXSA-N	-1	0	466.538	3.796	50	0		JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)c1	ZINC000036589959	569777091	/nfs/dbraw/zinc/77/70/91/569777091.db2.gz	WEOLFPXAIWCHDD-JOCHJYFZSA-N	-1	0	450.516	3.522	50	0		JHAARM
Cc1csc(=O)n1CCC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F	ZINC000036763698	569780689	/nfs/dbraw/zinc/78/06/89/569780689.db2.gz	OKHOEQVYYCYPQJ-UHFFFAOYSA-N	-1	0	469.947	3.840	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000101165864	569785526	/nfs/dbraw/zinc/78/55/26/569785526.db2.gz	JUKALPLQGZRLPF-JKSUJKDBSA-N	-1	0	452.685	3.579	50	0		JHAARM
CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(OC)cc5)c(=O)c3=4)c(C)o2)cc1	ZINC000101180384	569786317	/nfs/dbraw/zinc/78/63/17/569786317.db2.gz	OAWZNLMEVSUZDA-LEWJYISDSA-N	-1	0	461.478	3.551	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1	ZINC000101261156	569788236	/nfs/dbraw/zinc/78/82/36/569788236.db2.gz	HJPKJXBHDCJOLN-ROUUACIJSA-N	-1	0	481.310	3.555	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101262702	569788372	/nfs/dbraw/zinc/78/83/72/569788372.db2.gz	CSIMXYTVCAQPCO-RTBURBONSA-N	-1	0	484.875	3.810	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1C	ZINC000101277507	569788881	/nfs/dbraw/zinc/78/88/81/569788881.db2.gz	XUFXXRQDOCVPDC-MOPGFXCFSA-N	-1	0	450.886	3.809	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000101629219	569802182	/nfs/dbraw/zinc/80/21/82/569802182.db2.gz	XGQXQFJVNXBUAP-ROUUACIJSA-N	-1	0	462.955	3.825	50	0		JHAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(C)(=O)=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	ZINC000039577230	569810961	/nfs/dbraw/zinc/81/09/61/569810961.db2.gz	IGRVQKYUOYSWCX-NWDGAFQWSA-N	-1	0	459.351	3.788	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)ccc1OC	ZINC000102290262	569812232	/nfs/dbraw/zinc/81/22/32/569812232.db2.gz	OVVXXFTVIPJXII-CALCHBBNSA-N	-1	0	492.981	3.833	50	0		JHAARM
Cc1c(-c2nnc(SCC(=O)[O-])n2-c2cccc(Br)c2)nnn1-c1ccccc1	ZINC000039933085	569812373	/nfs/dbraw/zinc/81/23/73/569812373.db2.gz	QDMXTRHNFGNRAV-UHFFFAOYSA-N	-1	0	471.340	3.763	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c1	ZINC000040450421	569828309	/nfs/dbraw/zinc/82/83/09/569828309.db2.gz	KBNJJJFKTOFJTF-UHFFFAOYSA-N	-1	0	493.379	3.726	50	0		JHAARM
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cc(OC)ccc2OC)CC(=O)N3)c(OC)c1	ZINC000049543123	569848371	/nfs/dbraw/zinc/84/83/71/569848371.db2.gz	YUXBJQZMEUEADR-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(OC)c2OC)CC(=O)N3)c1	ZINC000049543305	569848457	/nfs/dbraw/zinc/84/84/57/569848457.db2.gz	IPBWVCZJHQTHBC-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c1	ZINC000113562454	569861909	/nfs/dbraw/zinc/86/19/09/569861909.db2.gz	TUJBIJVRVBKYNW-FYCOFBDGSA-N	-1	0	465.314	3.997	50	0		JHAARM
Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccc(C(=O)[O-])cc2)o1	ZINC000217888596	569882057	/nfs/dbraw/zinc/88/20/57/569882057.db2.gz	HVMQDLFASONLLW-FQEVSTJZSA-N	-1	0	472.497	3.940	50	0	biogenic	JHAARM
CCOc1cc(C(=O)[O-])cc(I)c1OS(=O)(=O)c1ccc(Cl)cc1	ZINC000227174072	570040127	/nfs/dbraw/zinc/04/01/27/570040127.db2.gz	ZHQIZNBCEMDESC-UHFFFAOYSA-N	-1	0	482.679	3.809	50	0		JHAARM
COc1ccc(NC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471547	570099436	/nfs/dbraw/zinc/09/94/36/570099436.db2.gz	UZQKKPNTYLJURG-GOSISDBHSA-N	-1	0	469.490	3.849	50	0		JHAARM
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1	ZINC000001132552	194040201	/nfs/dbraw/zinc/04/02/01/194040201.db2.gz	IKQKHOFOUCKRNA-QGZVFWFLSA-N	-1	0	454.552	3.917	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CSC(=S)N(C)C3CCCCC3)cc2)n1	ZINC000001860063	194150739	/nfs/dbraw/zinc/15/07/39/194150739.db2.gz	JXZZUIIVDWUKCO-UHFFFAOYSA-N	-1	0	493.680	3.807	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)nc(C)n1	ZINC000002086102	194156981	/nfs/dbraw/zinc/15/69/81/194156981.db2.gz	SHIMDPALBDDRPQ-UHFFFAOYSA-N	-1	0	472.395	3.842	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1cccc(Br)c1)NC(=O)c1ccco1	ZINC000002956604	194179774	/nfs/dbraw/zinc/17/97/74/194179774.db2.gz	ACIDMQZXZZBSFA-BSKAQADGSA-N	-1	0	483.318	3.625	50	0		JHAARM
O=C([O-])c1ccc2c(c1)nc(SCCN1C(=O)c3ccccc3C1=O)n(Cc1ccccc1)c2=O	ZINC000003382452	194309814	/nfs/dbraw/zinc/30/98/14/194309814.db2.gz	MQRGCIMLGZROGM-UHFFFAOYSA-N	-1	0	485.521	3.531	50	0		JHAARM
O=C([O-])c1ccc(CNC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1	ZINC000003448077	194327878	/nfs/dbraw/zinc/32/78/78/194327878.db2.gz	RKQLJWJJBYJBQW-UHFFFAOYSA-N	-1	0	488.525	3.770	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C)C2=O	ZINC000003957637	194367276	/nfs/dbraw/zinc/36/72/76/194367276.db2.gz	OBPGELYTFSMDSQ-LEWJYISDSA-N	-1	0	459.495	3.505	50	0		JHAARM
COc1cc(CC(=O)[O-])c(S(=O)(=O)Nc2ccc(SC(F)(F)F)cc2)cc1OC	ZINC000004244674	194385965	/nfs/dbraw/zinc/38/59/65/194385965.db2.gz	SRTQIWXFXFVKBJ-UHFFFAOYSA-N	-1	0	451.444	3.744	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1	ZINC000009203036	194593000	/nfs/dbraw/zinc/59/30/00/194593000.db2.gz	FXTCINUATAFBQI-UHFFFAOYSA-N	-1	0	493.585	3.595	50	0		JHAARM
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O	ZINC000009323856	194691710	/nfs/dbraw/zinc/69/17/10/194691710.db2.gz	OHKSYEYKIBCUJX-HYARGMPZSA-N	-1	0	485.496	3.804	50	0		JHAARM
CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)nnc1-c1ccco1	ZINC000009635316	194838461	/nfs/dbraw/zinc/83/84/61/194838461.db2.gz	BOXQSXZOJNKPQB-UHFFFAOYSA-N	-1	0	490.592	3.546	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(Cl)ccc1Cl	ZINC000012605569	195050987	/nfs/dbraw/zinc/05/09/87/195050987.db2.gz	NRXHTRRMVAKUMC-UHFFFAOYSA-N	-1	0	461.348	3.866	50	0		JHAARM
CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(Oc3ccc(F)cc3)coc2c1CN1CCC[C@@H]1C(=O)[O-]	ZINC000012652527	195076737	/nfs/dbraw/zinc/07/67/37/195076737.db2.gz	ZYSKZUYOHVFAEE-GOSISDBHSA-N	-1	0	499.447	3.624	50	0	biogenic	JHAARM
O=C(c1ccncc1)N1CCN(Cc2nc(=O)c3sc(-c4ccc(Cl)cc4)cc3[n-]2)CC1	ZINC000012739609	195100535	/nfs/dbraw/zinc/10/05/35/195100535.db2.gz	LFKASTCRRSUZRS-UHFFFAOYSA-N	-1	0	465.966	3.658	50	0		JHAARM
Cc1ccc(-c2nnc(SCCS(=O)(=O)c3ccc(Cl)cc3)n2CCC(=O)[O-])cc1	ZINC000012783684	195126279	/nfs/dbraw/zinc/12/62/79/195126279.db2.gz	LODIAPZQNAJFPE-UHFFFAOYSA-N	-1	0	465.984	3.948	50	0		JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](c2ccccc2)N2Cc3ccccc3C2=O)c1	ZINC000020744837	195214832	/nfs/dbraw/zinc/21/48/32/195214832.db2.gz	WEOLFPXAIWCHDD-QFIPXVFZSA-N	-1	0	450.516	3.522	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3nnc(Cc4ccc5c(c4)OCO5)o3)c2)c1	ZINC000021358752	195298525	/nfs/dbraw/zinc/29/85/25/195298525.db2.gz	SNCXFBIHTLEHPP-UHFFFAOYSA-N	-1	0	495.513	3.874	50	0		JHAARM
CCc1c(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2O)[nH]c(C)c1C(C)=O	ZINC000059367923	195398260	/nfs/dbraw/zinc/39/82/60/195398260.db2.gz	LASLSKWVQOJLHK-UHFFFAOYSA-N	-1	0	471.535	3.855	50	0		JHAARM
CCOC(=O)c1cnn(-c2cccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)c2)c1C(F)(F)F	ZINC000062588337	195424802	/nfs/dbraw/zinc/42/48/02/195424802.db2.gz	YOUGQGMWMXVVHI-UHFFFAOYSA-N	-1	0	499.467	3.886	50	0		JHAARM
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1C	ZINC000096317743	130062041	/nfs/dbraw/zinc/06/20/41/130062041.db2.gz	YZOBDADKOTWHKZ-ZDUSSCGKSA-N	-1	0	480.587	3.671	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C(C)C)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NC(C)C	ZINC000096317908	130062700	/nfs/dbraw/zinc/06/27/00/130062700.db2.gz	JOTOAEWYOPDKEE-UHFFFAOYSA-N	-1	0	480.587	3.934	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000006144686	519724139	/nfs/dbraw/zinc/72/41/39/519724139.db2.gz	BUBYGSYQNAOIMV-CQSZACIVSA-N	-1	0	487.559	3.691	50	0		JHAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1	ZINC000033308020	519727030	/nfs/dbraw/zinc/72/70/30/519727030.db2.gz	CTZLRDZRMGNPMP-UHFFFAOYSA-N	-1	0	462.535	3.705	50	0		JHAARM
CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCCC2)c1	ZINC000013942859	520564056	/nfs/dbraw/zinc/56/40/56/520564056.db2.gz	HRJVPENRZFXQPU-UHFFFAOYSA-N	-1	0	487.622	3.994	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])C1	ZINC000033253384	521121071	/nfs/dbraw/zinc/12/10/71/521121071.db2.gz	OSGXIFZFKIQHNW-QGZVFWFLSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)c1sc(NC(=O)CSc2ccccc2C(=O)[O-])c(C(=O)OCC)c1C	ZINC000013189335	521612615	/nfs/dbraw/zinc/61/26/15/521612615.db2.gz	DUGQDLCMKQBYRE-UHFFFAOYSA-N	-1	0	451.522	3.839	50	0		JHAARM
CCOC(=O)c1sc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)nc1C	ZINC000006146148	521615817	/nfs/dbraw/zinc/61/58/17/521615817.db2.gz	BUIFXXIIPXCIHA-UHFFFAOYSA-N	-1	0	459.549	3.990	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-]	ZINC000033253810	521669471	/nfs/dbraw/zinc/66/94/71/521669471.db2.gz	SMLLAKMJBCJMOV-UHFFFAOYSA-N	-1	0	460.531	3.876	50	0		JHAARM
CCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)n1	ZINC000002888584	521787552	/nfs/dbraw/zinc/78/75/52/521787552.db2.gz	JCNQRDUVNUYGEC-UHFFFAOYSA-N	-1	0	478.987	3.702	50	0		JHAARM
CCc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)c(Cl)c2)c(=O)[n-]1	ZINC000012414587	521877769	/nfs/dbraw/zinc/87/77/69/521877769.db2.gz	WNXNJVYIMQLLFA-UHFFFAOYSA-N	-1	0	477.995	3.858	50	0		JHAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1OC	ZINC000033276590	521912366	/nfs/dbraw/zinc/91/23/66/521912366.db2.gz	FIMYEGLVUPNAJN-UHFFFAOYSA-N	-1	0	468.535	3.603	50	0		JHAARM
COC(=O)c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(-c3nc(C4CC4)no3)c2)c1	ZINC000048366762	521942200	/nfs/dbraw/zinc/94/22/00/521942200.db2.gz	YJYBAUYZWHQGAI-UHFFFAOYSA-N	-1	0	478.324	3.964	50	0		JHAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)cc1	ZINC000033170695	522133902	/nfs/dbraw/zinc/13/39/02/522133902.db2.gz	QWUYNBYCUVFNLX-SDQBBNPISA-N	-1	0	485.518	3.708	50	0		JHAARM
COc1cc([C@@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc(OC)c1OC	ZINC000022610005	522915316	/nfs/dbraw/zinc/91/53/16/522915316.db2.gz	LEABNHFDUKQTQY-FQEVSTJZSA-N	-1	0	499.568	3.573	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C	ZINC000033276602	523077323	/nfs/dbraw/zinc/07/73/23/523077323.db2.gz	YHYKWLKHVNCHFC-UHFFFAOYSA-N	-1	0	482.562	3.966	50	0		JHAARM
COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)[N-]c4cccnc4)c3)o2)cc1OC	ZINC000064988066	523249485	/nfs/dbraw/zinc/24/94/85/523249485.db2.gz	NDFPJZQHRZQSHY-UHFFFAOYSA-N	-1	0	452.492	3.925	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1	ZINC000048312120	523507900	/nfs/dbraw/zinc/50/79/00/523507900.db2.gz	DWHCWETZEAQVED-INIZCTEOSA-N	-1	0	452.330	3.986	50	0		JHAARM
COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012526059	523721617	/nfs/dbraw/zinc/72/16/17/523721617.db2.gz	FNNBZWCFRJAUCF-GUYCJALGSA-N	-1	0	483.384	3.556	50	0		JHAARM
CCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])ccc12	ZINC000002123258	523742394	/nfs/dbraw/zinc/74/23/94/523742394.db2.gz	QZEZKXQCQCKLAK-IBGZPJMESA-N	-1	0	455.532	3.545	50	0	biogenic	JHAARM
CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002138564	523744350	/nfs/dbraw/zinc/74/43/50/523744350.db2.gz	NHYDKYOYHCNBLD-FKIZINRSSA-N	-1	0	498.919	3.775	50	0	biogenic	JHAARM
COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)C2=O)c1	ZINC000014136617	524193464	/nfs/dbraw/zinc/19/34/64/524193464.db2.gz	PBFSVCABHPCVAO-DEOSSOPVSA-N	-1	0	493.520	3.655	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000033253069	524564552	/nfs/dbraw/zinc/56/45/52/524564552.db2.gz	NUUUWAXJONPKLM-UHFFFAOYSA-N	-1	0	467.547	3.521	50	0		JHAARM
Cc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1F	ZINC000027171764	524564612	/nfs/dbraw/zinc/56/46/12/524564612.db2.gz	GORFXKJYRORUGG-UHFFFAOYSA-N	-1	0	456.495	3.636	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C)cc2C(=O)[O-])CC1	ZINC000033253077	524564698	/nfs/dbraw/zinc/56/46/98/524564698.db2.gz	GNJGLXZFHSVMDX-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)c(OC)c1	ZINC000065010741	524684106	/nfs/dbraw/zinc/68/41/06/524684106.db2.gz	GXZDLEBWOGHWHO-UHFFFAOYSA-N	-1	0	488.562	3.648	50	0		JHAARM
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cccs2)n(C)c(=O)n3C)cc1	ZINC000045941073	525113267	/nfs/dbraw/zinc/11/32/67/525113267.db2.gz	OEVIVKBVQMEEEX-UHFFFAOYSA-N	-1	0	461.590	3.899	50	0		JHAARM
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1	ZINC000045941067	525113821	/nfs/dbraw/zinc/11/38/21/525113821.db2.gz	JWUJHHDRZDDDGX-UHFFFAOYSA-N	-1	0	473.551	3.977	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253086	525605539	/nfs/dbraw/zinc/60/55/39/525605539.db2.gz	YQOBEVWOUUMWPF-UHFFFAOYSA-N	-1	0	451.548	3.821	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)c(C)c1	ZINC000033253028	525606251	/nfs/dbraw/zinc/60/62/51/525606251.db2.gz	FOBSDUDVDPXKSH-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
Cc1c(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000016249160	525864209	/nfs/dbraw/zinc/86/42/09/525864209.db2.gz	NITYBBSJIIZODA-UHFFFAOYSA-N	-1	0	462.531	3.538	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(F)ccc3C)cn2CC(=O)N2CCCC2)n1	ZINC000033307585	526300715	/nfs/dbraw/zinc/30/07/15/526300715.db2.gz	VUNCPTMCPUAZQT-UHFFFAOYSA-N	-1	0	462.572	3.791	50	0		JHAARM
O=C([O-])[C@H](CNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002564725	526303548	/nfs/dbraw/zinc/30/35/48/526303548.db2.gz	CDAHZCMBWKGJEC-QHCPKHFHSA-N	-1	0	460.486	3.905	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCC[C@@H](C[NH+]2CCCC2)C1	ZINC000033253757	526352475	/nfs/dbraw/zinc/35/24/75/526352475.db2.gz	MSWAGZFSJLYKLR-INIZCTEOSA-N	-1	0	479.549	3.776	50	0		JHAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N(c2cccc(O)c2)C3=O)cc1	ZINC000006076561	526383053	/nfs/dbraw/zinc/38/30/53/526383053.db2.gz	SBIYLAGXMRJBCJ-UHFFFAOYSA-N	-1	0	473.462	3.877	50	0		JHAARM
O=C(CCC(=O)OCCCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012293912	526385718	/nfs/dbraw/zinc/38/57/18/526385718.db2.gz	OWUAIHLJDZBDEU-UHFFFAOYSA-N	-1	0	473.576	3.839	50	0		JHAARM
Cc1noc(C)c1CCN(C)c1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-]	ZINC000021883430	526490065	/nfs/dbraw/zinc/49/00/65/526490065.db2.gz	ZPMVTIMKPFVXRB-UHFFFAOYSA-N	-1	0	461.515	3.917	50	0		JHAARM
O=C(NCc1ccccc1Cl)c1ccc2c([O-])c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1	ZINC000008589469	526747961	/nfs/dbraw/zinc/74/79/61/526747961.db2.gz	DWONVNSGRHVOKS-UHFFFAOYSA-N	-1	0	468.918	3.650	50	0		JHAARM
O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(c2ccccc2)CC1	ZINC000012520896	526807162	/nfs/dbraw/zinc/80/71/62/526807162.db2.gz	CQEMLVBLQKAZSC-UHFFFAOYSA-N	-1	0	476.558	3.677	50	0		JHAARM
O=S(=O)([N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1C(F)(F)F	ZINC000008609783	527251540	/nfs/dbraw/zinc/25/15/40/527251540.db2.gz	KKDKNWSEIHOMLY-UHFFFAOYSA-N	-1	0	464.469	3.800	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1	ZINC000011916033	527258087	/nfs/dbraw/zinc/25/80/87/527258087.db2.gz	ILJUKTZVVXTHSJ-UHFFFAOYSA-N	-1	0	484.515	3.622	50	0		JHAARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C2=O)cc1	ZINC000000678227	553751610	/nfs/dbraw/zinc/75/16/10/553751610.db2.gz	MFSXOXMBHVUGLT-QGOAFFKASA-N	-1	0	492.509	3.614	50	0		JHAARM
CC(C)C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N1C(=O)c2ccccc2C1=O	ZINC000000791083	553781795	/nfs/dbraw/zinc/78/17/95/553781795.db2.gz	VWCHRQOCLFHLAH-NRFANRHFSA-N	-1	0	492.557	3.532	50	0		JHAARM
O=C([O-])c1ccccc1NC(=O)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1	ZINC000001196877	553931041	/nfs/dbraw/zinc/93/10/41/553931041.db2.gz	NQTAWFMFUDIBBQ-UHFFFAOYSA-N	-1	0	489.347	3.878	50	0		JHAARM
CCOC(=O)[C@]([N-]c1nc2ccc(OCC)cc2s1)(NC(=O)c1ccco1)C(F)(F)F	ZINC000001659527	553981761	/nfs/dbraw/zinc/98/17/61/553981761.db2.gz	VXMVGEQMRWCYJP-GOSISDBHSA-N	-1	0	457.430	3.952	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)c1C	ZINC000002386811	554177894	/nfs/dbraw/zinc/17/78/94/554177894.db2.gz	BTYMAIGTFGGUIM-UHFFFAOYSA-N	-1	0	457.537	3.699	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCCO2)c1cccc2nsnc21	ZINC000002604440	554240387	/nfs/dbraw/zinc/24/03/87/554240387.db2.gz	WBVQVCGNSSQWDQ-UHFFFAOYSA-N	-1	0	492.542	3.950	50	0		JHAARM
Cc1ccc(Nc2nnc(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])s2)cc1	ZINC000002633019	554254467	/nfs/dbraw/zinc/25/44/67/554254467.db2.gz	CTNXYSIGCPARQK-GOSISDBHSA-N	-1	0	467.576	3.976	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCc4ccc5c(c4)OCO5)c3=O)c2c1	ZINC000002690217	554285417	/nfs/dbraw/zinc/28/54/17/554285417.db2.gz	XFZHRZVALGERTI-UHFFFAOYSA-N	-1	0	480.546	3.764	50	0		JHAARM
O=C(NC[C@H]1COc2ccccc2O1)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000002972125	554414099	/nfs/dbraw/zinc/41/40/99/554414099.db2.gz	NCILJMOVJBLOJN-ABHNRTSZSA-N	-1	0	465.575	3.822	50	0		JHAARM
COc1ccc(CNC(=O)CCCCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1	ZINC000002974399	554414761	/nfs/dbraw/zinc/41/47/61/554414761.db2.gz	UBOSVDMVCAAOSE-UHFFFAOYSA-N	-1	0	455.536	3.673	50	0		JHAARM
CCN(CCCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)c1cccc(C)c1	ZINC000002975209	554414791	/nfs/dbraw/zinc/41/47/91/554414791.db2.gz	CZKPJIIKPSTQKM-UHFFFAOYSA-N	-1	0	482.606	3.909	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S)NCc1ccccc1	ZINC000002976072	554415739	/nfs/dbraw/zinc/41/57/39/554415739.db2.gz	REQBTKHJMXLHGB-UHFFFAOYSA-N	-1	0	466.607	3.772	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1	ZINC000005706752	554492912	/nfs/dbraw/zinc/49/29/12/554492912.db2.gz	NRTMQKMHFPBQNP-LOSJGSFVSA-N	-1	0	485.540	3.818	50	0		JHAARM
CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCC2=CCCCC2)c3=O)CC1	ZINC000006531026	554549395	/nfs/dbraw/zinc/54/93/95/554549395.db2.gz	YJNYMVSEUUODFE-UHFFFAOYSA-N	-1	0	470.595	3.864	50	0		JHAARM
O=C(NCCCn1cnc2ccccc21)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000008744689	554647716	/nfs/dbraw/zinc/64/77/16/554647716.db2.gz	NAXLDEKVLJVFCZ-UHFFFAOYSA-N	-1	0	452.511	3.796	50	0		JHAARM
O=c1/c(=C/c2cc(Br)cc(Br)c2[O-])sc2nc3ccccc3n12	ZINC000008809502	554688519	/nfs/dbraw/zinc/68/85/19/554688519.db2.gz	XZISCQZGAYYRBR-MLPAPPSSSA-N	-1	0	452.127	3.688	50	0		JHAARM
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(F)cc3)s2)n1	ZINC000008915210	554808419	/nfs/dbraw/zinc/80/84/19/554808419.db2.gz	IAHHJGCEDJJVDH-UHFFFAOYSA-N	-1	0	487.991	3.849	50	0		JHAARM
Cc1nn(CC(C)C)c2sc(C(=O)[N-]N3C(=O)N[C@@](C)(CCc4ccccc4)C3=O)cc12	ZINC000008940058	554831554	/nfs/dbraw/zinc/83/15/54/554831554.db2.gz	LVPCPKXJIUTEPC-QHCPKHFHSA-N	-1	0	453.568	3.650	50	0		JHAARM
Cc1ccc2nc(N3CCN(C(=O)[C@H]4CC=CC[C@@H]4C(=O)[O-])CC3)nc(-c3ccccc3)c2c1	ZINC000009019601	554866926	/nfs/dbraw/zinc/86/69/26/554866926.db2.gz	VKPOPKZBSRFKMQ-SFTDATJTSA-N	-1	0	456.546	3.921	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCCO2)cc1	ZINC000009083305	554888403	/nfs/dbraw/zinc/88/84/03/554888403.db2.gz	DYJUKEAJIUKSKY-KRWDZBQOSA-N	-1	0	469.357	3.766	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(CSc2nc[nH]n2)cc1	ZINC000009126880	554921266	/nfs/dbraw/zinc/92/12/66/554921266.db2.gz	CPXTUWIJFITACC-UHFFFAOYSA-N	-1	0	472.577	3.607	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1	ZINC000009244581	555019804	/nfs/dbraw/zinc/01/98/04/555019804.db2.gz	SHGCSZARXLXJHW-UHFFFAOYSA-N	-1	0	495.395	3.856	50	0		JHAARM
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O	ZINC000009245019	555020434	/nfs/dbraw/zinc/02/04/34/555020434.db2.gz	AVSBHYZRLLZZDB-MSOLQXFVSA-N	-1	0	493.589	3.783	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000009424305	555188911	/nfs/dbraw/zinc/18/89/11/555188911.db2.gz	MGSRZZZNMSSJNF-ZDXQCDESSA-N	-1	0	488.496	3.762	50	0		JHAARM
COCCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1	ZINC000009467940	555246141	/nfs/dbraw/zinc/24/61/41/555246141.db2.gz	KGLQLRMJCUUCKE-UHFFFAOYSA-N	-1	0	456.520	3.665	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1	ZINC000009493540	555275704	/nfs/dbraw/zinc/27/57/04/555275704.db2.gz	PIUYLGVZZGPHTC-UHFFFAOYSA-N	-1	0	478.530	3.618	50	0		JHAARM
COc1ccc(C(=O)[C@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(OC)c1	ZINC000009511919	555301051	/nfs/dbraw/zinc/30/10/51/555301051.db2.gz	XQWVYPXNRHDKHN-AWEZNQCLSA-N	-1	0	475.544	3.994	50	0		JHAARM
O=C(CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1	ZINC000009635322	555342514	/nfs/dbraw/zinc/34/25/14/555342514.db2.gz	SXJZZKQFFKWOGJ-UHFFFAOYSA-N	-1	0	479.892	3.788	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1N1CCOCC1	ZINC000009647657	555361487	/nfs/dbraw/zinc/36/14/87/555361487.db2.gz	ZSPXTOIASPIMMU-UHFFFAOYSA-N	-1	0	461.765	3.749	50	0		JHAARM
Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009672292	555393691	/nfs/dbraw/zinc/39/36/91/555393691.db2.gz	LKHBQZYGZBFDKL-UHFFFAOYSA-N	-1	0	476.562	3.651	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000013394823	555394765	/nfs/dbraw/zinc/39/47/65/555394765.db2.gz	VDIMDAHQCHVMHV-KRWDZBQOSA-N	-1	0	455.927	3.511	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(NCc2ccccc2)s1	ZINC000013413049	555397210	/nfs/dbraw/zinc/39/72/10/555397210.db2.gz	QBXJPXQCCIBBCB-GOSISDBHSA-N	-1	0	467.576	3.536	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1	ZINC000009715526	555447530	/nfs/dbraw/zinc/44/75/30/555447530.db2.gz	ZYYIUQJKNQGHAE-UHFFFAOYSA-N	-1	0	451.504	3.633	50	0		JHAARM
Cc1sc2nc(CN3CCCCC3)nc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)c2c1C	ZINC000009781779	555502090	/nfs/dbraw/zinc/50/20/90/555502090.db2.gz	FUTDHOOLWWBQHB-UHFFFAOYSA-N	-1	0	474.608	3.866	50	0		JHAARM
CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1	ZINC000013579055	555517981	/nfs/dbraw/zinc/51/79/81/555517981.db2.gz	ZWZQUIXNKPIKLD-SFTDATJTSA-N	-1	0	464.518	3.958	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCc1c(F)cccc1F	ZINC000009828542	555526056	/nfs/dbraw/zinc/52/60/56/555526056.db2.gz	OUMFMOBATQDYHC-UHFFFAOYSA-N	-1	0	457.911	3.734	50	0		JHAARM
CC(=O)Nc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc1	ZINC000009828549	555526557	/nfs/dbraw/zinc/52/65/57/555526557.db2.gz	NWVGBUMNEBGIHY-UHFFFAOYSA-N	-1	0	464.956	3.737	50	0		JHAARM
CCN(C(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1)C1CCCCC1	ZINC000020025033	555603160	/nfs/dbraw/zinc/60/31/60/555603160.db2.gz	AMIOOKBZIMUQNJ-MRXNPFEDSA-N	-1	0	463.556	3.510	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NCCc1cc2ccccc2[nH]1	ZINC000013732667	555604356	/nfs/dbraw/zinc/60/43/56/555604356.db2.gz	MAROUGBXZJVPBL-UHFFFAOYSA-N	-1	0	474.995	3.980	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N(O)[C@H]2N(CCc3ccccc3F)C(=S)SC2(C)C)cc1	ZINC000013739533	555606980	/nfs/dbraw/zinc/60/69/80/555606980.db2.gz	LHYPTVFULJQZDL-GOSISDBHSA-N	-1	0	497.639	3.905	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1c[nH]c2ccccc21	ZINC000010210846	555646089	/nfs/dbraw/zinc/64/60/89/555646089.db2.gz	BIVRWRSRTGHEQH-UHFFFAOYSA-N	-1	0	492.509	3.780	50	0		JHAARM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(F)c3)[n-]c2=O)cc1	ZINC000010272558	555666825	/nfs/dbraw/zinc/66/68/25/555666825.db2.gz	FMTCWNLRBOKJPQ-UHFFFAOYSA-N	-1	0	475.567	3.770	50	0		JHAARM
CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(F)c3)[n-]c2=O)cc1	ZINC000010433718	555708098	/nfs/dbraw/zinc/70/80/98/555708098.db2.gz	TUAHYDWTRYTJQK-UHFFFAOYSA-N	-1	0	461.540	3.596	50	0		JHAARM
CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000010512468	555722195	/nfs/dbraw/zinc/72/21/95/555722195.db2.gz	LUFXGRHDNFFRMH-UHFFFAOYSA-N	-1	0	485.937	3.842	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCc4ccccc4OC)c3=O)c2c1	ZINC000020330529	555775889	/nfs/dbraw/zinc/77/58/89/555775889.db2.gz	IDRKEPSYTZBKII-UHFFFAOYSA-N	-1	0	452.536	3.654	50	0		JHAARM
COc1ccc(CCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[n-]2)cc1	ZINC000011695409	555802172	/nfs/dbraw/zinc/80/21/72/555802172.db2.gz	BFVSTMUQDHIAAR-UHFFFAOYSA-N	-1	0	483.532	3.904	50	0		JHAARM
Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc12	ZINC000011865554	555840294	/nfs/dbraw/zinc/84/02/94/555840294.db2.gz	SKIXMKPOJFKOBJ-LJQANCHMSA-N	-1	0	455.532	3.551	50	0		JHAARM
CCOC(=O)c1ccc(NC(=O)COc2cc(Br)c(/C=C/C(=O)[O-])cc2OC)cc1	ZINC000022077330	555872016	/nfs/dbraw/zinc/87/20/16/555872016.db2.gz	ODWPSVKXTRVLLW-RMKNXTFCSA-N	-1	0	478.295	3.750	50	0		JHAARM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1	ZINC000015227088	555887400	/nfs/dbraw/zinc/88/74/00/555887400.db2.gz	FEZPKPJQNSLKEQ-ODLFYWEKSA-N	-1	0	463.421	3.624	50	0		JHAARM
O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1Cl	ZINC000015230976	555889571	/nfs/dbraw/zinc/88/95/71/555889571.db2.gz	KVQKQJKBXNOHQY-QGOAFFKASA-N	-1	0	491.887	3.730	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)CCC(F)(F)F)CC2	ZINC000012151622	555924474	/nfs/dbraw/zinc/92/44/74/555924474.db2.gz	FHFXNWASSZAPQQ-UHFFFAOYSA-N	-1	0	490.525	3.871	50	0		JHAARM
O=C(CSC1=NC(=O)C(C/C=C/c2ccccc2)C([O-])=N1)N1CCCC[C@@H]1c1cccnc1	ZINC000012322876	555952829	/nfs/dbraw/zinc/95/28/29/555952829.db2.gz	ZSKDKJXEFYJUNZ-VMLCMGRWSA-N	-1	0	462.575	3.972	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000012341959	555954324	/nfs/dbraw/zinc/95/43/24/555954324.db2.gz	NALDTNMYLRDTSF-MRXNPFEDSA-N	-1	0	454.383	3.619	50	0		JHAARM
CCc1nc2sc([C@H](c3cccc(Br)c3)N3CCN(CC)CC3)c([O-])n2n1	ZINC000022854441	555960915	/nfs/dbraw/zinc/96/09/15/555960915.db2.gz	MUVDNQMRRWRROY-INIZCTEOSA-N	-1	0	450.406	3.548	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000022854733	555961167	/nfs/dbraw/zinc/96/11/67/555961167.db2.gz	HZWWMMFBZHCPGQ-JOCHJYFZSA-N	-1	0	463.607	3.975	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2cc(F)cc3c2OCOC3)cc1	ZINC000012521164	555992367	/nfs/dbraw/zinc/99/23/67/555992367.db2.gz	ZTAIGTDKQQZUSY-UHFFFAOYSA-N	-1	0	473.478	3.859	50	0		JHAARM
O=C(NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)c1ccco1	ZINC000023041641	556001346	/nfs/dbraw/zinc/00/13/46/556001346.db2.gz	QLKKBAPLAGFQPT-UHFFFAOYSA-N	-1	0	482.345	3.547	50	0		JHAARM
CCC[C@H](NC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000015821615	556010207	/nfs/dbraw/zinc/01/02/07/556010207.db2.gz	BGOLFVZCYFVQHY-DYGKOUCMSA-N	-1	0	459.340	3.898	50	0		JHAARM
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)[n-]c2=O)cc1	ZINC000023118978	556012543	/nfs/dbraw/zinc/01/25/43/556012543.db2.gz	PAKZHJJHZZHTBK-UHFFFAOYSA-N	-1	0	477.995	3.858	50	0		JHAARM
COc1ccc(-n2c(C)nc3ccc([N-]S(=O)(=O)c4cc(OC)ccc4OC)cc3c2=O)cc1	ZINC000023143960	556022673	/nfs/dbraw/zinc/02/26/73/556022673.db2.gz	QYUXSOVTPKNINY-UHFFFAOYSA-N	-1	0	481.530	3.521	50	0		JHAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccccc3SCc3ccccc3)cc21	ZINC000023144345	556022855	/nfs/dbraw/zinc/02/28/55/556022855.db2.gz	OTWMQLNEWYAKFJ-UHFFFAOYSA-N	-1	0	484.555	3.590	50	0		JHAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1	ZINC000023157313	556025758	/nfs/dbraw/zinc/02/57/58/556025758.db2.gz	IGHZGQSWFFHLER-FQEVSTJZSA-N	-1	0	453.543	3.864	50	0		JHAARM
COc1ccccc1CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000012552079	556034665	/nfs/dbraw/zinc/03/46/65/556034665.db2.gz	LUGSYSRADYIVII-UHFFFAOYSA-N	-1	0	478.530	3.823	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)c1	ZINC000012552207	556034951	/nfs/dbraw/zinc/03/49/51/556034951.db2.gz	JJRJCNPMLUMNGC-RUZDIDTESA-N	-1	0	495.601	3.818	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c1	ZINC000012560665	556053039	/nfs/dbraw/zinc/05/30/39/556053039.db2.gz	YMGFYWXWRIKQEU-INIZCTEOSA-N	-1	0	468.531	3.758	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccco2)N(C)C)c1	ZINC000012858085	556118750	/nfs/dbraw/zinc/11/87/50/556118750.db2.gz	JFRLLLPJLSNFEU-LJQANCHMSA-N	-1	0	477.970	3.775	50	0		JHAARM
C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)o1	ZINC000024750973	556149440	/nfs/dbraw/zinc/14/94/40/556149440.db2.gz	UKYCNFDFYIMOHY-KDOFPFPSSA-N	-1	0	480.546	3.646	50	0		JHAARM
O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCCc1c[nH]c2ccccc12	ZINC000016848420	556169973	/nfs/dbraw/zinc/16/99/73/556169973.db2.gz	FIWFRTZPKOQLRX-UHFFFAOYSA-N	-1	0	472.567	3.856	50	0		JHAARM
COc1ccc(C=CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1OC	ZINC000017011745	556201382	/nfs/dbraw/zinc/20/13/82/556201382.db2.gz	FNSRAILXFXJMQH-BENRWUELSA-N	-1	0	497.515	3.684	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OC)cc1	ZINC000013055687	556250093	/nfs/dbraw/zinc/25/00/93/556250093.db2.gz	IBHOKPADIRHXJO-INIZCTEOSA-N	-1	0	484.530	3.689	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)C1	ZINC000013100545	556299807	/nfs/dbraw/zinc/29/98/07/556299807.db2.gz	JRLUUFLSTAZDMM-KRWDZBQOSA-N	-1	0	454.552	3.519	50	0		JHAARM
Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)OCCNC(=O)Nc1ccccc1	ZINC000028628422	556337927	/nfs/dbraw/zinc/33/79/27/556337927.db2.gz	GRXSZEVMEXTVCY-UHFFFAOYSA-N	-1	0	489.579	3.931	50	0		JHAARM
COc1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000029854546	556359247	/nfs/dbraw/zinc/35/92/47/556359247.db2.gz	DDVZTSMWPQAEKY-NRFANRHFSA-N	-1	0	470.478	3.875	50	0		JHAARM
O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(CCNc2cc(=O)oc3ccccc23)CC1	ZINC000031807107	556405091	/nfs/dbraw/zinc/40/50/91/556405091.db2.gz	DRXGISLOCZEWCZ-DEOSSOPVSA-N	-1	0	480.952	3.783	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(NC(C)=O)ccc2C)cc1	ZINC000032717127	556473625	/nfs/dbraw/zinc/47/36/25/556473625.db2.gz	ZDQNYPWLKPGQFX-UHFFFAOYSA-N	-1	0	481.574	3.735	50	0		JHAARM
CC(C)N(C(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(C)C	ZINC000032774295	556490778	/nfs/dbraw/zinc/49/07/78/556490778.db2.gz	FSURNJOHTUMFCB-INIZCTEOSA-N	-1	0	450.532	3.817	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1	ZINC000032961908	556579709	/nfs/dbraw/zinc/57/97/09/556579709.db2.gz	BIINMLZLLSSITE-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
O=C1N/C(=C/c2cc(Br)c([O-])c(I)c2)C(=O)N1Cc1ccccc1	ZINC000008461788	569591790	/nfs/dbraw/zinc/59/17/90/569591790.db2.gz	ULFUZZKHLQAQFX-RIYZIHGNSA-N	-1	0	499.102	3.852	50	0		JHAARM
COc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000062279574	569610530	/nfs/dbraw/zinc/61/05/30/569610530.db2.gz	ONASUABPWMRBKL-QHCPKHFHSA-N	-1	0	479.602	3.933	50	0		JHAARM
O=C(COc1ccc(F)cc1Br)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000032999870	569613876	/nfs/dbraw/zinc/61/38/76/569613876.db2.gz	SFFSIMSRKVRELN-UHFFFAOYSA-N	-1	0	486.344	3.863	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)cc2C(=O)[O-])cc1	ZINC000033006953	569615048	/nfs/dbraw/zinc/61/50/48/569615048.db2.gz	SGKJHIRWYOEQJI-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
O=C([O-])c1cc(N2CCN(Cc3ccccc3F)CC2)ccc1NS(=O)(=O)Cc1ccccc1	ZINC000033006989	569615075	/nfs/dbraw/zinc/61/50/75/569615075.db2.gz	DSDOBQUDZGQBBD-UHFFFAOYSA-N	-1	0	483.565	3.788	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2C(=O)[O-])cc1	ZINC000063620102	569615702	/nfs/dbraw/zinc/61/57/02/569615702.db2.gz	YBGNUWDFISWHPI-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(Br)cc5)c(=O)c3=4)n2)cc1C	ZINC000064565391	569618796	/nfs/dbraw/zinc/61/87/96/569618796.db2.gz	BYNUUSRVVUVWSW-MSOLQXFVSA-N	-1	0	481.310	3.609	50	0		JHAARM
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Br)c2)[n-]c1=O	ZINC000064774882	569627136	/nfs/dbraw/zinc/62/71/36/569627136.db2.gz	VMAQRMUCMBHWLC-UHFFFAOYSA-N	-1	0	474.340	3.696	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccccc3OC)c1)NC(=O)CCC2=O	ZINC000065020757	569648326	/nfs/dbraw/zinc/64/83/26/569648326.db2.gz	IROONWQBKKFURJ-UHFFFAOYSA-N	-1	0	498.561	3.693	50	0		JHAARM
CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3cccc(OC)c3)c(OC)c2)[n-]c1=O	ZINC000034766721	569658626	/nfs/dbraw/zinc/65/86/26/569658626.db2.gz	LYPOAZLXEZKONQ-MRXNPFEDSA-N	-1	0	466.538	3.688	50	0		JHAARM
COc1ccccc1CCNC(=O)CCc1nnc(-c2ccc(OCC(C)C)c(OC)c2)[n-]c1=O	ZINC000034767278	569658713	/nfs/dbraw/zinc/65/87/13/569658713.db2.gz	RGYVAGJCINYJDB-UHFFFAOYSA-N	-1	0	480.565	3.588	50	0		JHAARM
O=C([O-])[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000034781584	569659154	/nfs/dbraw/zinc/65/91/54/569659154.db2.gz	ZVLMWTPNDXNXSZ-IBGZPJMESA-N	-1	0	464.440	3.827	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)c2)no1)N1CCCC1	ZINC000065097446	569661225	/nfs/dbraw/zinc/66/12/25/569661225.db2.gz	COVPKMYSFDHSES-UHFFFAOYSA-N	-1	0	456.908	3.627	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1	ZINC000065116226	569666458	/nfs/dbraw/zinc/66/64/58/569666458.db2.gz	HKOMGIIOWZXLJX-UHFFFAOYSA-N	-1	0	472.523	3.630	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)c1	ZINC000065116726	569666658	/nfs/dbraw/zinc/66/66/58/569666658.db2.gz	PUBPWCZYTQUUSY-UHFFFAOYSA-N	-1	0	474.564	3.736	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-]	ZINC000035397783	569688267	/nfs/dbraw/zinc/68/82/67/569688267.db2.gz	IZDOOCRCXJBXKU-UHFFFAOYSA-N	-1	0	499.637	3.925	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1	ZINC000035399170	569689701	/nfs/dbraw/zinc/68/97/01/569689701.db2.gz	YXRWLFKYKJPMEJ-UHFFFAOYSA-N	-1	0	485.606	3.568	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](C)Nc1ccccc1OC	ZINC000072191495	569699915	/nfs/dbraw/zinc/69/99/15/569699915.db2.gz	QSIMKTVYFUKYIN-AWEZNQCLSA-N	-1	0	455.540	3.909	50	0		JHAARM
CC(C)[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C	ZINC000072191530	569699958	/nfs/dbraw/zinc/69/99/58/569699958.db2.gz	COPWPTXCXATKBJ-IBGZPJMESA-N	-1	0	485.541	3.510	50	0		JHAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2	ZINC000035587819	569705017	/nfs/dbraw/zinc/70/50/17/569705017.db2.gz	SXHNQBGSOJMTFY-UHFFFAOYSA-N	-1	0	476.551	3.777	50	0		JHAARM
O=C(C[C@H](c1cccc(O)c1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096114223	569733238	/nfs/dbraw/zinc/73/32/38/569733238.db2.gz	CIMXJXULCKARBA-HXUWFJFHSA-N	-1	0	487.508	3.958	50	0	biogenic	JHAARM
COc1ccc(-c2c3c(sc2C(=O)[O-])[C@]2(CC(=O)N3)c3ccc(F)cc3N(C)C2=O)cc1	ZINC000036366195	569772930	/nfs/dbraw/zinc/77/29/30/569772930.db2.gz	BPWKPCMBMPTEHF-QHCPKHFHSA-N	-1	0	452.463	3.866	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(Br)cc5)c(=O)c3=4)n2)cc1C	ZINC000101076268	569781751	/nfs/dbraw/zinc/78/17/51/569781751.db2.gz	BYNUUSRVVUVWSW-ROUUACIJSA-N	-1	0	481.310	3.609	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)c1	ZINC000101110839	569783202	/nfs/dbraw/zinc/78/32/02/569783202.db2.gz	KRFOLIYRPCZLPE-RBUKOAKNSA-N	-1	0	451.870	3.805	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Cl)c5)oc4C)c=3c2=O)c1	ZINC000101110853	569783212	/nfs/dbraw/zinc/78/32/12/569783212.db2.gz	KRFOLIYRPCZLPE-MOPGFXCFSA-N	-1	0	451.870	3.805	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000101174401	569786004	/nfs/dbraw/zinc/78/60/04/569786004.db2.gz	GKPHNLBMVNMGAK-ZEQRLZLVSA-N	-1	0	469.501	3.973	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101262705	569788407	/nfs/dbraw/zinc/78/84/07/569788407.db2.gz	CSIMXYTVCAQPCO-MOPGFXCFSA-N	-1	0	484.875	3.810	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C(F)(F)F)c4)c=3c2=O)cc1	ZINC000101417048	569797382	/nfs/dbraw/zinc/79/73/82/569797382.db2.gz	LWCBTLDTSUMBNK-MOPGFXCFSA-N	-1	0	459.428	3.761	50	0		JHAARM
CC(=O)Nc1ccc(N2C(=O)C[C@@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1	ZINC000101503347	569801059	/nfs/dbraw/zinc/80/10/59/569801059.db2.gz	KKIJYKVLKYSJDO-INIZCTEOSA-N	-1	0	461.503	3.502	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1OC	ZINC000101893395	569807571	/nfs/dbraw/zinc/80/75/71/569807571.db2.gz	OSKCRQXTSWXGFY-WOJBJXKFSA-N	-1	0	496.911	3.599	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1	ZINC000102290094	569811975	/nfs/dbraw/zinc/81/19/75/569811975.db2.gz	NYQRIIBVZOIWTG-BGYRXZFFSA-N	-1	0	456.564	3.788	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)c1	ZINC000102479097	569813449	/nfs/dbraw/zinc/81/34/49/569813449.db2.gz	GSSZRAKBQSDWEZ-MOPGFXCFSA-N	-1	0	451.870	3.805	50	0		JHAARM
CCOC(=O)C(=C(O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1nc(C)cs1	ZINC000103034033	569832230	/nfs/dbraw/zinc/83/22/30/569832230.db2.gz	PHOCMPPNCPMKDW-HNNXBMFYSA-N	-1	0	450.973	3.909	50	0		JHAARM
Cc1cc2nc(COc3cc(C)ccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc(=O)n2o1	ZINC000046048036	569843140	/nfs/dbraw/zinc/84/31/40/569843140.db2.gz	FHFZGYUPTXEGMN-UHFFFAOYSA-N	-1	0	459.911	3.938	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4C[C@H](C)C[C@H](C)[C@H]43)C2=O)cc1	ZINC000248134833	570075146	/nfs/dbraw/zinc/07/51/46/570075146.db2.gz	MHYIXUUGVOGOGQ-RAOBKIGBSA-N	-1	0	451.498	3.511	50	0		JHAARM
O=C(C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)oc2ccccc2c1[O-])NCc1ccc2c(c1)OCO2	ZINC000253470768	570099170	/nfs/dbraw/zinc/09/91/70/570099170.db2.gz	CVXGRKXCHTUPQA-SFHVURJKSA-N	-1	0	487.464	3.794	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1)CN(C(=O)c1ccc(F)cc1F)CC2	ZINC000299778902	570176348	/nfs/dbraw/zinc/17/63/48/570176348.db2.gz	SOTHKSXWZZDTBS-UHFFFAOYSA-N	-1	0	492.525	3.812	50	0		JHAARM
O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000328589135	570178975	/nfs/dbraw/zinc/17/89/75/570178975.db2.gz	LUGNKMAPUHAWDO-UHFFFAOYSA-N	-1	0	492.553	3.640	50	0		JHAARM
CCOc1ccc(NC(=S)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)cc1	ZINC000001049589	194009513	/nfs/dbraw/zinc/00/95/13/194009513.db2.gz	NDOFRLHJFQJEGS-UHFFFAOYSA-N	-1	0	498.580	3.776	50	0		JHAARM
CCOc1nc(NC(=O)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)n1	ZINC000001075212	194017955	/nfs/dbraw/zinc/01/79/55/194017955.db2.gz	OOKLMNFINMSNRS-UHFFFAOYSA-N	-1	0	468.322	3.755	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc(Br)cc3)cc2)n1	ZINC000001088659	194021807	/nfs/dbraw/zinc/02/18/07/194021807.db2.gz	CKLMNEQKVCKMIB-UHFFFAOYSA-N	-1	0	461.341	3.530	50	0		JHAARM
CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(I)cc3C(=O)[O-])cc2C1=O	ZINC000001201450	194068822	/nfs/dbraw/zinc/06/88/22/194068822.db2.gz	ZQTFWKNTWXIXQK-UHFFFAOYSA-N	-1	0	492.269	3.636	50	0		JHAARM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	ZINC000001786950	194140134	/nfs/dbraw/zinc/14/01/34/194140134.db2.gz	HFGXHQKOJOFFOH-PMACEKPBSA-N	-1	0	467.861	3.814	50	0		JHAARM
O=C([O-])[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	ZINC000001786952	194140138	/nfs/dbraw/zinc/14/01/38/194140138.db2.gz	HFGXHQKOJOFFOH-UXHICEINSA-N	-1	0	467.861	3.814	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCC(=O)NCc3ccc(OC)cc3)c(=O)c2cc1OCC	ZINC000003010325	194203832	/nfs/dbraw/zinc/20/38/32/194203832.db2.gz	ONAHMTVEBZDWKZ-UHFFFAOYSA-N	-1	0	457.552	3.572	50	0		JHAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1	ZINC000003232025	194246353	/nfs/dbraw/zinc/24/63/53/194246353.db2.gz	UGNWQGOQGHEAAP-UHFFFAOYSA-N	-1	0	466.544	3.678	50	0		JHAARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCc2ccccc2)cc1	ZINC000003316132	194278930	/nfs/dbraw/zinc/27/89/30/194278930.db2.gz	CZUPVXJIFWOHGS-UHFFFAOYSA-N	-1	0	452.532	3.637	50	0		JHAARM
COc1ccccc1NC(=O)C(=Cc1ccc(OCC(=O)[O-])cc1)C(=O)Nc1ccccc1OC	ZINC000003418088	194317686	/nfs/dbraw/zinc/31/76/86/194317686.db2.gz	FZRYJBKISZCPOA-UHFFFAOYSA-N	-1	0	476.485	3.828	50	0		JHAARM
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1	ZINC000006298954	194424237	/nfs/dbraw/zinc/42/42/37/194424237.db2.gz	IEVMCWZJCFFHPB-OIISXLGYSA-N	-1	0	453.564	3.803	50	0		JHAARM
CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC[C@H]4C(=O)[O-])c12)OC(C)(C)CC3	ZINC000008877145	194489326	/nfs/dbraw/zinc/48/93/26/194489326.db2.gz	CNIQBOIAFPJSOT-KRWDZBQOSA-N	-1	0	457.523	3.694	50	0	biogenic	JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C	ZINC000009305049	194676842	/nfs/dbraw/zinc/67/68/42/194676842.db2.gz	AUBDUUHIGJMJFR-FQEVSTJZSA-N	-1	0	481.578	3.854	50	0		JHAARM
O=C([O-])c1cc2c(cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCC3)c1)OCCCO2	ZINC000009874913	195008128	/nfs/dbraw/zinc/00/81/28/195008128.db2.gz	WIPGLCUEHLMPFI-UHFFFAOYSA-N	-1	0	494.953	3.626	50	0		JHAARM
C[C@@H](C(=O)[O-])n1c(SCC(=O)N(C)CCOc2ccc(Cl)cc2)nnc1-c1cccs1	ZINC000012743247	195101682	/nfs/dbraw/zinc/10/16/82/195101682.db2.gz	BPEOTWAJFANWEG-ZDUSSCGKSA-N	-1	0	480.999	3.935	50	0		JHAARM
COc1ccc2cc(/C=C(\C(=O)[O-])c3ccc(S(=O)(=O)N4CCOCC4)s3)ccc2c1	ZINC000012752993	195107098	/nfs/dbraw/zinc/10/70/98/195107098.db2.gz	JIQIKPUXGRCOHD-UYRXBGFRSA-N	-1	0	459.545	3.556	50	0		JHAARM
CC(C)C[C@H](NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)[O-]	ZINC000012764511	195112774	/nfs/dbraw/zinc/11/27/74/195112774.db2.gz	HCZVLPPFOIKRJI-HNNXBMFYSA-N	-1	0	452.964	3.553	50	0		JHAARM
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1	ZINC000012771574	195117999	/nfs/dbraw/zinc/11/79/99/195117999.db2.gz	YDERDDAJMGRWSR-UHFFFAOYSA-N	-1	0	478.570	3.770	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCCCC(=O)NCc3ccccn3)c(=O)c2cc1OCC	ZINC000020644734	195194869	/nfs/dbraw/zinc/19/48/69/195194869.db2.gz	IUGTTXLOKFAGTQ-UHFFFAOYSA-N	-1	0	456.568	3.738	50	0		JHAARM
C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)C[C@@H](C)O1	ZINC000021060581	195273556	/nfs/dbraw/zinc/27/35/56/195273556.db2.gz	KJSJELKVROBGQZ-HZPDHXFCSA-N	-1	0	498.020	3.898	50	0		JHAARM
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000014632625	518840059	/nfs/dbraw/zinc/84/00/59/518840059.db2.gz	FJEXPICLVWOJSE-BTYIYWSLSA-N	-1	0	452.507	3.988	50	0		JHAARM
CC(C)COc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[n-]2)cc1	ZINC000034763989	519762101	/nfs/dbraw/zinc/76/21/01/519762101.db2.gz	CHTIVDFEBJVKRS-UHFFFAOYSA-N	-1	0	479.556	3.700	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(-c3c(CC)nn4c3NC(=O)CCC4=O)ccc2OC)cc1	ZINC000033276728	521130510	/nfs/dbraw/zinc/13/05/10/521130510.db2.gz	MCPWOZKYMDSPSJ-UHFFFAOYSA-N	-1	0	498.561	3.693	50	0		JHAARM
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1C	ZINC000022467323	521750133	/nfs/dbraw/zinc/75/01/33/521750133.db2.gz	RLUNWWRJJOVMRG-CQSZACIVSA-N	-1	0	490.559	3.709	50	0		JHAARM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(C)=O	ZINC000024372178	521776578	/nfs/dbraw/zinc/77/65/78/521776578.db2.gz	WLBCNKUNVLVRAG-UHFFFAOYSA-N	-1	0	459.749	3.821	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1cccc(C)c1)CN(C(=O)CCC(C)C)CC2	ZINC000012453941	521790982	/nfs/dbraw/zinc/79/09/82/521790982.db2.gz	XEDZJLUWXDTMGE-UHFFFAOYSA-N	-1	0	464.609	3.965	50	0		JHAARM
COc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3cc(C)ccc3NC(C)=O)c(=O)[n-]2)cc(OC)c1	ZINC000021882674	522705682	/nfs/dbraw/zinc/70/56/82/522705682.db2.gz	IDNCCIHAKQFJCM-CYBMUJFWSA-N	-1	0	483.550	3.648	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c1)NC(=O)CCC2=O	ZINC000033276754	522707598	/nfs/dbraw/zinc/70/75/98/522707598.db2.gz	XJPNWIGVYKMXPL-UHFFFAOYSA-N	-1	0	486.525	3.742	50	0		JHAARM
COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000022626294	522920866	/nfs/dbraw/zinc/92/08/66/522920866.db2.gz	CCQOEDUZTWMODN-HNNXBMFYSA-N	-1	0	465.373	3.542	50	0		JHAARM
COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc(OC)c1OC	ZINC000023158022	522951365	/nfs/dbraw/zinc/95/13/65/522951365.db2.gz	IFKHJYZMEFGHLK-OAQYLSRUSA-N	-1	0	495.605	3.742	50	0		JHAARM
COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000033170678	523436817	/nfs/dbraw/zinc/43/68/17/523436817.db2.gz	LXAIIEXNXZRSEY-YVMONPNESA-N	-1	0	485.518	3.692	50	0		JHAARM
CCc1cc(Sc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2)n2ncnc2n1	ZINC000033122331	523841797	/nfs/dbraw/zinc/84/17/97/523841797.db2.gz	XSRBOKWAKUDQPE-UHFFFAOYSA-N	-1	0	471.564	3.656	50	0		JHAARM
COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)c1	ZINC000023157923	524105238	/nfs/dbraw/zinc/10/52/38/524105238.db2.gz	JPJHLIUSXZYERR-FQEVSTJZSA-N	-1	0	453.543	3.864	50	0		JHAARM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nnc(-c4cccc(Br)c4)n3n2)c1	ZINC000033277247	524194531	/nfs/dbraw/zinc/19/45/31/524194531.db2.gz	LBVKITGBLDEBEW-UHFFFAOYSA-N	-1	0	458.341	3.971	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000016426644	524551156	/nfs/dbraw/zinc/55/11/56/524551156.db2.gz	MLCUOPURHQGNLU-UHFFFAOYSA-N	-1	0	465.575	3.767	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)cc1OC	ZINC000033307955	524684366	/nfs/dbraw/zinc/68/43/66/524684366.db2.gz	SFSJCHGQWPNDGW-UHFFFAOYSA-N	-1	0	465.535	3.764	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCCc4ccccc4)CC3)cc2)c1	ZINC000033274597	524878248	/nfs/dbraw/zinc/87/82/48/524878248.db2.gz	XUKDLTKZFGMTMR-UHFFFAOYSA-N	-1	0	480.586	3.895	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)c1	ZINC000033274524	524879024	/nfs/dbraw/zinc/87/90/24/524879024.db2.gz	JTWYEHYHJVWBKV-UHFFFAOYSA-N	-1	0	466.559	3.853	50	0		JHAARM
C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000008660761	524902190	/nfs/dbraw/zinc/90/21/90/524902190.db2.gz	JPFVMXRPOCQYFR-NSDYXAQKSA-N	-1	0	488.635	3.604	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)NC(=O)Cc3cccc4ccccc43)cc2)no1	ZINC000002641934	525287006	/nfs/dbraw/zinc/28/70/06/525287006.db2.gz	BQKCSSFADGRZLX-KRWDZBQOSA-N	-1	0	492.557	3.623	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)n1	ZINC000002469720	525695664	/nfs/dbraw/zinc/69/56/64/525695664.db2.gz	TZRQFIIDVGKPRN-UHFFFAOYSA-N	-1	0	471.589	3.926	50	0		JHAARM
CSC[C@H](NC(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2)C(=O)[O-]	ZINC000012297062	525700677	/nfs/dbraw/zinc/70/06/77/525700677.db2.gz	LKJMJCPFBMOFLA-SFHVURJKSA-N	-1	0	497.569	3.875	50	0	biogenic	JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1N1CCC([NH+]2CCCCC2)CC1	ZINC000033253610	526352271	/nfs/dbraw/zinc/35/22/71/526352271.db2.gz	BIQDZCHDPYBMAR-UHFFFAOYSA-N	-1	0	479.549	3.919	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2Cl)ccc1N1CCN(c2ccccn2)CC1	ZINC000033253035	526354541	/nfs/dbraw/zinc/35/45/41/526354541.db2.gz	OHWSWMWJLVIFSB-UHFFFAOYSA-N	-1	0	472.954	3.561	50	0		JHAARM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3OCC(F)(F)F)cc2o1	ZINC000012507864	527443227	/nfs/dbraw/zinc/44/32/27/527443227.db2.gz	CELWHRPKPPWEHR-UHFFFAOYSA-N	-1	0	456.320	3.882	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000033253686	527621547	/nfs/dbraw/zinc/62/15/47/527621547.db2.gz	XAIIQPVTEQDDIS-UHFFFAOYSA-N	-1	0	470.595	3.913	50	0		JHAARM
O=C(COc1ccccc1Br)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000000943119	553877853	/nfs/dbraw/zinc/87/78/53/553877853.db2.gz	PQZRQVMVAXBRIS-UHFFFAOYSA-N	-1	0	468.354	3.724	50	0		JHAARM
[O-]C(c1cccs1)=C1[C@@H](c2ccc(Br)cc2)NC(=S)N[C@]1(O)C(F)(F)F	ZINC000000943993	553878096	/nfs/dbraw/zinc/87/80/96/553878096.db2.gz	FOHCEMWNWDBGGA-YWPYICTPSA-N	-1	0	465.316	3.779	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)nc(OC)n1	ZINC000000953394	553882392	/nfs/dbraw/zinc/88/23/92/553882392.db2.gz	GAXHCRNGTADFSO-UHFFFAOYSA-N	-1	0	483.333	3.854	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3Br)cc2)no1	ZINC000001167466	553921031	/nfs/dbraw/zinc/92/10/31/553921031.db2.gz	OQLNVFKKZNPSBD-UHFFFAOYSA-N	-1	0	480.340	3.872	50	0		JHAARM
CCOC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002050583	554010804	/nfs/dbraw/zinc/01/08/04/554010804.db2.gz	MEFINNBSDKGREX-UHFFFAOYSA-N	-1	0	490.382	3.763	50	0		JHAARM
Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc12	ZINC000002105579	554046120	/nfs/dbraw/zinc/04/61/20/554046120.db2.gz	SKIXMKPOJFKOBJ-IBGZPJMESA-N	-1	0	455.532	3.551	50	0	biogenic	JHAARM
O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000002316299	554145768	/nfs/dbraw/zinc/14/57/68/554145768.db2.gz	GIYNEXDLQBBVRD-UHFFFAOYSA-N	-1	0	466.997	3.653	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CC[C@H](Cc4ccc(OC)c(OC)c4)O3)cc21	ZINC000002323981	554148439	/nfs/dbraw/zinc/14/84/39/554148439.db2.gz	APYPZMARWLPBIL-OAHLLOKOSA-N	-1	0	456.470	3.629	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)nc(C)n1	ZINC000002369357	554169694	/nfs/dbraw/zinc/16/96/94/554169694.db2.gz	NTQAFNWAXKBSOX-UHFFFAOYSA-N	-1	0	491.367	3.674	50	0		JHAARM
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000002385642	554177525	/nfs/dbraw/zinc/17/75/25/554177525.db2.gz	FJEXPICLVWOJSE-YCRPNKLZSA-N	-1	0	452.507	3.988	50	0		JHAARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Br)CC[C@H](C(C)(C)C)C3	ZINC000002777925	554340317	/nfs/dbraw/zinc/34/03/17/554340317.db2.gz	QEOBTAZISMPOGD-NSHDSACASA-N	-1	0	478.416	3.797	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1	ZINC000002787056	554344851	/nfs/dbraw/zinc/34/48/51/554344851.db2.gz	JSOILPXPWOPUOV-CVEARBPZSA-N	-1	0	497.136	3.688	50	0		JHAARM
COc1ccc(CCNC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)cc1OC	ZINC000002970335	554414049	/nfs/dbraw/zinc/41/40/49/554414049.db2.gz	GEGFIPPRHKQXHZ-UHFFFAOYSA-N	-1	0	455.580	3.996	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCc2ccccc2C1	ZINC000002974385	554415023	/nfs/dbraw/zinc/41/50/23/554415023.db2.gz	RYBNRSNRAJJBOO-UHFFFAOYSA-N	-1	0	451.548	3.933	50	0		JHAARM
CC(C)C[C@H](NC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000005023330	554485692	/nfs/dbraw/zinc/48/56/92/554485692.db2.gz	GFHCAHUZQJBAMZ-SFTDATJTSA-N	-1	0	458.580	3.830	50	0		JHAARM
O=C([O-])c1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Br)cc3)c2)cc1	ZINC000006166217	554513925	/nfs/dbraw/zinc/51/39/25/554513925.db2.gz	NWRIRHGXGRXAPQ-UHFFFAOYSA-N	-1	0	496.360	3.781	50	0		JHAARM
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000006576840	554552008	/nfs/dbraw/zinc/55/20/08/554552008.db2.gz	YTMIKUOTNPXFGS-ZDXQCDESSA-N	-1	0	460.486	3.764	50	0		JHAARM
O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000008741786	554644367	/nfs/dbraw/zinc/64/43/67/554644367.db2.gz	HUULPMZFKSWNQA-VIZSFHNOSA-N	-1	0	471.435	3.765	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000008826149	554715419	/nfs/dbraw/zinc/71/54/19/554715419.db2.gz	AEGQPVNRGTXIKX-UHFFFAOYSA-N	-1	0	469.538	3.598	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccccc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl	ZINC000008881281	554776452	/nfs/dbraw/zinc/77/64/52/554776452.db2.gz	JBGNLHIOAJGASV-UHFFFAOYSA-N	-1	0	451.806	3.930	50	0		JHAARM
CS(=O)(=O)c1ccc2nc([N-]C(NC(=O)c3cccnc3)(C(F)(F)F)C(F)(F)F)sc2c1	ZINC000008968876	554842987	/nfs/dbraw/zinc/84/29/87/554842987.db2.gz	OFOCMGVOELYOBP-UHFFFAOYSA-N	-1	0	498.430	3.758	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c1	ZINC000009172407	554954143	/nfs/dbraw/zinc/95/41/43/554954143.db2.gz	YTCIZRNHWBRTPC-UHFFFAOYSA-N	-1	0	462.568	3.912	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)Cc3ccccc3OC)ccc2OC)cc1	ZINC000009217068	554985512	/nfs/dbraw/zinc/98/55/12/554985512.db2.gz	DBHJBRAZZZSJRJ-UHFFFAOYSA-N	-1	0	456.520	3.694	50	0		JHAARM
O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009222891	554992760	/nfs/dbraw/zinc/99/27/60/554992760.db2.gz	KELDSLNPPISTAO-UHFFFAOYSA-N	-1	0	469.523	3.721	50	0		JHAARM
O=C(COc1ccccc1-c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009491377	555268651	/nfs/dbraw/zinc/26/86/51/555268651.db2.gz	CKBBEEPVXAYIFZ-UHFFFAOYSA-N	-1	0	460.515	3.962	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F	ZINC000009540157	555332792	/nfs/dbraw/zinc/33/27/92/555332792.db2.gz	WNPNEQUKHLNMBB-UHFFFAOYSA-N	-1	0	478.514	3.689	50	0		JHAARM
COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1C	ZINC000009637499	555345032	/nfs/dbraw/zinc/34/50/32/555345032.db2.gz	PNLAEVOWIKFESG-CQSZACIVSA-N	-1	0	490.559	3.709	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cc(Cl)c(OC)cc3OC)c2)on1	ZINC000009637543	555345250	/nfs/dbraw/zinc/34/52/50/555345250.db2.gz	MNVFGIQIHNXKPE-UHFFFAOYSA-N	-1	0	496.925	3.998	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1ccccc1F	ZINC000009569304	555366404	/nfs/dbraw/zinc/36/64/04/555366404.db2.gz	CQISWBUERRQWHY-UHFFFAOYSA-N	-1	0	464.515	3.907	50	0		JHAARM
COc1cc(OC)c(NC(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1Cl	ZINC000013348707	555378542	/nfs/dbraw/zinc/37/85/42/555378542.db2.gz	ANDYDLCWEZGZAA-UHFFFAOYSA-N	-1	0	456.933	3.982	50	0		JHAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1	ZINC000013402488	555396070	/nfs/dbraw/zinc/39/60/70/555396070.db2.gz	BDISGVXVLAULNJ-IBGZPJMESA-N	-1	0	481.603	3.651	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000009674894	555400222	/nfs/dbraw/zinc/40/02/22/555400222.db2.gz	ADCAWRFKLSXPGH-YADHBBJMSA-N	-1	0	459.437	3.550	50	0		JHAARM
O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000009730438	555465837	/nfs/dbraw/zinc/46/58/37/555465837.db2.gz	MRDMIFIYJJASRI-UHFFFAOYSA-N	-1	0	488.616	3.648	50	0		JHAARM
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2cc(C(=O)[O-])ccc2OC)c(OC)c1	ZINC000013576019	555514958	/nfs/dbraw/zinc/51/49/58/555514958.db2.gz	OUZGXZVJCMADAA-BKUYFWCQSA-N	-1	0	476.485	3.820	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3cc(Cl)ccc3OC)cs2)cc1	ZINC000009828665	555526865	/nfs/dbraw/zinc/52/68/65/555526865.db2.gz	TVMUIRJAKCTJGY-UHFFFAOYSA-N	-1	0	467.956	3.796	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000009835817	555541087	/nfs/dbraw/zinc/54/10/87/555541087.db2.gz	YQNJSJQRCNIVPY-JKSUJKDBSA-N	-1	0	452.685	3.579	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NC[C@@H](O)c4ccccc4)cc3s2)cc1	ZINC000013729128	555602532	/nfs/dbraw/zinc/60/25/32/555602532.db2.gz	ZOEVSFJXTQFZRJ-HXUWFJFHSA-N	-1	0	483.571	3.569	50	0		JHAARM
O=C(NCCc1ccc(O)cc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000013732173	555604140	/nfs/dbraw/zinc/60/41/40/555604140.db2.gz	SHJJYTDNKWCELJ-UHFFFAOYSA-N	-1	0	453.545	3.775	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2nn(Cc3ccccc3F)cc2Br)c1	ZINC000020247701	555742049	/nfs/dbraw/zinc/74/20/49/555742049.db2.gz	FQVMXUOTTOIJEM-UHFFFAOYSA-N	-1	0	470.320	3.651	50	0		JHAARM
CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)[n-]2)cc1	ZINC000020355871	555784885	/nfs/dbraw/zinc/78/48/85/555784885.db2.gz	GQFIRYMVYCNZRM-UHFFFAOYSA-N	-1	0	457.577	3.513	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccccc4C)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883378	555857244	/nfs/dbraw/zinc/85/72/44/555857244.db2.gz	MVBDVEHRUWTUOJ-LJQANCHMSA-N	-1	0	480.590	3.913	50	0		JHAARM
COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccc(C)n4)cc3)no2)cc1	ZINC000011915045	555865872	/nfs/dbraw/zinc/86/58/72/555865872.db2.gz	YGTGFVCTYLRMBW-UHFFFAOYSA-N	-1	0	465.491	3.502	50	0		JHAARM
COCc1cc(C)nc2sc3c(c21)N[C@@H](c1c2cc(OC)ccc2[nH]c1C(=O)[O-])NC3=O	ZINC000015108025	555878046	/nfs/dbraw/zinc/87/80/46/555878046.db2.gz	SNJYXEVJHDHQLR-LJQANCHMSA-N	-1	0	452.492	3.793	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)N3CCC[C@@H](C)C3)nc2c1	ZINC000015221477	555885196	/nfs/dbraw/zinc/88/51/96/555885196.db2.gz	YWSSFAALFVOCOW-OAHLLOKOSA-N	-1	0	475.592	3.988	50	0		JHAARM
CN1C(=O)N[C@H](c2ccc(OC(F)F)cc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F	ZINC000012139933	555916475	/nfs/dbraw/zinc/91/64/75/555916475.db2.gz	UDYDMJVXEOHVTJ-PBFPGSCMSA-N	-1	0	450.385	3.796	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)c(F)c1)CN(C(=O)CCC(C)C)CC2	ZINC000012207135	555942308	/nfs/dbraw/zinc/94/23/08/555942308.db2.gz	KMAQVWFXQUZFEC-UHFFFAOYSA-N	-1	0	486.562	3.935	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000022854743	555961537	/nfs/dbraw/zinc/96/15/37/555961537.db2.gz	LZBCTJQBYNBQOP-QHCPKHFHSA-N	-1	0	493.633	3.983	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1SC[C@H]1CCCO1	ZINC000012541739	556016243	/nfs/dbraw/zinc/01/62/43/556016243.db2.gz	MOEPUPREEALDGO-QGZVFWFLSA-N	-1	0	470.576	3.801	50	0		JHAARM
Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3[N-]S(=O)(=O)c3cccs3)cnc12	ZINC000023194815	556030600	/nfs/dbraw/zinc/03/06/00/556030600.db2.gz	WUFIAQBKGNQUCN-UHFFFAOYSA-N	-1	0	468.560	3.596	50	0		JHAARM
CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)c2)nn1	ZINC000016975214	556193573	/nfs/dbraw/zinc/19/35/73/556193573.db2.gz	HYDFNLXMWUNNSV-UHFFFAOYSA-N	-1	0	458.348	3.655	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1	ZINC000017013663	556203451	/nfs/dbraw/zinc/20/34/51/556203451.db2.gz	UVDWILQVOQQAME-UHFFFAOYSA-N	-1	0	469.567	3.947	50	0		JHAARM
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)cc1	ZINC000017053520	556214064	/nfs/dbraw/zinc/21/40/64/556214064.db2.gz	AOOOUECGPFKAOA-UHFFFAOYSA-N	-1	0	483.532	3.822	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C3CC3)ccc2OC)cc1Cl	ZINC000025593790	556227194	/nfs/dbraw/zinc/22/71/94/556227194.db2.gz	BHTCWKAMCZJVEW-LBPRGKRZSA-N	-1	0	468.959	3.695	50	0		JHAARM
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2c1[C@H](C)CC2=O	ZINC000032909164	556532773	/nfs/dbraw/zinc/53/27/73/556532773.db2.gz	YWDXVKBYFOPUGN-CQSZACIVSA-N	-1	0	471.560	3.960	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2)cc1	ZINC000040017125	563136954	/nfs/dbraw/zinc/13/69/54/563136954.db2.gz	AWFJXPDAFOBTRJ-XMMPIXPASA-N	-1	0	465.575	3.723	50	0		JHAARM
COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](O)C(=O)[O-])cc1OC	ZINC000008700660	569593695	/nfs/dbraw/zinc/59/36/95/569593695.db2.gz	MOJTVXADORYNJC-ZEQRLZLVSA-N	-1	0	463.486	3.729	50	0		JHAARM
COCCCn1c(=O)c2ccc(C(=O)Nc3nc4ccccc4n3C(C)(C)C)cc2[n-]c1=S	ZINC000058357313	569602234	/nfs/dbraw/zinc/60/22/34/569602234.db2.gz	AEOFVMQRNZAKEI-UHFFFAOYSA-N	-1	0	465.579	4.453	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1	ZINC000032961995	569602728	/nfs/dbraw/zinc/60/27/28/569602728.db2.gz	WOCOTKXBWAVKCI-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)cc1C(=O)[O-]	ZINC000033007031	569615191	/nfs/dbraw/zinc/61/51/91/569615191.db2.gz	VBDFOROREJQJBO-UHFFFAOYSA-N	-1	0	451.548	3.821	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1	ZINC000064565335	569618825	/nfs/dbraw/zinc/61/88/25/569618825.db2.gz	OTMMIIAGKOSPOF-QZTJIDSGSA-N	-1	0	481.310	3.555	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccccc4)c(C(=O)[O-])c3)CC2)cc1	ZINC000064590075	569621204	/nfs/dbraw/zinc/62/12/04/569621204.db2.gz	PAZFULYCERFLPE-UHFFFAOYSA-N	-1	0	472.545	3.706	50	0		JHAARM
CC(C)C(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)[n-]c1=O	ZINC000064774555	569626757	/nfs/dbraw/zinc/62/67/57/569626757.db2.gz	MHOIBYORGZXNDL-UHFFFAOYSA-N	-1	0	459.478	3.848	50	0		JHAARM
COCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)nc1	ZINC000065063473	569656699	/nfs/dbraw/zinc/65/66/99/569656699.db2.gz	IARHFUFGANMSSC-UHFFFAOYSA-N	-1	0	467.956	3.766	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)N3CCCC3)c(=O)[n-]2)ccc1OCc1cccc(F)c1	ZINC000034766590	569658602	/nfs/dbraw/zinc/65/86/02/569658602.db2.gz	VKULBTADHJGWOK-UHFFFAOYSA-N	-1	0	452.486	3.526	50	0		JHAARM
Cc1sc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1cccc2ccccc21	ZINC000065097754	569661648	/nfs/dbraw/zinc/66/16/48/569661648.db2.gz	CIRRZRRQEKDAPS-UHFFFAOYSA-N	-1	0	484.559	3.533	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)ccc1C	ZINC000065318866	569673220	/nfs/dbraw/zinc/67/32/20/569673220.db2.gz	PFFGOCBIIDNMOC-UHFFFAOYSA-N	-1	0	476.942	3.744	50	0		JHAARM
CCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000035397414	569688067	/nfs/dbraw/zinc/68/80/67/569688067.db2.gz	DYOJJEZUDHMVJQ-UHFFFAOYSA-N	-1	0	489.594	3.658	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2Cl)cnc1N1CCC([NH+]2CCCCC2)CC1	ZINC000035397558	569688217	/nfs/dbraw/zinc/68/82/17/569688217.db2.gz	PBMIEISBSXAICO-UHFFFAOYSA-N	-1	0	479.002	3.689	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC([NH+]3CCCCC3)CC2)c(C)c1	ZINC000035397901	569688669	/nfs/dbraw/zinc/68/86/69/569688669.db2.gz	VHXXIWFPOHZZAO-UHFFFAOYSA-N	-1	0	472.611	3.652	50	0		JHAARM
CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccn(Cc4cccc5cccnc54)n3)cc2C[C@H]1C	ZINC000069949679	569694141	/nfs/dbraw/zinc/69/41/41/569694141.db2.gz	ZBGXLUGWQVIIRD-MRXNPFEDSA-N	-1	0	461.547	3.578	50	0		JHAARM
COC(=O)c1ccc(NC(=O)CSc2nnc([N-]C(=O)c3cc(-c4ccccc4)on3)s2)cc1	ZINC000070635146	569695303	/nfs/dbraw/zinc/69/53/03/569695303.db2.gz	LTSPJXLLIZHBNW-UHFFFAOYSA-N	-1	0	495.542	3.963	50	0		JHAARM
CNC(=O)c1ccc(CN(C)C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])cc1	ZINC000083882280	569708700	/nfs/dbraw/zinc/70/87/00/569708700.db2.gz	DCZKEERIICCSOD-UHFFFAOYSA-N	-1	0	457.939	3.991	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1	ZINC000085652132	569714063	/nfs/dbraw/zinc/71/40/63/569714063.db2.gz	IXJHEXMJJRAKRS-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)N4N=C(c5ccccc5)C[C@H]4c4ccccc4)c=3c2=O)cc1	ZINC000100859237	569772622	/nfs/dbraw/zinc/77/26/22/569772622.db2.gz	KNFBOQNCFIDGFB-AYRHNUGRSA-N	-1	0	492.539	3.666	50	0		JHAARM
COc1cc(C=C2NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000036370319	569773321	/nfs/dbraw/zinc/77/33/21/569773321.db2.gz	CVPOWBUSKMAPQR-ZSOIEALJSA-N	-1	0	463.309	3.595	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000101165861	569785543	/nfs/dbraw/zinc/78/55/43/569785543.db2.gz	JUKALPLQGZRLPF-HOTGVXAUSA-N	-1	0	452.685	3.579	50	0		JHAARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1	ZINC000101505267	569801196	/nfs/dbraw/zinc/80/11/96/569801196.db2.gz	BBLNHHCUUIOZGS-UHFFFAOYSA-N	-1	0	459.575	3.901	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C	ZINC000101628053	569801942	/nfs/dbraw/zinc/80/19/42/569801942.db2.gz	UNVCJBUIFIWDKF-KDURUIRLSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1ccc(C(C)C)cc1	ZINC000101764988	569803827	/nfs/dbraw/zinc/80/38/27/569803827.db2.gz	ZWQXPSLYCFOEOM-HXUWFJFHSA-N	-1	0	452.555	3.959	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Br)c2)cc1	ZINC000101836079	569805878	/nfs/dbraw/zinc/80/58/78/569805878.db2.gz	OABRGZIPZZZGPN-SFHVURJKSA-N	-1	0	469.295	3.890	50	0		JHAARM
COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2cccc(Cl)c2)cc1OC	ZINC000101836605	569805987	/nfs/dbraw/zinc/80/59/87/569805987.db2.gz	JPEQVAFOEJVBFF-KRWDZBQOSA-N	-1	0	454.870	3.789	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1Cl	ZINC000102290295	569812189	/nfs/dbraw/zinc/81/21/89/569812189.db2.gz	CXNBUISPDYKULT-CALCHBBNSA-N	-1	0	492.981	3.833	50	0		JHAARM
COc1ccc(C(=O)OCc2nnsc2Cl)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000040024282	569814084	/nfs/dbraw/zinc/81/40/84/569814084.db2.gz	JGFLVYVCCTXTGG-UHFFFAOYSA-N	-1	0	453.929	3.666	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@@H](C)N3C(C)=O)c1	ZINC000040450595	569828742	/nfs/dbraw/zinc/82/87/42/569828742.db2.gz	NVBGXUDNZRSOGR-GFCCVEGCSA-N	-1	0	481.368	3.724	50	0		JHAARM
COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cc(OC)c(OC)c(OC)c2)CC(=O)N3)c1	ZINC000049543211	569848366	/nfs/dbraw/zinc/84/83/66/569848366.db2.gz	QDTIRJSBUVCTSP-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-])cc3)C2=O)cc1	ZINC000113471385	569861824	/nfs/dbraw/zinc/86/18/24/569861824.db2.gz	KRKTZSAUUNDBTP-HKBOAZHASA-N	-1	0	480.542	3.725	50	0		JHAARM
COc1ccc(OC)c([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)CCCC(=O)[O-])c1	ZINC000170615632	569872938	/nfs/dbraw/zinc/87/29/38/569872938.db2.gz	XOSOGDPGEVOHCR-OAQYLSRUSA-N	-1	0	456.495	3.654	50	0		JHAARM
Cc1ccc([C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)C2CC2)cc1	ZINC000241644190	570053268	/nfs/dbraw/zinc/05/32/68/570053268.db2.gz	PPALMARNYLPSBB-LJQANCHMSA-N	-1	0	471.804	3.957	50	0		JHAARM
COC(=O)N=CN(NC(=O)OC)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1	ZINC000252625386	570088270	/nfs/dbraw/zinc/08/82/70/570088270.db2.gz	QIZZYSPTSGHAOC-UHFFFAOYSA-N	-1	0	455.254	3.823	50	0		JHAARM
COc1ccc(CCNC(=O)C[C@H](c2ccc(OC)c(OC)c2OC)c2c([O-])cc(C)oc2=O)cc1	ZINC000253407938	570097454	/nfs/dbraw/zinc/09/74/54/570097454.db2.gz	KHKDFNLADHLTGY-HXUWFJFHSA-N	-1	0	497.544	3.569	50	0	biogenic	JHAARM
COc1cccc(NC(=O)C[C@H](c2cc(OC)c3c(c2OC)OCO3)c2c([O-])cc(C)oc2=O)c1	ZINC000253470726	570099012	/nfs/dbraw/zinc/09/90/12/570099012.db2.gz	BLOKNNPYDBXJCV-MRXNPFEDSA-N	-1	0	483.473	3.569	50	0		JHAARM
COc1cc([C@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)cc(OC)c1OC	ZINC000253470738	570099052	/nfs/dbraw/zinc/09/90/52/570099052.db2.gz	BTTQLFCYEZXJPL-SFHVURJKSA-N	-1	0	479.485	3.956	50	0		JHAARM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccc(Cl)cc4)c([O-])c32)cc1OCC(N)=O	ZINC000263585840	570171368	/nfs/dbraw/zinc/17/13/68/570171368.db2.gz	NDYLZFUNCIXFBL-KRWDZBQOSA-N	-1	0	481.888	3.590	50	0	biogenic	JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(C)cc1)CN(C(=O)[C@H]1CC=CCC1)CC2	ZINC000299789216	570176861	/nfs/dbraw/zinc/17/68/61/570176861.db2.gz	ULIUTXQWIHCVEA-INIZCTEOSA-N	-1	0	474.604	3.885	50	0		JHAARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@](CCc2ccncc2)(Cc2ccc3c(c2)OCO3)C1=O	ZINC000001129103	194038081	/nfs/dbraw/zinc/03/80/81/194038081.db2.gz	PJWSETBAAABRIA-SANMLTNESA-N	-1	0	457.486	3.563	50	0		JHAARM
Cc1cc(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c(C)c1	ZINC000001142648	194045705	/nfs/dbraw/zinc/04/57/05/194045705.db2.gz	HMGPRKOEFCTALT-UHFFFAOYSA-N	-1	0	454.552	3.837	50	0		JHAARM
O=C([O-])C1CCC(Cn2c(=O)c3sccc3nc2SCc2cc(=O)n3ccccc3n2)CC1	ZINC000002932256	194173740	/nfs/dbraw/zinc/17/37/40/194173740.db2.gz	JTFYVKOHGQBNHK-UHFFFAOYSA-N	-1	0	482.587	3.649	50	0		JHAARM
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000002946243	194176083	/nfs/dbraw/zinc/17/60/83/194176083.db2.gz	FBQPHIHOHKHTIX-PXNMLYILSA-N	-1	0	465.289	3.948	50	0		JHAARM
CCCCNC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2OCC)c(=O)[n-]1	ZINC000003034061	194213824	/nfs/dbraw/zinc/21/38/24/194213824.db2.gz	SMQVHSVOIALLGY-UHFFFAOYSA-N	-1	0	450.611	3.912	50	0		JHAARM
COC(=O)c1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000003283418	194263041	/nfs/dbraw/zinc/26/30/41/194263041.db2.gz	KYYQXNFYPNVSGL-UHFFFAOYSA-N	-1	0	492.513	3.732	50	0		JHAARM
O=C([O-])C[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1Br)c1ccccc1Cl	ZINC000003324456	194282130	/nfs/dbraw/zinc/28/21/30/194282130.db2.gz	JLGOKZXHLCJZAT-CYBMUJFWSA-N	-1	0	454.676	3.875	50	0		JHAARM
O=C(NCCCN1CCCC1=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1	ZINC000003371933	194305809	/nfs/dbraw/zinc/30/58/09/194305809.db2.gz	JXXWUAPEFLJULX-UHFFFAOYSA-N	-1	0	476.407	3.598	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc(C)cc2)cc1	ZINC000003431291	194322145	/nfs/dbraw/zinc/32/21/45/194322145.db2.gz	DPNFHWSVVGSPLD-UHFFFAOYSA-N	-1	0	468.531	3.990	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCc2ccccc21	ZINC000003449332	194328318	/nfs/dbraw/zinc/32/83/18/194328318.db2.gz	IGTBTXLXYQWTFF-UHFFFAOYSA-N	-1	0	468.506	3.681	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)c3ncc(C(F)(F)F)cc3Cl)s2)no1	ZINC000003467121	194331169	/nfs/dbraw/zinc/33/11/69/194331169.db2.gz	WIUGQMZQGRLAHB-UHFFFAOYSA-N	-1	0	487.890	3.745	50	0		JHAARM
COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)c1	ZINC000003570047	194338202	/nfs/dbraw/zinc/33/82/02/194338202.db2.gz	HSZFXKFNBPLTEF-UHFFFAOYSA-N	-1	0	454.504	3.843	50	0		JHAARM
O=C([O-])c1cccc(-c2ccc(/C=c3\sc4nc(=O)c5c6c(sc5n4c3=O)CCCC6)o2)c1	ZINC000003617901	194341522	/nfs/dbraw/zinc/34/15/22/194341522.db2.gz	DBJDVODHJKLQCO-WQRHYEAKSA-N	-1	0	476.535	3.716	50	0		JHAARM
CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000009169583	194578678	/nfs/dbraw/zinc/57/86/78/194578678.db2.gz	XHKLMINRCMVECU-JOCHJYFZSA-N	-1	0	462.502	3.808	50	0		JHAARM
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)C1=O	ZINC000009311633	194685313	/nfs/dbraw/zinc/68/53/13/194685313.db2.gz	SDWYTGXTCBRCHP-ODLFYWEKSA-N	-1	0	471.487	3.572	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCOCC1	ZINC000009631882	194830316	/nfs/dbraw/zinc/83/03/16/194830316.db2.gz	JOUAKBJWIMTGTI-UHFFFAOYSA-N	-1	0	485.537	3.724	50	0		JHAARM
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)c1	ZINC000012604616	195049578	/nfs/dbraw/zinc/04/95/78/195049578.db2.gz	XMZZAJMFEGCOHQ-UHFFFAOYSA-N	-1	0	455.488	3.640	50	0		JHAARM
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012605688	195051267	/nfs/dbraw/zinc/05/12/67/195051267.db2.gz	YGQLUXGDMKAIJM-UHFFFAOYSA-N	-1	0	488.635	3.605	50	0		JHAARM
COc1ccc(C(=O)NCCN(C)c2ccccc2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000012612861	195054383	/nfs/dbraw/zinc/05/43/83/195054383.db2.gz	GTOBAOVVVZLHPR-UHFFFAOYSA-N	-1	0	453.564	3.671	50	0		JHAARM
NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[n-]1	ZINC000012785860	195127915	/nfs/dbraw/zinc/12/79/15/195127915.db2.gz	VZQAJJTWWHXMKS-GOSISDBHSA-N	-1	0	450.951	3.717	50	0		JHAARM
CCOc1cc2[n-]c(=S)n(CCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2cc1OCC	ZINC000020644638	195194340	/nfs/dbraw/zinc/19/43/40/195194340.db2.gz	JHRLMFUQDTUXSU-UHFFFAOYSA-N	-1	0	496.633	3.985	50	0		JHAARM
COc1ccc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)c(OC)c1OC	ZINC000020724810	195206852	/nfs/dbraw/zinc/20/68/52/195206852.db2.gz	CHFYTPVTZJASBP-NRFANRHFSA-N	-1	0	473.957	3.791	50	0		JHAARM
COc1cccc(-c2nc(CC(=O)N[C@@H](CC(=O)[O-])c3ccc(OC)c(OC)c3)cs2)c1	ZINC000020723891	195206907	/nfs/dbraw/zinc/20/69/07/195206907.db2.gz	OYIIWSVPNQNALP-SFHVURJKSA-N	-1	0	456.520	3.711	50	0		JHAARM
COc1ccc(OC)c(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c1	ZINC000021931742	195335250	/nfs/dbraw/zinc/33/52/50/195335250.db2.gz	GFJPSBFSHUDVCS-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
CCC(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)(C)C)c(S(=O)(=O)N[C@@H](C)CC)c1	ZINC000096317722	130062048	/nfs/dbraw/zinc/06/20/48/130062048.db2.gz	MOHQWDIRYDCMFE-ZDUSSCGKSA-N	-1	0	480.587	3.862	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	ZINC000002120811	520488439	/nfs/dbraw/zinc/48/84/39/520488439.db2.gz	OTMULPYJGARLGK-LJJBLSSYSA-N	-1	0	490.581	3.620	50	0		JHAARM
CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000022626233	520580778	/nfs/dbraw/zinc/58/07/78/520580778.db2.gz	FTCQNNDKBBCKFZ-MRXNPFEDSA-N	-1	0	479.400	3.932	50	0		JHAARM
CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253100	521211372	/nfs/dbraw/zinc/21/13/72/521211372.db2.gz	HBSYYSWQQYTDGN-UHFFFAOYSA-N	-1	0	481.574	3.911	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2c(CC)nn3c2NC(=O)CCC3=O)ccc1C	ZINC000033276682	521554403	/nfs/dbraw/zinc/55/44/03/521554403.db2.gz	VZEYZNREKQLVQF-UHFFFAOYSA-N	-1	0	482.562	3.993	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc3c(c1)CCC3)CN(C(=O)C1(C)CC1)CC2	ZINC000012246709	521792695	/nfs/dbraw/zinc/79/26/95/521792695.db2.gz	JSVMAVCYCAAKGK-UHFFFAOYSA-N	-1	0	474.604	3.509	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000016690090	522536653	/nfs/dbraw/zinc/53/66/53/522536653.db2.gz	XPZBEQCREOTUIF-HNNXBMFYSA-N	-1	0	454.383	3.652	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c1)NC(=O)CCC2=O	ZINC000033276734	522706547	/nfs/dbraw/zinc/70/65/47/522706547.db2.gz	XODNKVDHXDEFIC-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000020038418	523383875	/nfs/dbraw/zinc/38/38/75/523383875.db2.gz	QUPOGSINIJVSJZ-AIAVXMCLSA-N	-1	0	483.524	3.760	50	0	biogenic	JHAARM
COc1ccc(CNC(=O)c2c([O-])c3cc(Br)cc(Br)c3[nH]c2=O)cc1	ZINC000017017089	524065024	/nfs/dbraw/zinc/06/50/24/524065024.db2.gz	SQXKGEAFWWOCNZ-UHFFFAOYSA-N	-1	0	482.128	3.697	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCOCC3)c(C)c2cc(C)c1C	ZINC000065010880	524641124	/nfs/dbraw/zinc/64/11/24/524641124.db2.gz	GTRPTZXGNSKBDE-UHFFFAOYSA-N	-1	0	458.536	3.640	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)c(OC)c1	ZINC000033170617	524687483	/nfs/dbraw/zinc/68/74/83/524687483.db2.gz	IAJHTPOVENRCHZ-XFFZJAGNSA-N	-1	0	487.534	3.938	50	0		JHAARM
Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)c1	ZINC000033253228	524805497	/nfs/dbraw/zinc/80/54/97/524805497.db2.gz	HXYINJWMSUDHNH-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(F)cc2)n(C)c(=O)n3C)cc1	ZINC000046009525	524992050	/nfs/dbraw/zinc/99/20/50/524992050.db2.gz	VTAOLIGIWYCEOZ-UHFFFAOYSA-N	-1	0	457.483	3.618	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)cc1	ZINC000009009292	525090052	/nfs/dbraw/zinc/09/00/52/525090052.db2.gz	VVTXECFDYGXGOR-UHFFFAOYSA-N	-1	0	464.503	3.780	50	0	aggregator	JHAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O	ZINC000002295004	525611183	/nfs/dbraw/zinc/61/11/83/525611183.db2.gz	IRXAHOKKACJEFO-NRFANRHFSA-N	-1	0	488.521	3.896	50	0		JHAARM
Cc1c(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3	ZINC000002125114	525880882	/nfs/dbraw/zinc/88/08/82/525880882.db2.gz	GLDJVJZHWUUVDR-HXUWFJFHSA-N	-1	0	469.921	3.825	50	0	biogenic	JHAARM
COc1cccc(N2CCN(c3ccc(NC(=O)Cc4cccs4)c(C(=O)[O-])c3)CC2)c1	ZINC000045967730	526156474	/nfs/dbraw/zinc/15/64/74/526156474.db2.gz	CMNCNUUOQNUGKN-UHFFFAOYSA-N	-1	0	451.548	3.963	50	0		JHAARM
Cc1ccc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=S)n3-c2ccc(C)cc2)cc1	ZINC000012447627	526216650	/nfs/dbraw/zinc/21/66/50/526216650.db2.gz	HYSNCSIDZTXBIP-NRFANRHFSA-N	-1	0	474.464	3.652	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000033078802	526350937	/nfs/dbraw/zinc/35/09/37/526350937.db2.gz	YJJNTTIGKSGYND-UHFFFAOYSA-N	-1	0	482.537	3.598	50	0		JHAARM
O=C([O-])c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n2)cc1	ZINC000008769033	526359731	/nfs/dbraw/zinc/35/97/31/526359731.db2.gz	WKMPZKJYBHHNHK-UHFFFAOYSA-N	-1	0	457.533	3.545	50	0		JHAARM
O=c1cc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)[n-]n1-c1cccc(C(F)(F)F)c1	ZINC000008626788	526959674	/nfs/dbraw/zinc/95/96/74/526959674.db2.gz	MDECLMLFQWFTFP-UHFFFAOYSA-N	-1	0	451.348	3.686	50	0		JHAARM
O=C(CSc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1)Nc1ccc2c(c1)OCCO2	ZINC000022704357	527036847	/nfs/dbraw/zinc/03/68/47/527036847.db2.gz	LZHJKGLBYDGDBU-RTBURBONSA-N	-1	0	468.531	3.794	50	0		JHAARM
O=S(=O)([N-]c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cccc(Cl)c1Cl	ZINC000002635864	527233286	/nfs/dbraw/zinc/23/32/86/527233286.db2.gz	ZNZKFGDHBCBMTK-UHFFFAOYSA-N	-1	0	461.348	3.866	50	0		JHAARM
O=C([O-])CN1c2ccccc2CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O	ZINC000014632684	527611781	/nfs/dbraw/zinc/61/17/81/527611781.db2.gz	AJXLRWYRXXKUSJ-HSZRJFAPSA-N	-1	0	456.498	3.958	50	0		JHAARM
CCCNS(=O)(=O)c1cc(NC(=O)CC(C)C)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)C	ZINC000096317916	535179648	/nfs/dbraw/zinc/17/96/48/535179648.db2.gz	HDFPOGZYGBLJGM-UHFFFAOYSA-N	-1	0	480.587	3.936	50	0		JHAARM
CC[NH+]1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4ccccc4Cl)ccc3n2)CC1	ZINC000096355844	535742758	/nfs/dbraw/zinc/74/27/58/535742758.db2.gz	RHECVNVXCMLLOB-UHFFFAOYSA-N	-1	0	474.970	3.529	50	0		JHAARM
COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000000657851	553737124	/nfs/dbraw/zinc/73/71/24/553737124.db2.gz	LYKZSBYLTDHBEE-FYJGNVAPSA-N	-1	0	461.430	3.711	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)c1C	ZINC000000839165	553792907	/nfs/dbraw/zinc/79/29/07/553792907.db2.gz	ZODDWOMLKBLNAG-UHFFFAOYSA-N	-1	0	480.340	3.872	50	0		JHAARM
Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000955056	553883226	/nfs/dbraw/zinc/88/32/26/553883226.db2.gz	HCBHPBMOOSVXMK-UHFFFAOYSA-N	-1	0	491.367	3.674	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc(F)cc4)CC3)cc21	ZINC000001270492	553938993	/nfs/dbraw/zinc/93/89/93/553938993.db2.gz	HOQLOTFVFOXFJC-UHFFFAOYSA-N	-1	0	472.517	3.517	50	0		JHAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)[O-])c(C)c3cc12	ZINC000002102606	554043264	/nfs/dbraw/zinc/04/32/64/554043264.db2.gz	BJTZZEBZJSIVGA-NRFANRHFSA-N	-1	0	458.470	3.992	50	0	biogenic	JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1	ZINC000002107602	554047341	/nfs/dbraw/zinc/04/73/41/554047341.db2.gz	PQCZWKSTDBSXNP-FQEVSTJZSA-N	-1	0	455.532	3.545	50	0	biogenic	JHAARM
CCOc1ccccc1-n1c2nc(SCC(=O)N(CC)CC)[n-]c(=O)c2sc1=S	ZINC000002452429	554219172	/nfs/dbraw/zinc/21/91/72/554219172.db2.gz	WEJZGURZALEQJM-UHFFFAOYSA-N	-1	0	450.611	3.864	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)Cc3cccc4ccccc43)cc2)no1	ZINC000002551575	554235308	/nfs/dbraw/zinc/23/53/08/554235308.db2.gz	NGHJXBYUEDGQLV-UHFFFAOYSA-N	-1	0	480.571	3.993	50	0		JHAARM
COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002818153	554363257	/nfs/dbraw/zinc/36/32/57/554363257.db2.gz	DPLIRFKSBJFEEF-CRZGJZTJSA-N	-1	0	465.289	3.947	50	0		JHAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)o1	ZINC000002995731	554421577	/nfs/dbraw/zinc/42/15/77/554421577.db2.gz	IGHMGQKJWJNYFR-FDWYHIAWSA-N	-1	0	483.318	3.625	50	0		JHAARM
O=C([O-])[C@H](C(=O)Oc1ccccc1)[C@H](C(=O)Nc1ccc(Cl)cc1)C(=O)Oc1ccccc1	ZINC000003109892	554426440	/nfs/dbraw/zinc/42/64/40/554426440.db2.gz	VWCJRAYBGYWONK-WOJBJXKFSA-N	-1	0	467.861	3.807	50	0		JHAARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)N1CCc2ccccc21	ZINC000006093635	554504956	/nfs/dbraw/zinc/50/49/56/554504956.db2.gz	FTAKMQADEGZRHR-HNNXBMFYSA-N	-1	0	456.545	3.684	50	0		JHAARM
CCC[C@@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000006469263	554543190	/nfs/dbraw/zinc/54/31/90/554543190.db2.gz	IOJVBPJQXGHOAL-UIMCMNAESA-N	-1	0	459.340	3.898	50	0		JHAARM
Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc(=O)c2c1	ZINC000008845855	554743998	/nfs/dbraw/zinc/74/39/98/554743998.db2.gz	JCFUSSHGYKSBLF-UHFFFAOYSA-N	-1	0	464.503	3.561	50	0		JHAARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1OC	ZINC000008868759	554762374	/nfs/dbraw/zinc/76/23/74/554762374.db2.gz	AWDUKUWRHUOKBF-HNNXBMFYSA-N	-1	0	476.279	3.519	50	0		JHAARM
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccccc3)s2)n1	ZINC000008915209	554808426	/nfs/dbraw/zinc/80/84/26/554808426.db2.gz	JLIDUKSFSDBHDY-UHFFFAOYSA-N	-1	0	470.001	3.710	50	0		JHAARM
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000008964720	554838636	/nfs/dbraw/zinc/83/86/36/554838636.db2.gz	RMDHGXDQIQAJFN-KPCQLVSVSA-N	-1	0	491.650	3.710	50	0	biogenic	JHAARM
CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000009033147	554867436	/nfs/dbraw/zinc/86/74/36/554867436.db2.gz	HGIFSZXSOSGFMZ-NYHFZMIOSA-N	-1	0	462.502	3.806	50	0	biogenic	JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC(C)C)C(=O)C(C)(C)CO3)c(OC)c1	ZINC000009172698	554954467	/nfs/dbraw/zinc/95/44/67/554954467.db2.gz	VQXXCXUNYKCSFL-UHFFFAOYSA-N	-1	0	462.568	3.912	50	0		JHAARM
COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009285240	555059257	/nfs/dbraw/zinc/05/92/57/555059257.db2.gz	KDDCYYMDXNSDPO-UHFFFAOYSA-N	-1	0	476.555	3.773	50	0		JHAARM
CCn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)c(=O)c2ccc(C)nc21	ZINC000009319652	555094250	/nfs/dbraw/zinc/09/42/50/555094250.db2.gz	ZWKRPRRPYPAGFM-UHFFFAOYSA-N	-1	0	492.557	3.787	50	0		JHAARM
COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(OC)cc3)Sc3ccccc3N2)C1=O	ZINC000009433990	555204682	/nfs/dbraw/zinc/20/46/82/555204682.db2.gz	KIGWSQDXUFNHQJ-HUZQBFDWSA-N	-1	0	467.547	3.713	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3n[nH]c4ccccc43)ccc2OC)cc1	ZINC000009467683	555245529	/nfs/dbraw/zinc/24/55/29/555245529.db2.gz	LGVANWDMYYHXIP-UHFFFAOYSA-N	-1	0	452.492	3.633	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(OCc2cscn2)cc1	ZINC000009515323	555306388	/nfs/dbraw/zinc/30/63/88/555306388.db2.gz	BDOUGEMKRHFDSQ-UHFFFAOYSA-N	-1	0	467.532	3.565	50	0		JHAARM
Cc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nc4ccc(C)cc4s3)[n-]c2=O)cc1	ZINC000009518136	555312318	/nfs/dbraw/zinc/31/23/18/555312318.db2.gz	KHPARRUAOPTTMX-UHFFFAOYSA-N	-1	0	480.575	3.562	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009546245	555341127	/nfs/dbraw/zinc/34/11/27/555341127.db2.gz	ZDSIAVOHDMLHOB-UHFFFAOYSA-N	-1	0	478.523	3.639	50	0		JHAARM
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1ccccc1F	ZINC000009569507	555367999	/nfs/dbraw/zinc/36/79/99/555367999.db2.gz	DEUWXINGBGNGRN-UHFFFAOYSA-N	-1	0	464.515	3.907	50	0		JHAARM
Cc1ccc(C(=O)NCc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)no2)cc1	ZINC000013346546	555377008	/nfs/dbraw/zinc/37/70/08/555377008.db2.gz	WSBZRBQLIXDVBB-UHFFFAOYSA-N	-1	0	454.533	3.837	50	0		JHAARM
CCOC(=O)CCNC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1	ZINC000013349242	555379292	/nfs/dbraw/zinc/37/92/92/555379292.db2.gz	IMZVFSAFUKULLU-UHFFFAOYSA-N	-1	0	476.580	3.789	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1	ZINC000013394821	555394816	/nfs/dbraw/zinc/39/48/16/555394816.db2.gz	VDIMDAHQCHVMHV-QGZVFWFLSA-N	-1	0	455.927	3.511	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1	ZINC000013399983	555395485	/nfs/dbraw/zinc/39/54/85/555395485.db2.gz	HYIBRJJUXCCGQA-QGZVFWFLSA-N	-1	0	456.911	3.776	50	0		JHAARM
Cc1cc2nnc(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n2c2ccccc12	ZINC000013416516	555397266	/nfs/dbraw/zinc/39/72/66/555397266.db2.gz	KUYANTVJRYHGEN-LJQANCHMSA-N	-1	0	459.531	3.576	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1	ZINC000009828651	555526541	/nfs/dbraw/zinc/52/65/41/555526541.db2.gz	AZTLSWHBSXSMAJ-UHFFFAOYSA-N	-1	0	482.381	3.896	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(Br)cc1	ZINC000009828710	555526814	/nfs/dbraw/zinc/52/68/14/555526814.db2.gz	PBWPIZCBZNCVIP-UHFFFAOYSA-N	-1	0	452.355	3.888	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)Nc3ccc(OC)c(Cl)c3)cs2)cc1	ZINC000009828674	555526870	/nfs/dbraw/zinc/52/68/70/555526870.db2.gz	OOYIOMGRBFEEKL-UHFFFAOYSA-N	-1	0	467.956	3.796	50	0		JHAARM
O=C(c1c[n-]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2c1=O)N1CCc2ccccc21	ZINC000009833869	555536743	/nfs/dbraw/zinc/53/67/43/555536743.db2.gz	PWHPLJZBBRSLEW-UHFFFAOYSA-N	-1	0	463.490	3.671	50	0		JHAARM
CCn1ncc(S(=O)(=O)[N-]c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1C	ZINC000020214060	555708607	/nfs/dbraw/zinc/70/86/07/555708607.db2.gz	UIRIPGFSZVZZFH-UHFFFAOYSA-N	-1	0	461.384	3.894	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@@H](C)n2c3ccccc3oc2=O)c1	ZINC000014212152	555734321	/nfs/dbraw/zinc/73/43/21/555734321.db2.gz	AXSWOHHXZQODKL-OAHLLOKOSA-N	-1	0	467.503	3.604	50	0		JHAARM
C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000010732767	555736616	/nfs/dbraw/zinc/73/66/16/555736616.db2.gz	QIYNLGAWFBETOO-FDYAIDJWSA-N	-1	0	486.937	3.514	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCC(=O)NCCc4ccc(Cl)cc4)c3=O)c2c1	ZINC000020330348	555775449	/nfs/dbraw/zinc/77/54/49/555775449.db2.gz	NAJDNBXGSVAQOR-UHFFFAOYSA-N	-1	0	456.955	3.951	50	0		JHAARM
CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3F)[n-]c2=O)cc1	ZINC000020355904	555785207	/nfs/dbraw/zinc/78/52/07/555785207.db2.gz	FMIFNWQAJHRUQW-UHFFFAOYSA-N	-1	0	475.567	3.770	50	0		JHAARM
C/C=C(\C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)c2C(=O)OC)C1	ZINC000015002720	555847531	/nfs/dbraw/zinc/84/75/31/555847531.db2.gz	XFTBBVQDRYYHJO-LNKIKWGQSA-N	-1	0	474.604	3.675	50	0		JHAARM
COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)c(OC)c1	ZINC000021931698	555857169	/nfs/dbraw/zinc/85/71/69/555857169.db2.gz	IBAZHCOPGGWZFL-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(S[C@@H](C)C(=O)N3CCCC3)nc2c1	ZINC000015221330	555885181	/nfs/dbraw/zinc/88/51/81/555885181.db2.gz	PLSFOLMLPFIWOB-AWEZNQCLSA-N	-1	0	461.565	3.740	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)s1	ZINC000015720797	555954845	/nfs/dbraw/zinc/95/48/45/555954845.db2.gz	UPIDYYQKRLJOFQ-UHFFFAOYSA-N	-1	0	451.888	3.533	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)cc21	ZINC000015781433	556000410	/nfs/dbraw/zinc/00/04/10/556000410.db2.gz	OVVHKCIVCGZVSE-UHFFFAOYSA-N	-1	0	458.989	3.642	50	0		JHAARM
COc1ccccc1OCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1	ZINC000012548381	556026274	/nfs/dbraw/zinc/02/62/74/556026274.db2.gz	BFIRZVPWGHVKMK-UHFFFAOYSA-N	-1	0	450.520	3.930	50	0		JHAARM
CC(C)(C)C(=O)NCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000012560520	556052515	/nfs/dbraw/zinc/05/25/15/556052515.db2.gz	GEWYQWMIKDPVNB-UHFFFAOYSA-N	-1	0	458.367	3.895	50	0		JHAARM
COc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000015919242	556066747	/nfs/dbraw/zinc/06/67/47/556066747.db2.gz	AFVCZROIJVFCGB-SFTDATJTSA-N	-1	0	481.549	3.614	50	0		JHAARM
COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000023968320	556108674	/nfs/dbraw/zinc/10/86/74/556108674.db2.gz	UAZYJZLLNIKDFY-UHFFFAOYSA-N	-1	0	470.526	3.883	50	0		JHAARM
Cc1cc(NC(=O)Cc2cccs2)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017135716	556222604	/nfs/dbraw/zinc/22/26/04/556222604.db2.gz	GYMVJYROHDVJAD-UHFFFAOYSA-N	-1	0	459.535	3.875	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)n1	ZINC000013042485	556249526	/nfs/dbraw/zinc/24/95/26/556249526.db2.gz	FBWDBFPOLQJEHM-UHFFFAOYSA-N	-1	0	460.581	3.818	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OC)cc1	ZINC000013055685	556250073	/nfs/dbraw/zinc/25/00/73/556250073.db2.gz	IBHOKPADIRHXJO-MRXNPFEDSA-N	-1	0	484.530	3.689	50	0		JHAARM
Cc1ccccc1OCn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1	ZINC000027972298	556310670	/nfs/dbraw/zinc/31/06/70/556310670.db2.gz	DYVHWSXTJZGPCM-UHFFFAOYSA-N	-1	0	469.548	3.738	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)[nH]n2)cc1	ZINC000032950935	556566667	/nfs/dbraw/zinc/56/66/67/556566667.db2.gz	CCHLDMDLPFFXSK-UHFFFAOYSA-N	-1	0	465.329	3.624	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c(C)c1	ZINC000032961876	556579385	/nfs/dbraw/zinc/57/93/85/556579385.db2.gz	GFTVQQDFLRLSSN-UHFFFAOYSA-N	-1	0	480.590	3.832	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(OC)cc3OC)cc2)s1	ZINC000008453788	562939473	/nfs/dbraw/zinc/93/94/73/562939473.db2.gz	PTUUPEUFXXCSSM-WUXMJOGZSA-N	-1	0	474.564	3.570	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(COC(=O)c3ccc(C=O)cc3)nc2c1	ZINC000006181557	569588753	/nfs/dbraw/zinc/58/87/53/569588753.db2.gz	ZVNVDOQJBQKOMA-UHFFFAOYSA-N	-1	0	465.487	3.542	50	0		JHAARM
COc1cc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc1OC	ZINC000061720140	569609100	/nfs/dbraw/zinc/60/91/00/569609100.db2.gz	QRFGRPGKESQDCW-HNNXBMFYSA-N	-1	0	458.417	3.954	50	0		JHAARM
O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)ccc1NC(=O)c1ccc(Cl)cc1	ZINC000064588748	569620813	/nfs/dbraw/zinc/62/08/13/569620813.db2.gz	UFEDAQCBVXFISN-UHFFFAOYSA-N	-1	0	451.914	3.797	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4cc(C)cc(C)c4)c(Cl)cc32)no1	ZINC000065022501	569649122	/nfs/dbraw/zinc/64/91/22/569649122.db2.gz	SXNHTKLBHGUTJK-UHFFFAOYSA-N	-1	0	476.942	3.629	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccnc3)c(C)n2C)sc1C(=O)N1CCCCC1	ZINC000065035893	569652742	/nfs/dbraw/zinc/65/27/42/569652742.db2.gz	VWKOWTAJQACXJT-UHFFFAOYSA-N	-1	0	459.597	3.587	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccnc3)c(C)n2C)sc1C(=O)N1CCC(C)CC1	ZINC000065036165	569653124	/nfs/dbraw/zinc/65/31/24/569653124.db2.gz	IYXKULUMUNZOBM-UHFFFAOYSA-N	-1	0	473.624	3.833	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)n2C)sc1C(=O)N1CCCC1	ZINC000065036400	569653303	/nfs/dbraw/zinc/65/33/03/569653303.db2.gz	CVTKUMFLXIPSFX-UHFFFAOYSA-N	-1	0	462.572	3.941	50	0		JHAARM
COc1ccc(CCN(C)C(=O)CCc2nnc(-c3cccc(Cl)c3)[n-]c2=O)cc1OC	ZINC000034767912	569658777	/nfs/dbraw/zinc/65/87/77/569658777.db2.gz	BOFLUWWTFRUZKE-UHFFFAOYSA-N	-1	0	456.930	3.549	50	0		JHAARM
COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1	ZINC000035377942	569685562	/nfs/dbraw/zinc/68/55/62/569685562.db2.gz	YVXIDQJOGIPWCD-UHFFFAOYSA-N	-1	0	459.915	3.595	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cc(OC)cc(OC)c1	ZINC000035377922	569685621	/nfs/dbraw/zinc/68/56/21/569685621.db2.gz	OZKGMJHULXYJPZ-IBGZPJMESA-N	-1	0	483.550	3.729	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2cc(C)ccc2C)cc1C(=O)[O-]	ZINC000035397880	569688541	/nfs/dbraw/zinc/68/85/41/569688541.db2.gz	DVXMZPLTLFYZSQ-UHFFFAOYSA-N	-1	0	471.583	3.749	50	0		JHAARM
CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1	ZINC000071328653	569696907	/nfs/dbraw/zinc/69/69/07/569696907.db2.gz	CVMQEQQSSSSECL-NRFANRHFSA-N	-1	0	478.526	3.516	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2ccc(=O)n(-c3c(C)noc3C)n2)ccc1OC	ZINC000085652150	569714137	/nfs/dbraw/zinc/71/41/37/569714137.db2.gz	YZUBKSCYECSITN-UHFFFAOYSA-N	-1	0	496.545	3.712	50	0		JHAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000095541314	569726580	/nfs/dbraw/zinc/72/65/80/569726580.db2.gz	IJZMZKYSUMYONV-UHFFFAOYSA-N	-1	0	458.393	3.809	50	0		JHAARM
CCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000096113675	569732831	/nfs/dbraw/zinc/73/28/31/569732831.db2.gz	OWEQGUMTLGFTIY-AZUAARDMSA-N	-1	0	484.549	3.528	50	0	biogenic	JHAARM
CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000096113664	569732966	/nfs/dbraw/zinc/73/29/66/569732966.db2.gz	QPKJMQPFRFOBGM-PZJWPPBQSA-N	-1	0	498.576	3.918	50	0	biogenic	JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)N(c1ccccc1)c1ccccc1	ZINC000100033146	569751667	/nfs/dbraw/zinc/75/16/67/569751667.db2.gz	JEDRYOFIUJGPDT-FGZHOGPDSA-N	-1	0	459.893	3.998	50	0		JHAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nn2c(Cc3ccccc3)nc3ccccc3c2=O)c1=O	ZINC000100667693	569766441	/nfs/dbraw/zinc/76/64/41/569766441.db2.gz	ARYIQPZPQFCHKR-UHFFFAOYSA-N	-1	0	480.524	3.802	50	0		JHAARM
CCSc1nnc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C=C(/C)C(=O)[O-])cc2)s1	ZINC000037018961	569781195	/nfs/dbraw/zinc/78/11/95/569781195.db2.gz	HZBVPPZBCXFQSO-DWOQACPDSA-N	-1	0	452.583	3.739	50	0		JHAARM
CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(OC)cc5)c(=O)c3=4)c(C)o2)cc1	ZINC000101180387	569786316	/nfs/dbraw/zinc/78/63/16/569786316.db2.gz	OAWZNLMEVSUZDA-SFTDATJTSA-N	-1	0	461.478	3.551	50	0		JHAARM
CCS(=O)(=O)[N-]c1nc2n(n1)[C@H](c1ccccc1OC)CC(c1ccc(Br)cc1)=N2	ZINC000101618414	569801835	/nfs/dbraw/zinc/80/18/35/569801835.db2.gz	WMNXAWVIHJWLOW-KRWDZBQOSA-N	-1	0	490.383	3.867	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000101629155	569802077	/nfs/dbraw/zinc/80/20/77/569802077.db2.gz	HMJKZZGUZISHIX-HDICACEKSA-N	-1	0	460.527	3.619	50	0		JHAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101892632	569807331	/nfs/dbraw/zinc/80/73/31/569807331.db2.gz	YDWPBVCEEGASAL-ROUUACIJSA-N	-1	0	486.410	3.648	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Br)no4)c=3c2=O)cc1C	ZINC000101893102	569807451	/nfs/dbraw/zinc/80/74/51/569807451.db2.gz	UPIVQDDKPUPUQN-QZTJIDSGSA-N	-1	0	481.310	3.609	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1	ZINC000102001547	569808786	/nfs/dbraw/zinc/80/87/86/569808786.db2.gz	JSOILPXPWOPUOV-HZPDHXFCSA-N	-1	0	497.136	3.688	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000102290279	569812147	/nfs/dbraw/zinc/81/21/47/569812147.db2.gz	GJEKTXPLUUZYTO-IYBDPMFKSA-N	-1	0	480.945	3.964	50	0		JHAARM
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)no1	ZINC000040087033	569815787	/nfs/dbraw/zinc/81/57/87/569815787.db2.gz	RFYPZYQAHIOJGK-CYBMUJFWSA-N	-1	0	480.593	3.544	50	0		JHAARM
COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000040146715	569818212	/nfs/dbraw/zinc/81/82/12/569818212.db2.gz	LHTXVEGVIIIISD-OAQYLSRUSA-N	-1	0	499.614	3.730	50	0		JHAARM
CCn1c(=O)sc2cc([N-]S(=O)(=O)c3cc4c(cc3Br)CCN4C(C)=O)ccc21	ZINC000040451170	569829370	/nfs/dbraw/zinc/82/93/70/569829370.db2.gz	GDWVNJQCLDIEFK-UHFFFAOYSA-N	-1	0	496.408	3.555	50	0		JHAARM
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cc(OC)ccc2OC)CC(=O)N3)c(OC)c1	ZINC000049543125	569848413	/nfs/dbraw/zinc/84/84/13/569848413.db2.gz	YUXBJQZMEUEADR-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C	ZINC000106889538	569855892	/nfs/dbraw/zinc/85/58/92/569855892.db2.gz	MQIIVUQMJZCEGH-CYBMUJFWSA-N	-1	0	492.598	3.862	50	0		JHAARM
CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C	ZINC000145068337	569867798	/nfs/dbraw/zinc/86/77/98/569867798.db2.gz	KLYUTTJBDDHKOC-VXKWHMMOSA-N	-1	0	466.534	3.598	50	0		JHAARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc(Cl)cc2c1OCOC2	ZINC000218075031	569882677	/nfs/dbraw/zinc/88/26/77/569882677.db2.gz	SNKNCKUHYXMGLI-ZDUSSCGKSA-N	-1	0	456.834	3.971	50	0	biogenic	JHAARM
CCOc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C(=O)[O-])[C@@H]3C2=O)c1	ZINC000230018861	570043592	/nfs/dbraw/zinc/04/35/92/570043592.db2.gz	MXEXZYNIEJUBQB-YTFSRNRJSA-N	-1	0	458.470	3.835	50	0		JHAARM
COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000239174018	570049243	/nfs/dbraw/zinc/04/92/43/570049243.db2.gz	PCYNKWCZNZLSDF-ITHJLQSDSA-N	-1	0	536.592	3.983	50	0		JHAARM
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O	ZINC000253405270	570097093	/nfs/dbraw/zinc/09/70/93/570097093.db2.gz	IESUSGBESYALDT-NRFANRHFSA-N	-1	0	474.513	3.980	50	0	biogenic	JHAARM
COc1cc([C@@H](CC(=O)NCCc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471722	570099439	/nfs/dbraw/zinc/09/94/39/570099439.db2.gz	XZAXWCWZHOTTMV-LJQANCHMSA-N	-1	0	485.508	3.700	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(C)cc1)CN(C(=O)C1=CCCC1)CC2	ZINC000299786087	570176867	/nfs/dbraw/zinc/17/68/67/570176867.db2.gz	STZWWFIGRBOMMZ-UHFFFAOYSA-N	-1	0	460.577	3.639	50	0		JHAARM
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)[O-])cc3C2=O)cc1	ZINC000001010552	194002942	/nfs/dbraw/zinc/00/29/42/194002942.db2.gz	FTWATXICDVIBPN-UHFFFAOYSA-N	-1	0	458.426	3.614	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2)ncn1	ZINC000001160516	194054484	/nfs/dbraw/zinc/05/44/84/194054484.db2.gz	JJVUNXNBQLWAIB-UHFFFAOYSA-N	-1	0	488.525	3.769	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O)C(=O)[O-]	ZINC000001749963	194134107	/nfs/dbraw/zinc/13/41/07/194134107.db2.gz	HJACLWZCFFWBIQ-MQNRADLISA-N	-1	0	495.528	3.924	50	0		JHAARM
CCOc1cc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccc(Cl)cc2)ccc1O	ZINC000002505834	194162209	/nfs/dbraw/zinc/16/22/09/194162209.db2.gz	GVRCKTDQJDJBPP-TXPKVOOTSA-N	-1	0	458.820	3.548	50	0	aggregator	JHAARM
O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCN(c2ccccc2)CC1	ZINC000002973772	194190063	/nfs/dbraw/zinc/19/00/63/194190063.db2.gz	CEMHQPKHFBOQRE-UHFFFAOYSA-N	-1	0	487.423	3.951	50	0		JHAARM
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000002974052	194190199	/nfs/dbraw/zinc/19/01/99/194190199.db2.gz	HNGFLYLABWREPB-UHFFFAOYSA-N	-1	0	494.598	3.677	50	0		JHAARM
Cc1sc2nc3c(C(=O)N4CCCC4)cc(C(=O)c4cc(F)ccc4[O-])cn3c(=O)c2c1C	ZINC000003382854	194309796	/nfs/dbraw/zinc/30/97/96/194309796.db2.gz	JRRMYWXGWXBWLW-UHFFFAOYSA-N	-1	0	465.506	3.838	50	0		JHAARM
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Br)c1OCC(=O)[O-]	ZINC000004395957	194388891	/nfs/dbraw/zinc/38/88/91/194388891.db2.gz	UKVOBIBAHUBZSL-UHFFFAOYSA-N	-1	0	465.325	3.765	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1	ZINC000004647231	194393232	/nfs/dbraw/zinc/39/32/32/194393232.db2.gz	RFCJYCSOTDFIKE-SFHVURJKSA-N	-1	0	459.549	3.754	50	0		JHAARM
O=C(NCc1ccc(F)cc1)c1ccc2c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1	ZINC000009429641	194773028	/nfs/dbraw/zinc/77/30/28/194773028.db2.gz	UPXXGGMXIPLGPM-UHFFFAOYSA-N	-1	0	486.908	3.789	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)c1ccc(C)cc1C	ZINC000012604797	195049889	/nfs/dbraw/zinc/04/98/89/195049889.db2.gz	YJBMVSYCSPGVBQ-UHFFFAOYSA-N	-1	0	452.598	3.678	50	0		JHAARM
O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012604986	195050048	/nfs/dbraw/zinc/05/00/48/195050048.db2.gz	PQHWFBQLSWZPED-UHFFFAOYSA-N	-1	0	457.455	3.980	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3cc(F)ccc3F)c2)cc1	ZINC000012605553	195050880	/nfs/dbraw/zinc/05/08/80/195050880.db2.gz	AAGCSXLJDMFDLU-UHFFFAOYSA-N	-1	0	468.503	3.883	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCC2)c1)c1cc(C(F)(F)F)ccc1Cl	ZINC000012605796	195051367	/nfs/dbraw/zinc/05/13/67/195051367.db2.gz	AHWBDSVHEBWHBG-UHFFFAOYSA-N	-1	0	468.906	3.944	50	0		JHAARM
CC[C@H]1CN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)CCO1	ZINC000012630995	195063197	/nfs/dbraw/zinc/06/31/97/195063197.db2.gz	GYZMBRZRTNHAAW-KRWDZBQOSA-N	-1	0	483.384	3.510	50	0		JHAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)c1	ZINC000012797424	195136963	/nfs/dbraw/zinc/13/69/63/195136963.db2.gz	KXHHJWPWOLVXCR-UHFFFAOYSA-N	-1	0	452.536	3.570	50	0		JHAARM
Cc1c(C(=O)N2CCCCC2)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)n1C	ZINC000020989837	195261815	/nfs/dbraw/zinc/26/18/15/195261815.db2.gz	MRQRJPXSSWYCIU-UHFFFAOYSA-N	-1	0	459.490	3.967	50	0		JHAARM
CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1	ZINC000021089302	195274139	/nfs/dbraw/zinc/27/41/39/195274139.db2.gz	FECXDBSGDHGOSO-UHFFFAOYSA-N	-1	0	477.995	3.858	50	0		JHAARM
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc(OC)c1OC	ZINC000061720333	195416764	/nfs/dbraw/zinc/41/67/64/195416764.db2.gz	WZCXACIGTDHSNY-HNNXBMFYSA-N	-1	0	458.417	3.954	50	0		JHAARM
CCOC(=O)[C@@H](CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Cc1ccccc1	ZINC000062577308	195423177	/nfs/dbraw/zinc/42/31/77/195423177.db2.gz	CBWIJMLKAKNXND-HXUWFJFHSA-N	-1	0	486.615	3.630	50	0		JHAARM
CCC(CC)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000096291889	130043614	/nfs/dbraw/zinc/04/36/14/130043614.db2.gz	XVKKHTDNBNRZMG-UHFFFAOYSA-N	-1	0	480.587	3.671	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)cs3)n(CC(=O)N3CCCCC3)c2)c1	ZINC000033307705	518445864	/nfs/dbraw/zinc/44/58/64/518445864.db2.gz	UQKICFPSBVCCIM-UHFFFAOYSA-N	-1	0	486.619	3.936	50	0		JHAARM
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012508522	519483043	/nfs/dbraw/zinc/48/30/43/519483043.db2.gz	GHHLFANCWNGGOJ-HXUWFJFHSA-N	-1	0	468.560	3.847	50	0		JHAARM
CC(C)C(=O)Nc1ccc2nc(N3CCN(Cc4ccccc4F)CC3)cc(C(=O)[O-])c2c1	ZINC000033260679	519527026	/nfs/dbraw/zinc/52/70/26/519527026.db2.gz	QEEXJGIZEVDPDZ-UHFFFAOYSA-N	-1	0	450.514	3.989	50	0		JHAARM
CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O	ZINC000045900309	519750311	/nfs/dbraw/zinc/75/03/11/519750311.db2.gz	LNGPXVQWJPESMC-LLVKDONJSA-N	-1	0	477.468	3.928	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000016690217	520958137	/nfs/dbraw/zinc/95/81/37/520958137.db2.gz	VXTMLUATTYCJFS-MRXNPFEDSA-N	-1	0	494.415	3.685	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cc(C)cc(C)c2)C1	ZINC000033253883	521303061	/nfs/dbraw/zinc/30/30/61/521303061.db2.gz	INGDGRIYHMZGPA-SFHVURJKSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOc1nc(NC(=O)[N-]S(=O)(=O)Oc2ccc(Cl)cc2Cl)nc(-c2ccccc2)n1	ZINC000012412538	521605484	/nfs/dbraw/zinc/60/54/84/521605484.db2.gz	FPUWGUGVMUXKON-UHFFFAOYSA-N	-1	0	484.321	3.689	50	0		JHAARM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(OCc2nnc(-c3ccccc3)o2)cc1	ZINC000033308207	522291421	/nfs/dbraw/zinc/29/14/21/522291421.db2.gz	PLQPICRIGVFEJY-UHFFFAOYSA-N	-1	0	465.487	3.903	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccc(Cl)cc3)c1)NC(=O)CCC2=O	ZINC000033276712	522706930	/nfs/dbraw/zinc/70/69/30/522706930.db2.gz	GJJOXYVNWADCFL-UHFFFAOYSA-N	-1	0	488.953	3.948	50	0		JHAARM
COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3)CC2)cc(OC)c1OC	ZINC000023158025	522914726	/nfs/dbraw/zinc/91/47/26/522914726.db2.gz	IFKHJYZMEFGHLK-NRFANRHFSA-N	-1	0	495.605	3.742	50	0		JHAARM
COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)ccc1OCC(N)=O	ZINC000035477252	522925223	/nfs/dbraw/zinc/92/52/23/522925223.db2.gz	FOPVOCHLAPEXGY-AWEZNQCLSA-N	-1	0	470.478	3.599	50	0		JHAARM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(I)c1OCc1ccccc1	ZINC000015685928	522928833	/nfs/dbraw/zinc/92/88/33/522928833.db2.gz	CQKDPIIHOFOIQX-WMLDXEAASA-N	-1	0	471.316	3.667	50	0		JHAARM
CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc12	ZINC000002095235	523742601	/nfs/dbraw/zinc/74/26/01/523742601.db2.gz	BJAVXQJZSFDMRW-VFNWGFHPSA-N	-1	0	462.502	3.725	50	0	biogenic	JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(/C=C\c2onc(C)c2NC(C)=O)ccc1OC	ZINC000033170696	524642762	/nfs/dbraw/zinc/64/27/62/524642762.db2.gz	OUMVDXHVEBBNCD-BENRWUELSA-N	-1	0	457.508	3.930	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1	ZINC000022705582	524648020	/nfs/dbraw/zinc/64/80/20/524648020.db2.gz	MYLZJSASRQBHAE-UHFFFAOYSA-N	-1	0	479.558	3.804	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1F	ZINC000033171434	524687018	/nfs/dbraw/zinc/68/70/18/524687018.db2.gz	LVFVYELKMMKGNK-UHFFFAOYSA-N	-1	0	456.499	3.970	50	0		JHAARM
COc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000016778327	524721495	/nfs/dbraw/zinc/72/14/95/524721495.db2.gz	NLNUPJRRNPMEHY-UHFFFAOYSA-N	-1	0	464.503	3.954	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1	ZINC000008609815	524882640	/nfs/dbraw/zinc/88/26/40/524882640.db2.gz	OPHIBNDFJCXWPI-UHFFFAOYSA-N	-1	0	454.552	3.952	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1	ZINC000033253055	525332780	/nfs/dbraw/zinc/33/27/80/525332780.db2.gz	PJCVLFIIRJOFAC-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253221	525606580	/nfs/dbraw/zinc/60/65/80/525606580.db2.gz	JUTVWYJIDOZCHF-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)c(C)c1	ZINC000045987608	525631075	/nfs/dbraw/zinc/63/10/75/525631075.db2.gz	PXYNWKJEGPWXCI-UHFFFAOYSA-N	-1	0	497.520	3.969	50	0		JHAARM
COc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)c2c1	ZINC000008606763	525693452	/nfs/dbraw/zinc/69/34/52/525693452.db2.gz	HLTLCVHCEVOEJZ-UHFFFAOYSA-N	-1	0	466.519	3.830	50	0		JHAARM
O=C(NC[C@@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1	ZINC000033115295	526516944	/nfs/dbraw/zinc/51/69/44/526516944.db2.gz	LIPVELMFQPVSQW-HNNXBMFYSA-N	-1	0	485.425	3.638	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSC(=S)N3CCCCC3)cc2)c1C	ZINC000005941589	526640795	/nfs/dbraw/zinc/64/07/95/526640795.db2.gz	JZEMWRNENOHFDF-UHFFFAOYSA-N	-1	0	468.626	3.535	50	0		JHAARM
O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012508108	526641426	/nfs/dbraw/zinc/64/14/26/526641426.db2.gz	ZIOKHCALEFAHPA-UHFFFAOYSA-N	-1	0	453.549	3.701	50	0		JHAARM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(I)c2)N1	ZINC000016156568	527046829	/nfs/dbraw/zinc/04/68/29/527046829.db2.gz	LOARJOQDTDJBOW-RIYZIHGNSA-N	-1	0	454.651	3.704	50	0		JHAARM
O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCSC[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl	ZINC000036056354	527053546	/nfs/dbraw/zinc/05/35/46/527053546.db2.gz	WIDQGEBCSGTLEG-UWJYYQICSA-N	-1	0	462.358	3.741	50	0		JHAARM
Cc1nc2sc3ccccc3n2c(=O)c1S(=O)(=O)[N-]c1ccccc1Br	ZINC000021883956	527208093	/nfs/dbraw/zinc/20/80/93/527208093.db2.gz	ZRSTUUZLTUZBQH-UHFFFAOYSA-N	-1	0	450.339	3.781	50	0		JHAARM
O=C([O-])C=CC(=O)N(CC12CC3CC(CC(C3)C1)C2)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000012428723	527542899	/nfs/dbraw/zinc/54/28/99/527542899.db2.gz	XYQVVBNCEUNHOJ-QDCSVDQLSA-N	-1	0	470.953	3.658	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc4c(C)cc(=O)oc4c3)cc2)no1	ZINC000000935684	553873647	/nfs/dbraw/zinc/87/36/47/553873647.db2.gz	DUBIEZHYNDNTFM-HNNXBMFYSA-N	-1	0	483.502	3.605	50	0		JHAARM
CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)COc1ccccc1)C(F)(F)F	ZINC000002050062	554010157	/nfs/dbraw/zinc/01/01/57/554010157.db2.gz	RQGUNROPSKIIRC-LJQANCHMSA-N	-1	0	453.442	3.725	50	0		JHAARM
COc1ccccc1-n1c(=O)c(Cc2ccccc2)c([O-])nc1SCC(=O)N1CCCCC1	ZINC000002286335	554133150	/nfs/dbraw/zinc/13/31/50/554133150.db2.gz	GBDWRRUEYUIOLZ-UHFFFAOYSA-N	-1	0	465.575	3.642	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1	ZINC000002656866	554272043	/nfs/dbraw/zinc/27/20/43/554272043.db2.gz	OVYHWDSYCKZWHV-UHFFFAOYSA-N	-1	0	495.586	3.633	50	0		JHAARM
CCCc1cc2c(nc(C)n([N-]C(=O)c3cnn4c3nc(C3CC3)cc4C(F)F)c2=O)s1	ZINC000002780410	554341813	/nfs/dbraw/zinc/34/18/13/554341813.db2.gz	IYHAKNKPTHXIJK-UHFFFAOYSA-N	-1	0	458.494	3.961	50	0		JHAARM
CCOc1ccc(Cn2cc([N-]S(=O)(=O)c3c(C)nn(C(F)F)c3C)cn2)cc1OCC	ZINC000002805094	554355874	/nfs/dbraw/zinc/35/58/74/554355874.db2.gz	YCJSTBPUVVNMCM-UHFFFAOYSA-N	-1	0	469.514	3.738	50	0		JHAARM
COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3cccc(OC)c3OC)C2)cc1OC	ZINC000008445766	554595290	/nfs/dbraw/zinc/59/52/90/554595290.db2.gz	YJCBTKZAKQRAMV-SFHVURJKSA-N	-1	0	456.495	3.654	50	0		JHAARM
CSCC[C@@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000008826647	554716493	/nfs/dbraw/zinc/71/64/93/554716493.db2.gz	QUXDOVGIIXOQKV-CLEQQJOVSA-N	-1	0	477.380	3.543	50	0		JHAARM
Cc1nn(CC(C)C)c2sc(C(=O)[N-]N3C(=O)N[C@](C)(CCc4ccccc4)C3=O)cc12	ZINC000008940054	554831504	/nfs/dbraw/zinc/83/15/04/554831504.db2.gz	LVPCPKXJIUTEPC-HSZRJFAPSA-N	-1	0	453.568	3.650	50	0		JHAARM
CSC[C@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-]	ZINC000009129664	554928395	/nfs/dbraw/zinc/92/83/95/554928395.db2.gz	RRWFGWKGMMMUJX-SFHVURJKSA-N	-1	0	457.548	3.900	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1	ZINC000009203803	554974101	/nfs/dbraw/zinc/97/41/01/554974101.db2.gz	MWHIPINIXOLIGF-UHFFFAOYSA-N	-1	0	469.519	3.715	50	0		JHAARM
CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000009327793	555098375	/nfs/dbraw/zinc/09/83/75/555098375.db2.gz	BLZJNPZBRDWBQN-UHFFFAOYSA-N	-1	0	467.551	3.525	50	0		JHAARM
COc1ccc(CNC(=O)c2ccc3c([O-])c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1	ZINC000009429634	555196819	/nfs/dbraw/zinc/19/68/19/555196819.db2.gz	UUPOJJDGGGMKFC-UHFFFAOYSA-N	-1	0	498.944	3.659	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCc2ccccc21	ZINC000009442327	555214251	/nfs/dbraw/zinc/21/42/51/555214251.db2.gz	SNLWYFGXOFKCED-LJQANCHMSA-N	-1	0	470.572	3.900	50	0		JHAARM
CC(=O)c1ccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)CC2)cc1	ZINC000009634906	555341096	/nfs/dbraw/zinc/34/10/96/555341096.db2.gz	CQHVXZZXELPBHQ-UHFFFAOYSA-N	-1	0	469.588	3.714	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)ccc1C	ZINC000009635348	555342476	/nfs/dbraw/zinc/34/24/76/555342476.db2.gz	IZHSNBXOZLDFKU-UHFFFAOYSA-N	-1	0	492.557	3.926	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)c2)on1	ZINC000009637986	555346109	/nfs/dbraw/zinc/34/61/09/555346109.db2.gz	YJCFDYLGAQIIPX-UHFFFAOYSA-N	-1	0	469.475	3.983	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(-c4ccno4)cc3)c2)on1	ZINC000009637981	555346197	/nfs/dbraw/zinc/34/61/97/555346197.db2.gz	RPLJPRMQDDJBDJ-UHFFFAOYSA-N	-1	0	469.475	3.983	50	0		JHAARM
Cc1cc(C)nc(SC2=C(Nc3cccc(C(=O)[O-])c3)C(=O)N(CCc3ccccc3)C2=O)n1	ZINC000013149255	555351976	/nfs/dbraw/zinc/35/19/76/555351976.db2.gz	PPGRMNMFTJSJDN-UHFFFAOYSA-N	-1	0	474.542	3.819	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1	ZINC000009562894	555364548	/nfs/dbraw/zinc/36/45/48/555364548.db2.gz	YZKTYBFGPNNVOB-UHFFFAOYSA-N	-1	0	470.503	3.528	50	0		JHAARM
O=C([O-])CN(C[C@@H](O)Cn1c2ccccc2c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1	ZINC000013362493	555388022	/nfs/dbraw/zinc/38/80/22/555388022.db2.gz	DAOAOLTZVWUZKQ-QGZVFWFLSA-N	-1	0	472.950	3.584	50	0		JHAARM
COc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1	ZINC000009671543	555391081	/nfs/dbraw/zinc/39/10/81/555391081.db2.gz	WMVNJPKLTLHYGC-UHFFFAOYSA-N	-1	0	456.520	3.831	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000009631762	555461350	/nfs/dbraw/zinc/46/13/50/555461350.db2.gz	YXMCKUQQRYMBKI-UHFFFAOYSA-N	-1	0	467.547	3.585	50	0		JHAARM
Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc12	ZINC000009789130	555507235	/nfs/dbraw/zinc/50/72/35/555507235.db2.gz	HYKHNYPWJQUZEC-UHFFFAOYSA-N	-1	0	451.552	3.662	50	0		JHAARM
COc1cc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)cc(OC)c1	ZINC000013692568	555587479	/nfs/dbraw/zinc/58/74/79/555587479.db2.gz	GRFKFAFHESSSPO-UHFFFAOYSA-N	-1	0	467.956	3.796	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4ccccc4C)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000013778768	555617806	/nfs/dbraw/zinc/61/78/06/555617806.db2.gz	SZXFTLFDOZCYIQ-AKFKNWHVSA-N	-1	0	488.496	3.762	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H]2Cc3ccccc3S2)c1	ZINC000010127134	555633497	/nfs/dbraw/zinc/63/34/97/555633497.db2.gz	PUVSFWLOLUWVGF-NRFANRHFSA-N	-1	0	456.545	3.857	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(Cl)ccc3C)[n-]c2=O)cc1	ZINC000010433698	555708005	/nfs/dbraw/zinc/70/80/05/555708005.db2.gz	OLRKCRMSSDLWJL-UHFFFAOYSA-N	-1	0	463.968	3.604	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C(F)(F)F)c4)c=3c2=O)cc1	ZINC000020215281	555711465	/nfs/dbraw/zinc/71/14/65/555711465.db2.gz	LWCBTLDTSUMBNK-RTBURBONSA-N	-1	0	459.428	3.761	50	0		JHAARM
C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000010732766	555736668	/nfs/dbraw/zinc/73/66/68/555736668.db2.gz	QIYNLGAWFBETOO-LYOQKUPSSA-N	-1	0	486.937	3.514	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc(N)c2ccccc2n1	ZINC000011220480	555767674	/nfs/dbraw/zinc/76/76/74/555767674.db2.gz	KDWCYEJVKHWHKO-UHFFFAOYSA-N	-1	0	466.494	3.817	50	0		JHAARM
CSc1cccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)[n-]2)c1	ZINC000020355877	555784964	/nfs/dbraw/zinc/78/49/64/555784964.db2.gz	RWHHOVJKWNMJNB-UHFFFAOYSA-N	-1	0	475.617	3.672	50	0		JHAARM
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[n-]2)cc1OC	ZINC000011695402	555802176	/nfs/dbraw/zinc/80/21/76/555802176.db2.gz	JCFSQVWNMAQQBF-UHFFFAOYSA-N	-1	0	499.531	3.522	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2[n-]c(-c3ccccc3)nc2SCC(=O)NC[C@@H]2CCCO2)cc1	ZINC000011695903	555803088	/nfs/dbraw/zinc/80/30/88/555803088.db2.gz	YRERFXFVJVYXFO-SFHVURJKSA-N	-1	0	471.604	3.605	50	0		JHAARM
CC[C@@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3cccc(C)c3C)c2C(=O)OC)C1	ZINC000011783514	555814533	/nfs/dbraw/zinc/81/45/33/555814533.db2.gz	SFBZKIMEPFRBLE-CYBMUJFWSA-N	-1	0	464.609	3.883	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(C(=O)[O-])cc3[N-]S(=O)(=O)c3cccc(C)c3)C[C@H]2C)c1	ZINC000021152431	555850073	/nfs/dbraw/zinc/85/00/73/555850073.db2.gz	QVDCEBXGQWQDBL-LJQANCHMSA-N	-1	0	480.590	3.913	50	0		JHAARM
Cc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1C(F)(F)F	ZINC000011997730	555879639	/nfs/dbraw/zinc/87/96/39/555879639.db2.gz	VZRZWKLDTHZPJM-UHFFFAOYSA-N	-1	0	482.889	3.535	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1Sc1nncn1C	ZINC000022197294	555884184	/nfs/dbraw/zinc/88/41/84/555884184.db2.gz	UWSOWJUOJNPNQR-UHFFFAOYSA-N	-1	0	469.386	3.928	50	0		JHAARM
Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000015670447	555926218	/nfs/dbraw/zinc/92/62/18/555926218.db2.gz	BIMFTRAXFIMICI-QGZVFWFLSA-N	-1	0	460.881	3.858	50	0		JHAARM
O=C([N-]C(=O)c1c(F)cccc1F)OCCN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000012428419	555979961	/nfs/dbraw/zinc/97/99/61/555979961.db2.gz	CWUOVMPKDPSJPJ-UHFFFAOYSA-N	-1	0	492.832	3.721	50	0		JHAARM
COc1ccc(NC(=O)c2ccncc2)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000012526272	555994364	/nfs/dbraw/zinc/99/43/64/555994364.db2.gz	IHMLFJDBZBANLQ-UHFFFAOYSA-N	-1	0	462.325	3.906	50	0		JHAARM
O=S(=O)([N-]c1ccccc1SCC(F)(F)F)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012541652	556015895	/nfs/dbraw/zinc/01/58/95/556015895.db2.gz	ITIFNDBDGBTRME-UHFFFAOYSA-N	-1	0	480.555	3.926	50	0		JHAARM
Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000023157807	556026123	/nfs/dbraw/zinc/02/61/23/556026123.db2.gz	TUVSBOHFBQPMMA-QGZVFWFLSA-N	-1	0	457.943	3.599	50	0		JHAARM
CCOc1ccc(OCC(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2O)cc1	ZINC000012548569	556026919	/nfs/dbraw/zinc/02/69/19/556026919.db2.gz	DWQGINZUFFAHJH-UHFFFAOYSA-N	-1	0	472.519	3.618	50	0		JHAARM
O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[n-]c2c1)N1CCN(c2ccccn2)CC1	ZINC000023212067	556031506	/nfs/dbraw/zinc/03/15/06/556031506.db2.gz	IMNDRFGOOUTNLX-UHFFFAOYSA-N	-1	0	492.004	3.744	50	0		JHAARM
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000015880083	556051709	/nfs/dbraw/zinc/05/17/09/556051709.db2.gz	UNJZBNPKRDWKJD-HMAPJEAMSA-N	-1	0	485.496	3.804	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ccccc3)CC2)c1	ZINC000012582846	556080503	/nfs/dbraw/zinc/08/05/03/556080503.db2.gz	MGHBPEDGVXMESI-UHFFFAOYSA-N	-1	0	465.575	3.767	50	0		JHAARM
NC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2cccc(Cl)c2)CC1	ZINC000023666850	556082668	/nfs/dbraw/zinc/08/26/68/556082668.db2.gz	NKFWVKWAVPYGEH-INIZCTEOSA-N	-1	0	457.943	3.697	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@@H]3C)ccc2OC)cc1Br	ZINC000015946965	556084341	/nfs/dbraw/zinc/08/43/41/556084341.db2.gz	USBXUBWJMMNTMF-FZMZJTMJSA-N	-1	0	469.357	3.862	50	0		JHAARM
CCSc1nc([O-])c(C(c2ccc(C(C)C)cc2)C2C(=O)N=C(SCC)NC2=O)c(=O)[nH]1	ZINC000016213557	556129243	/nfs/dbraw/zinc/12/92/43/556129243.db2.gz	IBLWROPEWUOYGK-UHFFFAOYSA-N	-1	0	474.608	3.792	50	0		JHAARM
COC(=O)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1)c1cccs1	ZINC000025084909	556179113	/nfs/dbraw/zinc/17/91/13/556179113.db2.gz	YPJCVBDEYRXKRC-SFHVURJKSA-N	-1	0	488.587	3.900	50	0		JHAARM
Cc1cc(NC(=O)COc2ccccc2)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017053503	556213941	/nfs/dbraw/zinc/21/39/41/556213941.db2.gz	OWDFJURKFTVLII-UHFFFAOYSA-N	-1	0	469.505	3.650	50	0		JHAARM
Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2nc3c(cnn3-c3ccc(C)c(C)c3)c(=O)[n-]2)n1	ZINC000017053562	556214092	/nfs/dbraw/zinc/21/40/92/556214092.db2.gz	UQAHNWFDAPWMNP-UHFFFAOYSA-N	-1	0	483.488	3.613	50	0		JHAARM
COc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)cc1	ZINC000017135708	556222570	/nfs/dbraw/zinc/22/25/70/556222570.db2.gz	PLXGNPJXOHVDAT-UHFFFAOYSA-N	-1	0	499.531	3.658	50	0		JHAARM
COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)cc1	ZINC000017135714	556222647	/nfs/dbraw/zinc/22/26/47/556222647.db2.gz	SFMDHTXAHQYKRI-UHFFFAOYSA-N	-1	0	483.532	3.822	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)c(OC)c1	ZINC000017135723	556222907	/nfs/dbraw/zinc/22/29/07/556222907.db2.gz	CZYJJTPAKPKATB-UHFFFAOYSA-N	-1	0	499.531	3.902	50	0		JHAARM
Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[N-]N3C(=O)N[C@@](C)(c4ccccc4)C3=O)cc12	ZINC000013029206	556223607	/nfs/dbraw/zinc/22/36/07/556223607.db2.gz	UWWJBRCQTBCIMC-DEOSSOPVSA-N	-1	0	477.521	3.706	50	0		JHAARM
Cc1c(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000026772203	556261514	/nfs/dbraw/zinc/26/15/14/556261514.db2.gz	IQVVGRBSBOLZLC-OAQYLSRUSA-N	-1	0	451.519	3.995	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCc3nnc4ccccn43)ccc2Cl)cc1	ZINC000018124297	556291183	/nfs/dbraw/zinc/29/11/83/556291183.db2.gz	OUPHWLVKZDDCHV-UHFFFAOYSA-N	-1	0	485.953	3.512	50	0		JHAARM
O=C(Nc1nc2ccccc2s1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000028714806	556340210	/nfs/dbraw/zinc/34/02/10/556340210.db2.gz	BNCACZHZTFGZMK-UHFFFAOYSA-N	-1	0	465.516	3.519	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1	ZINC000019622348	556357881	/nfs/dbraw/zinc/35/78/81/556357881.db2.gz	OPTUBKHUNQLGNK-HSZRJFAPSA-N	-1	0	480.542	3.673	50	0		JHAARM
O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000019816238	556382857	/nfs/dbraw/zinc/38/28/57/556382857.db2.gz	UVIRQGLSPISSBW-UHFFFAOYSA-N	-1	0	469.548	3.955	50	0		JHAARM
O=C([O-])[C@@H](c1c[nH]c2cc(OCc3ccccc3)ccc21)N1CCN(C(=O)c2ccco2)CC1	ZINC000032101528	556417044	/nfs/dbraw/zinc/41/70/44/556417044.db2.gz	UWJXLZKNXHBPMG-XMMPIXPASA-N	-1	0	459.502	3.924	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000032961900	556579702	/nfs/dbraw/zinc/57/97/02/556579702.db2.gz	PWTJMRXIQLEPCS-UHFFFAOYSA-N	-1	0	469.538	3.960	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NS(=O)(=O)c2ccccc2)c1	ZINC000032961899	556579759	/nfs/dbraw/zinc/57/97/59/556579759.db2.gz	NGTPHFOAFXRHHI-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)cc(=O)c2c1	ZINC000008606754	562946907	/nfs/dbraw/zinc/94/69/07/562946907.db2.gz	UUOPXNISWJDTSG-UHFFFAOYSA-N	-1	0	464.503	3.561	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)cc2)n1	ZINC000008606760	562946956	/nfs/dbraw/zinc/94/69/56/562946956.db2.gz	GHFHOWQIBBKFEZ-UHFFFAOYSA-N	-1	0	464.503	3.561	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000008686621	562952898	/nfs/dbraw/zinc/95/28/98/562952898.db2.gz	ITIGNSOIRBVSCY-UHFFFAOYSA-N	-1	0	479.407	3.977	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2)cc1	ZINC000040017124	563136896	/nfs/dbraw/zinc/13/68/96/563136896.db2.gz	AWFJXPDAFOBTRJ-DEOSSOPVSA-N	-1	0	465.575	3.723	50	0		JHAARM
COc1ccc([C@H](C)Nc2nc(CN3CCOCC3)nc3sc(C(=O)[O-])c(C)c32)cc1F	ZINC000008718258	569597047	/nfs/dbraw/zinc/59/70/47/569597047.db2.gz	DPPOFGSXHSIJLV-ZDUSSCGKSA-N	-1	0	460.531	3.851	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2OC)c1	ZINC000032975771	569606425	/nfs/dbraw/zinc/60/64/25/569606425.db2.gz	IKWXWMXIQBPTAT-WOJBJXKFSA-N	-1	0	456.564	3.734	50	0		JHAARM
CCCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)cc2C(=O)[O-])cc1	ZINC000033007093	569615240	/nfs/dbraw/zinc/61/52/40/569615240.db2.gz	PVLGCWUSXMHFGO-UHFFFAOYSA-N	-1	0	480.590	3.860	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-]	ZINC000063620118	569615782	/nfs/dbraw/zinc/61/57/82/569615782.db2.gz	QYTFXLSVVGHYAE-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2F)n(C)c(=O)n3C)cc1	ZINC000064580875	569620672	/nfs/dbraw/zinc/62/06/72/569620672.db2.gz	MOKYEZDVAHHQNG-UHFFFAOYSA-N	-1	0	473.551	3.977	50	0		JHAARM
Cc1cccc(C(=O)Nc2ccc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2C(=O)[O-])c1	ZINC000064589660	569621113	/nfs/dbraw/zinc/62/11/13/569621113.db2.gz	HYLCFZXLODOZFA-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Sc3cc(C)nc4nc(C)nn43)cc2)c1	ZINC000033276039	569622004	/nfs/dbraw/zinc/62/20/04/569622004.db2.gz	WGUPRYXJLTUWMH-UHFFFAOYSA-N	-1	0	471.564	3.710	50	0		JHAARM
COc1ccc(NC(=O)CSc2nnc(-c3cc(C)cc(C)c3NC(C)=O)c(=O)[n-]2)cc1	ZINC000064774479	569626394	/nfs/dbraw/zinc/62/63/94/569626394.db2.gz	YXSZQHPINDEKOB-UHFFFAOYSA-N	-1	0	453.524	3.559	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC000064843570	569638153	/nfs/dbraw/zinc/63/81/53/569638153.db2.gz	UYJXXDXXYBOIMB-UHFFFAOYSA-N	-1	0	471.583	3.749	50	0		JHAARM
Cc1c(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc(C(=O)N2CCCCC2)n1C	ZINC000064922257	569646136	/nfs/dbraw/zinc/64/61/36/569646136.db2.gz	PPDWRKOSXYQQOZ-UHFFFAOYSA-N	-1	0	454.390	3.831	50	0		JHAARM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc2c(cc1Cl)N(Cc1noc(C)n1)C(=O)CO2	ZINC000065022429	569648985	/nfs/dbraw/zinc/64/89/85/569648985.db2.gz	INOGLTCVAYWVQF-UHFFFAOYSA-N	-1	0	476.942	3.629	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cn3)c(C)n2C)sc1C(=O)N1CCC(C)CC1	ZINC000065036162	569653115	/nfs/dbraw/zinc/65/31/15/569653115.db2.gz	ZWUUACZJPWJJJH-UHFFFAOYSA-N	-1	0	487.651	4.142	50	0		JHAARM
O=C(CCc1nnc(-c2ccc(OCc3ccccc3F)cc2)[n-]c1=O)NCCc1ccccn1	ZINC000034763002	569658000	/nfs/dbraw/zinc/65/80/00/569658000.db2.gz	IGXGDFRMBBZJPU-UHFFFAOYSA-N	-1	0	473.508	3.649	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[n-]2)ccc1OCc1ccc(F)cc1	ZINC000034766388	569658424	/nfs/dbraw/zinc/65/84/24/569658424.db2.gz	NOLMUSSXFYSZFO-UHFFFAOYSA-N	-1	0	466.513	3.962	50	0		JHAARM
CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCc3ccccc3F)c(OC)c2)[n-]c1=O	ZINC000034766401	569658430	/nfs/dbraw/zinc/65/84/30/569658430.db2.gz	LKOUPXGSTRFCNM-OAHLLOKOSA-N	-1	0	454.502	3.818	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[n-]2)cc(OC)c1OC	ZINC000034767970	569658794	/nfs/dbraw/zinc/65/87/94/569658794.db2.gz	BPLPQKZUMOJXCZ-UHFFFAOYSA-N	-1	0	492.454	3.538	50	0		JHAARM
Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000065097591	569661268	/nfs/dbraw/zinc/66/12/68/569661268.db2.gz	SOSNBIPULRYSKH-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000065116506	569666360	/nfs/dbraw/zinc/66/63/60/569666360.db2.gz	QBLJDELUTSZLLS-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
CCc1c([O-])nc(SCC(=O)NCc2ccc(Cl)cc2)n(-c2ccccc2OC)c1=O	ZINC000065562669	569675965	/nfs/dbraw/zinc/67/59/65/569675965.db2.gz	BXNDIMKKGHAPMB-UHFFFAOYSA-N	-1	0	459.955	3.571	50	0		JHAARM
COc1c2c(cc([C@@H]3CC(=O)Nc4c(C(=O)[O-])cn(-c5ccc(F)cc5)c43)c1OC)OCO2	ZINC000066087874	569676723	/nfs/dbraw/zinc/67/67/23/569676723.db2.gz	BFGUJEVWXROHGC-ZDUSSCGKSA-N	-1	0	454.410	3.535	50	0		JHAARM
COc1c2c(cc([C@H]3CC(=O)Nc4c(C(=O)[O-])cn(-c5ccc(F)cc5)c43)c1OC)OCO2	ZINC000066087875	569676824	/nfs/dbraw/zinc/67/68/24/569676824.db2.gz	BFGUJEVWXROHGC-CYBMUJFWSA-N	-1	0	454.410	3.535	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cnc1N1CCC[C@@H](C[NH+]2CCCC2)C1	ZINC000035397831	569688382	/nfs/dbraw/zinc/68/83/82/569688382.db2.gz	ZXCRYMVKEBJLAQ-AWEZNQCLSA-N	-1	0	485.031	3.608	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3cc(F)ccc3C)cc2C(=O)[O-])c1C	ZINC000035397872	569688563	/nfs/dbraw/zinc/68/85/63/569688563.db2.gz	RZAZVVDCRRDCKC-UHFFFAOYSA-N	-1	0	489.573	3.540	50	0		JHAARM
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC([NH+]3CCCCC3)CC2)cc1	ZINC000035397906	569688620	/nfs/dbraw/zinc/68/86/20/569688620.db2.gz	JCPWODVIBVIKEX-UHFFFAOYSA-N	-1	0	472.611	3.598	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CN(C)c3nc4ccccc4s3)cc2)nc(C)n1	ZINC000070640837	569695480	/nfs/dbraw/zinc/69/54/80/569695480.db2.gz	XJDWCSMYRPTQAP-UHFFFAOYSA-N	-1	0	482.591	3.579	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccccc2F)ccc1N1CCCN(c2ccc(Cl)nn2)CC1	ZINC000035556690	569703221	/nfs/dbraw/zinc/70/32/21/569703221.db2.gz	XHKOVJLRJACXBB-UHFFFAOYSA-N	-1	0	469.904	3.936	50	0		JHAARM
CC(C)[C@H](CC(=O)N1CCN(C)CC1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000096115251	569734211	/nfs/dbraw/zinc/73/42/11/569734211.db2.gz	YHXSIKPNVNWSPQ-SFHVURJKSA-N	-1	0	450.535	3.775	50	0	biogenic	JHAARM
Cc1noc(C)c1Cc1ccc(C(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)o1	ZINC000097111800	569744248	/nfs/dbraw/zinc/74/42/48/569744248.db2.gz	JHAUXINTCBHICN-UHFFFAOYSA-N	-1	0	469.501	3.677	50	0		JHAARM
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100662884	569766246	/nfs/dbraw/zinc/76/62/46/569766246.db2.gz	MDSODQQABSRCGF-UHFFFAOYSA-N	-1	0	472.545	3.870	50	0		JHAARM
COc1ccc(OC)c(NC(=O)C(=O)C(=C([O-])c2ccccc2F)[C@@H]2OC(=O)c3ccccc32)c1	ZINC000100742153	569768429	/nfs/dbraw/zinc/76/84/29/569768429.db2.gz	SCYNTKUOZGLNSD-ZJSXRUAMSA-N	-1	0	477.444	3.761	50	0		JHAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3cccc(Cl)c3)c2=O)C[C@H]1c1ccc(C(C)C)cc1	ZINC000101456192	569798268	/nfs/dbraw/zinc/79/82/68/569798268.db2.gz	DWYOOMIHTNRLCM-FQEVSTJZSA-N	-1	0	466.925	3.706	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C	ZINC000101628442	569802090	/nfs/dbraw/zinc/80/20/90/569802090.db2.gz	PSRMJPNBRCZMCB-OALUTQOASA-N	-1	0	456.564	3.788	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101893037	569807437	/nfs/dbraw/zinc/80/74/37/569807437.db2.gz	AQWHOBYEKLRTCA-MOPGFXCFSA-N	-1	0	466.885	3.671	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000102002044	569808776	/nfs/dbraw/zinc/80/87/76/569808776.db2.gz	SATMQKXJAPUZDC-CVEARBPZSA-N	-1	0	452.685	3.579	50	0		JHAARM
C[C@@H](NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(Cl)cc1Cl	ZINC000039577231	569810915	/nfs/dbraw/zinc/81/09/15/569810915.db2.gz	IGRVQKYUOYSWCX-VXGBXAGGSA-N	-1	0	459.351	3.788	50	0		JHAARM
Cc1c(-c2nnc(SCC(=O)[O-])n2-c2ccc(Br)cc2)nnn1-c1ccccc1	ZINC000039933084	569812369	/nfs/dbraw/zinc/81/23/69/569812369.db2.gz	ZWJWMFPVBHMYHP-UHFFFAOYSA-N	-1	0	471.340	3.763	50	0		JHAARM
COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc1	ZINC000040146714	569818234	/nfs/dbraw/zinc/81/82/34/569818234.db2.gz	LHTXVEGVIIIISD-NRFANRHFSA-N	-1	0	499.614	3.730	50	0		JHAARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4OCC(=O)[O-])[C@H]3C2=O)c(C)c1	ZINC000102762617	569822559	/nfs/dbraw/zinc/82/25/59/569822559.db2.gz	IVMLNIBWUHXTQG-DSNGMDLFSA-N	-1	0	472.497	3.818	50	0		JHAARM
COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)c1	ZINC000102810704	569824058	/nfs/dbraw/zinc/82/40/58/569824058.db2.gz	ZEZANUCJTQUDTB-GOSISDBHSA-N	-1	0	454.870	3.789	50	0		JHAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1	ZINC000040450666	569828765	/nfs/dbraw/zinc/82/87/65/569828765.db2.gz	CKTVQSVHOXQGOJ-NSHDSACASA-N	-1	0	451.342	3.750	50	0		JHAARM
O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000103103727	569832913	/nfs/dbraw/zinc/83/29/13/569832913.db2.gz	HUULPMZFKSWNQA-MIZPHKNDSA-N	-1	0	471.435	3.765	50	0		JHAARM
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(OC)c(OC)c2)CC(=O)N3)c(OC)c1	ZINC000049543314	569848384	/nfs/dbraw/zinc/84/83/84/569848384.db2.gz	QSVXSJHPUGWGHQ-HNNXBMFYSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(OC)cc4OC)c32)c(OC)c1	ZINC000049543342	569848491	/nfs/dbraw/zinc/84/84/91/569848491.db2.gz	HSLGWXXLZLLONH-MRXNPFEDSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C(F)(F)F)C[C@H]1C(=O)[O-]	ZINC000169725680	569871551	/nfs/dbraw/zinc/87/15/51/569871551.db2.gz	YLMJFZPODINUBI-ZDUSSCGKSA-N	-1	0	453.255	3.978	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C(F)(F)F)C[C@H]1C(=O)[O-]	ZINC000169725655	569871560	/nfs/dbraw/zinc/87/15/60/569871560.db2.gz	FGZHHOUXDQHONF-LBPRGKRZSA-N	-1	0	453.255	3.978	50	0		JHAARM
C[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NCc2cccnc2)C1	ZINC000239105300	570048926	/nfs/dbraw/zinc/04/89/26/570048926.db2.gz	IEVMCWZJCFFHPB-DJIMGWMZSA-N	-1	0	453.564	3.803	50	0		JHAARM
O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000245257872	570060710	/nfs/dbraw/zinc/06/07/10/570060710.db2.gz	FVOVJCMDSUYMEV-VYWDLEIRSA-N	-1	0	498.626	3.555	50	0		JHAARM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@](C)(C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-])C(C)C	ZINC000253388032	570095384	/nfs/dbraw/zinc/09/53/84/570095384.db2.gz	AQOHICYLWWFGDN-COBOJONBSA-N	-1	0	468.660	3.510	50	0	biogenic	JHAARM
COc1cccc(NC(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)c1	ZINC000253470840	570099178	/nfs/dbraw/zinc/09/91/78/570099178.db2.gz	GYZPQYUZVALBHF-SFHVURJKSA-N	-1	0	469.490	3.849	50	0		JHAARM
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000000657704	193881152	/nfs/dbraw/zinc/88/11/52/193881152.db2.gz	NVFUKRKGVOIEJG-XDHOZWIPSA-N	-1	0	460.442	3.532	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)n1	ZINC000000940867	193987379	/nfs/dbraw/zinc/98/73/79/193987379.db2.gz	ARKNHESFAKIYTN-UHFFFAOYSA-N	-1	0	467.370	3.971	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CC4(CCCC4)C3=O)c(Cl)c2)c(OC)c1	ZINC000001048469	194009218	/nfs/dbraw/zinc/00/92/18/194009218.db2.gz	HSLCDLUHRVNKME-UHFFFAOYSA-N	-1	0	478.954	3.982	50	0		JHAARM
Cc1ccccc1N1C(=O)[N-]C(=O)[C@@](CCc2ccncc2)(Cc2ccc3c(c2)OCO3)C1=O	ZINC000001129098	194037973	/nfs/dbraw/zinc/03/79/73/194037973.db2.gz	PJWSETBAAABRIA-AREMUKBSSA-N	-1	0	457.486	3.563	50	0		JHAARM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1Br	ZINC000001160112	194054577	/nfs/dbraw/zinc/05/45/77/194054577.db2.gz	RIVPXRMWOJLEPI-UHFFFAOYSA-N	-1	0	453.314	3.681	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)nc(C)n1	ZINC000001218679	194073377	/nfs/dbraw/zinc/07/33/77/194073377.db2.gz	GHIQRWKSGFTMOL-AWEZNQCLSA-N	-1	0	460.943	3.954	50	0		JHAARM
COC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)c1ccccc21	ZINC000001320768	194084315	/nfs/dbraw/zinc/08/43/15/194084315.db2.gz	XFTBJZWYYIMVKJ-UHFFFAOYSA-N	-1	0	479.514	3.672	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1	ZINC000001652521	194130651	/nfs/dbraw/zinc/13/06/51/194130651.db2.gz	DTCGICIUPABHAN-GBQPJDALSA-N	-1	0	453.498	3.751	50	0		JHAARM
O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)NCc1ccc2c(c1)OCO2	ZINC000002973744	194190045	/nfs/dbraw/zinc/19/00/45/194190045.db2.gz	VRSOVINVVCTIHV-UHFFFAOYSA-N	-1	0	476.352	3.647	50	0		JHAARM
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc2)n1	ZINC000003236231	194247234	/nfs/dbraw/zinc/24/72/34/194247234.db2.gz	LYIPOPLYDPCDTK-UHFFFAOYSA-N	-1	0	476.562	3.949	50	0		JHAARM
COc1cccc(N2CCN(C(=O)c3cc(Br)cc(Br)c3[O-])CC2)c1	ZINC000003373304	194306519	/nfs/dbraw/zinc/30/65/19/194306519.db2.gz	CWBYXZFMOPFDAU-UHFFFAOYSA-N	-1	0	470.161	3.888	50	0		JHAARM
Cc1cc(S(=O)(=O)[N-]c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)ccc1F	ZINC000003407018	194314036	/nfs/dbraw/zinc/31/40/36/194314036.db2.gz	LKFCYKXTHAUDLB-UHFFFAOYSA-N	-1	0	476.599	3.651	50	0		JHAARM
Cc1csc(NC(=O)[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)c2ccccc2)n1	ZINC000004101280	194377591	/nfs/dbraw/zinc/37/75/91/194377591.db2.gz	NLXSMFJARMCGJM-CQSZACIVSA-N	-1	0	472.411	3.934	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000012605141	195050505	/nfs/dbraw/zinc/05/05/05/195050505.db2.gz	FHLWHORDCHXZJV-DTQAZKPQSA-N	-1	0	450.582	3.673	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1c(Cl)cccc1Cl	ZINC000012605647	195051353	/nfs/dbraw/zinc/05/13/53/195051353.db2.gz	IFBFZPZZJBYRPE-UHFFFAOYSA-N	-1	0	461.348	3.866	50	0		JHAARM
CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)cc1	ZINC000012630675	195062552	/nfs/dbraw/zinc/06/25/52/195062552.db2.gz	XEKMAJVNZIOQQX-UHFFFAOYSA-N	-1	0	473.576	3.836	50	0		JHAARM
COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000012655421	195078047	/nfs/dbraw/zinc/07/80/47/195078047.db2.gz	MAAYKLHGUSVANJ-NDENLUEZSA-N	-1	0	460.442	3.532	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)OCC)cc3)s2)on1	ZINC000020994816	195263508	/nfs/dbraw/zinc/26/35/08/195263508.db2.gz	BBKGIAYPHWRWQH-UHFFFAOYSA-N	-1	0	450.494	3.557	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NCC(C)C	ZINC000096317714	130062079	/nfs/dbraw/zinc/06/20/79/130062079.db2.gz	PGHZLXMTUVAFTH-UHFFFAOYSA-N	-1	0	492.598	3.720	50	0		JHAARM
C[C@@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000096488354	130105129	/nfs/dbraw/zinc/10/51/29/130105129.db2.gz	QIYNLGAWFBETOO-HYMFSAHRSA-N	-1	0	486.937	3.514	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C(=O)[O-])C1	ZINC000004202270	518808950	/nfs/dbraw/zinc/80/89/50/518808950.db2.gz	QXTDDEUDYKMSQN-NRFANRHFSA-N	-1	0	452.507	3.941	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(C(F)(F)F)c2)CC1	ZINC000016690237	520959586	/nfs/dbraw/zinc/95/95/86/520959586.db2.gz	YVVNKYRTRHKSGM-MRXNPFEDSA-N	-1	0	483.516	3.941	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(C(F)(F)F)c2)CC1	ZINC000016690236	520962379	/nfs/dbraw/zinc/96/23/79/520962379.db2.gz	YVVNKYRTRHKSGM-INIZCTEOSA-N	-1	0	483.516	3.941	50	0		JHAARM
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(Br)c2)C1=O	ZINC000009720722	521014714	/nfs/dbraw/zinc/01/47/14/521014714.db2.gz	UBDUFKLYZIYFLW-PKTIUJEHSA-N	-1	0	479.146	3.905	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])C1	ZINC000033253392	521119853	/nfs/dbraw/zinc/11/98/53/521119853.db2.gz	YYAIRIXJTMUXAV-QGZVFWFLSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(C(=O)[O-])cc4)cc3C2=O)cc1	ZINC000004113441	521483825	/nfs/dbraw/zinc/48/38/25/521483825.db2.gz	MWKNMJYUQZJMJO-UHFFFAOYSA-N	-1	0	458.426	3.614	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(-c4ccccc4)nn3)c2C)c1	ZINC000033307966	521546323	/nfs/dbraw/zinc/54/63/23/521546323.db2.gz	YPCOEPQLJCTUBM-UHFFFAOYSA-N	-1	0	477.546	3.924	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c1)NC(=O)CCC2=O	ZINC000065011157	521557174	/nfs/dbraw/zinc/55/71/74/521557174.db2.gz	FMBKFCYELGQEQH-UHFFFAOYSA-N	-1	0	482.562	3.993	50	0		JHAARM
CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3cccc(C)c3)s2)n1	ZINC000008869058	521694345	/nfs/dbraw/zinc/69/43/45/521694345.db2.gz	YAIDLRGRRJCYRA-UHFFFAOYSA-N	-1	0	470.001	3.628	50	0		JHAARM
COc1cc(/C=C(/NC(C)=O)C(=O)[O-])cc(I)c1OCc1cccc(F)c1	ZINC000002240503	521922237	/nfs/dbraw/zinc/92/22/37/521922237.db2.gz	AYDDSDHXABUKNN-LZYBPNLTSA-N	-1	0	485.249	3.580	50	0		JHAARM
CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3cc(OC)ccc3OC)c1)NC(=O)CCC2=O	ZINC000033276663	522706701	/nfs/dbraw/zinc/70/67/01/522706701.db2.gz	HBPSMSKMXSRRLI-UHFFFAOYSA-N	-1	0	498.561	3.611	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(C(C)=O)cc1	ZINC000045900317	522926374	/nfs/dbraw/zinc/92/63/74/522926374.db2.gz	MTVDMUXJRRQSJA-IBGZPJMESA-N	-1	0	465.535	3.502	50	0		JHAARM
CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000016100962	523347057	/nfs/dbraw/zinc/34/70/57/523347057.db2.gz	IFWHPCOBRKCCID-UHFFFAOYSA-N	-1	0	450.969	3.962	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2cn3cccnc3n2)c1	ZINC000016448785	523508807	/nfs/dbraw/zinc/50/88/07/523508807.db2.gz	RKQKCCDYLZNYPP-UHFFFAOYSA-N	-1	0	459.325	3.968	50	0		JHAARM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1OC	ZINC000033123217	524066136	/nfs/dbraw/zinc/06/61/36/524066136.db2.gz	IGKBPPNXBYJLIL-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
Cc1ccc(CN2C[C@@H](C(=O)Nc3nnc(SCc4ccc(C(=O)[O-])cc4)s3)CC2=O)cc1	ZINC000008727754	524480678	/nfs/dbraw/zinc/48/06/78/524480678.db2.gz	UTBHKKIMQVFCFQ-SFHVURJKSA-N	-1	0	482.587	3.824	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)c1	ZINC000033389321	524647814	/nfs/dbraw/zinc/64/78/14/524647814.db2.gz	JOEPDZDGXOKZOF-BENRWUELSA-N	-1	0	452.488	3.877	50	0		JHAARM
Cc1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cc3c(cc2C)OCC(=O)N3)c1	ZINC000012462837	524661984	/nfs/dbraw/zinc/66/19/84/524661984.db2.gz	RWMSZOVEEVPPRJ-UHFFFAOYSA-N	-1	0	451.504	3.687	50	0		JHAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccccc4)cc3C(=O)[O-])CC2)cc1	ZINC000033078702	525053368	/nfs/dbraw/zinc/05/33/68/525053368.db2.gz	BPBQGKAQGWPBSO-UHFFFAOYSA-N	-1	0	472.545	3.706	50	0		JHAARM
COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1OC	ZINC000022609399	525383790	/nfs/dbraw/zinc/38/37/90/525383790.db2.gz	GFIZPEIFBXVGTP-HXUWFJFHSA-N	-1	0	469.542	3.564	50	0		JHAARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc(I)c1	ZINC000016226417	525462945	/nfs/dbraw/zinc/46/29/45/525462945.db2.gz	VFFDDCBTYBFPSH-UHFFFAOYSA-N	-1	0	465.266	3.789	50	0		JHAARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(I)cc1	ZINC000016202189	525463327	/nfs/dbraw/zinc/46/33/27/525463327.db2.gz	CLLSAMGOVHBJKU-UHFFFAOYSA-N	-1	0	465.266	3.789	50	0		JHAARM
Cc1ccc2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)oc2c1C	ZINC000008845864	526117991	/nfs/dbraw/zinc/11/79/91/526117991.db2.gz	FWLWOXCGTPFCJA-UHFFFAOYSA-N	-1	0	455.517	3.919	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CCN(Cc2cccc(F)c2)CC1	ZINC000033253219	526353969	/nfs/dbraw/zinc/35/39/69/526353969.db2.gz	XCWMFTCVCLHCIP-UHFFFAOYSA-N	-1	0	469.538	3.647	50	0		JHAARM
O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1c(F)cc(F)cc1Br	ZINC000012525883	527251892	/nfs/dbraw/zinc/25/18/92/527251892.db2.gz	KCOXMLJXKIVSIK-UHFFFAOYSA-N	-1	0	456.272	3.517	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-]	ZINC000033253681	527620521	/nfs/dbraw/zinc/62/05/21/527620521.db2.gz	UVQPEQFNZONGJW-UHFFFAOYSA-N	-1	0	474.558	3.744	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)[O-]	ZINC000033253698	527620746	/nfs/dbraw/zinc/62/07/46/527620746.db2.gz	XOJRIXUUPWQBJC-UHFFFAOYSA-N	-1	0	492.548	3.883	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1C(=O)[O-]	ZINC000033253700	527621677	/nfs/dbraw/zinc/62/16/77/527621677.db2.gz	MXGOHKHABRQWEV-UHFFFAOYSA-N	-1	0	470.595	3.913	50	0		JHAARM
CC(C)(C)OC(=O)N1C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H]1C(=O)[O-]	ZINC000000642572	553724334	/nfs/dbraw/zinc/72/43/34/553724334.db2.gz	UPXRTVAIJMUAQR-QVKFZJNVSA-N	-1	0	452.507	3.988	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)ncn1	ZINC000001154555	553917935	/nfs/dbraw/zinc/91/79/35/553917935.db2.gz	GADHYTYOWIXXKC-UHFFFAOYSA-N	-1	0	453.307	3.845	50	0		JHAARM
Cc1c(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc2c3c(c(=O)oc12)CCCC3	ZINC000002107703	554047671	/nfs/dbraw/zinc/04/76/71/554047671.db2.gz	OQRCXPBLWJEGKS-QFIPXVFZSA-N	-1	0	474.513	3.652	50	0	biogenic	JHAARM
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])ccc23)cc1	ZINC000002119737	554055140	/nfs/dbraw/zinc/05/51/40/554055140.db2.gz	XFWSAKIPUCGUJZ-QHCPKHFHSA-N	-1	0	487.508	3.968	50	0	biogenic	JHAARM
CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002138561	554063210	/nfs/dbraw/zinc/06/32/10/554063210.db2.gz	NHYDKYOYHCNBLD-YUNKPMOVSA-N	-1	0	498.919	3.775	50	0	biogenic	JHAARM
Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)[O-])c(C)c3cc2c1C	ZINC000002158172	554073449	/nfs/dbraw/zinc/07/34/49/554073449.db2.gz	FCEWBUHSEPWHAK-NRFANRHFSA-N	-1	0	463.486	3.915	50	0	biogenic	JHAARM
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2C(=O)[O-])cc1	ZINC000002234925	554107246	/nfs/dbraw/zinc/10/72/46/554107246.db2.gz	HQUVLNVSNIYUTR-UHFFFAOYSA-N	-1	0	484.315	3.905	50	0		JHAARM
CSCC[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000002275435	554128743	/nfs/dbraw/zinc/12/87/43/554128743.db2.gz	WNTOYMIYHAEKCQ-XIDKLXSXSA-N	-1	0	477.380	3.543	50	0		JHAARM
COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000002283111	554131968	/nfs/dbraw/zinc/13/19/68/554131968.db2.gz	PHJJXXSKPAHAGV-CWDSQJGSSA-N	-1	0	489.366	3.844	50	0		JHAARM
CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(SCC(=O)[O-])n1	ZINC000002368146	554168869	/nfs/dbraw/zinc/16/88/69/554168869.db2.gz	WOYVCKYJHMOCIM-UHFFFAOYSA-N	-1	0	492.648	3.826	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)NC1(C(F)(F)F)Oc2ccccc2O1	ZINC000002689887	554285429	/nfs/dbraw/zinc/28/54/29/554285429.db2.gz	YTUYHLORCXDSGX-UHFFFAOYSA-N	-1	0	486.453	3.753	50	0		JHAARM
O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1cc(Br)c(Br)s1	ZINC000002788970	554345467	/nfs/dbraw/zinc/34/54/67/554345467.db2.gz	OOHDYFGMPCFKTI-UHFFFAOYSA-N	-1	0	461.160	3.656	50	0		JHAARM
COc1cccc(CNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)cc2)c1	ZINC000002975420	554415722	/nfs/dbraw/zinc/41/57/22/554415722.db2.gz	JCIYHRPARHZIQE-UHFFFAOYSA-N	-1	0	475.526	3.775	50	0		JHAARM
COc1ccc(Cn2c(=O)c3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3[n-]c2=S)cc1	ZINC000003630328	554467671	/nfs/dbraw/zinc/46/76/71/554467671.db2.gz	SQUSTLVOBOCAHW-UHFFFAOYSA-N	-1	0	486.597	3.705	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O	ZINC000003631242	554467977	/nfs/dbraw/zinc/46/79/77/554467977.db2.gz	IVXTUKKGKOKHCC-UHFFFAOYSA-N	-1	0	459.527	3.960	50	0		JHAARM
COc1ccc(C[C@H](C(=O)Nc2ccc(I)cc2)[C@@H](C)C(=O)[O-])cc1	ZINC000008432462	554585809	/nfs/dbraw/zinc/58/58/09/554585809.db2.gz	UNTXCKRKTHFGCQ-PXAZEXFGSA-N	-1	0	453.276	3.818	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1	ZINC000008826132	554715157	/nfs/dbraw/zinc/71/51/57/554715157.db2.gz	PBRHRERVFMNXHA-UHFFFAOYSA-N	-1	0	498.586	3.523	50	0		JHAARM
CCc1ccc([C@@H](CC(=O)N2CCN(c3ccccc3F)CC2)[N-]C(=O)C(F)(F)F)cc1	ZINC000008857229	554753647	/nfs/dbraw/zinc/75/36/47/554753647.db2.gz	KMUKCPNHVCIMFD-LJQANCHMSA-N	-1	0	451.464	3.847	50	0		JHAARM
COc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c(C(=O)[O-])cc1OC	ZINC000008861266	554758146	/nfs/dbraw/zinc/75/81/46/554758146.db2.gz	RRIANCLCTPENFQ-UHFFFAOYSA-N	-1	0	452.463	3.583	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1C(=O)N1CCCCC1	ZINC000009095000	554892643	/nfs/dbraw/zinc/89/26/43/554892643.db2.gz	FPRIIQYCZQRKAT-UHFFFAOYSA-N	-1	0	497.573	3.645	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCOCC1	ZINC000009097259	554896061	/nfs/dbraw/zinc/89/60/61/554896061.db2.gz	NTHFJEGQNQSAOL-UHFFFAOYSA-N	-1	0	485.537	3.724	50	0		JHAARM
CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1	ZINC000009114396	554901289	/nfs/dbraw/zinc/90/12/89/554901289.db2.gz	PQCAPHJAYCOAGG-UHFFFAOYSA-N	-1	0	486.390	3.729	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2NC(=O)c2c(OC)cccc2OC)cc1	ZINC000009139375	554934066	/nfs/dbraw/zinc/93/40/66/554934066.db2.gz	GLGADZYOXNSVLE-UHFFFAOYSA-N	-1	0	472.519	3.774	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@H]2CCCO2)ccc1N1CCCCC1	ZINC000009218472	554987445	/nfs/dbraw/zinc/98/74/45/554987445.db2.gz	CSOSNFQTYRSGKP-OAQYLSRUSA-N	-1	0	459.568	3.604	50	0		JHAARM
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccn3-c3cccc(C(=O)[O-])c3)C2=O)o1	ZINC000009265540	555041707	/nfs/dbraw/zinc/04/17/07/555041707.db2.gz	AFVZSIOLNKWADV-WOJGMQOQSA-N	-1	0	452.444	3.792	50	0		JHAARM
COc1ccccc1-n1c(=O)c(Cc2ccccc2)c([O-])nc1SCC(=O)NC(C)(C)C	ZINC000009310633	555086516	/nfs/dbraw/zinc/08/65/16/555086516.db2.gz	GXXNWJLMINFWKV-UHFFFAOYSA-N	-1	0	453.564	3.544	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3cncc(Br)c3)ccc2OC)cc1	ZINC000009443073	555215797	/nfs/dbraw/zinc/21/57/97/555215797.db2.gz	DEMXTDCOXBWOEH-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000009458740	555226878	/nfs/dbraw/zinc/22/68/78/555226878.db2.gz	XIPJFVLQFHAEMC-ZDXQCDESSA-N	-1	0	488.496	3.762	50	0		JHAARM
CCCCN(C)C(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1O	ZINC000009490555	555266364	/nfs/dbraw/zinc/26/63/64/555266364.db2.gz	DLOUHFWLXHZVRN-UHFFFAOYSA-N	-1	0	455.580	3.842	50	0		JHAARM
CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000009492333	555271916	/nfs/dbraw/zinc/27/19/16/555271916.db2.gz	YEVXRWLVKPEMJL-UHFFFAOYSA-N	-1	0	473.620	3.881	50	0		JHAARM
CN1CCCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c2nc3ccccc3nc21	ZINC000009495829	555280564	/nfs/dbraw/zinc/28/05/64/555280564.db2.gz	NQICFWLBPDQYPM-UHFFFAOYSA-N	-1	0	467.334	3.670	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)ccc1C	ZINC000009510032	555298739	/nfs/dbraw/zinc/29/87/39/555298739.db2.gz	CSZBJRMVKAGNKA-NRFANRHFSA-N	-1	0	454.504	3.583	50	0		JHAARM
O=C([O-])CCCC(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1	ZINC000009546397	555341637	/nfs/dbraw/zinc/34/16/37/555341637.db2.gz	TVLZYEPTCHWGKK-UHFFFAOYSA-N	-1	0	483.366	3.963	50	0		JHAARM
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)[N-]c3ccc(C)c(N(C)C)c3)c2)on1	ZINC000009637966	555346226	/nfs/dbraw/zinc/34/62/26/555346226.db2.gz	KUFZTYHTCNNHTA-UHFFFAOYSA-N	-1	0	459.524	3.702	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1	ZINC000009670130	555386092	/nfs/dbraw/zinc/38/60/92/555386092.db2.gz	DKBXHTIQAKVYIC-UHFFFAOYSA-N	-1	0	450.925	3.861	50	0		JHAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnc(Nc2cccc(F)c2)s1	ZINC000013401317	555395736	/nfs/dbraw/zinc/39/57/36/555395736.db2.gz	RBSJGTVPFHUUAG-QGZVFWFLSA-N	-1	0	471.539	3.806	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(Oc2ccccc2)cc1	ZINC000009675247	555400212	/nfs/dbraw/zinc/40/02/12/555400212.db2.gz	VBXJDNPYCLIYDI-YADHBBJMSA-N	-1	0	477.427	3.689	50	0		JHAARM
Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[N-]N3C(=O)NC4(CCCCC4)C3=O)cc12	ZINC000009591606	555405649	/nfs/dbraw/zinc/40/56/49/555405649.db2.gz	AQTWQAQYHHPEPF-UHFFFAOYSA-N	-1	0	457.943	3.948	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1	ZINC000009685291	555414170	/nfs/dbraw/zinc/41/41/70/555414170.db2.gz	DPPSLHPYSJUJBQ-UHFFFAOYSA-N	-1	0	461.584	3.636	50	0		JHAARM
COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009613503	555449565	/nfs/dbraw/zinc/44/95/65/555449565.db2.gz	GEJUAEDATLKOBW-OAQYLSRUSA-N	-1	0	485.537	3.841	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3ccccc3F)ccc2OC)cc1	ZINC000009716650	555450326	/nfs/dbraw/zinc/45/03/26/555450326.db2.gz	RDWCZGBXEYLKBW-UHFFFAOYSA-N	-1	0	460.483	3.661	50	0		JHAARM
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000009631551	555460527	/nfs/dbraw/zinc/46/05/27/555460527.db2.gz	VHXWIHGGRNMJGI-UHFFFAOYSA-N	-1	0	464.540	3.850	50	0		JHAARM
Cc1cc([O-])c(C2=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H](c3ccc(O)cc3)C2)c(=O)o1	ZINC000013606938	555530926	/nfs/dbraw/zinc/53/09/26/555530926.db2.gz	KFRAGXNKSCBGHG-HXUWFJFHSA-N	-1	0	456.458	3.922	50	0		JHAARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2nccnc2c1	ZINC000013693303	555588341	/nfs/dbraw/zinc/58/83/41/555588341.db2.gz	GEZDWRPWPVCDAX-IBGZPJMESA-N	-1	0	453.296	3.935	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2Cc3ccccc3S2)c1	ZINC000010127135	555633445	/nfs/dbraw/zinc/63/34/45/555633445.db2.gz	PUVSFWLOLUWVGF-OAQYLSRUSA-N	-1	0	456.545	3.857	50	0		JHAARM
O=C([O-])c1ccc(COc2ccc(C=C3SC(=O)NC3=O)cc2I)cc1	ZINC000013880980	555639325	/nfs/dbraw/zinc/63/93/25/555639325.db2.gz	GTHGZUHKLOOZHS-NVNXTCNLSA-N	-1	0	481.267	3.892	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[n-]2)cc1	ZINC000010272554	555666711	/nfs/dbraw/zinc/66/67/11/555666711.db2.gz	HFBOWSPSXVSCPO-UHFFFAOYSA-N	-1	0	471.604	3.939	50	0		JHAARM
CC[C@H](Sc1ncc(S(=O)(=O)c2ccc(C)cc2)c(=O)[n-]1)C(=O)Nc1ccc(C)cc1	ZINC000010433701	555707995	/nfs/dbraw/zinc/70/79/95/555707995.db2.gz	DIPPCBCJNZDRJE-SFHVURJKSA-N	-1	0	457.577	3.729	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)CCCCn2c(=O)c3[nH]c4ccc(OC)cc4c3[n-]c2=S)CC1	ZINC000020331647	555776888	/nfs/dbraw/zinc/77/68/88/555776888.db2.gz	VDSLASMPUCJWND-UHFFFAOYSA-N	-1	0	486.594	3.521	50	0		JHAARM
COc1ccccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(=O)[n-]1	ZINC000020355903	555784859	/nfs/dbraw/zinc/78/48/59/555784859.db2.gz	XPDLHRZPGQPBTA-UHFFFAOYSA-N	-1	0	487.603	3.640	50	0		JHAARM
Cc1cc(NC(=O)COc2ccc(C)cc2)n(-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[n-]2)n1	ZINC000011695398	555802234	/nfs/dbraw/zinc/80/22/34/555802234.db2.gz	VDIMQYZRJGWVEL-UHFFFAOYSA-N	-1	0	469.505	3.650	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)s1	ZINC000020560505	555811349	/nfs/dbraw/zinc/81/13/49/555811349.db2.gz	FWGKDIOICBYARA-UHFFFAOYSA-N	-1	0	467.450	3.759	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1)CN(C(=O)c1ccc(F)cc1)CC2	ZINC000012149546	555921509	/nfs/dbraw/zinc/92/15/09/555921509.db2.gz	XLCFLJHVWUNWDX-UHFFFAOYSA-N	-1	0	474.535	3.673	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)s1	ZINC000015720841	555954850	/nfs/dbraw/zinc/95/48/50/555954850.db2.gz	DCMZUNHHILTNSP-UHFFFAOYSA-N	-1	0	453.545	3.619	50	0		JHAARM
COC(=O)C1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1	ZINC000022852111	555959160	/nfs/dbraw/zinc/95/91/60/555959160.db2.gz	IVVIZTLIFSWTDM-KRWDZBQOSA-N	-1	0	456.499	3.870	50	0		JHAARM
CCc1nc2sc([C@@H](c3cccc(Br)c3)N3CCC(C(=O)OC)CC3)c([O-])n2n1	ZINC000022853606	555960592	/nfs/dbraw/zinc/96/05/92/555960592.db2.gz	ONWAURDEYXAAGP-MRXNPFEDSA-N	-1	0	479.400	3.796	50	0		JHAARM
C[C@H]1C[C@@H]1C(=O)NCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000023188367	556029859	/nfs/dbraw/zinc/02/98/59/556029859.db2.gz	URMYENAACBXCMH-FZMZJTMJSA-N	-1	0	456.351	3.505	50	0		JHAARM
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)c1	ZINC000023194558	556030538	/nfs/dbraw/zinc/03/05/38/556030538.db2.gz	KYYCIBAFLVNSIT-UHFFFAOYSA-N	-1	0	493.632	3.832	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)ccc2Cl)cc1	ZINC000012584972	556082689	/nfs/dbraw/zinc/08/26/89/556082689.db2.gz	FFZGFLYLRFKHSK-GJZGRUSLSA-N	-1	0	452.960	3.789	50	0		JHAARM
COc1ccc(NC(=O)c2cnc3ccccc3n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000024400540	556130912	/nfs/dbraw/zinc/13/09/12/556130912.db2.gz	SGXSFXCEOJOORJ-UHFFFAOYSA-N	-1	0	452.467	3.831	50	0		JHAARM
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)c1OC	ZINC000017135727	556222961	/nfs/dbraw/zinc/22/29/61/556222961.db2.gz	MNWNTPPBVVORGO-UHFFFAOYSA-N	-1	0	499.531	3.902	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)ccc1C	ZINC000017357963	556259695	/nfs/dbraw/zinc/25/96/95/556259695.db2.gz	SHGKLDGTBMJLFS-UHFFFAOYSA-N	-1	0	479.602	3.762	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)c1	ZINC000028049146	556313962	/nfs/dbraw/zinc/31/39/62/556313962.db2.gz	PZICUMGCZDJAKW-UHFFFAOYSA-N	-1	0	485.587	3.846	50	0		JHAARM
O=C([O-])c1cccc(NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccc(Br)o2)c1	ZINC000013130272	556355128	/nfs/dbraw/zinc/35/51/28/556355128.db2.gz	KCEWLHBSIZVCNI-OVCLIPMQSA-N	-1	0	499.273	3.879	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cccc(Cl)c2)c1	ZINC000031993271	556412497	/nfs/dbraw/zinc/41/24/97/556412497.db2.gz	AFHXZUUBETYGKG-HXUWFJFHSA-N	-1	0	460.939	3.613	50	0		JHAARM
O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCN(C(=O)c2ccco2)CC1	ZINC000032094095	556415443	/nfs/dbraw/zinc/41/54/43/556415443.db2.gz	BUFXVZDNHVWOCA-XMMPIXPASA-N	-1	0	459.502	3.924	50	0		JHAARM
Cc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1	ZINC000032946639	556561573	/nfs/dbraw/zinc/56/15/73/556561573.db2.gz	YPTUSKRRVIKUBF-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3cccc(F)c3)CC2)cc1	ZINC000032961745	556578994	/nfs/dbraw/zinc/57/89/94/556578994.db2.gz	FGRZBKMRNVZLOU-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccc3OC)CC2)cc1	ZINC000032961919	556579818	/nfs/dbraw/zinc/57/98/18/556579818.db2.gz	JHEBAVCNLMVXEQ-UHFFFAOYSA-N	-1	0	497.573	3.529	50	0		JHAARM
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)[O-])CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C	ZINC000253387502	560039630	/nfs/dbraw/zinc/03/96/30/560039630.db2.gz	NGGMYCMLYOUNGM-NWDUNNCCSA-N	-1	0	458.551	3.915	50	0	biogenic,in-vitro	JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1	ZINC000038198782	563133096	/nfs/dbraw/zinc/13/30/96/563133096.db2.gz	NMYZWOBMMAIJOS-UHFFFAOYSA-N	-1	0	480.981	3.806	50	0	aggregator	JHAARM
C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCN2CCCC2=O)c3=O)[C@@H]1C	ZINC000008661774	569592668	/nfs/dbraw/zinc/59/26/68/569592668.db2.gz	PKDZSDJUKZRTQJ-GPMSIDNRSA-N	-1	0	456.612	3.626	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3c(C)cccc3C)cc2)n1	ZINC000008723366	569599219	/nfs/dbraw/zinc/59/92/19/569599219.db2.gz	RVOXDJOYPJLTHM-GOSISDBHSA-N	-1	0	454.552	3.917	50	0		JHAARM
COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(F)cc(F)c4)c32)cc(OC)c1OC	ZINC000061720334	569609077	/nfs/dbraw/zinc/60/90/77/569609077.db2.gz	WZCXACIGTDHSNY-OAHLLOKOSA-N	-1	0	458.417	3.954	50	0		JHAARM
CCc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C(N)=O)cc2)cc1	ZINC000064557878	569618261	/nfs/dbraw/zinc/61/82/61/569618261.db2.gz	JROZBVGQSJMHSQ-OAQYLSRUSA-N	-1	0	462.527	3.679	50	0		JHAARM
NC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000064557872	569618345	/nfs/dbraw/zinc/61/83/45/569618345.db2.gz	VXLHCDWJGPMWBI-IBGZPJMESA-N	-1	0	468.918	3.770	50	0		JHAARM
O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)ccc1NC(=O)c1ccc(Br)cc1	ZINC000064589040	569620801	/nfs/dbraw/zinc/62/08/01/569620801.db2.gz	BSTMVWOMZOCEJQ-UHFFFAOYSA-N	-1	0	496.365	3.906	50	0		JHAARM
Cn1c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)c(Oc3ccccc3)cc2n(C)c(=O)c1=O	ZINC000033265740	569621823	/nfs/dbraw/zinc/62/18/23/569621823.db2.gz	OKWBMEARJSCELW-UHFFFAOYSA-N	-1	0	491.569	3.709	50	0		JHAARM
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O	ZINC000064774545	569626747	/nfs/dbraw/zinc/62/67/47/569626747.db2.gz	PONYTVQQPZGRRI-OAHLLOKOSA-N	-1	0	463.563	3.889	50	0		JHAARM
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O	ZINC000064774636	569626895	/nfs/dbraw/zinc/62/68/95/569626895.db2.gz	PKHNHZUJEIWDBC-OAHLLOKOSA-N	-1	0	463.563	3.909	50	0		JHAARM
COc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(C)=O)c(=O)[n-]2)cc1Cl	ZINC000064774886	569627176	/nfs/dbraw/zinc/62/71/76/569627176.db2.gz	WZSGUBYQZYOZAF-UHFFFAOYSA-N	-1	0	459.915	3.595	50	0		JHAARM
CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OCC(N)=O	ZINC000064796448	569630157	/nfs/dbraw/zinc/63/01/57/569630157.db2.gz	NZSULYDJKHVJLR-OAHLLOKOSA-N	-1	0	484.505	3.989	50	0		JHAARM
Cc1noc(C)c1CCN(C)c1ncc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1C(=O)[O-]	ZINC000064843519	569637910	/nfs/dbraw/zinc/63/79/10/569637910.db2.gz	DNZRNEZKPVJOIR-UHFFFAOYSA-N	-1	0	472.567	3.790	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@@H](C[NH+]3CCCC3)C2)c(C)c1	ZINC000064844163	569638337	/nfs/dbraw/zinc/63/83/37/569638337.db2.gz	IHLUQDFYQFDHRG-IBGZPJMESA-N	-1	0	472.611	3.510	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCCCc3ccccc3)c(=O)[n-]2)ccc1OC(C)C	ZINC000034765971	569658366	/nfs/dbraw/zinc/65/83/66/569658366.db2.gz	SWIILHQXLQAQFZ-UHFFFAOYSA-N	-1	0	450.539	3.722	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)sc2C)c1	ZINC000065116660	569666593	/nfs/dbraw/zinc/66/65/93/569666593.db2.gz	DWPFJICDOVPYBE-UHFFFAOYSA-N	-1	0	462.553	3.542	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000065116698	569666679	/nfs/dbraw/zinc/66/66/79/569666679.db2.gz	XKNPLSJGWLYSAO-UHFFFAOYSA-N	-1	0	450.517	3.673	50	0		JHAARM
Cc1cc(C)cc(-n2ccnc2SCC(=O)[N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000065567059	569676144	/nfs/dbraw/zinc/67/61/44/569676144.db2.gz	YLEBYMTWLZOEQA-UHFFFAOYSA-N	-1	0	452.561	3.635	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])C1	ZINC000035397315	569688142	/nfs/dbraw/zinc/68/81/42/569688142.db2.gz	IOLMSBNTLRXPLS-MRXNPFEDSA-N	-1	0	489.594	3.658	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)cnc1N1CCC(CC[NH+]2CCCCC2)CC1	ZINC000035397815	569688437	/nfs/dbraw/zinc/68/84/37/569688437.db2.gz	WLCCMWRFPZXPES-UHFFFAOYSA-N	-1	0	478.640	3.735	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC([NH+]3CCCCC3)CC2)cc1C	ZINC000035397913	569688547	/nfs/dbraw/zinc/68/85/47/569688547.db2.gz	YZEVFAWZVPHEMY-UHFFFAOYSA-N	-1	0	486.638	3.961	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1	ZINC000035399021	569689356	/nfs/dbraw/zinc/68/93/56/569689356.db2.gz	SAXQJHULRMJZJB-UHFFFAOYSA-N	-1	0	499.633	3.732	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)c(OC)c1	ZINC000035528100	569699532	/nfs/dbraw/zinc/69/95/32/569699532.db2.gz	LLVMYAPSYHJQQU-UHFFFAOYSA-N	-1	0	490.607	3.511	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1F)C(C)C	ZINC000072191539	569699942	/nfs/dbraw/zinc/69/99/42/569699942.db2.gz	WCERUGGTYBCKPT-FQEVSTJZSA-N	-1	0	499.568	3.993	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2c(C)c(-c3ccc(Cl)cc3)nn21	ZINC000035684919	569706746	/nfs/dbraw/zinc/70/67/46/569706746.db2.gz	SPRRLQPPPMODKV-MRXNPFEDSA-N	-1	0	454.870	3.741	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccccc2C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1	ZINC000035684060	569706808	/nfs/dbraw/zinc/70/68/08/569706808.db2.gz	XMRDPPWDBIJMNG-OAQYLSRUSA-N	-1	0	481.530	3.931	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)c2cc3ccccc3o2)c1	ZINC000089481793	569718655	/nfs/dbraw/zinc/71/86/55/569718655.db2.gz	JBNXYPMFVWLGDH-UHFFFAOYSA-N	-1	0	481.482	3.988	50	0		JHAARM
CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(Br)c2)C[C@H]1C(=O)[O-]	ZINC000095080819	569721649	/nfs/dbraw/zinc/72/16/49/569721649.db2.gz	AUVACLVOJXROOH-ZDUSSCGKSA-N	-1	0	453.255	3.978	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)NC(C)(C)C	ZINC000095841232	569728811	/nfs/dbraw/zinc/72/88/11/569728811.db2.gz	SHZFKIONCMLSSD-UHFFFAOYSA-N	-1	0	492.598	3.862	50	0		JHAARM
CCOC(=O)c1cccc(NC(=O)c2c(C)[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000095851203	569729209	/nfs/dbraw/zinc/72/92/09/569729209.db2.gz	LIOXAMDZUHSJGH-UHFFFAOYSA-N	-1	0	462.915	3.601	50	0		JHAARM
CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000096113663	569732964	/nfs/dbraw/zinc/73/29/64/569732964.db2.gz	QPKJMQPFRFOBGM-FPOVZHCZSA-N	-1	0	498.576	3.918	50	0	biogenic	JHAARM
CN1CCN(C(=O)C[C@@H](c2ccncc2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096115299	569734254	/nfs/dbraw/zinc/73/42/54/569734254.db2.gz	OMPGSDXZZQULSS-FQEVSTJZSA-N	-1	0	485.540	3.562	50	0	biogenic	JHAARM
CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000096601931	569742396	/nfs/dbraw/zinc/74/23/96/569742396.db2.gz	IVFRUKAIKIDYLR-MZTIGDPZSA-N	-1	0	465.594	3.637	50	0		JHAARM
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c(C(=O)[O-])c1OC	ZINC000097729949	569745905	/nfs/dbraw/zinc/74/59/05/569745905.db2.gz	ADRBBURFZACXFQ-LGJNPRDNSA-N	-1	0	465.437	3.557	50	0		JHAARM
CCC[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000098063930	569750131	/nfs/dbraw/zinc/75/01/31/569750131.db2.gz	OWEQGUMTLGFTIY-UYAOXDASSA-N	-1	0	484.549	3.528	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(Cc3ccccn3)CC1)cn2Cc1ccccc1	ZINC000036354518	569771635	/nfs/dbraw/zinc/77/16/35/569771635.db2.gz	MLZNLEOBEQQPPU-AREMUKBSSA-N	-1	0	484.556	3.726	50	0		JHAARM
O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc21	ZINC000036358867	569772273	/nfs/dbraw/zinc/77/22/73/569772273.db2.gz	OSZAYZIPNYTVJH-OGPASDKVSA-N	-1	0	465.525	3.712	50	0		JHAARM
CCOc1ccc(N2C(=O)[C@@H]3C(C(=O)c4ccccc4)=NN(c4ccccc4OC)C3=C2[O-])cc1	ZINC000100909666	569775114	/nfs/dbraw/zinc/77/51/14/569775114.db2.gz	IQJNBQQCXJXSGV-ISKFKSNPSA-N	-1	0	469.497	3.711	50	0		JHAARM
Cc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(Br)cc5)c(=O)c3=4)n2)cc1C	ZINC000101076269	569781702	/nfs/dbraw/zinc/78/17/02/569781702.db2.gz	BYNUUSRVVUVWSW-QZTJIDSGSA-N	-1	0	481.310	3.609	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1C	ZINC000101109367	569783131	/nfs/dbraw/zinc/78/31/31/569783131.db2.gz	SHIYPPXFFZPOMU-MSOLQXFVSA-N	-1	0	481.310	3.609	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000101174405	569785990	/nfs/dbraw/zinc/78/59/90/569785990.db2.gz	GKPHNLBMVNMGAK-RPWUZVMVSA-N	-1	0	469.501	3.973	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1OC	ZINC000101261194	569788240	/nfs/dbraw/zinc/78/82/40/569788240.db2.gz	DBSAAIVQVSYOJV-VXKWHMMOSA-N	-1	0	490.520	3.761	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1	ZINC000101261159	569788244	/nfs/dbraw/zinc/78/82/44/569788244.db2.gz	HJPKJXBHDCJOLN-ZWKOTPCHSA-N	-1	0	481.310	3.555	50	0		JHAARM
CC(=O)Nc1ccc(N2C(=O)C[C@H](c3c(C)[n-]n(-c4nc5ccccc5s4)c3=O)C2=O)cc1	ZINC000101503348	569800930	/nfs/dbraw/zinc/80/09/30/569800930.db2.gz	KKIJYKVLKYSJDO-MRXNPFEDSA-N	-1	0	461.503	3.502	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000101628516	569802014	/nfs/dbraw/zinc/80/20/14/569802014.db2.gz	DVMJPGJBKMLBGC-OALUTQOASA-N	-1	0	456.564	3.788	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000101628514	569802069	/nfs/dbraw/zinc/80/20/69/569802069.db2.gz	DVMJPGJBKMLBGC-KDURUIRLSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1OC	ZINC000101893401	569807596	/nfs/dbraw/zinc/80/75/96/569807596.db2.gz	OSKCRQXTSWXGFY-UXHICEINSA-N	-1	0	496.911	3.599	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C	ZINC000102289374	569811909	/nfs/dbraw/zinc/81/19/09/569811909.db2.gz	BQJBBUMKFKWBFI-RTBURBONSA-N	-1	0	456.564	3.870	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)c1	ZINC000102479090	569813470	/nfs/dbraw/zinc/81/34/70/569813470.db2.gz	GSSZRAKBQSDWEZ-OALUTQOASA-N	-1	0	451.870	3.805	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cc(OC(F)F)c(OC)cc2C(=O)[O-])cc1Br	ZINC000040115196	569816286	/nfs/dbraw/zinc/81/62/86/569816286.db2.gz	BHZUXOOVQVUBSQ-UHFFFAOYSA-N	-1	0	482.255	3.567	50	0		JHAARM
COc1ccc([C@@H]2c3c(O)n(-c4cccc(C)c4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000136328446	569864604	/nfs/dbraw/zinc/86/46/04/569864604.db2.gz	XIPJFVLQFHAEMC-WMTXJRDZSA-N	-1	0	488.496	3.762	50	0		JHAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000238950806	570048372	/nfs/dbraw/zinc/04/83/72/570048372.db2.gz	ZQDILCLXKJGWQQ-MGYFQLOVSA-N	-1	0	532.643	3.847	50	0		JHAARM
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000253487879	570100007	/nfs/dbraw/zinc/10/00/07/570100007.db2.gz	SKMDVYIUSMYINZ-CMKODMSKSA-N	-1	0	460.575	3.859	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(I)cc1	ZINC000001051602	194010447	/nfs/dbraw/zinc/01/04/47/194010447.db2.gz	HBEIAUPMPCHSDQ-UHFFFAOYSA-N	-1	0	485.328	3.801	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(OC)n1	ZINC000001088079	194021547	/nfs/dbraw/zinc/02/15/47/194021547.db2.gz	VSTJNRGCYRTWPM-UHFFFAOYSA-N	-1	0	463.903	3.592	50	0		JHAARM
CCc1ccccc1NC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-]	ZINC000001782184	194139221	/nfs/dbraw/zinc/13/92/21/194139221.db2.gz	FEGRICRXWLLHQI-FCHUYYIVSA-N	-1	0	461.470	3.723	50	0		JHAARM
COc1ccccc1C(=O)N[C@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000003053183	194219996	/nfs/dbraw/zinc/21/99/96/194219996.db2.gz	XOTRUQMYLNQYNT-MRXNPFEDSA-N	-1	0	476.769	3.806	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)cc3Cl)cc2)no1	ZINC000003257432	194253803	/nfs/dbraw/zinc/25/38/03/194253803.db2.gz	SSDJSVUCSKOFJE-UHFFFAOYSA-N	-1	0	468.919	3.703	50	0		JHAARM
COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000003581588	194338655	/nfs/dbraw/zinc/33/86/55/194338655.db2.gz	UXLRWKUDQGEOMZ-UHFFFAOYSA-N	-1	0	452.598	3.578	50	0		JHAARM
O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000003947382	194367036	/nfs/dbraw/zinc/36/70/36/194367036.db2.gz	CLBXRMXEBQWJJU-UHFFFAOYSA-N	-1	0	460.515	3.962	50	0		JHAARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000009261012	194643416	/nfs/dbraw/zinc/64/34/16/194643416.db2.gz	ICCGMJGCOUJYKO-PVGUKEHMSA-N	-1	0	485.514	3.960	50	0		JHAARM
COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000012655417	195077942	/nfs/dbraw/zinc/07/79/42/195077942.db2.gz	IAPUROYUORQQMR-JAIQZWGSSA-N	-1	0	460.442	3.532	50	0		JHAARM
CCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1	ZINC000012762482	195111651	/nfs/dbraw/zinc/11/16/51/195111651.db2.gz	VRFNPHPRDGDMBP-UHFFFAOYSA-N	-1	0	471.910	3.629	50	0		JHAARM
CC(C)C[C@@H](NC(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)[O-]	ZINC000012764507	195112749	/nfs/dbraw/zinc/11/27/49/195112749.db2.gz	HCZVLPPFOIKRJI-OAHLLOKOSA-N	-1	0	452.964	3.553	50	0		JHAARM
Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)c(C)n1C	ZINC000020989847	195261916	/nfs/dbraw/zinc/26/19/16/195261916.db2.gz	DESFFFCHBDFAPC-UHFFFAOYSA-N	-1	0	479.908	3.587	50	0		JHAARM
CCN(C(C)=O)c1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)[n-]c1=O	ZINC000021157484	195285265	/nfs/dbraw/zinc/28/52/65/195285265.db2.gz	VXWLBIQVEXVJON-UHFFFAOYSA-N	-1	0	457.943	3.589	50	0		JHAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)Nc1ccccc1	ZINC000021225583	195291764	/nfs/dbraw/zinc/29/17/64/195291764.db2.gz	IXCMAVFLZFOVHY-AWEZNQCLSA-N	-1	0	460.458	3.950	50	0		JHAARM
CC(C)Cn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccco1	ZINC000013403041	519487981	/nfs/dbraw/zinc/48/79/81/519487981.db2.gz	FTRNCNVVIAGBEO-SFHVURJKSA-N	-1	0	467.551	3.580	50	0		JHAARM
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccc(C(=O)[O-])cc21	ZINC000004536051	519759695	/nfs/dbraw/zinc/75/96/95/519759695.db2.gz	QMOGCCYGOPYYNT-UHFFFAOYSA-N	-1	0	460.394	3.803	50	0	in-vitro	JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Br)cc2)CC1	ZINC000016690219	520957717	/nfs/dbraw/zinc/95/77/17/520957717.db2.gz	SALQXMOCDMCBMO-MRXNPFEDSA-N	-1	0	494.415	3.685	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(Br)cc2)CC1	ZINC000016690218	520961148	/nfs/dbraw/zinc/96/11/48/520961148.db2.gz	SALQXMOCDMCBMO-INIZCTEOSA-N	-1	0	494.415	3.685	50	0		JHAARM
CCOC(=O)N1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000016690216	520961904	/nfs/dbraw/zinc/96/19/04/520961904.db2.gz	VXTMLUATTYCJFS-INIZCTEOSA-N	-1	0	494.415	3.685	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(CC)cc2)C1	ZINC000033253872	521120785	/nfs/dbraw/zinc/12/07/85/521120785.db2.gz	UNVLMZKAEAFZIG-GOSISDBHSA-N	-1	0	460.552	3.528	50	0		JHAARM
CCOc1ccc2nc([N-][C@@](NC(=O)c3ccccc3)(C(=O)OC)C(F)(F)F)sc2c1	ZINC000002050329	521305432	/nfs/dbraw/zinc/30/54/32/521305432.db2.gz	ADHSSCUQKRZRIH-IBGZPJMESA-N	-1	0	453.442	3.969	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc3c(c1)CCC3)CN(C(=O)C1CCC1)CC2	ZINC000014985639	521792317	/nfs/dbraw/zinc/79/23/17/521792317.db2.gz	LCDHJSKTGLOZIF-UHFFFAOYSA-N	-1	0	474.604	3.509	50	0		JHAARM
CC[C@@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)c2C(=O)OC)C1	ZINC000012450064	521913813	/nfs/dbraw/zinc/91/38/13/521913813.db2.gz	FVUDGAXRAANKQK-CQSZACIVSA-N	-1	0	476.620	3.755	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(CC)c3)c1)NC(=O)CCC2=O	ZINC000033276752	522706134	/nfs/dbraw/zinc/70/61/34/522706134.db2.gz	UULUSHWGDXYKLQ-UHFFFAOYSA-N	-1	0	482.562	3.857	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3c(C)cccc3C)c1)NC(=O)CCC2=O	ZINC000033276717	522706315	/nfs/dbraw/zinc/70/63/15/522706315.db2.gz	PEIWLATWJSDHOQ-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
CCc1nn2c(c1-c1ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3OC)c1)NC(=O)CCC2=O	ZINC000033276625	522707187	/nfs/dbraw/zinc/70/71/87/522707187.db2.gz	LLAJABFJLLWGHS-UHFFFAOYSA-N	-1	0	498.561	3.611	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2cc(/C=C\c3onc(C)c3NC(C)=O)ccc2OC)cc(OC)c1	ZINC000033170630	522752885	/nfs/dbraw/zinc/75/28/85/522752885.db2.gz	KMLHBAWNDAAUII-CLFYSBASSA-N	-1	0	487.534	3.938	50	0		JHAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1	ZINC000016153565	523507027	/nfs/dbraw/zinc/50/70/27/523507027.db2.gz	YUESJFZDALZVPX-UHFFFAOYSA-N	-1	0	465.325	3.782	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1	ZINC000033307575	523843265	/nfs/dbraw/zinc/84/32/65/523843265.db2.gz	OQPLQWHPPDNEPO-UHFFFAOYSA-N	-1	0	474.608	3.660	50	0		JHAARM
COc1ccc(CC(=O)Nc2ccc(OC)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1	ZINC000089442127	523910294	/nfs/dbraw/zinc/91/02/94/523910294.db2.gz	NQBXWLQWTVUKJZ-UHFFFAOYSA-N	-1	0	456.520	3.694	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2OC)cc1OC	ZINC000012371314	523971198	/nfs/dbraw/zinc/97/11/98/523971198.db2.gz	PKKFGXXGQKIFCL-UHFFFAOYSA-N	-1	0	488.537	3.625	50	0		JHAARM
CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cc(C)ccc3C)c(=O)[n-]2)cc1	ZINC000008604667	523974451	/nfs/dbraw/zinc/97/44/51/523974451.db2.gz	NDXBMXJTIKDSTG-UHFFFAOYSA-N	-1	0	457.577	3.513	50	0		JHAARM
COc1ccc(CN2CCN(c3ccc(NC(=O)Cc4cccs4)c(C(=O)[O-])c3)CC2)cc1OC	ZINC000045967770	524034200	/nfs/dbraw/zinc/03/42/00/524034200.db2.gz	KXIBEDPRXFHOSF-UHFFFAOYSA-N	-1	0	495.601	3.967	50	0		JHAARM
Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C(=O)[O-])c2)c1	ZINC000033078639	524217669	/nfs/dbraw/zinc/21/76/69/524217669.db2.gz	NIEZCSAVSVJPQQ-UHFFFAOYSA-N	-1	0	473.529	3.996	50	0		JHAARM
COc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)cc1Cl	ZINC000013571803	524393137	/nfs/dbraw/zinc/39/31/37/524393137.db2.gz	HZVKXNXAKWSDDD-QGZVFWFLSA-N	-1	0	462.911	3.576	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccccc4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883365	524562529	/nfs/dbraw/zinc/56/25/29/524562529.db2.gz	ATVYIQYYOUJWBD-SFHVURJKSA-N	-1	0	466.563	3.604	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4ccc(F)cc4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883362	524563191	/nfs/dbraw/zinc/56/31/91/524563191.db2.gz	BUZBQNDUSXSPDE-KRWDZBQOSA-N	-1	0	484.553	3.743	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1	ZINC000014212143	524647604	/nfs/dbraw/zinc/64/76/04/524647604.db2.gz	SFBOUTZUJVPYFN-SFHVURJKSA-N	-1	0	469.494	3.700	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)cc1OC	ZINC000065010739	524682876	/nfs/dbraw/zinc/68/28/76/524682876.db2.gz	HHSXKLNSZZAQPK-UHFFFAOYSA-N	-1	0	488.562	3.648	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)cc1	ZINC000065010750	524684012	/nfs/dbraw/zinc/68/40/12/524684012.db2.gz	CQKZTNCIZAEBJX-UHFFFAOYSA-N	-1	0	458.536	3.640	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)cc1OC	ZINC000033303157	524688299	/nfs/dbraw/zinc/68/82/99/524688299.db2.gz	SGBPPADKEHCHQV-RMKNXTFCSA-N	-1	0	463.537	3.991	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)c1	ZINC000033171015	524869930	/nfs/dbraw/zinc/86/99/30/524869930.db2.gz	KGWHXRZQTUFRHR-XFFZJAGNSA-N	-1	0	457.508	3.930	50	0		JHAARM
Cc1cc(I)ccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O	ZINC000006162647	525010374	/nfs/dbraw/zinc/01/03/74/525010374.db2.gz	CMSXVEDJDZCPSR-OAHLLOKOSA-N	-1	0	467.284	3.722	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253231	525083393	/nfs/dbraw/zinc/08/33/93/525083393.db2.gz	NOWWHBYWQWNBLG-UHFFFAOYSA-N	-1	0	499.564	3.656	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCC(C)CC4)s3)n(C)c2C)no1	ZINC000021708006	525288593	/nfs/dbraw/zinc/28/85/93/525288593.db2.gz	QSKMZIDBARXFNV-UHFFFAOYSA-N	-1	0	477.612	3.735	50	0		JHAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)NCc1ccccc1C(F)(F)F	ZINC000033279666	525472364	/nfs/dbraw/zinc/47/23/64/525472364.db2.gz	SZNIEZFLGZQDJZ-UHFFFAOYSA-N	-1	0	452.458	3.776	50	0		JHAARM
Cc1cc2nnc(SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n2c2ccccc12	ZINC000013416514	525688138	/nfs/dbraw/zinc/68/81/38/525688138.db2.gz	KUYANTVJRYHGEN-IBGZPJMESA-N	-1	0	459.531	3.576	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)c1	ZINC000065010748	526210094	/nfs/dbraw/zinc/21/00/94/526210094.db2.gz	HEGBGTAIRGDNBU-UHFFFAOYSA-N	-1	0	458.536	3.640	50	0		JHAARM
O=C([O-])[C@@H]1Sc2c(sc(=O)n2-c2ccccc2)[C@@H]2c3cc(Br)ccc3C(=O)O[C@H]12	ZINC000004124469	526293973	/nfs/dbraw/zinc/29/39/73/526293973.db2.gz	OREZDCBPAATILW-IJEWVQPXSA-N	-1	0	490.356	3.891	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000033253240	526353988	/nfs/dbraw/zinc/35/39/88/526353988.db2.gz	XEVLTQFQJMFRGQ-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1N1CCN(c2ccccn2)CC1	ZINC000033253027	526354604	/nfs/dbraw/zinc/35/46/04/526354604.db2.gz	DVLVWHHHZDUSKO-UHFFFAOYSA-N	-1	0	492.601	3.786	50	0		JHAARM
O=C(NC[C@H]1CCCO1)C1(c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)CC1	ZINC000033115296	526597539	/nfs/dbraw/zinc/59/75/39/526597539.db2.gz	LIPVELMFQPVSQW-OAHLLOKOSA-N	-1	0	485.425	3.638	50	0		JHAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)cc2)c1C	ZINC000024769365	526640925	/nfs/dbraw/zinc/64/09/25/526640925.db2.gz	XIZVEHBVGLOCQQ-UHFFFAOYSA-N	-1	0	467.507	3.714	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000065116613	526865908	/nfs/dbraw/zinc/86/59/08/526865908.db2.gz	QLZKLWKUQJXJIV-UHFFFAOYSA-N	-1	0	470.935	3.936	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccccc1OC(F)(F)F	ZINC000023390183	527253130	/nfs/dbraw/zinc/25/31/30/527253130.db2.gz	ZKRLJOLLXDNUMP-UHFFFAOYSA-N	-1	0	464.487	3.561	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)ncn1	ZINC000000954839	553882889	/nfs/dbraw/zinc/88/28/89/553882889.db2.gz	OTGSXHYYMYTCAE-UHFFFAOYSA-N	-1	0	459.336	3.907	50	0		JHAARM
CCOC(=O)c1nc2ccccc2c(Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)n1	ZINC000000956536	553884258	/nfs/dbraw/zinc/88/42/58/553884258.db2.gz	MYZFSIPEQVHTNU-UHFFFAOYSA-N	-1	0	478.534	3.758	50	0		JHAARM
O=C(COc1ccc(Br)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000000958051	553884465	/nfs/dbraw/zinc/88/44/65/553884465.db2.gz	RBVMKAPUBIVTQC-UHFFFAOYSA-N	-1	0	462.325	3.662	50	0		JHAARM
COC(=O)[C@](SCC(=O)Nc1ccccc1)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F	ZINC000002270422	554126531	/nfs/dbraw/zinc/12/65/31/554126531.db2.gz	SOFYRYOXIHPIQE-OAQYLSRUSA-N	-1	0	479.480	3.777	50	0		JHAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2ccc(Cl)cc2)C3=O)cc1	ZINC000002502360	554229955	/nfs/dbraw/zinc/22/99/55/554229955.db2.gz	CLPISEQWYHLKLY-UHFFFAOYSA-N	-1	0	455.875	3.667	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)NCc2ccccc2)c(C)c1	ZINC000002655015	554270765	/nfs/dbraw/zinc/27/07/65/554270765.db2.gz	NYTKOWLPIJXHCS-UHFFFAOYSA-N	-1	0	466.559	3.886	50	0		JHAARM
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N(C)CCc3ccccn3)cc2[n-]c1=S	ZINC000003051898	554424522	/nfs/dbraw/zinc/42/45/22/554424522.db2.gz	KHDARFNTNONCOZ-UHFFFAOYSA-N	-1	0	460.559	3.826	50	0		JHAARM
CCCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000008740175	554642038	/nfs/dbraw/zinc/64/20/38/554642038.db2.gz	RNTQOGGYJIBDES-VXKWHMMOSA-N	-1	0	472.607	3.529	50	0	biogenic	JHAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1	ZINC000008824133	554711076	/nfs/dbraw/zinc/71/10/76/554711076.db2.gz	MWWPGVYLDRAPNR-UHFFFAOYSA-N	-1	0	461.499	3.723	50	0		JHAARM
Cc1cc2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)cc(=O)c2cc1C	ZINC000008845857	554743995	/nfs/dbraw/zinc/74/39/95/554743995.db2.gz	ABXWKYLHDICZDW-UHFFFAOYSA-N	-1	0	455.517	3.919	50	0		JHAARM
CC1(C)CCc2c(cc(OCC(=O)NCCC(=O)[O-])c3c(-c4ccccc4)cc(=O)oc23)O1	ZINC000008877103	554772275	/nfs/dbraw/zinc/77/22/75/554772275.db2.gz	LETBSKWHDVYZBJ-UHFFFAOYSA-N	-1	0	451.475	3.533	50	0	biogenic	JHAARM
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1	ZINC000008878298	554773812	/nfs/dbraw/zinc/77/38/12/554773812.db2.gz	IUFXPBVRSZEFGW-REWPJTCUSA-N	-1	0	456.539	3.869	50	0	biogenic	JHAARM
CCSc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccc(C)cc3)ncc2Cl)s1	ZINC000008916944	554811688	/nfs/dbraw/zinc/81/16/88/554811688.db2.gz	QVMZSCUANLRGAE-UHFFFAOYSA-N	-1	0	470.001	3.628	50	0		JHAARM
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2	ZINC000009120389	554913264	/nfs/dbraw/zinc/91/32/64/554913264.db2.gz	OUUUZPQIOUGIIG-UHFFFAOYSA-N	-1	0	485.489	3.746	50	0		JHAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)s1	ZINC000009153264	554942693	/nfs/dbraw/zinc/94/26/93/554942693.db2.gz	GYETVJUCDUOAQV-UHFFFAOYSA-N	-1	0	478.349	3.503	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1C(=O)N1CCCCCC1	ZINC000009191376	554963700	/nfs/dbraw/zinc/96/37/00/554963700.db2.gz	KNSWJVLIPMRGGO-UHFFFAOYSA-N	-1	0	485.606	3.748	50	0		JHAARM
CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(CN2C(=O)c3cccnc3C2=O)ccc1OC	ZINC000009226264	554999132	/nfs/dbraw/zinc/99/91/32/554999132.db2.gz	UFFDGCXLGRYHAI-UHFFFAOYSA-N	-1	0	465.531	3.558	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)c(OC)c2)ccc1C	ZINC000009285228	555059243	/nfs/dbraw/zinc/05/92/43/555059243.db2.gz	GXELEBXEOXKBNS-UHFFFAOYSA-N	-1	0	470.547	3.752	50	0		JHAARM
O=C([O-])CCC(=O)N1CCN(c2nc3ccc(Br)cc3c(-c3ccccc3)n2)CC1	ZINC000009299686	555073740	/nfs/dbraw/zinc/07/37/40/555073740.db2.gz	WGOZGLWOMICCLV-UHFFFAOYSA-N	-1	0	469.339	3.573	50	0		JHAARM
O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)C1=O	ZINC000009323272	555096519	/nfs/dbraw/zinc/09/65/19/555096519.db2.gz	IAOCGYSORZTTEX-CXUHLZMHSA-N	-1	0	495.294	3.991	50	0		JHAARM
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)CC2=O)cc1C	ZINC000009356479	555121669	/nfs/dbraw/zinc/12/16/69/555121669.db2.gz	KRZNGUHLKHPDTQ-MRXNPFEDSA-N	-1	0	470.576	3.552	50	0		JHAARM
O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000009367418	555129419	/nfs/dbraw/zinc/12/94/19/555129419.db2.gz	FSCZPGKMTPVLNT-UHFFFAOYSA-N	-1	0	473.511	3.704	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N3CCC(OC)CC3)ccc2C)cc1Cl	ZINC000009376762	555137807	/nfs/dbraw/zinc/13/78/07/555137807.db2.gz	DDLYWDFQOQBWTC-UHFFFAOYSA-N	-1	0	482.986	3.717	50	0		JHAARM
CCCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)n1	ZINC000009409315	555174084	/nfs/dbraw/zinc/17/40/84/555174084.db2.gz	JCZXXPJWHPAJGH-UHFFFAOYSA-N	-1	0	478.987	3.784	50	0		JHAARM
O=C(c1cccs1)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2)CC1	ZINC000009468763	555249174	/nfs/dbraw/zinc/24/91/74/555249174.db2.gz	NRRVERVHXVRXQK-UHFFFAOYSA-N	-1	0	496.035	3.862	50	0		JHAARM
CCOc1ccc(NC(=O)CSc2nc3n[nH]cc3c(=O)n2-c2cccc(Cl)c2)cc1	ZINC000009490639	555266269	/nfs/dbraw/zinc/26/62/69/555266269.db2.gz	RWSCXEFCXVBWFG-UHFFFAOYSA-N	-1	0	455.927	3.892	50	0		JHAARM
CCOC(=O)c1c(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)sc(C)c1-c1ccccc1	ZINC000009503288	555288144	/nfs/dbraw/zinc/28/81/44/555288144.db2.gz	GASKRDFKERVNLV-UHFFFAOYSA-N	-1	0	491.525	3.947	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1S(=O)(=O)N1CCCCC1	ZINC000009539679	555331421	/nfs/dbraw/zinc/33/14/21/555331421.db2.gz	BODFKEUMSIKNSP-UHFFFAOYSA-N	-1	0	478.514	3.689	50	0		JHAARM
COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000009554001	555350604	/nfs/dbraw/zinc/35/06/04/555350604.db2.gz	JGKMIRRNVPSCEL-XKZIYDEJSA-N	-1	0	458.495	3.743	50	0		JHAARM
Cc1nc2c3c(nn2c(C)c1CCC(=O)[O-])nc(N1CCOCC1)nc3-c1ccc(C(C)C)cc1	ZINC000009560311	555356575	/nfs/dbraw/zinc/35/65/75/555356575.db2.gz	IZKQGSPVQFZHJN-UHFFFAOYSA-N	-1	0	474.565	3.934	50	0		JHAARM
CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc(-c3ccc(S(=O)(=O)CC)nn3)cc2)c1	ZINC000009650660	555362198	/nfs/dbraw/zinc/36/21/98/555362198.db2.gz	CUWDDTDGFFWDKW-UHFFFAOYSA-N	-1	0	491.591	3.535	50	0		JHAARM
Cc1ccc(-c2noc(CCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2)cc1	ZINC000009592330	555406716	/nfs/dbraw/zinc/40/67/16/555406716.db2.gz	AZEHPHPDARACBS-UHFFFAOYSA-N	-1	0	469.548	3.874	50	0		JHAARM
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C(=O)[O-])c1OC	ZINC000013513301	555484346	/nfs/dbraw/zinc/48/43/46/555484346.db2.gz	VBUCAXWMOKTTLE-XPNTWCBSSA-N	-1	0	492.459	3.592	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1cccc(OC)c1OC)NC(=O)c1ccccc1	ZINC000013575832	555514565	/nfs/dbraw/zinc/51/45/65/555514565.db2.gz	PFFZYKRKOUNDES-ZHZULCJRSA-N	-1	0	476.485	3.820	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(OC)c(OC)c1)NC(=O)c1ccccc1	ZINC000013575872	555514897	/nfs/dbraw/zinc/51/48/97/555514897.db2.gz	PSBPJQOTOMNVDR-MOSHPQCFSA-N	-1	0	476.485	3.820	50	0		JHAARM
O=C(NC[C@H](O)c1ccccc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1	ZINC000013690022	555583830	/nfs/dbraw/zinc/58/38/30/555583830.db2.gz	COAHJAHKXSBBTJ-IBGZPJMESA-N	-1	0	453.545	3.561	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NCCc4ccco4)cc3s2)cc1	ZINC000013720804	555596360	/nfs/dbraw/zinc/59/63/60/555596360.db2.gz	JTYKDLFTGAIFNK-UHFFFAOYSA-N	-1	0	457.533	3.671	50	0		JHAARM
COc1cc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccco2)c3=O)cc(OC)c1OC	ZINC000014064691	555675277	/nfs/dbraw/zinc/67/52/77/555675277.db2.gz	CKUJFQLUWJKQHQ-UHFFFAOYSA-N	-1	0	467.503	3.605	50	0		JHAARM
C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O	ZINC000014075076	555679575	/nfs/dbraw/zinc/67/95/75/555679575.db2.gz	KPNXTPPYIZWTMF-HHHXNRCGSA-N	-1	0	480.528	3.522	50	0		JHAARM
O=C([O-])[C@H](CCCCNC(=O)c1cccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000015721396	555955915	/nfs/dbraw/zinc/95/59/15/555955915.db2.gz	CRRQIRUSEYKWPF-DEOSSOPVSA-N	-1	0	473.529	3.974	50	0		JHAARM
[O-]c1c([C@H](c2ccc(Br)cc2)N2CCOCC2)sc2nc(-c3ccco3)nn12	ZINC000022852085	555958827	/nfs/dbraw/zinc/95/88/27/555958827.db2.gz	SIFVSOCWLVYJOI-HNNXBMFYSA-N	-1	0	461.341	3.941	50	0		JHAARM
CC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccc(Cl)cc2)CC1	ZINC000022851999	555958886	/nfs/dbraw/zinc/95/88/86/555958886.db2.gz	QSISVOZPUIDHIQ-KRWDZBQOSA-N	-1	0	457.943	3.663	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(Cc4ccccc4)CC3)c([O-])n2n1	ZINC000022854731	555961170	/nfs/dbraw/zinc/96/11/70/555961170.db2.gz	HZWWMMFBZHCPGQ-QFIPXVFZSA-N	-1	0	463.607	3.975	50	0		JHAARM
CCN(CC)S(=O)(=O)c1ccc(NC)c([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1	ZINC000012526411	555994991	/nfs/dbraw/zinc/99/49/91/555994991.db2.gz	YYRKZCKWMVHKRE-UHFFFAOYSA-N	-1	0	466.412	3.866	50	0		JHAARM
Cc1nc2ccccc2n1CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000023042628	556001796	/nfs/dbraw/zinc/00/17/96/556001796.db2.gz	BGPNXKAZZQUVSL-UHFFFAOYSA-N	-1	0	452.511	3.715	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccncc3)ccc2OC)cc1Br	ZINC000012536268	556009269	/nfs/dbraw/zinc/00/92/69/556009269.db2.gz	PTRXCMIJKXHBSJ-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2	ZINC000012552589	556035998	/nfs/dbraw/zinc/03/59/98/556035998.db2.gz	HHDPCSCSEOJYEN-AWEZNQCLSA-N	-1	0	486.477	3.539	50	0		JHAARM
O=S(=O)([N-]c1cccc(-c2nnnn2C2CC2)c1)c1ccc(Br)cc1Cl	ZINC000012584849	556082298	/nfs/dbraw/zinc/08/22/98/556082298.db2.gz	DBXZBYYLUCDCGJ-UHFFFAOYSA-N	-1	0	454.737	3.892	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3C)ccc2OC)cc1Br	ZINC000015946967	556084362	/nfs/dbraw/zinc/08/43/62/556084362.db2.gz	USBXUBWJMMNTMF-BXUZGUMPSA-N	-1	0	469.357	3.862	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3C)ccc2OC)cc1Br	ZINC000015946963	556084466	/nfs/dbraw/zinc/08/44/66/556084466.db2.gz	USBXUBWJMMNTMF-SMDDNHRTSA-N	-1	0	469.357	3.862	50	0		JHAARM
CCOc1c(Br)cc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000024345830	556129508	/nfs/dbraw/zinc/12/95/08/556129508.db2.gz	GBIUNMWVDBITPT-UHFFFAOYSA-N	-1	0	461.721	3.633	50	0		JHAARM
COc1ccc(C(NC(=O)CSc2nc(CC(=O)[O-])cs2)c2ccc(OC)cc2)cc1	ZINC000012925179	556143459	/nfs/dbraw/zinc/14/34/59/556143459.db2.gz	FFJORKFIXAZMKL-UHFFFAOYSA-N	-1	0	458.561	3.785	50	0		JHAARM
CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)n2CCC(=O)[O-])cc1	ZINC000012931544	556148173	/nfs/dbraw/zinc/14/81/73/556148173.db2.gz	NQNWWXCHAHBLAN-HNNXBMFYSA-N	-1	0	497.577	3.896	50	0		JHAARM
O=C(CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCCc1ccc(F)cc1	ZINC000016848446	556169898	/nfs/dbraw/zinc/16/98/98/556169898.db2.gz	PHCWSEJMHSEASD-UHFFFAOYSA-N	-1	0	451.520	3.514	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)n1	ZINC000013042070	556248352	/nfs/dbraw/zinc/24/83/52/556248352.db2.gz	IKXFSVUEYUFJBO-UHFFFAOYSA-N	-1	0	474.608	3.993	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(CC)ccc3OC)ccc21	ZINC000017286957	556250829	/nfs/dbraw/zinc/25/08/29/556250829.db2.gz	OZOZYCYCCVCHCC-UHFFFAOYSA-N	-1	0	452.598	3.551	50	0		JHAARM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)COc2cccc(C(F)(F)F)c2)C(=O)C[C@@H]1O	ZINC000027641705	556301366	/nfs/dbraw/zinc/30/13/66/556301366.db2.gz	MDMHJAKZGBRYTF-KYUUVOLFSA-N	-1	0	456.457	3.769	50	0	in-vitro	JHAARM
Cc1ccc2nc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)sc2c1	ZINC000028690681	556339889	/nfs/dbraw/zinc/33/98/89/556339889.db2.gz	CPDRUEWTWYMFOS-UHFFFAOYSA-N	-1	0	479.543	3.827	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000031818578	556407999	/nfs/dbraw/zinc/40/79/99/556407999.db2.gz	KKORHHKUHOKNLB-QHCPKHFHSA-N	-1	0	484.940	3.573	50	0		JHAARM
COc1cc(CN(C)C(=O)c2ccccc2[N-]S(C)(=O)=O)ccc1OCc1ccccc1	ZINC000032731518	556477027	/nfs/dbraw/zinc/47/70/27/556477027.db2.gz	OCUVDFUNIVONIZ-UHFFFAOYSA-N	-1	0	454.548	3.918	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COCc3nc4ccccc4s3)cc2)nc(C)n1	ZINC000032740546	556480149	/nfs/dbraw/zinc/48/01/49/556480149.db2.gz	YDSDHTOEBDZAIS-UHFFFAOYSA-N	-1	0	483.575	3.659	50	0		JHAARM
COc1cccc(CNC(=O)CCCCCn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)c1	ZINC000008682942	562951678	/nfs/dbraw/zinc/95/16/78/562951678.db2.gz	WLXMPMPLITYMDD-UHFFFAOYSA-N	-1	0	496.633	3.781	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NS(=O)(=O)c2cccc(F)c2)c1	ZINC000032962002	569602626	/nfs/dbraw/zinc/60/26/26/569602626.db2.gz	NQFDXPBYSFAWPE-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N(C)CCCc3c(C)nn(C)c3C)c(C(=O)[O-])c2)cc1	ZINC000032962269	569603047	/nfs/dbraw/zinc/60/30/47/569603047.db2.gz	MMVVEBFVKVIPBQ-UHFFFAOYSA-N	-1	0	498.605	3.808	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)ccc1C	ZINC000032975676	569606260	/nfs/dbraw/zinc/60/62/60/569606260.db2.gz	VUUWCABGMMJIQF-RTBURBONSA-N	-1	0	456.564	3.788	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)c(C)c3)[nH]n2)cc1	ZINC000032985000	569608265	/nfs/dbraw/zinc/60/82/65/569608265.db2.gz	OQXYDRCSIOGLHB-UHFFFAOYSA-N	-1	0	479.356	3.932	50	0		JHAARM
CCS(=O)(=O)Nc1ccc2nc(N3CCN(c4cccc(C)c4C)CC3)cc(C(=O)[O-])c2c1	ZINC000032985164	569608305	/nfs/dbraw/zinc/60/83/05/569608305.db2.gz	IYEZAWMSWAOTQX-UHFFFAOYSA-N	-1	0	468.579	3.638	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccc(OC)cc3)c(C(=O)[O-])c2)C1	ZINC000064589220	569620876	/nfs/dbraw/zinc/62/08/76/569620876.db2.gz	WEEPIGWNTDJGSR-GOSISDBHSA-N	-1	0	454.523	3.744	50	0		JHAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(NC(=O)c4ccc(F)cc4)c(C(=O)[O-])c3)CC2)c1	ZINC000064589476	569621058	/nfs/dbraw/zinc/62/10/58/569621058.db2.gz	LQYNXOHVBZRUPD-UHFFFAOYSA-N	-1	0	490.535	3.845	50	0		JHAARM
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)N2CCc3ccccc32)[n-]c1=O	ZINC000064774635	569626869	/nfs/dbraw/zinc/62/68/69/569626869.db2.gz	PKHNHZUJEIWDBC-HNNXBMFYSA-N	-1	0	463.563	3.909	50	0		JHAARM
CC[C@@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1cc(F)ccc1F	ZINC000064774693	569626915	/nfs/dbraw/zinc/62/69/15/569626915.db2.gz	RCDFKINBRRKQDJ-QGZVFWFLSA-N	-1	0	459.478	3.990	50	0		JHAARM
Cc1nn2c(c1-c1ccc(Cl)c(S(=O)(=O)[N-]c3ccc(C)cc3)c1)NC(=O)CCC2=O	ZINC000065011066	569648100	/nfs/dbraw/zinc/64/81/00/569648100.db2.gz	KQSOYRIPCCLPAZ-UHFFFAOYSA-N	-1	0	458.927	3.994	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4ccc(CC)cc4)c(Cl)cc32)no1	ZINC000065022478	569649091	/nfs/dbraw/zinc/64/90/91/569649091.db2.gz	RJGRBFPQGMCRQC-UHFFFAOYSA-N	-1	0	476.942	3.574	50	0		JHAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4cccc(CC)c4)c(Cl)cc32)no1	ZINC000065022512	569649126	/nfs/dbraw/zinc/64/91/26/569649126.db2.gz	LPTBURPRHLCZIX-UHFFFAOYSA-N	-1	0	476.942	3.574	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(C)n3)c(C)n2C)sc1C(=O)N1CCC(C)CC1	ZINC000065036164	569653191	/nfs/dbraw/zinc/65/31/91/569653191.db2.gz	BILQUJBGEJGWQL-UHFFFAOYSA-N	-1	0	487.651	4.142	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(C)ccn3)c(C)n2C)sc1C(=O)N1CCCCCC1	ZINC000065036302	569653332	/nfs/dbraw/zinc/65/33/32/569653332.db2.gz	ZAIBZMYUPBFTTJ-UHFFFAOYSA-N	-1	0	487.651	4.286	50	0		JHAARM
O=C(CCc1nnc(-c2ccc(OCc3cccc(F)c3)cc2)[n-]c1=O)NCc1ccncc1	ZINC000034763136	569658069	/nfs/dbraw/zinc/65/80/69/569658069.db2.gz	UDAYCIULMAPFFQ-UHFFFAOYSA-N	-1	0	459.481	3.606	50	0		JHAARM
COc1ccc(CCNC(=O)CCc2nnc(-c3ccc(OCC(C)C)cc3)[n-]c2=O)cc1OC	ZINC000034763890	569658224	/nfs/dbraw/zinc/65/82/24/569658224.db2.gz	QYHVADRLVONZRK-UHFFFAOYSA-N	-1	0	480.565	3.588	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCCc3ccccc3)c(=O)[n-]2)ccc1OCC(C)C	ZINC000034767237	569658785	/nfs/dbraw/zinc/65/87/85/569658785.db2.gz	ZDKKYSFOOUMTLX-UHFFFAOYSA-N	-1	0	450.539	3.579	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3ccc(C(F)(F)F)cc3)c2)no1)N1CCCC1	ZINC000065097443	569661135	/nfs/dbraw/zinc/66/11/35/569661135.db2.gz	PSKSZHIFTRQEBZ-UHFFFAOYSA-N	-1	0	472.470	3.854	50	0		JHAARM
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(-c2noc(C(=O)N3CCCC3)n2)cs1	ZINC000065097349	569661139	/nfs/dbraw/zinc/66/11/39/569661139.db2.gz	COWOZFQVKDWWOI-UHFFFAOYSA-N	-1	0	452.945	3.797	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2OC)c1	ZINC000065116094	569666113	/nfs/dbraw/zinc/66/61/13/569666113.db2.gz	BAXGIFODDBLCSY-UHFFFAOYSA-N	-1	0	475.523	3.689	50	0		JHAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3c(C)noc3NC(C)=O)ccc2OC)cc1	ZINC000065115990	569666222	/nfs/dbraw/zinc/66/62/22/569666222.db2.gz	UZZDIQSPDBPJGC-UHFFFAOYSA-N	-1	0	473.507	3.595	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1	ZINC000065116213	569666344	/nfs/dbraw/zinc/66/63/44/569666344.db2.gz	TUFKEZDTKZVLBS-UHFFFAOYSA-N	-1	0	451.451	3.950	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1	ZINC000065116181	569666403	/nfs/dbraw/zinc/66/64/03/569666403.db2.gz	ARCUDOWCMBHOGJ-UHFFFAOYSA-N	-1	0	457.508	3.874	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)n(C)c1	ZINC000065137439	569668200	/nfs/dbraw/zinc/66/82/00/569668200.db2.gz	ZGJIFGNTFQNYDV-UHFFFAOYSA-N	-1	0	474.608	3.893	50	0		JHAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2)c1	ZINC000065137466	569668352	/nfs/dbraw/zinc/66/83/52/569668352.db2.gz	JVMWDRHPXGWOLH-UHFFFAOYSA-N	-1	0	474.608	3.893	50	0		JHAARM
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1)C(=O)Nc1ccc(OC)cc1	ZINC000035377882	569685324	/nfs/dbraw/zinc/68/53/24/569685324.db2.gz	MIYZYPVNVFLVLL-SFHVURJKSA-N	-1	0	453.524	3.721	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1[C@H](C(=O)[O-])COC1(C)C	ZINC000071788175	569698394	/nfs/dbraw/zinc/69/83/94/569698394.db2.gz	KTHJSWOIIDYVSO-GMWOSMDTSA-N	-1	0	480.561	3.988	50	0		JHAARM
CCn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1F)C(C)C	ZINC000072191538	569699974	/nfs/dbraw/zinc/69/99/74/569699974.db2.gz	WCERUGGTYBCKPT-HXUWFJFHSA-N	-1	0	499.568	3.993	50	0		JHAARM
O=C(NCc1ccc(Cn2cncn2)cc1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000078796692	569706734	/nfs/dbraw/zinc/70/67/34/569706734.db2.gz	LNXFLDZHOYEYQT-UHFFFAOYSA-N	-1	0	467.938	3.929	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1	ZINC000089453923	569718513	/nfs/dbraw/zinc/71/85/13/569718513.db2.gz	JMFMNQVALMZGGC-UHFFFAOYSA-N	-1	0	476.457	3.570	50	0		JHAARM
COc1ccc(-c2coc3c(c([O-])cc4c3[C@H](c3cnn5cccnc35)CC(=O)O4)c2=O)cc1	ZINC000095474850	569724120	/nfs/dbraw/zinc/72/41/20/569724120.db2.gz	UUMACTMJQLJPCJ-HNNXBMFYSA-N	-1	0	455.426	3.658	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C(C)C)c1Oc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)NC1CC1	ZINC000095857736	569729334	/nfs/dbraw/zinc/72/93/34/569729334.db2.gz	NVCHCAOKSIGBAZ-UHFFFAOYSA-N	-1	0	490.582	3.832	50	0		JHAARM
CN1CCN(C(=O)C[C@H](c2ccco2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096113843	569732883	/nfs/dbraw/zinc/73/28/83/569732883.db2.gz	XSNPSHZSXOSYGK-GOSISDBHSA-N	-1	0	474.513	3.760	50	0	biogenic	JHAARM
O=C(C[C@@H](c1cccnc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096114365	569733413	/nfs/dbraw/zinc/73/34/13/569733413.db2.gz	FXHJUNNPAAJHAW-IBGZPJMESA-N	-1	0	472.497	3.647	50	0	biogenic	JHAARM
CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C(N2CCOCC2)C(=O)N(CC(C)C)C1=O	ZINC000035960926	569736600	/nfs/dbraw/zinc/73/66/00/569736600.db2.gz	CHFNGBATZKSHPF-UHFFFAOYSA-N	-1	0	493.391	3.515	50	0		JHAARM
Cc1ccc(-c2noc(CCCC(=O)N3CCc4nc5cc(-c6ccccc6)[n-]n5c(=O)c4C3)n2)cc1	ZINC000097942128	569746125	/nfs/dbraw/zinc/74/61/25/569746125.db2.gz	SKUIEWMAJSJOMB-UHFFFAOYSA-N	-1	0	494.555	3.956	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Br)cc4)c=3c2=O)cc1	ZINC000100033923	569751660	/nfs/dbraw/zinc/75/16/60/569751660.db2.gz	KNOBJBFPBOCMOO-RTBURBONSA-N	-1	0	470.327	3.504	50	0		JHAARM
O=C([O-])c1ccc2c([C@H](C(=O)[O-])[NH+]3CCN(CCc4ccccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036358139	569772108	/nfs/dbraw/zinc/77/21/08/569772108.db2.gz	OVNDSAIDZJYQFT-HHHXNRCGSA-N	-1	0	498.583	3.769	50	0		JHAARM
O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(F)cc21	ZINC000036358868	569772299	/nfs/dbraw/zinc/77/22/99/569772299.db2.gz	OSZAYZIPNYTVJH-CIFMFNLYSA-N	-1	0	465.525	3.712	50	0		JHAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(Cl)cc21	ZINC000036360922	569772736	/nfs/dbraw/zinc/77/27/36/569772736.db2.gz	MTVUUUKVZHQGBN-JOCHJYFZSA-N	-1	0	476.360	3.976	50	0		JHAARM
Cc1ccc(NC(NCc2cccnc2)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1	ZINC000101378171	569795203	/nfs/dbraw/zinc/79/52/03/569795203.db2.gz	KZCNYBGLPUCTQP-FCQUAONHSA-N	-1	0	455.518	3.703	50	0		JHAARM
COc1ccccc1CNC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000101382538	569795423	/nfs/dbraw/zinc/79/54/23/569795423.db2.gz	KAWUHFLRCIVREV-FCQUAONHSA-N	-1	0	456.502	3.700	50	0		JHAARM
Cn1c([O-])c(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)c(=O)n(C)c1=O	ZINC000101494804	569800070	/nfs/dbraw/zinc/80/00/70/569800070.db2.gz	OISKEYIJOHMFDZ-QGZVFWFLSA-N	-1	0	472.364	3.910	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4cc(Cl)ccc4O)[nH]n3)cc2)n1	ZINC000038703736	569806152	/nfs/dbraw/zinc/80/61/52/569806152.db2.gz	HUDIUQPTNBPCBZ-UHFFFAOYSA-N	-1	0	498.952	3.896	50	0		JHAARM
COc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1C	ZINC000102290352	569812168	/nfs/dbraw/zinc/81/21/68/569812168.db2.gz	FJVAYQHKHLBJFP-HDICACEKSA-N	-1	0	460.527	3.619	50	0		JHAARM
CCOc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)cc2)n(C)c(=O)c(=O)n3C)cc1	ZINC000102513041	569813710	/nfs/dbraw/zinc/81/37/10/569813710.db2.gz	QHMNGXIJDZBJGD-UHFFFAOYSA-N	-1	0	495.557	3.537	50	0		JHAARM
COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)c1	ZINC000102810700	569824073	/nfs/dbraw/zinc/82/40/73/569824073.db2.gz	ZEZANUCJTQUDTB-SFHVURJKSA-N	-1	0	454.870	3.789	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3c(cc2Br)C[C@H](C)N3C(C)=O)c1	ZINC000040450594	569828699	/nfs/dbraw/zinc/82/86/99/569828699.db2.gz	NVBGXUDNZRSOGR-LBPRGKRZSA-N	-1	0	481.368	3.724	50	0		JHAARM
Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cccc(C(F)(F)F)c3)c(=O)[n-]2)c(C)c1	ZINC000046016289	569842222	/nfs/dbraw/zinc/84/22/22/569842222.db2.gz	UQKXFTVEFUORQR-UHFFFAOYSA-N	-1	0	497.520	3.969	50	0		JHAARM
COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(OC)c2OC)CC(=O)N3)c1	ZINC000049543256	569848433	/nfs/dbraw/zinc/84/84/33/569848433.db2.gz	BHDMYAHWPBGBOG-OAHLLOKOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(OC)c(OC)c2)CC(=O)N3)c(OC)c1	ZINC000049543316	569848473	/nfs/dbraw/zinc/84/84/73/569848473.db2.gz	QSVXSJHPUGWGHQ-OAHLLOKOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1Oc1c(C)c(C(=O)[O-])nn1C(C)(C)C	ZINC000106889542	569855888	/nfs/dbraw/zinc/85/58/88/569855888.db2.gz	MQIIVUQMJZCEGH-ZDUSSCGKSA-N	-1	0	492.598	3.862	50	0		JHAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)[O-])c1	ZINC000218186431	569882994	/nfs/dbraw/zinc/88/29/94/569882994.db2.gz	VHTQXEBTXGUGPW-LJQANCHMSA-N	-1	0	454.479	3.633	50	0		JHAARM
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(F)c4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1OC	ZINC000226886429	570039079	/nfs/dbraw/zinc/03/90/79/570039079.db2.gz	NSOLINBOXUOZHN-YZUZCNPQSA-N	-1	0	478.476	3.903	50	0		JHAARM
CC(=O)[C@@H]1[C@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21	ZINC000245310698	570063242	/nfs/dbraw/zinc/06/32/42/570063242.db2.gz	KAEOTRDEZHXOGW-UDFVPUEDSA-N	-1	0	453.473	3.783	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCCC[C@H]43)C2=O)cc1	ZINC000248152483	570075703	/nfs/dbraw/zinc/07/57/03/570075703.db2.gz	XBXBRAGULDMOJL-WMZHIEFXSA-N	-1	0	473.451	3.898	50	0		JHAARM
COc1cc([C@@H](CC(=O)NCc2ccco2)c2c([O-])c3ccccc3oc2=O)cc(OC)c1OC	ZINC000253470737	570099039	/nfs/dbraw/zinc/09/90/39/570099039.db2.gz	BTTQLFCYEZXJPL-GOSISDBHSA-N	-1	0	479.485	3.956	50	0		JHAARM
COc1ccc(NC(=O)C[C@H](c2cc(OC)c3c(c2OC)OCO3)c2c([O-])cc(C)oc2=O)cc1	ZINC000253471216	570099277	/nfs/dbraw/zinc/09/92/77/570099277.db2.gz	NUFULBAISIGVPX-MRXNPFEDSA-N	-1	0	483.473	3.569	50	0		JHAARM
COc1cccc(NC(=O)C[C@@H](c2cc3c(c(OC)c2)OCO3)c2c([O-])cc(C)oc2=O)c1	ZINC000253471418	570099366	/nfs/dbraw/zinc/09/93/66/570099366.db2.gz	RJLWRXHGGUWPOL-KRWDZBQOSA-N	-1	0	453.447	3.560	50	0		JHAARM
COc1ccc([C@H](CC(=O)NCCc2ccc(O)cc2)c2c([O-])c3ccccc3oc2=O)cc1O	ZINC000253471447	570099369	/nfs/dbraw/zinc/09/93/69/570099369.db2.gz	SUMWVPJQWHRVDF-FQEVSTJZSA-N	-1	0	475.497	3.799	50	0		JHAARM
O=C([O-])c1cccc(-n2cccc2/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1	ZINC000001005998	194002067	/nfs/dbraw/zinc/00/20/67/194002067.db2.gz	BFVMTBOPAXURLB-XDHOZWIPSA-N	-1	0	465.462	3.990	50	0		JHAARM
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc(C(=O)[O-])c4)cc3C2=O)cc1	ZINC000001438084	194120486	/nfs/dbraw/zinc/12/04/86/194120486.db2.gz	FRXMEEUTPRVZSH-UHFFFAOYSA-N	-1	0	458.426	3.614	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)sc3Cl)cc2)nc(OC)n1	ZINC000001770500	194136484	/nfs/dbraw/zinc/13/64/84/194136484.db2.gz	KASXIYDGTGFDDE-UHFFFAOYSA-N	-1	0	489.362	3.915	50	0		JHAARM
COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(=O)[O-])cc1	ZINC000002932556	194173607	/nfs/dbraw/zinc/17/36/07/194173607.db2.gz	WVJNEQZLXBVHMR-UHFFFAOYSA-N	-1	0	461.565	3.842	50	0		JHAARM
COc1ccccc1C(=O)N[C@@H](NC(=S)Nc1ccc(C(=O)[O-])cc1)C(Cl)(Cl)Cl	ZINC000003053185	194219948	/nfs/dbraw/zinc/21/99/48/194219948.db2.gz	XOTRUQMYLNQYNT-INIZCTEOSA-N	-1	0	476.769	3.806	50	0		JHAARM
CCC(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1	ZINC000003318974	194280234	/nfs/dbraw/zinc/28/02/34/194280234.db2.gz	IQMTZGCAERROPU-UHFFFAOYSA-N	-1	0	468.535	3.504	50	0		JHAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)C(C)(C)C)c2)cc1Cl	ZINC000003346798	194293543	/nfs/dbraw/zinc/29/35/43/194293543.db2.gz	VXMJEBYWFYLNSC-UHFFFAOYSA-N	-1	0	469.943	3.930	50	0		JHAARM
O=C(c1cnn(C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1)c1cc(F)ccc1[O-]	ZINC000003348762	194295001	/nfs/dbraw/zinc/29/50/01/194295001.db2.gz	ISDURJQQLLNFMV-UHFFFAOYSA-N	-1	0	453.433	3.895	50	0		JHAARM
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1	ZINC000003624381	194342783	/nfs/dbraw/zinc/34/27/83/194342783.db2.gz	PXTCPMHSTHJHBQ-UHFFFAOYSA-N	-1	0	486.453	3.521	50	0		JHAARM
CCCC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)(C(F)(F)F)C(F)(F)F	ZINC000003991787	194367963	/nfs/dbraw/zinc/36/79/63/194367963.db2.gz	UGOUFIBHZSPYIW-UHFFFAOYSA-N	-1	0	488.410	3.933	50	0		JHAARM
COc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000004647634	194393419	/nfs/dbraw/zinc/39/34/19/194393419.db2.gz	BZMPVGJQVJLSGE-SFHVURJKSA-N	-1	0	494.569	3.939	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	ZINC000009128297	194556239	/nfs/dbraw/zinc/55/62/39/194556239.db2.gz	HDOQMFUBFHXMQT-UHFFFAOYSA-N	-1	0	497.617	3.767	50	0		JHAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccccc1C(F)(F)F	ZINC000012605371	195050626	/nfs/dbraw/zinc/05/06/26/195050626.db2.gz	NPGGTNZXDDXNJN-UHFFFAOYSA-N	-1	0	460.455	3.578	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(OC)cc1)C(=O)[O-]	ZINC000012890923	195172891	/nfs/dbraw/zinc/17/28/91/195172891.db2.gz	WZOFYXICHCTAOM-UQDCGMOVSA-N	-1	0	456.539	3.869	50	0	biogenic	JHAARM
Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(-c4nnc5n4CCCCC5)c3)cc12	ZINC000058171113	195370753	/nfs/dbraw/zinc/37/07/53/195370753.db2.gz	MCQDZJSLORBSTJ-UHFFFAOYSA-N	-1	0	458.931	3.970	50	0		JHAARM
CCCC(=O)Nc1ccc2nc(N3CCN(CC(=O)Nc4cccc(C)c4)CC3)cc(C(=O)[O-])c2c1	ZINC000033260621	519878757	/nfs/dbraw/zinc/87/87/57/519878757.db2.gz	RCHOLYHELRJBAF-UHFFFAOYSA-N	-1	0	489.576	3.741	50	0		JHAARM
CCOC(=O)C1=C(C)N(c2ccc(F)cc2)C(=S)N[C@@H]1c1ccc(OCCC(=O)[O-])cc1	ZINC000040152392	520479942	/nfs/dbraw/zinc/47/99/42/520479942.db2.gz	XNVULAQKGPCRLR-OAQYLSRUSA-N	-1	0	458.511	3.952	50	0		JHAARM
CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC(=O)Nc1ccccc1OC	ZINC000022638120	520618932	/nfs/dbraw/zinc/61/89/32/520618932.db2.gz	ZVWNQIRPPKSOAQ-CMDGGOBGSA-N	-1	0	450.285	3.972	50	0		JHAARM
CCOc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1OC	ZINC000033335922	520852097	/nfs/dbraw/zinc/85/20/97/520852097.db2.gz	UPMDDWHKJDCFRC-QPEQYQDCSA-N	-1	0	482.562	3.953	50	0		JHAARM
CCOc1ccc(N2C[C@H](c3nnc([N-]C(=O)c4ccc(Br)o4)o3)CC2=O)cc1	ZINC000033169895	521045187	/nfs/dbraw/zinc/04/51/87/521045187.db2.gz	MJCOVMCGDRWUCF-LLVKDONJSA-N	-1	0	461.272	3.597	50	0		JHAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CSCc3ccccc3)C(=O)[O-])ccc12	ZINC000002123250	521348449	/nfs/dbraw/zinc/34/84/49/521348449.db2.gz	XOCVFOWTRNFSPR-FQEVSTJZSA-N	-1	0	469.559	3.936	50	0	biogenic	JHAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)cc1	ZINC000033171411	521521030	/nfs/dbraw/zinc/52/10/30/521521030.db2.gz	IGXUNRYAFCQCHI-UHFFFAOYSA-N	-1	0	480.546	3.999	50	0		JHAARM
COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1OC	ZINC000012508065	522024200	/nfs/dbraw/zinc/02/42/00/522024200.db2.gz	HESQNEJQVAXDMF-UHFFFAOYSA-N	-1	0	469.357	3.702	50	0		JHAARM
COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2cccc3nsnc32)c1	ZINC000033170539	522290708	/nfs/dbraw/zinc/29/07/08/522290708.db2.gz	XAGKWFHVSOWREN-UHFFFAOYSA-N	-1	0	468.516	3.531	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c1)NC(=O)CCC2=O	ZINC000033276733	522706953	/nfs/dbraw/zinc/70/69/53/522706953.db2.gz	NHISXJBCGMOVFK-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
COc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1OC	ZINC000033333961	523433342	/nfs/dbraw/zinc/43/33/42/523433342.db2.gz	IAZZJOSRGOLSOP-SDQBBNPISA-N	-1	0	457.508	3.761	50	0		JHAARM
COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3OC)c2)cc1F	ZINC000012508078	524001122	/nfs/dbraw/zinc/00/11/22/524001122.db2.gz	LZVJXMWPMAKAFQ-UHFFFAOYSA-N	-1	0	458.511	3.916	50	0		JHAARM
COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000016050697	524639222	/nfs/dbraw/zinc/63/92/22/524639222.db2.gz	VHOIZBATBUIJBH-UHFFFAOYSA-N	-1	0	458.467	3.659	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2c3oc(C(=O)N4CCOCC4)c(C)c3cc(C)c2C)c1	ZINC000065010813	524869577	/nfs/dbraw/zinc/86/95/77/524869577.db2.gz	GASHRSGZKLDPDF-UHFFFAOYSA-N	-1	0	488.562	3.648	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253124	525082525	/nfs/dbraw/zinc/08/25/25/525082525.db2.gz	KSRKKISILKJTDR-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4OC)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253068	525083697	/nfs/dbraw/zinc/08/36/97/525083697.db2.gz	GJMULROGDPRCCZ-UHFFFAOYSA-N	-1	0	497.573	3.529	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCCC4)s3)n(C)c2C)no1	ZINC000021708009	525288765	/nfs/dbraw/zinc/28/87/65/525288765.db2.gz	QOQPCHFATMJRFZ-UHFFFAOYSA-N	-1	0	477.612	3.879	50	0		JHAARM
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(=O)Nc2ccc(F)c(F)c2)ccc1F	ZINC000008826138	525422729	/nfs/dbraw/zinc/42/27/29/525422729.db2.gz	BBDHYDJIRAXZDK-UHFFFAOYSA-N	-1	0	477.464	3.582	50	0		JHAARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1	ZINC000016263280	525463737	/nfs/dbraw/zinc/46/37/37/525463737.db2.gz	DQGQTGXWFWAPSA-QFIPXVFZSA-N	-1	0	467.932	3.838	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccn4)CC3)c(C(=O)[O-])c2)cc1C	ZINC000033253029	525606108	/nfs/dbraw/zinc/60/61/08/525606108.db2.gz	SFENSYRXCQJGDZ-UHFFFAOYSA-N	-1	0	466.563	3.524	50	0		JHAARM
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253234	525606279	/nfs/dbraw/zinc/60/62/79/525606279.db2.gz	FNDWXJAZTMUECX-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
Cc1ccc([C@@H]2CC(c3ccccc3NS(=O)(=O)c3ccccc3)=NN2C(=O)CCC(=O)[O-])o1	ZINC000046085329	525795788	/nfs/dbraw/zinc/79/57/88/525795788.db2.gz	DYRHWVYUVQQUKR-NRFANRHFSA-N	-1	0	481.530	3.931	50	0		JHAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc21	ZINC000006141961	525893226	/nfs/dbraw/zinc/89/32/26/525893226.db2.gz	JYJKFPHFTQEGGV-INIZCTEOSA-N	-1	0	468.506	3.761	50	0		JHAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCc2ccccc21	ZINC000006141962	525896213	/nfs/dbraw/zinc/89/62/13/525896213.db2.gz	JYJKFPHFTQEGGV-MRXNPFEDSA-N	-1	0	468.506	3.761	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(c2ccc(F)cc2)CC1	ZINC000033253044	526352677	/nfs/dbraw/zinc/35/26/77/526352677.db2.gz	AEMALZKQCBAMAQ-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
NC(=O)C1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(Br)cc4)ccc3n2)CC1	ZINC000033260511	526858082	/nfs/dbraw/zinc/85/80/82/526858082.db2.gz	GDYRWEXVLOICNC-UHFFFAOYSA-N	-1	0	497.349	3.650	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(=O)[O-]	ZINC000033253684	527620889	/nfs/dbraw/zinc/62/08/89/527620889.db2.gz	BMCJLORBFIMUJP-UHFFFAOYSA-N	-1	0	456.568	3.605	50	0		JHAARM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1Br	ZINC000000672595	553746150	/nfs/dbraw/zinc/74/61/50/553746150.db2.gz	AOAMRZPABVFEER-UHFFFAOYSA-N	-1	0	466.313	3.807	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)n1	ZINC000000676878	553750400	/nfs/dbraw/zinc/75/04/00/553750400.db2.gz	CEAMYXJWHMIUER-UHFFFAOYSA-N	-1	0	460.943	3.874	50	0		JHAARM
Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(C)c1	ZINC000000683106	553754676	/nfs/dbraw/zinc/75/46/76/553754676.db2.gz	NQLJBLDDVJTHDQ-SFHVURJKSA-N	-1	0	454.552	3.917	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)n1	ZINC000000888882	553826954	/nfs/dbraw/zinc/82/69/54/553826954.db2.gz	RYYTVURNTMQONC-UHFFFAOYSA-N	-1	0	453.343	3.662	50	0		JHAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(C)c2cc1Cl	ZINC000002118128	554054281	/nfs/dbraw/zinc/05/42/81/554054281.db2.gz	IIIXZBYLPTUVOB-KRWDZBQOSA-N	-1	0	464.301	3.771	50	0	biogenic	JHAARM
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002136786	554062124	/nfs/dbraw/zinc/06/21/24/554062124.db2.gz	PAJYZTOAWHRLFC-BUXKBTBVSA-N	-1	0	484.892	3.521	50	0	biogenic	JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)[O-])c(=O)oc2c1C	ZINC000002155964	554072653	/nfs/dbraw/zinc/07/26/53/554072653.db2.gz	NCYIZHWVHQVPLE-IBGZPJMESA-N	-1	0	457.910	3.817	50	0	biogenic	JHAARM
O=C([O-])[C@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(N2CCN(c4ccc(F)cc4)CC2)c(Cl)c1=O)C3	ZINC000002194855	554088655	/nfs/dbraw/zinc/08/86/55/554088655.db2.gz	HWUKWHLMHXNHCG-SGIVJYKVSA-N	-1	0	486.975	3.598	50	0		JHAARM
CSCC[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000002275437	554128798	/nfs/dbraw/zinc/12/87/98/554128798.db2.gz	WNTOYMIYHAEKCQ-GFWHJHDHSA-N	-1	0	477.380	3.543	50	0		JHAARM
Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)nc(C)n4)cc3)cc(=O)c2c1	ZINC000002338777	554155258	/nfs/dbraw/zinc/15/52/58/554155258.db2.gz	USSGOTQNSZWZRB-UHFFFAOYSA-N	-1	0	478.530	3.870	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)nc(C)n1	ZINC000002740052	554321015	/nfs/dbraw/zinc/32/10/15/554321015.db2.gz	MHGIWZIXSVFAHH-UHFFFAOYSA-N	-1	0	461.341	3.909	50	0		JHAARM
Cc1cc2c(nc(C)n([N-]C(=O)c3cnn4c3nc(-c3ccco3)cc4C(F)(F)F)c2=O)s1	ZINC000002779273	554341038	/nfs/dbraw/zinc/34/10/38/554341038.db2.gz	OFNGEEOXTSJVCA-UHFFFAOYSA-N	-1	0	474.424	3.780	50	0		JHAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(COc2ccc(Br)cc2)c1	ZINC000002803915	554354969	/nfs/dbraw/zinc/35/49/69/554354969.db2.gz	XUEIDOBCDQDFJZ-UHFFFAOYSA-N	-1	0	476.303	3.691	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)n1	ZINC000002840886	554372706	/nfs/dbraw/zinc/37/27/06/554372706.db2.gz	CNYCBMJBYOMKSJ-UHFFFAOYSA-N	-1	0	466.563	3.581	50	0		JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)c(Cl)c1Cl	ZINC000002851702	554379952	/nfs/dbraw/zinc/37/99/52/554379952.db2.gz	YICQPEBFIVNSCS-UHFFFAOYSA-N	-1	0	465.380	3.587	50	0		JHAARM
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2[n-]c1=S	ZINC000003052000	554424820	/nfs/dbraw/zinc/42/48/20/554424820.db2.gz	HTQPHWNPKRWFSY-UHFFFAOYSA-N	-1	0	486.597	3.705	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)cc2)s1	ZINC000006088681	554503478	/nfs/dbraw/zinc/50/34/78/554503478.db2.gz	JRXSOLRHGOUUJD-MDWZMJQESA-N	-1	0	487.632	3.736	50	0		JHAARM
COc1ccc(-c2cnn3cc4c(nc23)-c2cc3c(cc2C4[N-]C(=O)C(F)(F)F)OCO3)cc1OC	ZINC000008873955	554770666	/nfs/dbraw/zinc/77/06/66/554770666.db2.gz	KVVMBRNDZUGPQU-NRFANRHFSA-N	-1	0	498.417	3.891	50	0		JHAARM
Cc1ccc2nc(N3CCN(C(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-])CC3)nc(-c3ccccc3)c2c1	ZINC000009019600	554867049	/nfs/dbraw/zinc/86/70/49/554867049.db2.gz	VKPOPKZBSRFKMQ-RTWAWAEBSA-N	-1	0	456.546	3.921	50	0		JHAARM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2-n2cccn2)cc1	ZINC000009203222	554973485	/nfs/dbraw/zinc/97/34/85/554973485.db2.gz	HCFAKHOSHHEMFY-UHFFFAOYSA-N	-1	0	450.442	3.819	50	0		JHAARM
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1=O	ZINC000009245017	555020411	/nfs/dbraw/zinc/02/04/11/555020411.db2.gz	AVSBHYZRLLZZDB-QZTJIDSGSA-N	-1	0	493.589	3.783	50	0		JHAARM
O=C(Nc1cccc(Cl)c1)c1ccc2c([O-])c(S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1	ZINC000009429648	555196886	/nfs/dbraw/zinc/19/68/86/555196886.db2.gz	WLYKFZICXUTRCJ-UHFFFAOYSA-N	-1	0	454.891	3.972	50	0		JHAARM
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000009461340	555228873	/nfs/dbraw/zinc/22/88/73/555228873.db2.gz	PMUBZRILYJYQBO-UHFFFAOYSA-N	-1	0	484.917	3.594	50	0		JHAARM
O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1	ZINC000013149244	555352031	/nfs/dbraw/zinc/35/20/31/555352031.db2.gz	OQGDPQLPPGLHDT-JOCHJYFZSA-N	-1	0	489.528	3.655	50	0		JHAARM
CC1(C)Cc2cccc(OCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2O1	ZINC000009572566	555369611	/nfs/dbraw/zinc/36/96/11/555369611.db2.gz	BSSQZDZLMZAZBE-UHFFFAOYSA-N	-1	0	459.549	3.675	50	0		JHAARM
O=C(NC1CCCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1	ZINC000009670136	555386339	/nfs/dbraw/zinc/38/63/39/555386339.db2.gz	LMGOYQLLUBMEBW-UHFFFAOYSA-N	-1	0	463.987	3.650	50	0		JHAARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1F	ZINC000013367219	555389487	/nfs/dbraw/zinc/38/94/87/555389487.db2.gz	ZWKODWQKYQSKPX-UHFFFAOYSA-N	-1	0	484.914	3.779	50	0		JHAARM
Cc1c(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000009588830	555401534	/nfs/dbraw/zinc/40/15/34/555401534.db2.gz	KBTQKIIZSSHMDC-UHFFFAOYSA-N	-1	0	468.560	3.599	50	0		JHAARM
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2cccc3ccccc32)n(-c2ccccc2)c1=O	ZINC000009730525	555466033	/nfs/dbraw/zinc/46/60/33/555466033.db2.gz	XLNXQMVTRHVTOK-UHFFFAOYSA-N	-1	0	460.515	3.781	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)Nc1ccccc1OC(F)F	ZINC000009738535	555470145	/nfs/dbraw/zinc/47/01/45/555470145.db2.gz	PFPHZABKWNIEET-UHFFFAOYSA-N	-1	0	482.486	3.946	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	ZINC000013518951	555485643	/nfs/dbraw/zinc/48/56/43/555485643.db2.gz	RZFQZXGCYVBPPB-CYBMUJFWSA-N	-1	0	476.967	3.589	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1	ZINC000013571994	555510306	/nfs/dbraw/zinc/51/03/06/555510306.db2.gz	YNWCKZDDDXLCFW-MRXNPFEDSA-N	-1	0	466.437	3.933	50	0		JHAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c(C(=O)OC)c1C	ZINC000009794120	555512246	/nfs/dbraw/zinc/51/22/46/555512246.db2.gz	DKBZMKLLKNCPDX-UHFFFAOYSA-N	-1	0	477.564	3.507	50	0		JHAARM
C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(I)cc2)cc1)C(=O)[O-]	ZINC000013579267	555518262	/nfs/dbraw/zinc/51/82/62/555518262.db2.gz	DBENVAYCJQQQBA-BENRWUELSA-N	-1	0	496.326	3.991	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2	ZINC000009828538	555526023	/nfs/dbraw/zinc/52/60/23/555526023.db2.gz	SCFCXUDUXYNWFF-UHFFFAOYSA-N	-1	0	465.940	3.550	50	0		JHAARM
CO[C@@H]1[C@H](OC(=O)/C=C/C=C/C=C/C=C/C(=O)[O-])CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C	ZINC000013816340	555629381	/nfs/dbraw/zinc/62/93/81/555629381.db2.gz	NGGMYCMLYOUNGM-FKSJYSFPSA-N	-1	0	458.551	3.915	50	0	biogenic,in-vitro	JHAARM
O=C(NCCSCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O	ZINC000020102760	555634885	/nfs/dbraw/zinc/63/48/85/555634885.db2.gz	NXUQEYRNVFEDJI-GOSISDBHSA-N	-1	0	455.605	3.527	50	0		JHAARM
O=C(NCc1cccnc1)c1ccc2c(c1)[n-]c(=S)n(Cc1cccc(Br)c1)c2=O	ZINC000020102932	555635193	/nfs/dbraw/zinc/63/51/93/555635193.db2.gz	YGMDJGIHUAMPOU-UHFFFAOYSA-N	-1	0	481.375	3.821	50	0		JHAARM
CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1cc(F)ccc1F	ZINC000010514249	555722203	/nfs/dbraw/zinc/72/22/03/555722203.db2.gz	VNFXBUAXNCZSIR-UHFFFAOYSA-N	-1	0	461.556	3.618	50	0		JHAARM
O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(Cl)s1	ZINC000020533723	555805527	/nfs/dbraw/zinc/80/55/27/555805527.db2.gz	XTDJELRUHXUHOA-UHFFFAOYSA-N	-1	0	454.982	3.954	50	0		JHAARM
CC[C@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3cccc(C)c3C)c2C(=O)OC)C1	ZINC000011783515	555814573	/nfs/dbraw/zinc/81/45/73/555814573.db2.gz	SFBZKIMEPFRBLE-ZDUSSCGKSA-N	-1	0	464.609	3.883	50	0		JHAARM
O=C([C@@H]1COc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)ccc2O1)N1CCCCC1	ZINC000020603030	555844014	/nfs/dbraw/zinc/84/40/14/555844014.db2.gz	LXDHMWDPJCXFGS-IBGZPJMESA-N	-1	0	470.469	3.659	50	0		JHAARM
C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000011867470	555844583	/nfs/dbraw/zinc/84/45/83/555844583.db2.gz	YOXYNZQFGQFACE-HJPURHCSSA-N	-1	0	473.481	3.745	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)C2CCC(Cn3c(=O)c4ccccc4[n-]c3=S)CC2)CC1	ZINC000020644511	555846530	/nfs/dbraw/zinc/84/65/30/555846530.db2.gz	YEJSXZGHWVNREJ-UHFFFAOYSA-N	-1	0	457.596	3.667	50	0		JHAARM
COc1cc2ncn(-c3cc(OCc4ccc(S(C)(=O)=O)cc4)c(C(=O)[O-])s3)c2cc1OC	ZINC000011906989	555854872	/nfs/dbraw/zinc/85/48/72/555854872.db2.gz	HWTMFARHEOBAAW-UHFFFAOYSA-N	-1	0	488.543	3.785	50	0		JHAARM
COc1cc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc(OC)c1	ZINC000021931703	555857273	/nfs/dbraw/zinc/85/72/73/555857273.db2.gz	IHJCIKIMBZXBED-UHFFFAOYSA-N	-1	0	492.351	3.914	50	0		JHAARM
COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)ccc1OCC(N)=O	ZINC000015082319	555873289	/nfs/dbraw/zinc/87/32/89/555873289.db2.gz	LKDAWBGGJMYHIW-AWEZNQCLSA-N	-1	0	470.478	3.599	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)c(F)c1)CN(C(=O)C1=CCCC1)CC2	ZINC000012149049	555920977	/nfs/dbraw/zinc/92/09/77/555920977.db2.gz	IVUWRSKMFPGIOY-UHFFFAOYSA-N	-1	0	482.530	3.609	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)ccc1C	ZINC000022666183	555941907	/nfs/dbraw/zinc/94/19/07/555941907.db2.gz	FRGBZKHFLLIJRN-UHFFFAOYSA-N	-1	0	468.531	3.805	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(Cl)cc3Cl)N3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000022853818	555960581	/nfs/dbraw/zinc/96/05/81/555960581.db2.gz	VOJPXYXGGBCQMX-HNNXBMFYSA-N	-1	0	454.383	3.652	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)cc1	ZINC000022879217	555963273	/nfs/dbraw/zinc/96/32/73/555963273.db2.gz	UVOQFADKERGYNC-UHFFFAOYSA-N	-1	0	470.938	3.727	50	0		JHAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccc(F)cc3)CC2)cc1	ZINC000023157315	556025791	/nfs/dbraw/zinc/02/57/91/556025791.db2.gz	GVDSWHOYJWTSLQ-HXUWFJFHSA-N	-1	0	453.543	3.864	50	0		JHAARM
C[C@@H]1C[C@@H]1C(=O)NCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000023188365	556029781	/nfs/dbraw/zinc/02/97/81/556029781.db2.gz	URMYENAACBXCMH-RISCZKNCSA-N	-1	0	456.351	3.505	50	0		JHAARM
COc1ccc(C)cc1NC(=O)c1ccc2c(c1)[nH]c(=O)c(S(=O)(=O)c1ccccc1)c2[O-]	ZINC000015934812	556072517	/nfs/dbraw/zinc/07/25/17/556072517.db2.gz	JWMGIVIKNRKFLA-UHFFFAOYSA-N	-1	0	464.499	3.636	50	0		JHAARM
O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(F)c2ncccc12	ZINC000024579088	556137131	/nfs/dbraw/zinc/13/71/31/556137131.db2.gz	QWLGVKBAVXTOFR-UHFFFAOYSA-N	-1	0	463.556	3.739	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)Nc3ccc4c(c3)OCCO4)cs2)cc1	ZINC000016848624	556169890	/nfs/dbraw/zinc/16/98/90/556169890.db2.gz	QJZOKGWFQWFLMZ-UHFFFAOYSA-N	-1	0	459.549	3.595	50	0		JHAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NC3CCCCC3)cc1)c2=O	ZINC000016942392	556181354	/nfs/dbraw/zinc/18/13/54/556181354.db2.gz	KZXIYRAPPKUXAP-UHFFFAOYSA-N	-1	0	451.548	3.956	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c1	ZINC000016944944	556182857	/nfs/dbraw/zinc/18/28/57/556182857.db2.gz	DTHOBZYGYPWWBY-UHFFFAOYSA-N	-1	0	494.616	3.708	50	0		JHAARM
COCCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccc(Br)cc1	ZINC000013075576	556277085	/nfs/dbraw/zinc/27/70/85/556277085.db2.gz	SXLDNVUWFVUBMB-LJQANCHMSA-N	-1	0	489.322	3.882	50	0		JHAARM
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1	ZINC000013117735	556328885	/nfs/dbraw/zinc/32/88/85/556328885.db2.gz	GKASBJADDCOVSK-UHFFFAOYSA-N	-1	0	482.514	3.624	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)[nH]n2)cc1	ZINC000032951075	556566662	/nfs/dbraw/zinc/56/66/62/556566662.db2.gz	HZZVNGHMHJJHDV-UHFFFAOYSA-N	-1	0	450.904	3.524	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)[nH]n2)cc1	ZINC000032951057	556566688	/nfs/dbraw/zinc/56/66/88/556566688.db2.gz	UQWRFCIPCNCAAB-UHFFFAOYSA-N	-1	0	454.430	3.880	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000032961613	556578094	/nfs/dbraw/zinc/57/80/94/556578094.db2.gz	FHOCYNOWYLZKAY-UHFFFAOYSA-N	-1	0	475.567	3.588	50	0		JHAARM
Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(C(=O)[O-])c1	ZINC000032961706	556578739	/nfs/dbraw/zinc/57/87/39/556578739.db2.gz	UCTULWJKXWHCMW-UHFFFAOYSA-N	-1	0	483.565	3.955	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C)cc2)CC1	ZINC000032961921	556579792	/nfs/dbraw/zinc/57/97/92/556579792.db2.gz	AUCFWDSNUBCRSC-UHFFFAOYSA-N	-1	0	481.574	3.829	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(c3ccccn3)CC2)cc1C	ZINC000032961895	556579813	/nfs/dbraw/zinc/57/98/13/556579813.db2.gz	ASFPOVZKSFEXFF-UHFFFAOYSA-N	-1	0	480.590	3.832	50	0		JHAARM
O=C([O-])c1cc(N2CCN(c3ccccc3F)CC2)ccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000033006883	569615033	/nfs/dbraw/zinc/61/50/33/569615033.db2.gz	STPPWBWSYCWGNH-UHFFFAOYSA-N	-1	0	473.501	3.790	50	0		JHAARM
COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(F)cc2)cc1	ZINC000064557786	569618303	/nfs/dbraw/zinc/61/83/03/569618303.db2.gz	GMQHNMKQVGRABU-HXUWFJFHSA-N	-1	0	467.474	3.944	50	0		JHAARM
COc1cccc(S(=O)(=O)[N-]c2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)c1	ZINC000064580869	569620681	/nfs/dbraw/zinc/62/06/81/569620681.db2.gz	LGNQHXWRINIZSQ-UHFFFAOYSA-N	-1	0	455.561	3.838	50	0		JHAARM
COc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cc1OCC(N)=O	ZINC000064797797	569630450	/nfs/dbraw/zinc/63/04/50/569630450.db2.gz	CWNWTQTZIWBPIF-CQSZACIVSA-N	-1	0	470.478	3.599	50	0		JHAARM
O=C([O-])c1ccc(N2CCCN(c3ccc(Cl)nn3)CC2)c(NC(=O)c2cccs2)c1	ZINC000064820588	569636139	/nfs/dbraw/zinc/63/61/39/569636139.db2.gz	FEGSDZPDKKNXDA-UHFFFAOYSA-N	-1	0	457.943	3.859	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCN(c3ccc(Cl)nn3)CC2)cc1	ZINC000064820694	569636184	/nfs/dbraw/zinc/63/61/84/569636184.db2.gz	XQDKISXUMAYMFV-UHFFFAOYSA-N	-1	0	481.940	3.806	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)N(Cc2noc(C4CC4)n2)C(=O)CO3)cc1C	ZINC000065022542	569649223	/nfs/dbraw/zinc/64/92/23/569649223.db2.gz	BSEHHOROTHOMFY-UHFFFAOYSA-N	-1	0	488.953	3.944	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CCC3)n1)C(=O)CO2	ZINC000065022892	569649694	/nfs/dbraw/zinc/64/96/94/569649694.db2.gz	WFZPWMWGGCRGBG-UHFFFAOYSA-N	-1	0	498.561	3.771	50	0		JHAARM
CCCCOc1ccc(-c2nnc(CCC(=O)NCc3ccc(F)cc3)c(=O)[n-]2)cc1OC	ZINC000034766801	569658544	/nfs/dbraw/zinc/65/85/44/569658544.db2.gz	HNURYWZQUFBYOW-UHFFFAOYSA-N	-1	0	454.502	3.820	50	0		JHAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3c(CC)noc3NC(C)=O)ccc2OC)c1	ZINC000065116122	569666189	/nfs/dbraw/zinc/66/61/89/569666189.db2.gz	VSALCGQEPQBFBG-UHFFFAOYSA-N	-1	0	487.534	3.849	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])C1	ZINC000035397316	569688044	/nfs/dbraw/zinc/68/80/44/569688044.db2.gz	IOLMSBNTLRXPLS-INIZCTEOSA-N	-1	0	489.594	3.658	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(=O)[O-]	ZINC000035397760	569688203	/nfs/dbraw/zinc/68/82/03/569688203.db2.gz	AMWOHYFRISHQPS-UHFFFAOYSA-N	-1	0	499.637	3.925	50	0		JHAARM
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cnc1N1CCC[C@H](C[NH+]2CCCC2)C1	ZINC000035397830	569688457	/nfs/dbraw/zinc/68/84/57/569688457.db2.gz	ZXCRYMVKEBJLAQ-CQSZACIVSA-N	-1	0	485.031	3.608	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2c(C)c(-c3ccc(Cl)cc3)nn21	ZINC000035684920	569706773	/nfs/dbraw/zinc/70/67/73/569706773.db2.gz	SPRRLQPPPMODKV-INIZCTEOSA-N	-1	0	454.870	3.741	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1cc(C)ccc1C	ZINC000085652120	569713987	/nfs/dbraw/zinc/71/39/87/569713987.db2.gz	XJCNPJIATSPFAH-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000085652123	569713992	/nfs/dbraw/zinc/71/39/92/569713992.db2.gz	JBJXVSMUXPQVGP-UHFFFAOYSA-N	-1	0	480.546	3.931	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)n(-c4c(C)noc4C)n3)ccc2OC)c1	ZINC000085652143	569714268	/nfs/dbraw/zinc/71/42/68/569714268.db2.gz	FRMXYUGFSYOJHC-UHFFFAOYSA-N	-1	0	480.546	3.876	50	0		JHAARM
CN1CCN(C(=O)C[C@@H](c2ccco2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096113842	569732842	/nfs/dbraw/zinc/73/28/42/569732842.db2.gz	XSNPSHZSXOSYGK-SFHVURJKSA-N	-1	0	474.513	3.760	50	0	biogenic	JHAARM
O=C(C[C@@H](c1ccncc1)c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21)N1CCOCC1	ZINC000096115194	569734345	/nfs/dbraw/zinc/73/43/45/569734345.db2.gz	RLYAVTMMLJUKTQ-IBGZPJMESA-N	-1	0	472.497	3.647	50	0	biogenic	JHAARM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C1=C(N2CCN(CC)CC2)C(=O)N(c2ccc(C)cc2)C1=O	ZINC000035960742	569736667	/nfs/dbraw/zinc/73/66/67/569736667.db2.gz	GLNRYNWBYADMSQ-UHFFFAOYSA-N	-1	0	499.615	3.761	50	0		JHAARM
O=C(CCc1nc2cc(Cl)ccc2[nH]1)N1CCc2c(=O)n3[n-]c(-c4ccccc4)cc3nc2C1	ZINC000097161325	569744701	/nfs/dbraw/zinc/74/47/01/569744701.db2.gz	NVGVKOBTEPSINM-UHFFFAOYSA-N	-1	0	472.936	3.737	50	0		JHAARM
CCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CCC)c1=O	ZINC000100551422	569764254	/nfs/dbraw/zinc/76/42/54/569764254.db2.gz	OFAPWVHVBQOQCD-UHFFFAOYSA-N	-1	0	460.534	3.944	50	0		JHAARM
O=C([O-])c1ccc2c([C@H](C(=O)[O-])[N@@H+]3CCCN(c4ncccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036355055	569771757	/nfs/dbraw/zinc/77/17/57/569771757.db2.gz	RKEOZXLPFHMUMW-XMMPIXPASA-N	-1	0	485.544	3.516	50	0		JHAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc21	ZINC000036366999	569772954	/nfs/dbraw/zinc/77/29/54/569772954.db2.gz	BONYXCABKCLINY-PTGVWUEVSA-N	-1	0	467.953	3.836	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C(C)C)cc5)c(=O)c3=4)n2)cc1OC	ZINC000101261193	569788262	/nfs/dbraw/zinc/78/82/62/569788262.db2.gz	DBSAAIVQVSYOJV-FCHUYYIVSA-N	-1	0	490.520	3.761	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(Cl)cc1Cl	ZINC000101416184	569797410	/nfs/dbraw/zinc/79/74/10/569797410.db2.gz	YQNJSJQRCNIVPY-HOTGVXAUSA-N	-1	0	452.685	3.579	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2OC)c1	ZINC000101628983	569802071	/nfs/dbraw/zinc/80/20/71/569802071.db2.gz	IKWXWMXIQBPTAT-BGYRXZFFSA-N	-1	0	456.564	3.734	50	0		JHAARM
Cc1cc(C)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n[nH]2)c(O)c1	ZINC000038703998	569806201	/nfs/dbraw/zinc/80/62/01/569806201.db2.gz	OOBVWCHHHJDOOP-UHFFFAOYSA-N	-1	0	492.561	3.859	50	0		JHAARM
CCOc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(C)c(Cl)c5)c(=O)c3=4)n2)cc1OC	ZINC000101893382	569807586	/nfs/dbraw/zinc/80/75/86/569807586.db2.gz	OSKCRQXTSWXGFY-VQTJNVASSA-N	-1	0	496.911	3.599	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1	ZINC000101893724	569807689	/nfs/dbraw/zinc/80/76/89/569807689.db2.gz	OTMMIIAGKOSPOF-ZWKOTPCHSA-N	-1	0	481.310	3.555	50	0		JHAARM
Cc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O	ZINC000102000143	569808819	/nfs/dbraw/zinc/80/88/19/569808819.db2.gz	LLRQKHLSKMWKDV-DMDYGQEQSA-N	-1	0	492.539	3.666	50	0		JHAARM
COCCCn1c(=O)c2ccc(C(=O)N(Cc3nnc(-c4ccccc4)o3)C(C)C)cc2[n-]c1=S	ZINC000039995541	569813375	/nfs/dbraw/zinc/81/33/75/569813375.db2.gz	ZGONCUIKJMMIKD-UHFFFAOYSA-N	-1	0	493.589	3.823	50	0		JHAARM
COc1cccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)c(C)o2)c1OC	ZINC000102479148	569813514	/nfs/dbraw/zinc/81/35/14/569813514.db2.gz	MJMQDPCFWIEHRG-OALUTQOASA-N	-1	0	481.896	3.814	50	0		JHAARM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCN(Cc2ccco2)CC1	ZINC000039997037	569813549	/nfs/dbraw/zinc/81/35/49/569813549.db2.gz	CDYJSJCEDWQBER-UHFFFAOYSA-N	-1	0	463.563	3.654	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc21	ZINC000040450387	569828322	/nfs/dbraw/zinc/82/83/22/569828322.db2.gz	MOMPYQXTRHLMSN-UHFFFAOYSA-N	-1	0	453.358	3.866	50	0		JHAARM
CC(=O)[C@@H]1[C@H](C(=O)c2ccccn2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21	ZINC000245311119	570063401	/nfs/dbraw/zinc/06/34/01/570063401.db2.gz	MNWPLQCHKQSOJI-UDFVPUEDSA-N	-1	0	453.473	3.783	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4C[C@H](C)C[C@@H](C)[C@H]43)C2=O)cc1	ZINC000248134827	570075217	/nfs/dbraw/zinc/07/52/17/570075217.db2.gz	MHYIXUUGVOGOGQ-DZEKCKGXSA-N	-1	0	451.498	3.511	50	0		JHAARM
COc1ccc([C@@H](CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)cc1O	ZINC000253471616	570099512	/nfs/dbraw/zinc/09/95/12/570099512.db2.gz	VYWYLCOXWUBTCX-MRXNPFEDSA-N	-1	0	485.489	3.555	50	0		JHAARM
COc1cc([C@@H](CC(=O)Nc2ccc3c(c2)OCO3)c2c([O-])cc(C)oc2=O)cc(OC)c1OC	ZINC000253471728	570099603	/nfs/dbraw/zinc/09/96/03/570099603.db2.gz	YEUKOLGWZMHNRO-MRXNPFEDSA-N	-1	0	483.473	3.569	50	0		JHAARM
CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](CC(C)C)C(=O)[O-]	ZINC000253488149	570100006	/nfs/dbraw/zinc/10/00/06/570100006.db2.gz	YDBSSKJJBVKTAB-RKOGWWSCSA-N	-1	0	460.575	3.859	50	0		JHAARM
Cn1nc(-c2ccc(S(=O)(=O)[N-]c3ccccc3N3CCOCC3)s2)cc1C(F)(F)F	ZINC000001033568	194006618	/nfs/dbraw/zinc/00/66/18/194006618.db2.gz	XRLPVGNGJFGDKB-UHFFFAOYSA-N	-1	0	472.514	3.805	50	0		JHAARM
O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001131942	194039890	/nfs/dbraw/zinc/03/98/90/194039890.db2.gz	CWSLSXKXNPVYDH-UHFFFAOYSA-N	-1	0	464.528	3.696	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2)n1	ZINC000001141362	194044846	/nfs/dbraw/zinc/04/48/46/194044846.db2.gz	BKTXUPZSPPEVHJ-UHFFFAOYSA-N	-1	0	460.581	3.585	50	0		JHAARM
CC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)ccc2C)c1	ZINC000001196972	194067695	/nfs/dbraw/zinc/06/76/95/194067695.db2.gz	VHYVSELSLMBVGA-UHFFFAOYSA-N	-1	0	452.488	3.949	50	0		JHAARM
COc1cccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)c3ccccc3n2)c1	ZINC000001200765	194068645	/nfs/dbraw/zinc/06/86/45/194068645.db2.gz	VEKFARYKXIPSBY-UHFFFAOYSA-N	-1	0	475.526	3.988	50	0		JHAARM
Nc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[n-]c(=O)c1NC(=O)c1ccco1	ZINC000002712529	194164724	/nfs/dbraw/zinc/16/47/24/194164724.db2.gz	GHOOMJYTXLTZBD-UHFFFAOYSA-N	-1	0	487.847	3.600	50	0		JHAARM
O=C(NC[C@H]1CCCO1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1	ZINC000002973702	194190213	/nfs/dbraw/zinc/19/02/13/194190213.db2.gz	QJKTXGIGMPAPAE-MRXNPFEDSA-N	-1	0	474.380	3.779	50	0		JHAARM
CCOC(=O)c1sc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3OC)c2)nc1C	ZINC000003214811	194240381	/nfs/dbraw/zinc/24/03/81/194240381.db2.gz	SXMNPIXJDRBTAY-UHFFFAOYSA-N	-1	0	489.575	3.998	50	0		JHAARM
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4cc(C)on4)cc3)cc2)n1	ZINC000003256867	194253623	/nfs/dbraw/zinc/25/36/23/194253623.db2.gz	JTVSDYQIEJGLQB-UHFFFAOYSA-N	-1	0	451.508	3.839	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)NC1(C(F)(F)F)Oc2ccccc2O1	ZINC000003647755	194348869	/nfs/dbraw/zinc/34/88/69/194348869.db2.gz	JOZSBUYNVKXOIM-UHFFFAOYSA-N	-1	0	480.424	3.691	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C)C2=O	ZINC000003957634	194367335	/nfs/dbraw/zinc/36/73/35/194367335.db2.gz	OBPGELYTFSMDSQ-NHCUHLMSSA-N	-1	0	459.495	3.505	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@H](C(=O)[O-])[C@H](c1cc(Br)c(O)c(OC)c1)N(C)C2=O	ZINC000004100656	194377666	/nfs/dbraw/zinc/37/76/66/194377666.db2.gz	ODIQHYXIRGUGSQ-OALUTQOASA-N	-1	0	494.338	3.956	50	0		JHAARM
Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(C)C)c1	ZINC000004520830	194391602	/nfs/dbraw/zinc/39/16/02/194391602.db2.gz	YHFIRAATFALRMO-IBGZPJMESA-N	-1	0	472.592	3.645	50	0		JHAARM
CCOC(=O)[C@]1(C)C=C(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)N1c1ccccc1	ZINC000004647334	194393153	/nfs/dbraw/zinc/39/31/53/194393153.db2.gz	KRVKGOYWYZQPIV-QHCPKHFHSA-N	-1	0	498.586	3.608	50	0		JHAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000008438899	194447434	/nfs/dbraw/zinc/44/74/34/194447434.db2.gz	REHYJHGSLSCELU-UXHICEINSA-N	-1	0	453.514	3.618	50	0		JHAARM
C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)C1=O	ZINC000008987128	194495881	/nfs/dbraw/zinc/49/58/81/194495881.db2.gz	KPNXTPPYIZWTMF-MHZLTWQESA-N	-1	0	480.528	3.522	50	0		JHAARM
CNC(=O)c1c2c(sc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1)CCC2	ZINC000020604812	195180490	/nfs/dbraw/zinc/18/04/90/195180490.db2.gz	YOVGKBDKBIZGKI-UHFFFAOYSA-N	-1	0	469.588	3.958	50	0		JHAARM
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C)c3C)[n-]c2=O)cc1Cl	ZINC000020860982	195233175	/nfs/dbraw/zinc/23/31/75/195233175.db2.gz	VLLUXHQBCMWHAO-UHFFFAOYSA-N	-1	0	493.994	3.612	50	0		JHAARM
CCN(C(C)=O)c1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Cl)[n-]c1=O	ZINC000021157500	195285300	/nfs/dbraw/zinc/28/53/00/195285300.db2.gz	NTYTWJPWULRIJA-UHFFFAOYSA-N	-1	0	457.943	3.589	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCC2)cc1	ZINC000021898579	195328829	/nfs/dbraw/zinc/32/88/29/195328829.db2.gz	WHQLKCHEXILJKT-UHFFFAOYSA-N	-1	0	453.358	3.885	50	0		JHAARM
COc1ccc(NC(=O)c2cncc([N-]S(=O)(=O)c3ccc(Br)cc3)c2)cc1	ZINC000021931687	195335347	/nfs/dbraw/zinc/33/53/47/195335347.db2.gz	CYADUYJLGYVDDR-UHFFFAOYSA-N	-1	0	462.325	3.906	50	0		JHAARM
O=C(c1sccc1S(=O)(=O)[N-]c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1	ZINC000058232108	195374739	/nfs/dbraw/zinc/37/47/39/195374739.db2.gz	DVXGKFJGPGBKKW-UHFFFAOYSA-N	-1	0	463.531	3.790	50	0		JHAARM
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)OCc1ccc(CC(=O)[O-])cc1	ZINC000008637052	518836053	/nfs/dbraw/zinc/83/60/53/518836053.db2.gz	UVVJDABIVPYFQB-IBGZPJMESA-N	-1	0	463.527	3.516	50	0		JHAARM
CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)s1	ZINC000033306468	519702292	/nfs/dbraw/zinc/70/22/92/519702292.db2.gz	PDLRZPUQRQKQAX-CSKARUKUSA-N	-1	0	460.537	3.933	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000002120807	520489058	/nfs/dbraw/zinc/48/90/58/520489058.db2.gz	OTMULPYJGARLGK-CVGPFBNFSA-N	-1	0	490.581	3.620	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)[n-]c1=O	ZINC000045900348	521228469	/nfs/dbraw/zinc/22/84/69/521228469.db2.gz	XZHSTCOXKCGOLU-IBGZPJMESA-N	-1	0	479.562	3.892	50	0		JHAARM
CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4ccc(F)cc4F)ccc3n2C)cc1	ZINC000033277010	521796403	/nfs/dbraw/zinc/79/64/03/521796403.db2.gz	LVAMEJGQUSBWQW-UHFFFAOYSA-N	-1	0	456.474	3.679	50	0		JHAARM
COC(=O)c1cc2nc(Cc3ccccc3)oc2c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000012417767	521923684	/nfs/dbraw/zinc/92/36/84/521923684.db2.gz	DBIHYEVIEBLXLU-UHFFFAOYSA-N	-1	0	480.498	3.777	50	0		JHAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(-c2nnc(-c3ccccc3)o2)ccc1OC	ZINC000064988102	522285502	/nfs/dbraw/zinc/28/55/02/522285502.db2.gz	OMJICYQXBBWPGE-UHFFFAOYSA-N	-1	0	465.487	4.000	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(C)c3C)c1)NC(=O)CCC2=O	ZINC000033276716	522706074	/nfs/dbraw/zinc/70/60/74/522706074.db2.gz	FADGGYJNJBOWEF-UHFFFAOYSA-N	-1	0	482.562	3.911	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000033123208	523077273	/nfs/dbraw/zinc/07/72/73/523077273.db2.gz	CLTIHKKXQXMKPH-UHFFFAOYSA-N	-1	0	468.535	3.657	50	0		JHAARM
COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O	ZINC000016213758	523171149	/nfs/dbraw/zinc/17/11/49/523171149.db2.gz	OPTBLNTXYPEIAL-RQZCQDPDSA-N	-1	0	461.879	3.827	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ccc(NS(=O)(=O)c3ccccc3)cc2C(=O)[O-])c1C	ZINC000033253781	523632186	/nfs/dbraw/zinc/63/21/86/523632186.db2.gz	OLHIHSHCWIDMQB-UHFFFAOYSA-N	-1	0	456.568	3.698	50	0		JHAARM
CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(C)nc4C(=O)[O-])cc3n2)s1	ZINC000002806571	523852685	/nfs/dbraw/zinc/85/26/85/523852685.db2.gz	XRISSMGZPXWSAS-UHFFFAOYSA-N	-1	0	464.429	3.723	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(/C=C/c3onc(C)c3NC(C)=O)s2)c1	ZINC000033306433	524870190	/nfs/dbraw/zinc/87/01/90/524870190.db2.gz	CMIXYFPGTJCESK-RMKNXTFCSA-N	-1	0	463.537	3.991	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253083	525083719	/nfs/dbraw/zinc/08/37/19/525083719.db2.gz	MGUSIJUCLNQLJK-UHFFFAOYSA-N	-1	0	467.547	3.521	50	0		JHAARM
CS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nnc(SCc3ccc(Cl)cc3)s2)n1	ZINC000016751815	525283953	/nfs/dbraw/zinc/28/39/53/525283953.db2.gz	LVJODPKPQNSFFK-UHFFFAOYSA-N	-1	0	476.392	3.583	50	0		JHAARM
Cc1cc(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c2c3c(c(=O)oc2c1)CCC3	ZINC000002118845	525378950	/nfs/dbraw/zinc/37/89/50/525378950.db2.gz	DDVBTUDDYVURFL-BTYIYWSLSA-N	-1	0	474.513	3.651	50	0	biogenic	JHAARM
COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC	ZINC000008879581	525442467	/nfs/dbraw/zinc/44/24/67/525442467.db2.gz	GJUCISJFNWSZTI-CYFREDJKSA-N	-1	0	486.565	3.877	50	0	biogenic	JHAARM
Cc1ccc(C(=O)[N-]C(=O)OCCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	ZINC000012447616	526143595	/nfs/dbraw/zinc/14/35/95/526143595.db2.gz	ZXZQIOUBMKFKTA-UHFFFAOYSA-N	-1	0	470.879	3.751	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000033078803	526351003	/nfs/dbraw/zinc/35/10/03/526351003.db2.gz	VENDTAMKTFFCHV-UHFFFAOYSA-N	-1	0	476.508	3.537	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(Cc2cccc(F)c2)CC1	ZINC000033253217	526352560	/nfs/dbraw/zinc/35/25/60/526352560.db2.gz	GDHPPKOVXSXRET-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
O=C([O-])c1cccc(-n2cccc2/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1	ZINC000012466956	526387390	/nfs/dbraw/zinc/38/73/90/526387390.db2.gz	BFVMTBOPAXURLB-UNOMPAQXSA-N	-1	0	465.462	3.990	50	0		JHAARM
O=S(=O)([N-]c1ccccc1-n1cncn1)c1cc(Br)ccc1Br	ZINC000012520859	527255925	/nfs/dbraw/zinc/25/59/25/527255925.db2.gz	UWNDNQCSXULPMA-UHFFFAOYSA-N	-1	0	458.135	3.593	50	0		JHAARM
O=C([O-])[C@@H]1C2C[C@H]3C[C@@H](C2)CC1(n1ncc(N2CCN(c4ccccc4F)CC2)c(Cl)c1=O)C3	ZINC000016450309	527658098	/nfs/dbraw/zinc/65/80/98/527658098.db2.gz	VMXGSZGGSSCHHS-LGHASZRESA-N	-1	0	486.975	3.598	50	0		JHAARM
COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1C	ZINC000000633970	553719858	/nfs/dbraw/zinc/71/98/58/553719858.db2.gz	WMWQLWCXQBWUFT-UHFFFAOYSA-N	-1	0	454.552	3.736	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@@H]1c1cccs1	ZINC000000707523	553764423	/nfs/dbraw/zinc/76/44/23/553764423.db2.gz	ZFSSEWGJMYXACM-XYMPBJBSSA-N	-1	0	495.409	3.872	50	0		JHAARM
COc1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)[O-])c2)cc(OC)c1OC	ZINC000002126614	554058546	/nfs/dbraw/zinc/05/85/46/554058546.db2.gz	QVURXSOVOVKHMU-UHFFFAOYSA-N	-1	0	450.447	3.915	50	0	biogenic	JHAARM
CCCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002134756	554061434	/nfs/dbraw/zinc/06/14/34/554061434.db2.gz	QKQANAPOAKDCJR-CMJOXMDJSA-N	-1	0	492.528	3.902	50	0	biogenic	JHAARM
CC(C)OCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000002407452	554189823	/nfs/dbraw/zinc/18/98/23/554189823.db2.gz	KJJNMSRZINRAAC-UHFFFAOYSA-N	-1	0	458.569	3.662	50	0		JHAARM
O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccc2c(c1)OCO2)c1cccc2nsnc21	ZINC000002412067	554192714	/nfs/dbraw/zinc/19/27/14/554192714.db2.gz	BFXWEYIYEIQYAA-UHFFFAOYSA-N	-1	0	478.515	3.908	50	0		JHAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1nn(Cc2ccc(Cl)cc2Cl)cc1Br	ZINC000002804751	554355571	/nfs/dbraw/zinc/35/55/71/554355571.db2.gz	OPXNXWFBXWEIKA-UHFFFAOYSA-N	-1	0	479.187	3.843	50	0		JHAARM
O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cn2c(=S)[n-]c3cc4c(cc3c2=O)OCO4)cc1	ZINC000002975437	554415790	/nfs/dbraw/zinc/41/57/90/554415790.db2.gz	IRGSPPYVEVJNHJ-UHFFFAOYSA-N	-1	0	498.564	3.916	50	0		JHAARM
O=C(c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O)N1CCC2(CC1)OCCO2	ZINC000003051855	554424341	/nfs/dbraw/zinc/42/43/41/554424341.db2.gz	OSMZNRBPYRGIHN-UHFFFAOYSA-N	-1	0	455.580	3.555	50	0		JHAARM
Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)CCCCC3	ZINC000006348537	554531966	/nfs/dbraw/zinc/53/19/66/554531966.db2.gz	NFYHGWBXSUEGRQ-UHFFFAOYSA-N	-1	0	494.602	3.991	50	0		JHAARM
CCC[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-]	ZINC000006469167	554543273	/nfs/dbraw/zinc/54/32/73/554543273.db2.gz	IOJVBPJQXGHOAL-DYGKOUCMSA-N	-1	0	459.340	3.898	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1	ZINC000008778927	554675672	/nfs/dbraw/zinc/67/56/72/554675672.db2.gz	BFZRCFJKQIWQPD-UHFFFAOYSA-N	-1	0	476.967	3.976	50	0		JHAARM
CCCc1cc(=O)oc2c3c(cc(OCC(=O)N4CCC(C(=O)[O-])CC4)c12)OC(C)(C)CC3	ZINC000008876965	554772281	/nfs/dbraw/zinc/77/22/81/554772281.db2.gz	SRHPHPOXNFDHHR-UHFFFAOYSA-N	-1	0	457.523	3.551	50	0	biogenic	JHAARM
Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](CC(=O)[O-])c1ccc(OCC(C)C)cc1	ZINC000008878186	554773802	/nfs/dbraw/zinc/77/38/02/554773802.db2.gz	LQUXBZKJHUBSTD-OAQYLSRUSA-N	-1	0	453.491	3.717	50	0	biogenic	JHAARM
Cc1ccc2nc(N3CCN(C(=O)[C@@H]4CC=CC[C@H]4C(=O)[O-])CC3)nc(-c3ccccc3)c2c1	ZINC000009019602	554866949	/nfs/dbraw/zinc/86/69/49/554866949.db2.gz	VKPOPKZBSRFKMQ-NHCUHLMSSA-N	-1	0	456.546	3.921	50	0		JHAARM
CCCS(=O)(=O)Nc1ccc(N2CCCCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1	ZINC000009120618	554913690	/nfs/dbraw/zinc/91/36/90/554913690.db2.gz	IMQWZNFAFGKPOT-UHFFFAOYSA-N	-1	0	467.613	3.638	50	0		JHAARM
COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009220086	554988942	/nfs/dbraw/zinc/98/89/42/554988942.db2.gz	IZTWNOVXWSHYPW-UHFFFAOYSA-N	-1	0	472.494	3.588	50	0		JHAARM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(=O)[O-])C2=O)cc1Cl	ZINC000009233550	555006410	/nfs/dbraw/zinc/00/64/10/555006410.db2.gz	SORXYYDTXHRGDK-CAOOACKPSA-N	-1	0	460.895	3.787	50	0		JHAARM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)C1=O	ZINC000009323394	555096574	/nfs/dbraw/zinc/09/65/74/555096574.db2.gz	AEYZLJFVCQFXSX-MDBUFAAASA-N	-1	0	471.487	3.570	50	0		JHAARM
O=C(CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ccccc2)CC1	ZINC000009434338	555205383	/nfs/dbraw/zinc/20/53/83/555205383.db2.gz	YVLAYYMJGPAEQA-UHFFFAOYSA-N	-1	0	480.590	3.697	50	0		JHAARM
COc1ccccc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1	ZINC000009467920	555246137	/nfs/dbraw/zinc/24/61/37/555246137.db2.gz	VSSBVNOBXZNYAL-UHFFFAOYSA-N	-1	0	465.531	3.875	50	0		JHAARM
COc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c(OC)c1	ZINC000009511920	555301084	/nfs/dbraw/zinc/30/10/84/555301084.db2.gz	XQWVYPXNRHDKHN-CQSZACIVSA-N	-1	0	475.544	3.994	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1	ZINC000009511936	555301327	/nfs/dbraw/zinc/30/13/27/555301327.db2.gz	RKZXKZDUFWNPIO-UHFFFAOYSA-N	-1	0	462.325	3.906	50	0		JHAARM
CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)nn1	ZINC000009650641	555362163	/nfs/dbraw/zinc/36/21/63/555362163.db2.gz	MTKMBAKYGVLRAH-UHFFFAOYSA-N	-1	0	471.482	3.757	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1c(F)cccc1F	ZINC000009588201	555400398	/nfs/dbraw/zinc/40/03/98/555400398.db2.gz	IDTQKSMUJNEFJX-UHFFFAOYSA-N	-1	0	464.421	3.700	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1	ZINC000009680239	555407840	/nfs/dbraw/zinc/40/78/40/555407840.db2.gz	DKJKQDPTBVVURK-UHFFFAOYSA-N	-1	0	490.545	3.737	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)nc2c(c3SCC(=O)[O-])CCCC2)CC1	ZINC000009611663	555444062	/nfs/dbraw/zinc/44/40/62/555444062.db2.gz	WVARNPYJEWQMCJ-UHFFFAOYSA-N	-1	0	456.564	3.706	50	0		JHAARM
COc1ccccc1CNC(=O)c1c([O-])c2cc(Br)cc(Br)c2[nH]c1=O	ZINC000013557287	555494264	/nfs/dbraw/zinc/49/42/64/555494264.db2.gz	HJKWLYSCIKSROM-UHFFFAOYSA-N	-1	0	482.128	3.697	50	0		JHAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2	ZINC000009818823	555522736	/nfs/dbraw/zinc/52/27/36/555522736.db2.gz	BEGABTZOXKWPGW-UHFFFAOYSA-N	-1	0	451.913	3.507	50	0		JHAARM
COc1ccc(OC)c(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)c1	ZINC000009828537	555526183	/nfs/dbraw/zinc/52/61/83/555526183.db2.gz	ASVOIIHOIIVYJH-UHFFFAOYSA-N	-1	0	467.956	3.796	50	0		JHAARM
COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)N[C@@H](CCSC)C(=O)[O-])CC2	ZINC000013609172	555532530	/nfs/dbraw/zinc/53/25/30/555532530.db2.gz	LFPYLMHPWKBJRP-RXVVDRJESA-N	-1	0	462.543	3.706	50	0		JHAARM
COc1cc(C(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc(OC)c1OC	ZINC000009969968	555567220	/nfs/dbraw/zinc/56/72/20/555567220.db2.gz	JXRFXWVYEJMBHR-UHFFFAOYSA-N	-1	0	450.447	3.915	50	0		JHAARM
C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccc(-n2cncn2)cc1	ZINC000010055088	555607924	/nfs/dbraw/zinc/60/79/24/555607924.db2.gz	GTILXEZYUIHQFD-OAHLLOKOSA-N	-1	0	453.549	3.621	50	0		JHAARM
O=C(NCCSCc1ccccc1)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O	ZINC000020102757	555634999	/nfs/dbraw/zinc/63/49/99/555634999.db2.gz	NXUQEYRNVFEDJI-SFHVURJKSA-N	-1	0	455.605	3.527	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[n-]c2=O)cc1C	ZINC000020355874	555784940	/nfs/dbraw/zinc/78/49/40/555784940.db2.gz	WFDPHTLILGIOEB-UHFFFAOYSA-N	-1	0	497.520	3.969	50	0		JHAARM
O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCN(Cc2csc(-c3ccccc3)n2)CC1	ZINC000014368960	555800390	/nfs/dbraw/zinc/80/03/90/555800390.db2.gz	VGHGMABBPVRDTR-UHFFFAOYSA-N	-1	0	491.642	3.917	50	0		JHAARM
O=C([O-])C[C@@H](CNC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)c1ccc(Cl)cc1	ZINC000011867217	555843942	/nfs/dbraw/zinc/84/39/42/555843942.db2.gz	JRLZCKXEHAKEKI-KVZIAJEVSA-N	-1	0	497.979	3.524	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(=O)c(OCc2ccccc2)c[nH]1	ZINC000012068632	555901256	/nfs/dbraw/zinc/90/12/56/555901256.db2.gz	XBLJCMWDXAJATR-UHFFFAOYSA-N	-1	0	482.543	3.876	50	0		JHAARM
CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341876	555953802	/nfs/dbraw/zinc/95/38/02/555953802.db2.gz	UTQIZSCVMLXLBV-SFHVURJKSA-N	-1	0	471.970	3.853	50	0		JHAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1	ZINC000015767997	555986471	/nfs/dbraw/zinc/98/64/71/555986471.db2.gz	ACIDMQZXZZBSFA-YWXUCKCNSA-N	-1	0	483.318	3.625	50	0		JHAARM
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cccc(C(=O)NC2CC2)c1	ZINC000012526183	555994408	/nfs/dbraw/zinc/99/44/08/555994408.db2.gz	AMGPOYGKCOBVOF-UHFFFAOYSA-N	-1	0	459.749	3.804	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Br)cc21	ZINC000015781369	556000423	/nfs/dbraw/zinc/00/04/23/556000423.db2.gz	WQIICEVHKOLIKG-UHFFFAOYSA-N	-1	0	473.414	3.742	50	0		JHAARM
C[C@H]1C[C@H]1C(=O)NCC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000023188371	556029844	/nfs/dbraw/zinc/02/98/44/556029844.db2.gz	URMYENAACBXCMH-SMDDNHRTSA-N	-1	0	456.351	3.505	50	0		JHAARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(OC(F)F)c(Cc2ccccc2)c1	ZINC000012737027	556106208	/nfs/dbraw/zinc/10/62/08/556106208.db2.gz	OPPVSLLCQUVJGU-UHFFFAOYSA-N	-1	0	451.451	3.579	50	0		JHAARM
COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)cc2[n-]c1=S	ZINC000012737751	556106560	/nfs/dbraw/zinc/10/65/60/556106560.db2.gz	TZGFBYQVBOHSMU-UHFFFAOYSA-N	-1	0	460.943	3.960	50	0		JHAARM
CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nnc3n2CCC3)cc1	ZINC000024756543	556150594	/nfs/dbraw/zinc/15/05/94/556150594.db2.gz	VXYRZUGQXZNPCX-UHFFFAOYSA-N	-1	0	463.357	3.853	50	0		JHAARM
CCOC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000025347690	556210122	/nfs/dbraw/zinc/21/01/22/556210122.db2.gz	CVZDDOVDBVIGDA-UHFFFAOYSA-N	-1	0	484.496	3.922	50	0		JHAARM
CCCc1ccc(NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@@H]2CCCO2)cc1	ZINC000013053662	556250078	/nfs/dbraw/zinc/25/00/78/556250078.db2.gz	LGFQPOFXKGHQND-IBGZPJMESA-N	-1	0	481.574	3.957	50	0		JHAARM
COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000027551278	556296424	/nfs/dbraw/zinc/29/64/24/556296424.db2.gz	BAOXABBXPPXWOD-CHHVJCJISA-N	-1	0	451.262	3.558	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2OC)c1	ZINC000028846596	556342801	/nfs/dbraw/zinc/34/28/01/556342801.db2.gz	UOTGMDJENNGROY-UHFFFAOYSA-N	-1	0	472.519	3.536	50	0		JHAARM
O=C([O-])/C=C/C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCC(Cc4ccccc4)CC3)c2c1	ZINC000032073853	556413607	/nfs/dbraw/zinc/41/36/07/556413607.db2.gz	WQANGIJAHHRVMA-DRUWVYPFSA-N	-1	0	461.518	3.828	50	0		JHAARM
COC(=O)c1cn(C)c(-c2ccc([N-]S(=O)(=O)c3cccc4cc(C)cnc43)cc2)c1C(=O)OC	ZINC000032926306	556543222	/nfs/dbraw/zinc/54/32/22/556543222.db2.gz	WHROMSXIEZCMLV-UHFFFAOYSA-N	-1	0	493.541	3.923	50	0		JHAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCOC[C@@H]43)C2=O)cc1	ZINC000008695456	569593512	/nfs/dbraw/zinc/59/35/12/569593512.db2.gz	VQQBLKHEEXIGHL-XMSQKQJNSA-N	-1	0	475.423	3.585	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCN(Cc3cccc(F)c3)CC2)cc1	ZINC000032961992	569602663	/nfs/dbraw/zinc/60/26/63/569602663.db2.gz	FCTJTIRWQYIDDJ-UHFFFAOYSA-N	-1	0	499.564	3.656	50	0		JHAARM
O=C([O-])c1c(Br)ccc(F)c1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2	ZINC000062595198	569612780	/nfs/dbraw/zinc/61/27/80/569612780.db2.gz	HQDAGSWPOCMUIQ-UHFFFAOYSA-N	-1	0	465.256	3.806	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1C	ZINC000032999881	569613860	/nfs/dbraw/zinc/61/38/60/569613860.db2.gz	XSHBCBYBAMPNHR-UHFFFAOYSA-N	-1	0	468.457	3.658	50	0		JHAARM
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cccc(OC)c2)n(C)c(=O)n3C)cc1	ZINC000064580876	569620657	/nfs/dbraw/zinc/62/06/57/569620657.db2.gz	MHLNKBDEEGRNES-UHFFFAOYSA-N	-1	0	485.587	3.846	50	0		JHAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1SCc1cc(=O)n2cc(C)ccc2n1	ZINC000033026186	569620961	/nfs/dbraw/zinc/62/09/61/569620961.db2.gz	CWPDPBIIHGMTBU-UHFFFAOYSA-N	-1	0	456.549	3.701	50	0		JHAARM
COc1ccc(NC(=O)CSc2nnc(-c3cc(C)ccc3NC(C)=O)c(=O)[n-]2)cc1Cl	ZINC000064774911	569627196	/nfs/dbraw/zinc/62/71/96/569627196.db2.gz	RPVUPLPTEFEVNR-UHFFFAOYSA-N	-1	0	473.942	3.904	50	0		JHAARM
CC(C)COc1cccc(-c2nnc(CCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[n-]2)c1	ZINC000034765658	569658379	/nfs/dbraw/zinc/65/83/79/569658379.db2.gz	HBYIUXJSJILDIA-UHFFFAOYSA-N	-1	0	461.566	3.560	50	0		JHAARM
CC(C)COc1cccc(-c2nnc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)[n-]2)c1	ZINC000034765654	569658441	/nfs/dbraw/zinc/65/84/41/569658441.db2.gz	BMADHICKAQZOBT-UHFFFAOYSA-N	-1	0	479.556	3.700	50	0		JHAARM
COc1cc(-c2nnc(CCC(=O)NCc3cccc(F)c3)c(=O)[n-]2)ccc1OCC(C)C	ZINC000034767276	569658743	/nfs/dbraw/zinc/65/87/43/569658743.db2.gz	KSHGDVALRSGXMU-UHFFFAOYSA-N	-1	0	454.502	3.676	50	0		JHAARM
COc1ccccc1CCNC(=O)CCc1nnc(-c2ccc(OCC3CCC3)c(OC)c2)[n-]c1=O	ZINC000034767392	569658792	/nfs/dbraw/zinc/65/87/92/569658792.db2.gz	AALNEUHZEFCSNB-UHFFFAOYSA-N	-1	0	492.576	3.732	50	0		JHAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccc(Br)c3)c2)no1)N1CCCC1	ZINC000065097477	569661142	/nfs/dbraw/zinc/66/11/42/569661142.db2.gz	LPXWHCFKOLDJSY-UHFFFAOYSA-N	-1	0	483.369	3.597	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137548	569668552	/nfs/dbraw/zinc/66/85/52/569668552.db2.gz	CKXVBKMMNYGCIB-UHFFFAOYSA-N	-1	0	495.026	3.692	50	0		JHAARM
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)c(OC)c2c1OCO2	ZINC000066087940	569676872	/nfs/dbraw/zinc/67/68/72/569676872.db2.gz	QUMGNFDRBOKFCB-ZDUSSCGKSA-N	-1	0	454.410	3.535	50	0		JHAARM
O=C1c2cccc3cccc(c32)C(=O)N1CCCc1nnc(Nc2ccc(S(=O)(=O)[O-])cc2)s1	ZINC000067207073	569678219	/nfs/dbraw/zinc/67/82/19/569678219.db2.gz	YJRFDZFUFUEZRF-UHFFFAOYSA-N	-1	0	494.554	3.910	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])c1C	ZINC000035397864	569688551	/nfs/dbraw/zinc/68/85/51/569688551.db2.gz	HJTSEGAOYSNAME-UHFFFAOYSA-N	-1	0	485.610	3.710	50	0		JHAARM
CCOC(=O)c1c2c(sc1NC(=O)/C(C#N)=C/c1c(C)nn(CCC(=O)[O-])c1C)CCCC2	ZINC000095926636	569730378	/nfs/dbraw/zinc/73/03/78/569730378.db2.gz	GBSVZWJLJGMDLP-RVDMUPIBSA-N	-1	0	470.551	3.637	50	0		JHAARM
CCC(=O)N(C(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1Br	ZINC000096602439	569742626	/nfs/dbraw/zinc/74/26/26/569742626.db2.gz	INLJBYZURXJPGJ-UHFFFAOYSA-N	-1	0	466.200	3.547	50	0		JHAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccc(Cc3c(C)noc3C)o2)CC4)cc1	ZINC000097151693	569744597	/nfs/dbraw/zinc/74/45/97/569744597.db2.gz	QQQHBXIGWRERGF-UHFFFAOYSA-N	-1	0	499.527	3.685	50	0		JHAARM
CCC[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)[O-]	ZINC000098063929	569750115	/nfs/dbraw/zinc/75/01/15/569750115.db2.gz	OWEQGUMTLGFTIY-QUCCMNQESA-N	-1	0	484.549	3.528	50	0		JHAARM
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)ccc1Cl	ZINC000098086804	569750489	/nfs/dbraw/zinc/75/04/89/569750489.db2.gz	RIINKFBBNVRAFM-MFOYZWKCSA-N	-1	0	488.905	3.890	50	0		JHAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(c3cccc(Cl)c3)CC1)cn2CCC(=O)[O-]	ZINC000036367090	569773131	/nfs/dbraw/zinc/77/31/31/569773131.db2.gz	IYAZUKIUYGTIBY-HSZRJFAPSA-N	-1	0	471.941	3.726	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Oc5ccccc5)cc4)c=3c2=O)cc1	ZINC000101167455	569785685	/nfs/dbraw/zinc/78/56/85/569785685.db2.gz	MJLHVGFCASZLIV-GOTSBHOMSA-N	-1	0	455.474	3.719	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc6c(c5)CCC6)c(=O)c3=4)n2)cc1	ZINC000101262386	569788355	/nfs/dbraw/zinc/78/83/55/569788355.db2.gz	IFAHPKJYVYFKJP-VXKWHMMOSA-N	-1	0	472.505	3.506	50	0		JHAARM
COc1ccccc1CNC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O	ZINC000101382517	569795438	/nfs/dbraw/zinc/79/54/38/569795438.db2.gz	NVHSOLHLRDYTTL-DQRAZIAOSA-N	-1	0	460.465	3.531	50	0		JHAARM
CCc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	ZINC000101628141	569801957	/nfs/dbraw/zinc/80/19/57/569801957.db2.gz	DTUXOHZXXSSYDR-PMACEKPBSA-N	-1	0	456.564	3.734	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(C(F)(F)F)c5)no4)c=3c2=O)cc1	ZINC000101893778	569807718	/nfs/dbraw/zinc/80/77/18/569807718.db2.gz	MZMONPCCELJBHQ-IRXDYDNUSA-N	-1	0	456.384	3.557	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000102002038	569808835	/nfs/dbraw/zinc/80/88/35/569808835.db2.gz	SATMQKXJAPUZDC-HOTGVXAUSA-N	-1	0	452.685	3.579	50	0		JHAARM
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc(OC)c1OC	ZINC000102758788	569821504	/nfs/dbraw/zinc/82/15/04/569821504.db2.gz	YTMIKUOTNPXFGS-CQOQZXRMSA-N	-1	0	460.486	3.764	50	0		JHAARM
COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccc(OC)c2OC)CC(=O)N3)c(OC)c1	ZINC000049543319	569848418	/nfs/dbraw/zinc/84/84/18/569848418.db2.gz	UFCIPCDXZONSQE-OAHLLOKOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
O=C([O-])CCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)cc1	ZINC000113481718	569861846	/nfs/dbraw/zinc/86/18/46/569861846.db2.gz	YNWCKZDDDXLCFW-INIZCTEOSA-N	-1	0	466.437	3.933	50	0		JHAARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4OCC(=O)[O-])[C@@H]3C2=O)c(C)c1	ZINC000137923194	569865528	/nfs/dbraw/zinc/86/55/28/569865528.db2.gz	IVMLNIBWUHXTQG-CCDWMCETSA-N	-1	0	472.497	3.818	50	0		JHAARM
Cc1ccc2nc3c(cc2c1)C[C@]1(C(=O)NC(=O)N(Cc2ccccc2)C1=O)[C@@H]1C[C@@H](C)CCN31	ZINC000227077868	570039918	/nfs/dbraw/zinc/03/99/18/570039918.db2.gz	IKPNHQIOFCEZNE-ULNHTAIJSA-N	-1	0	468.557	3.969	50	0		JHAARM
COc1cc([C@@H](CC(=O)NCCc2c[nH]c3ccccc23)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253471327	570099302	/nfs/dbraw/zinc/09/93/02/570099302.db2.gz	PPBIIDWHESATCD-LJQANCHMSA-N	-1	0	490.512	3.753	50	0		JHAARM
COc1cc([C@H](CC(=O)Nc2ccc(F)cc2F)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253471554	570099527	/nfs/dbraw/zinc/09/95/27/570099527.db2.gz	VDBIEGAKINHLHT-AWEZNQCLSA-N	-1	0	459.401	3.830	50	0		JHAARM
CCOC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@]4(OC(C)=O)C[C@H](OC(C)=O)CC[C@]4(C(=O)[O-])[C@H]3CC[C@]12C	ZINC000257350017	570153038	/nfs/dbraw/zinc/15/30/38/570153038.db2.gz	UBMMRXIZAPNXIB-SZXZSGMPSA-N	-1	0	478.582	3.891	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NC(=O)C(F)(F)F)c3)cc2)n1	ZINC000001056524	194010886	/nfs/dbraw/zinc/01/08/86/194010886.db2.gz	FNNOGOXLJCRIJI-UHFFFAOYSA-N	-1	0	493.467	3.647	50	0		JHAARM
Cc1cccc(N2C(=O)[N-]C(=O)[C@@](CCc3ccccn3)(Cc3ccc4c(c3)OCO4)C2=O)c1	ZINC000001127764	194037277	/nfs/dbraw/zinc/03/72/77/194037277.db2.gz	CBGCDGLCGFXJEC-AREMUKBSSA-N	-1	0	457.486	3.563	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1	ZINC000001148356	194049271	/nfs/dbraw/zinc/04/92/71/194049271.db2.gz	OMVDPCWRSRWXND-UHFFFAOYSA-N	-1	0	482.967	3.959	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc4ccccc43)cc2)nc(OC)n1	ZINC000001194518	194066857	/nfs/dbraw/zinc/06/68/57/194066857.db2.gz	NZGLUZVPKJQYKN-UHFFFAOYSA-N	-1	0	464.503	3.700	50	0		JHAARM
COc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccccc2C(=O)[O-])C(Cl)(Cl)Cl)cc1	ZINC000001232181	194077012	/nfs/dbraw/zinc/07/70/12/194077012.db2.gz	BBFGPWOBTZXGPO-INIZCTEOSA-N	-1	0	476.769	3.806	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2)n1	ZINC000002969237	194186835	/nfs/dbraw/zinc/18/68/35/194186835.db2.gz	OYMIQKHRKDGWPP-UHFFFAOYSA-N	-1	0	468.564	3.501	50	0		JHAARM
O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1	ZINC000003310332	194276410	/nfs/dbraw/zinc/27/64/10/194276410.db2.gz	GCZNYZHZEWKFEP-UHFFFAOYSA-N	-1	0	451.480	3.688	50	0		JHAARM
COC(=O)c1cc(OC)c(OC)c(OC)c1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000003348158	194294593	/nfs/dbraw/zinc/29/45/93/194294593.db2.gz	MDEBJEJKTWEQNP-UHFFFAOYSA-N	-1	0	450.296	3.607	50	0		JHAARM
O=C(NCc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000003368275	194304338	/nfs/dbraw/zinc/30/43/38/194304338.db2.gz	XIXDSTQXPLYXCS-UHFFFAOYSA-N	-1	0	464.421	3.563	50	0		JHAARM
CCOc1cc2c(cc1OCC)[C@@H](C(=O)[O-])[C@@H](c1cc(Br)c(O)c(OC)c1)N(C)C2=O	ZINC000004100650	194377551	/nfs/dbraw/zinc/37/75/51/194377551.db2.gz	ODIQHYXIRGUGSQ-RTBURBONSA-N	-1	0	494.338	3.956	50	0		JHAARM
Cc1cc(C(C)(C)C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(=O)NC(C)C)c1C	ZINC000009224154	194610595	/nfs/dbraw/zinc/61/05/95/194610595.db2.gz	QLYLAKGIUBWBOK-UHFFFAOYSA-N	-1	0	459.612	3.656	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3nc4ccccc4nc3[N-]S(=O)(=O)c3ccccc3)CC2)cc1	ZINC000009631554	194829405	/nfs/dbraw/zinc/82/94/05/194829405.db2.gz	XCEQRNKLOIZZHA-UHFFFAOYSA-N	-1	0	487.585	3.960	50	0		JHAARM
CCOC(=O)c1sc2ncc(S(=O)(=O)[N-]c3cnc4c(cnn4C(C)C)c3)cc2c1C	ZINC000058245560	195374986	/nfs/dbraw/zinc/37/49/86/195374986.db2.gz	WHFAKNCKWIHZFD-UHFFFAOYSA-N	-1	0	459.553	3.908	50	0		JHAARM
CN1CCN(C(=O)C[C@H](c2ccncc2)c2c([O-])cc(O)c3c(=O)cc(-c4ccccc4)oc32)CC1	ZINC000096115300	129967491	/nfs/dbraw/zinc/96/74/91/129967491.db2.gz	OMPGSDXZZQULSS-HXUWFJFHSA-N	-1	0	485.540	3.562	50	0	biogenic	JHAARM
CC[C@H](C)NS(=O)(=O)c1cc(NC(=O)[C@@H](C)CC)ccc1Oc1c(C)c(C(=O)[O-])nn1CC	ZINC000096317807	130062386	/nfs/dbraw/zinc/06/23/86/130062386.db2.gz	XUSXQSDGRQVCBE-KBPBESRZSA-N	-1	0	480.587	3.763	50	0		JHAARM
CCn1nc(C(=O)[O-])c(C)c1Oc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)NC(C)(C)C	ZINC000096317859	130062642	/nfs/dbraw/zinc/06/26/42/130062642.db2.gz	VZSSEIKYADYGGA-UHFFFAOYSA-N	-1	0	480.587	3.763	50	0		JHAARM
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000033414781	518837364	/nfs/dbraw/zinc/83/73/64/518837364.db2.gz	FJEXPICLVWOJSE-VFNWGFHPSA-N	-1	0	452.507	3.988	50	0		JHAARM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1	ZINC000012417710	519668920	/nfs/dbraw/zinc/66/89/20/519668920.db2.gz	WFFGPQLYQCAKDY-ROUUACIJSA-N	-1	0	457.596	3.569	50	0		JHAARM
CCOC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(Br)c2)CC1	ZINC000022626228	520581701	/nfs/dbraw/zinc/58/17/01/520581701.db2.gz	FTCQNNDKBBCKFZ-INIZCTEOSA-N	-1	0	479.400	3.932	50	0		JHAARM
CCOc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[n-]2)cc1	ZINC000012414585	521067719	/nfs/dbraw/zinc/06/77/19/521067719.db2.gz	PCAWNJORLOGJAD-UHFFFAOYSA-N	-1	0	493.994	3.694	50	0		JHAARM
CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)CC)c(=O)[n-]2)cc1	ZINC000035378036	521069949	/nfs/dbraw/zinc/06/99/49/521069949.db2.gz	KUVNTXFBNIPTQO-UHFFFAOYSA-N	-1	0	453.524	3.722	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2C(=O)[O-])C1	ZINC000033253422	521120384	/nfs/dbraw/zinc/12/03/84/521120384.db2.gz	BXPBTBLQBIYYIU-OAHLLOKOSA-N	-1	0	480.970	3.927	50	0		JHAARM
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]c3noc4ccccc43)cc21	ZINC000044144410	521154817	/nfs/dbraw/zinc/15/48/17/521154817.db2.gz	RHCGJDJAYZEFKE-UHFFFAOYSA-N	-1	0	450.314	3.690	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2C(=O)[O-])C1	ZINC000033253385	521303851	/nfs/dbraw/zinc/30/38/51/521303851.db2.gz	OSGXIFZFKIQHNW-KRWDZBQOSA-N	-1	0	460.552	3.582	50	0		JHAARM
CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])ccc12	ZINC000002133638	521350966	/nfs/dbraw/zinc/35/09/66/521350966.db2.gz	ZIVZJOWPSQQQRQ-FPTDNZKUSA-N	-1	0	478.501	3.512	50	0	biogenic	JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)ccc1C	ZINC000033255753	521554542	/nfs/dbraw/zinc/55/45/42/521554542.db2.gz	BQJBBUMKFKWBFI-OALUTQOASA-N	-1	0	456.564	3.870	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccc(F)cc1)CN(C(=O)c1cccc(C)c1)CC2	ZINC000012330760	521790809	/nfs/dbraw/zinc/79/08/09/521790809.db2.gz	LSSBOQHOZLRAIT-UHFFFAOYSA-N	-1	0	488.562	3.982	50	0		JHAARM
COC(=O)c1cc(CNC(=O)c2ccccc2F)cc([N-]S(=O)(=O)c2ccccc2Cl)c1	ZINC000012246706	521855416	/nfs/dbraw/zinc/85/54/16/521855416.db2.gz	XXFKMKZUSMRIFS-UHFFFAOYSA-N	-1	0	476.913	3.997	50	0		JHAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(CC(=O)N2CCCC2)c1	ZINC000033307532	521910611	/nfs/dbraw/zinc/91/06/11/521910611.db2.gz	FUYJJNOYLFXSDK-UHFFFAOYSA-N	-1	0	458.609	3.906	50	0		JHAARM
CCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3ccccc3CC)c1)NC(=O)CCC2=O	ZINC000033276719	522706111	/nfs/dbraw/zinc/70/61/11/522706111.db2.gz	XTPUSKGFMRAMLW-UHFFFAOYSA-N	-1	0	482.562	3.857	50	0		JHAARM
COc1cc2oc(=O)c(CC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(C)c2cc1Cl	ZINC000002113079	523071259	/nfs/dbraw/zinc/07/12/59/523071259.db2.gz	UZSVMJXKWMMGAM-UHFFFAOYSA-N	-1	0	469.921	3.951	50	0	biogenic	JHAARM
COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@]2(CC(=O)N3)c3cc(F)ccc3N(C)C2=O)cc1	ZINC000036359494	523081678	/nfs/dbraw/zinc/08/16/78/523081678.db2.gz	OLQCDWWPICYUIA-HSZRJFAPSA-N	-1	0	452.463	3.866	50	0		JHAARM
CC[C@H](C)C(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)c2C(=O)OC)C1	ZINC000012450067	523830045	/nfs/dbraw/zinc/83/00/45/523830045.db2.gz	FVUDGAXRAANKQK-AWEZNQCLSA-N	-1	0	476.620	3.755	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc2c(cc1C)N(Cc1noc(C3CCC3)n1)C(=O)CO2	ZINC000065022895	523844095	/nfs/dbraw/zinc/84/40/95/523844095.db2.gz	MOVWEJJNDBPGAH-UHFFFAOYSA-N	-1	0	498.561	3.689	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1	ZINC000065099005	523844272	/nfs/dbraw/zinc/84/42/72/523844272.db2.gz	VIUAWIVPXXLYSI-UHFFFAOYSA-N	-1	0	462.553	3.542	50	0		JHAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C2CCC2)n1	ZINC000064946965	524246320	/nfs/dbraw/zinc/24/63/20/524246320.db2.gz	PPJCTQPBFQDWLV-UHFFFAOYSA-N	-1	0	490.925	3.756	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3cnn4c3nc(C)cc4C)ccc2OC)c1	ZINC000033171412	524871397	/nfs/dbraw/zinc/87/13/97/524871397.db2.gz	KWYVFLUBLFMCTP-UHFFFAOYSA-N	-1	0	468.535	3.840	50	0		JHAARM
Cc1ccccc1-n1c(SCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])nc2ccccc2c1=O	ZINC000013412249	525025647	/nfs/dbraw/zinc/02/56/47/525025647.db2.gz	CNUYNFTYKCWLPZ-OAQYLSRUSA-N	-1	0	473.554	3.598	50	0		JHAARM
Cc1c(C)c2cc(Cl)c(O[C@@H](C)C(=O)N[C@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])cc2oc1=O	ZINC000002135287	525677251	/nfs/dbraw/zinc/67/72/51/525677251.db2.gz	LXRUOIZEFNBILZ-RNODOKPDSA-N	-1	0	498.919	3.830	50	0	biogenic	JHAARM
Cc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[n-]c(=S)n3-c2ccc(C)cc2)cc1	ZINC000012447626	526207050	/nfs/dbraw/zinc/20/70/50/526207050.db2.gz	HYSNCSIDZTXBIP-OAQYLSRUSA-N	-1	0	474.464	3.652	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3C)cn2CC(=O)N2CCCC2)n1	ZINC000033307582	526300727	/nfs/dbraw/zinc/30/07/27/526300727.db2.gz	BQEMYERPOODMCT-UHFFFAOYSA-N	-1	0	462.572	3.791	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C)c3C)cn2CC(=O)N2CCCC2)n1	ZINC000033307531	526301287	/nfs/dbraw/zinc/30/12/87/526301287.db2.gz	REGDMLRTXVOLDO-UHFFFAOYSA-N	-1	0	458.609	3.960	50	0		JHAARM
O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCCN(c2ccc(Cl)nn2)CC1	ZINC000046053681	526351151	/nfs/dbraw/zinc/35/11/51/526351151.db2.gz	QDUGXVCBLOSGIU-UHFFFAOYSA-N	-1	0	457.943	3.859	50	0		JHAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000033253230	526352305	/nfs/dbraw/zinc/35/23/05/526352305.db2.gz	APZBOPSGOKJJJM-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
O=C([O-])c1cnc(N2CCC(CC[NH+]3CCCCC3)CC2)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000035397922	526403691	/nfs/dbraw/zinc/40/36/91/526403691.db2.gz	HFTXRZQUEFDZTH-UHFFFAOYSA-N	-1	0	490.601	3.812	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N[C@@H]1CCCc2ccccc21	ZINC000006247532	526917042	/nfs/dbraw/zinc/91/70/42/526917042.db2.gz	RHFXXGOEJVQWNA-JOCHJYFZSA-N	-1	0	482.533	3.977	50	0		JHAARM
Cc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1	ZINC000013548968	526984916	/nfs/dbraw/zinc/98/49/16/526984916.db2.gz	MAHFAZSMVIJUOG-UHFFFAOYSA-N	-1	0	450.929	3.868	50	0		JHAARM
O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1	ZINC000001152988	527055975	/nfs/dbraw/zinc/05/59/75/527055975.db2.gz	ARLYXURNWIUMGA-NVMNQCDNSA-N	-1	0	462.358	3.661	50	0		JHAARM
Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000022627375	527206359	/nfs/dbraw/zinc/20/63/59/527206359.db2.gz	YBZSGYSVBDUWNY-KRWDZBQOSA-N	-1	0	457.943	3.599	50	0		JHAARM
O=C([O-])C=CC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000013571894	527544265	/nfs/dbraw/zinc/54/42/65/527544265.db2.gz	YTMHBTGSCUYGDA-WAVCKPEOSA-N	-1	0	465.314	3.997	50	0		JHAARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)SC1=S	ZINC000002067838	527608530	/nfs/dbraw/zinc/60/85/30/527608530.db2.gz	LZUBLSOEMAVSSH-WCSRMQSCSA-N	-1	0	461.433	3.581	50	0		JHAARM
O=C([O-])COc1ccc(Br)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O	ZINC000016115495	527617660	/nfs/dbraw/zinc/61/76/60/527617660.db2.gz	PIDIXVSPYZIOEB-NVNXTCNLSA-N	-1	0	465.687	3.659	50	0		JHAARM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(I)cc3)C2=O)cc1	ZINC000000726012	553774009	/nfs/dbraw/zinc/77/40/09/553774009.db2.gz	OJVSOVOXLBQDCJ-AQTBWJFISA-N	-1	0	461.303	3.599	50	0		JHAARM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)c1	ZINC000000754843	553777451	/nfs/dbraw/zinc/77/74/51/553777451.db2.gz	ZJOOXWFRQRHJMG-UHFFFAOYSA-N	-1	0	451.909	3.672	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3c(C)ccc(C)c3C)cc2)nc(C)n1	ZINC000000951230	553881505	/nfs/dbraw/zinc/88/15/05/553881505.db2.gz	FIGUFHCEYDMTAQ-UHFFFAOYSA-N	-1	0	454.552	3.837	50	0		JHAARM
COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1cccc(C(=O)[O-])c1	ZINC000001897366	554002029	/nfs/dbraw/zinc/00/20/29/554002029.db2.gz	BUVUFYVWOLYCIR-LPYMAVHISA-N	-1	0	458.495	3.743	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N3CCC(C(=O)[O-])(c4ccccc4)CC3)c(=O)oc2c1C	ZINC000002155728	554072154	/nfs/dbraw/zinc/07/21/54/554072154.db2.gz	BRFVONMOPIHFGV-UHFFFAOYSA-N	-1	0	463.530	3.996	50	0	biogenic	JHAARM
Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])s2)cc1	ZINC000002633018	554254479	/nfs/dbraw/zinc/25/44/79/554254479.db2.gz	CTNXYSIGCPARQK-SFHVURJKSA-N	-1	0	467.576	3.976	50	0		JHAARM
CC[C@@H](Sc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)[n-]1)C(=O)Nc1ccc(OC)cc1	ZINC000002705651	554295149	/nfs/dbraw/zinc/29/51/49/554295149.db2.gz	KOJALLGDIUBPEQ-QGZVFWFLSA-N	-1	0	493.994	3.774	50	0		JHAARM
O=C(C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1)N1CCN(c2ccccn2)CC1	ZINC000002972122	554413973	/nfs/dbraw/zinc/41/39/73/554413973.db2.gz	LPKSQZXRHPTBAT-UHFFFAOYSA-N	-1	0	463.607	3.609	50	0		JHAARM
COc1ccccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1OC)c2=O	ZINC000003051906	554424455	/nfs/dbraw/zinc/42/44/55/554424455.db2.gz	FVDNYBWONONZRI-UHFFFAOYSA-N	-1	0	461.543	3.681	50	0		JHAARM
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N(CCO)Cc3ccccc3)cc2[n-]c1=S	ZINC000003051968	554424808	/nfs/dbraw/zinc/42/48/08/554424808.db2.gz	JXBOHUFBYOYWOW-UHFFFAOYSA-N	-1	0	475.570	3.751	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)c(C)c(C)n4C)cc2)ncn1	ZINC000003634516	554469296	/nfs/dbraw/zinc/46/92/96/554469296.db2.gz	ILVXOYBENQPFDW-UHFFFAOYSA-N	-1	0	465.535	3.647	50	0		JHAARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Br)c2)C1=O	ZINC000008395962	554570598	/nfs/dbraw/zinc/57/05/98/554570598.db2.gz	UMRMDPCIMHJTGG-UGZWPXFQSA-N	-1	0	492.731	3.554	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)cc(Cl)c3[O-])c(=O)n2[C@H]1c1cccs1	ZINC000008424815	554579743	/nfs/dbraw/zinc/57/97/43/554579743.db2.gz	ZFSSEWGJMYXACM-BXUGYJKXSA-N	-1	0	495.409	3.872	50	0		JHAARM
CCCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCSC)C(=O)[O-])cc1	ZINC000008740177	554642059	/nfs/dbraw/zinc/64/20/59/554642059.db2.gz	RNTQOGGYJIBDES-YADHBBJMSA-N	-1	0	472.607	3.529	50	0	biogenic	JHAARM
Cc1c2ccc(OCC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2oc(=O)c1Cc1ccccc1	ZINC000008743022	554645642	/nfs/dbraw/zinc/64/56/42/554645642.db2.gz	KTZOKINREVUDBT-XMMPIXPASA-N	-1	0	471.509	3.883	50	0		JHAARM
COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](Cc4ccccc4)C(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000008765152	554665793	/nfs/dbraw/zinc/66/57/93/554665793.db2.gz	KKVBSYFDXQBFMP-IBGZPJMESA-N	-1	0	479.529	3.568	50	0	biogenic	JHAARM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3Cc2ccccc2)c(OC)c1	ZINC000008840663	554740095	/nfs/dbraw/zinc/74/00/95/554740095.db2.gz	GRAINUPMOVDHRN-UHFFFAOYSA-N	-1	0	452.532	3.984	50	0		JHAARM
CCCSc1nnc([N-]C(=O)c2nc(S(=O)(=O)Cc3ccccc3)ncc2Cl)s1	ZINC000008917168	554811963	/nfs/dbraw/zinc/81/19/63/554811963.db2.gz	HCTJKVXTTZAYJZ-UHFFFAOYSA-N	-1	0	470.001	3.710	50	0		JHAARM
Cc1ccc2nc(N3CCN(C(=O)[C@H]4CC=CC[C@H]4C(=O)[O-])CC3)nc(-c3ccccc3)c2c1	ZINC000009042368	554869190	/nfs/dbraw/zinc/86/91/90/554869190.db2.gz	VKPOPKZBSRFKMQ-LEWJYISDSA-N	-1	0	456.546	3.921	50	0		JHAARM
CCOc1ccc(OCC)c([N-]S(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)c1	ZINC000009153165	554941951	/nfs/dbraw/zinc/94/19/51/554941951.db2.gz	SLZNYQQTMMFGML-UHFFFAOYSA-N	-1	0	495.557	3.519	50	0		JHAARM
O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000009218498	554987407	/nfs/dbraw/zinc/98/74/07/554987407.db2.gz	FIAYRHLGFRPXOU-UHFFFAOYSA-N	-1	0	455.521	3.565	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)ccc1OCC(=O)[O-]	ZINC000009235297	555009118	/nfs/dbraw/zinc/00/91/18/555009118.db2.gz	OFHQPYXTSSKNGC-BLLMUTORSA-N	-1	0	477.878	3.777	50	0		JHAARM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O	ZINC000009274294	555046556	/nfs/dbraw/zinc/04/65/56/555046556.db2.gz	VIRGUBRGWIVYMM-UHFFFAOYSA-N	-1	0	459.886	3.780	50	0		JHAARM
COc1ccc(COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC	ZINC000009402967	555161025	/nfs/dbraw/zinc/16/10/25/555161025.db2.gz	LVENPPVURHHMLZ-UHFFFAOYSA-N	-1	0	485.514	3.633	50	0		JHAARM
CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3F)CC2)cc1	ZINC000009507728	555292740	/nfs/dbraw/zinc/29/27/40/555292740.db2.gz	LBNATRICRBEQBD-UHFFFAOYSA-N	-1	0	499.539	3.931	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2OC)c1	ZINC000009540133	555332525	/nfs/dbraw/zinc/33/25/25/555332525.db2.gz	YHWCQIQJHBZVEJ-UHFFFAOYSA-N	-1	0	482.967	3.959	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2cccc(C)c2)ccc1N1CCOCC1	ZINC000009545645	555338809	/nfs/dbraw/zinc/33/88/09/555338809.db2.gz	FXSQGCZIGFUTQH-UHFFFAOYSA-N	-1	0	481.574	3.893	50	0		JHAARM
COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1C	ZINC000009637504	555345356	/nfs/dbraw/zinc/34/53/56/555345356.db2.gz	PNLAEVOWIKFESG-AWEZNQCLSA-N	-1	0	490.559	3.709	50	0		JHAARM
COc1ccc(C[C@]2(CCc3ccccn3)C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1OC	ZINC000013153348	555359725	/nfs/dbraw/zinc/35/97/25/555359725.db2.gz	BUBWVRCWWRGNQX-HHHXNRCGSA-N	-1	0	473.529	3.852	50	0		JHAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(=O)(=O)c1cccs1)CCC2	ZINC000009708679	555433531	/nfs/dbraw/zinc/43/35/31/555433531.db2.gz	ANIKNNKBQNIQKT-UHFFFAOYSA-N	-1	0	482.580	3.838	50	0		JHAARM
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000009631180	555459884	/nfs/dbraw/zinc/45/98/84/555459884.db2.gz	RMYZBPBWBLAFPU-UHFFFAOYSA-N	-1	0	491.616	3.586	50	0		JHAARM
COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009739359	555470895	/nfs/dbraw/zinc/47/08/95/555470895.db2.gz	HZUYHKMNRWDJET-UHFFFAOYSA-N	-1	0	454.476	3.575	50	0		JHAARM
Cc1ccc(NC(=O)COC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc1F	ZINC000009739402	555471107	/nfs/dbraw/zinc/47/11/07/555471107.db2.gz	MRGTYRNUPWGRGY-UHFFFAOYSA-N	-1	0	460.458	3.870	50	0		JHAARM
CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1	ZINC000013579029	555517641	/nfs/dbraw/zinc/51/76/41/555517641.db2.gz	UUNPAVOTNLQRGX-UHFFFAOYSA-N	-1	0	460.442	3.635	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1	ZINC000009971101	555568534	/nfs/dbraw/zinc/56/85/34/555568534.db2.gz	KGZJZUHALMMSKP-UHFFFAOYSA-N	-1	0	469.519	3.715	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1	ZINC000010117672	555628014	/nfs/dbraw/zinc/62/80/14/555628014.db2.gz	MUXLPXRKGWMIQV-UHFFFAOYSA-N	-1	0	476.558	3.654	50	0		JHAARM
COc1cc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2)cc(OC)c1OC	ZINC000013881509	555639935	/nfs/dbraw/zinc/63/99/35/555639935.db2.gz	VTMHGDPHERBIHB-UHFFFAOYSA-N	-1	0	450.447	3.915	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccc3c(c2)OCO3)c1	ZINC000010741771	555737310	/nfs/dbraw/zinc/73/73/10/555737310.db2.gz	BZKFCVXQRNFHNQ-UHFFFAOYSA-N	-1	0	484.530	3.805	50	0		JHAARM
COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000014367884	555800410	/nfs/dbraw/zinc/80/04/10/555800410.db2.gz	IRTUIMQFJCOLES-RCDICMHDSA-N	-1	0	472.494	3.802	50	0		JHAARM
COC(=O)c1c2c(sc1S(=O)(=O)[N-]c1ccccc1C)CN(C(=O)[C@@H]1CC=CCC1)CC2	ZINC000011783380	555814255	/nfs/dbraw/zinc/81/42/55/555814255.db2.gz	FFDXYNXKDXVZTM-MRXNPFEDSA-N	-1	0	474.604	3.885	50	0		JHAARM
COc1ccc2c(C)c(CCC(=O)N[C@H](CSCc3ccccc3)C(=O)[O-])c(=O)oc2c1	ZINC000011865651	555840576	/nfs/dbraw/zinc/84/05/76/555840576.db2.gz	PQCZWKSTDBSXNP-HXUWFJFHSA-N	-1	0	455.532	3.545	50	0		JHAARM
CC[C@@H](C)CC(=O)N1CCc2c(sc(S(=O)(=O)[N-]c3ccccc3C)c2C(=O)OC)C1	ZINC000011912294	555860698	/nfs/dbraw/zinc/86/06/98/555860698.db2.gz	XLCMSDJSPKULLJ-CQSZACIVSA-N	-1	0	464.609	3.965	50	0		JHAARM
O=C(COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O)Nc1ccc(F)cc1	ZINC000015231467	555889836	/nfs/dbraw/zinc/88/98/36/555889836.db2.gz	VYKVYSCNVNVBOK-XSFVSMFZSA-N	-1	0	475.501	3.675	50	0		JHAARM
COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	ZINC000015343748	555899619	/nfs/dbraw/zinc/89/96/19/555899619.db2.gz	JLPGDAZSLKBKAC-UHFFFAOYSA-N	-1	0	457.577	3.520	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)OCCCc3ccccc3)cc2)no1	ZINC000012136935	555914180	/nfs/dbraw/zinc/91/41/80/555914180.db2.gz	SMUZPFLTLZZDIZ-UHFFFAOYSA-N	-1	0	471.535	3.679	50	0		JHAARM
CCCc1cc(C(=O)NCc2cc([N-]S(=O)(=O)c3ccccc3Cl)cc(C(=O)OC)c2)no1	ZINC000012161536	555931012	/nfs/dbraw/zinc/93/10/12/555931012.db2.gz	PYKYSMJEFRQPIH-UHFFFAOYSA-N	-1	0	491.953	3.798	50	0		JHAARM
CC(=O)N1CCN([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1	ZINC000022851889	555958829	/nfs/dbraw/zinc/95/88/29/555958829.db2.gz	BVOLINHUMKTGEJ-KRWDZBQOSA-N	-1	0	457.943	3.663	50	0		JHAARM
[O-]c1c([C@@H](c2cccc(Br)c2)N2CCOCC2)sc2nc(-c3ccco3)nn12	ZINC000022852048	555958854	/nfs/dbraw/zinc/95/88/54/555958854.db2.gz	NCKJQCDKDXOPSJ-OAHLLOKOSA-N	-1	0	461.341	3.941	50	0		JHAARM
CC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2Cl)CC1	ZINC000022851891	555958860	/nfs/dbraw/zinc/95/88/60/555958860.db2.gz	BVOLINHUMKTGEJ-QGZVFWFLSA-N	-1	0	457.943	3.663	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2F)CC1	ZINC000022852145	555959184	/nfs/dbraw/zinc/95/91/84/555959184.db2.gz	PHSNYJIRTFEYBD-QGZVFWFLSA-N	-1	0	471.514	3.759	50	0		JHAARM
CC(C)C[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000012382152	555970856	/nfs/dbraw/zinc/97/08/56/555970856.db2.gz	JGPHPGOLTQZHFB-BIRYMOPTSA-N	-1	0	459.340	3.836	50	0		JHAARM
Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1	ZINC000012526116	555994051	/nfs/dbraw/zinc/99/40/51/555994051.db2.gz	KFRQXXGZVWFCSJ-UHFFFAOYSA-N	-1	0	457.577	3.980	50	0		JHAARM
CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(CC)ccc3OC)cc21	ZINC000015781435	556000473	/nfs/dbraw/zinc/00/04/73/556000473.db2.gz	RXTXEEADARGTNF-UHFFFAOYSA-N	-1	0	452.598	3.551	50	0		JHAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(c3ccccc3F)CC2)cc1	ZINC000023157311	556025784	/nfs/dbraw/zinc/02/57/84/556025784.db2.gz	IGHZGQSWFFHLER-HXUWFJFHSA-N	-1	0	453.543	3.864	50	0		JHAARM
COc1cc(NC(=O)c2ccccc2)c(OC)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2	ZINC000012552417	556035199	/nfs/dbraw/zinc/03/51/99/556035199.db2.gz	RTGCHLBHEOGGAZ-UHFFFAOYSA-N	-1	0	484.530	3.918	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H]3C[C@H]3C)ccc2OC)cc1Br	ZINC000015946969	556084356	/nfs/dbraw/zinc/08/43/56/556084356.db2.gz	USBXUBWJMMNTMF-RISCZKNCSA-N	-1	0	469.357	3.862	50	0		JHAARM
Cc1nn(C)c(C)c1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1	ZINC000012736991	556106077	/nfs/dbraw/zinc/10/60/77/556106077.db2.gz	NLLYTJKWZDVKLQ-UHFFFAOYSA-N	-1	0	469.386	3.914	50	0		JHAARM
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1	ZINC000017026584	556206400	/nfs/dbraw/zinc/20/64/00/556206400.db2.gz	IXXYXBDNFJWOOE-UHFFFAOYSA-N	-1	0	472.588	3.946	50	0		JHAARM
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)n1	ZINC000017136063	556223445	/nfs/dbraw/zinc/22/34/45/556223445.db2.gz	PYNWOSNSSIIJIU-UHFFFAOYSA-N	-1	0	483.532	3.958	50	0		JHAARM
Cc1cc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N	ZINC000026154046	556250524	/nfs/dbraw/zinc/25/05/24/556250524.db2.gz	KLVDUSUYBDMJKR-SANMLTNESA-N	-1	0	480.568	3.992	50	0	in-vitro	JHAARM
COCCOC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@H]1c1cccc(Br)c1	ZINC000013098997	556298937	/nfs/dbraw/zinc/29/89/37/556298937.db2.gz	XVJWMOIZMMLQFH-IBGZPJMESA-N	-1	0	489.322	3.882	50	0		JHAARM
CCCSc1nc([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1	ZINC000013136783	556367279	/nfs/dbraw/zinc/36/72/79/556367279.db2.gz	GIJRQAQSWSUCFE-GOSISDBHSA-N	-1	0	454.504	3.717	50	0		JHAARM
Cc1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCC3)ccc2OCC(F)(F)F)c1	ZINC000013137133	556367308	/nfs/dbraw/zinc/36/73/08/556367308.db2.gz	HIFTVYQYGNRDLH-UHFFFAOYSA-N	-1	0	478.514	3.521	50	0		JHAARM
COc1cc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)cc(OC)c1OC	ZINC000032271459	556433954	/nfs/dbraw/zinc/43/39/54/556433954.db2.gz	HMXWTCQHMZXXPP-UHFFFAOYSA-N	-1	0	460.483	3.905	50	0		JHAARM
O=C(CCn1[n-]c(=O)ccc1=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1	ZINC000032722742	556475747	/nfs/dbraw/zinc/47/57/47/556475747.db2.gz	PUXLCPLQCJLLOG-UHFFFAOYSA-N	-1	0	450.495	3.835	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)CC1	ZINC000032961920	556579684	/nfs/dbraw/zinc/57/96/84/556579684.db2.gz	AGTVMFAXSKLWNZ-UHFFFAOYSA-N	-1	0	467.547	3.521	50	0		JHAARM
COc1cc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc(OC)c1OC	ZINC000006025667	562936545	/nfs/dbraw/zinc/93/65/45/562936545.db2.gz	LIFPERBZIXQFTD-IZZDOVSWSA-N	-1	0	487.534	3.770	50	0		JHAARM
O=C(Nc1ccccc1)c1ccc2c([O-])c(S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1	ZINC000008589499	562942118	/nfs/dbraw/zinc/94/21/18/562942118.db2.gz	OMADXMIGQIYSGW-UHFFFAOYSA-N	-1	0	454.891	3.972	50	0		JHAARM
Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)oc2c1	ZINC000008606751	562946929	/nfs/dbraw/zinc/94/69/29/562946929.db2.gz	SYMRPZQIXCCHHZ-UHFFFAOYSA-N	-1	0	478.530	3.870	50	0		JHAARM
COC(=O)c1ccc(Sc2ccccc2[N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nc1	ZINC000008656524	562948670	/nfs/dbraw/zinc/94/86/70/562948670.db2.gz	YHMIXQKHEMCXAC-UHFFFAOYSA-N	-1	0	457.533	3.779	50	0		JHAARM
C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)[n-]c(=S)n(CCCN2CCCC2=O)c3=O)[C@@H]1C	ZINC000008661772	569592680	/nfs/dbraw/zinc/59/26/80/569592680.db2.gz	PKDZSDJUKZRTQJ-MDZRGWNJSA-N	-1	0	456.612	3.626	50	0		JHAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2)n1	ZINC000008722830	569599025	/nfs/dbraw/zinc/59/90/25/569599025.db2.gz	PZUBAYFENQKOCW-UHFFFAOYSA-N	-1	0	475.983	3.674	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2C(=O)[O-])C1	ZINC000032962053	569602871	/nfs/dbraw/zinc/60/28/71/569602871.db2.gz	ZYSPDBCFKKMSJH-GOSISDBHSA-N	-1	0	474.579	3.890	50	0		JHAARM
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000062595153	569612753	/nfs/dbraw/zinc/61/27/53/569612753.db2.gz	VJJVSSKJQHPBTK-UHFFFAOYSA-N	-1	0	496.467	3.500	50	0		JHAARM
O=C([O-])c1cc(N2CCN(c3ccccc3)CC2)ccc1NS(=O)(=O)c1ccc(F)cc1	ZINC000033006876	569615004	/nfs/dbraw/zinc/61/50/04/569615004.db2.gz	KCAWLWAFYLYTEI-UHFFFAOYSA-N	-1	0	455.511	3.651	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5cccc(Br)c5)no4)c=3c2=O)cc1C	ZINC000064565364	569618789	/nfs/dbraw/zinc/61/87/89/569618789.db2.gz	SHIYPPXFFZPOMU-ZWKOTPCHSA-N	-1	0	481.310	3.609	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC2CCCCC2)c(OC)c1	ZINC000064862027	569639539	/nfs/dbraw/zinc/63/95/39/569639539.db2.gz	KUGGQMKENIMLNL-UHFFFAOYSA-N	-1	0	459.568	3.909	50	0		JHAARM
CC(C)COc1ccc(-c2nnc(CCC(=O)N3CCN(c4ccccc4F)CC3)c(=O)[n-]2)cc1	ZINC000034763923	569658246	/nfs/dbraw/zinc/65/82/46/569658246.db2.gz	PJPQQHJDRYWRHQ-UHFFFAOYSA-N	-1	0	479.556	3.700	50	0		JHAARM
COc1ccc(CCN(C)C(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)[n-]c2=O)cc1OC	ZINC000034767527	569658769	/nfs/dbraw/zinc/65/87/69/569658769.db2.gz	GLEPSYNMJWVUBO-UHFFFAOYSA-N	-1	0	490.482	3.914	50	0		JHAARM
Cc1sc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000065097668	569661549	/nfs/dbraw/zinc/66/15/49/569661549.db2.gz	NVCWIKAJKDCLTE-UHFFFAOYSA-N	-1	0	470.935	3.936	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2C)sc1C(=O)N1CCCC1	ZINC000065137440	569668238	/nfs/dbraw/zinc/66/82/38/569668238.db2.gz	NJYRBJDSMRFAEQ-UHFFFAOYSA-N	-1	0	466.535	3.772	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cn2C)sc1C(=O)N1CCOCC1	ZINC000065137566	569668578	/nfs/dbraw/zinc/66/85/78/569668578.db2.gz	SOWOXBQDPIJYGG-UHFFFAOYSA-N	-1	0	495.026	3.692	50	0		JHAARM
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(OC)cc(OC)c2)[n-]c1=O	ZINC000035378025	569685792	/nfs/dbraw/zinc/68/57/92/569685792.db2.gz	KRHJLKRGIGKZPR-CYBMUJFWSA-N	-1	0	483.550	3.729	50	0		JHAARM
Cc1nn(C)c(C)c1CCCN(C)c1ncc(NS(=O)(=O)c2ccc(C)cc2C)cc1C(=O)[O-]	ZINC000035397771	569688258	/nfs/dbraw/zinc/68/82/58/569688258.db2.gz	YBSJETGYCOMDDG-UHFFFAOYSA-N	-1	0	485.610	3.617	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCCCCC1	ZINC000035399165	569689762	/nfs/dbraw/zinc/68/97/62/569689762.db2.gz	GRFFWAPWWYRDOG-UHFFFAOYSA-N	-1	0	499.633	3.876	50	0		JHAARM
CC(C)Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccccc1	ZINC000072191528	569699935	/nfs/dbraw/zinc/69/99/35/569699935.db2.gz	COSSDZPLDKZWIA-INIZCTEOSA-N	-1	0	481.578	3.854	50	0		JHAARM
O=C(NCc1ccc(-n2cccn2)nc1)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-]	ZINC000078796699	569706745	/nfs/dbraw/zinc/70/67/45/569706745.db2.gz	QAHFYWKAJDFPHO-UHFFFAOYSA-N	-1	0	453.911	3.870	50	0		JHAARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=C1NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000035829514	569713112	/nfs/dbraw/zinc/71/31/12/569713112.db2.gz	CJYJVSZUXYLVGG-ZDLGFXPLSA-N	-1	0	453.842	3.541	50	0		JHAARM
COc1ccc(OC)c(NC(=O)C(=O)C(=C([O-])c2ccccc2F)[C@@H]2OC(=O)c3ccccc32)c1	ZINC000100742154	569768434	/nfs/dbraw/zinc/76/84/34/569768434.db2.gz	SCYNTKUOZGLNSD-XUZZJYLKSA-N	-1	0	477.444	3.761	50	0		JHAARM
O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[N@@H+]3CCCN(c4ncccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036355052	569771879	/nfs/dbraw/zinc/77/18/79/569771879.db2.gz	RKEOZXLPFHMUMW-DEOSSOPVSA-N	-1	0	485.544	3.516	50	0		JHAARM
O=C([O-])c1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(c3ccccn3)CC1)cn2Cc1ccccc1	ZINC000036358944	569772280	/nfs/dbraw/zinc/77/22/80/569772280.db2.gz	HVGZPRJECSQXHR-VWLOTQADSA-N	-1	0	470.529	3.731	50	0		JHAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccc(Cl)c3)CC2)c2ccc(Cl)cc21	ZINC000036360921	569772696	/nfs/dbraw/zinc/77/26/96/569772696.db2.gz	MTVUUUKVZHQGBN-QFIPXVFZSA-N	-1	0	476.360	3.976	50	0		JHAARM
CCOc1ccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5ccc(OC)cc5)c(=O)c3=4)c(C)o2)cc1	ZINC000101180388	569786282	/nfs/dbraw/zinc/78/62/82/569786282.db2.gz	OAWZNLMEVSUZDA-NHCUHLMSSA-N	-1	0	461.478	3.551	50	0		JHAARM
CC(C)Oc1ccc(-c2noc(Cn3[nH][n-]c4c(=O)n(-c5ccc(F)c(Cl)c5)c(=O)c3=4)n2)cc1	ZINC000101262699	569788489	/nfs/dbraw/zinc/78/84/89/569788489.db2.gz	CSIMXYTVCAQPCO-OALUTQOASA-N	-1	0	484.875	3.810	50	0		JHAARM
CC(C)c1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C(F)(F)F)c4)c=3c2=O)cc1	ZINC000101417044	569797408	/nfs/dbraw/zinc/79/74/08/569797408.db2.gz	LWCBTLDTSUMBNK-OALUTQOASA-N	-1	0	459.428	3.761	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C	ZINC000101628055	569801949	/nfs/dbraw/zinc/80/19/49/569801949.db2.gz	UNVCJBUIFIWDKF-OALUTQOASA-N	-1	0	456.564	3.788	50	0		JHAARM
CCc1cccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)c1	ZINC000101628986	569802079	/nfs/dbraw/zinc/80/20/79/569802079.db2.gz	IKWXWMXIQBPTAT-PMACEKPBSA-N	-1	0	456.564	3.734	50	0		JHAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc(C(C)C)cc1	ZINC000101765144	569804243	/nfs/dbraw/zinc/80/42/43/569804243.db2.gz	BXDLCQOGMMJHPW-NRFANRHFSA-N	-1	0	460.534	3.502	50	0		JHAARM
CCOc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2cc(OC)ccc2OC)cc1	ZINC000101836034	569805923	/nfs/dbraw/zinc/80/59/23/569805923.db2.gz	RXCGBMFZEZUMGC-HXUWFJFHSA-N	-1	0	464.478	3.535	50	0		JHAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5Br)no4)c=3c2=O)cc1C	ZINC000101893096	569807470	/nfs/dbraw/zinc/80/74/70/569807470.db2.gz	UPIVQDDKPUPUQN-ROUUACIJSA-N	-1	0	481.310	3.609	50	0		JHAARM
COc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000102290048	569811960	/nfs/dbraw/zinc/81/19/60/569811960.db2.gz	CHUKDFIWMUJMIB-PMACEKPBSA-N	-1	0	456.564	3.788	50	0		JHAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)NC(=O)c2cccs2)c(C)c1	ZINC000040161882	569822948	/nfs/dbraw/zinc/82/29/48/569822948.db2.gz	HVXISGOAJAJFCB-UHFFFAOYSA-N	-1	0	486.571	3.588	50	0		JHAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)c1cccs1)CC2	ZINC000049511045	569848117	/nfs/dbraw/zinc/84/81/17/569848117.db2.gz	CJSVMWWZQALNSM-UHFFFAOYSA-N	-1	0	462.574	3.596	50	0		JHAARM
COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)cc1Cl	ZINC000113481126	569861855	/nfs/dbraw/zinc/86/18/55/569861855.db2.gz	HZVKXNXAKWSDDD-KRWDZBQOSA-N	-1	0	462.911	3.576	50	0		JHAARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc(Cl)cc2c1OCOC2	ZINC000218075121	569882679	/nfs/dbraw/zinc/88/26/79/569882679.db2.gz	SNKNCKUHYXMGLI-CYBMUJFWSA-N	-1	0	456.834	3.971	50	0	biogenic	JHAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3c(sc(=O)n3-c3ccccc3)[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000238950804	570048345	/nfs/dbraw/zinc/04/83/45/570048345.db2.gz	ZQDILCLXKJGWQQ-AKPRGIIDSA-N	-1	0	532.643	3.847	50	0		JHAARM
CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@](C)(C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-])C(C)C	ZINC000253388033	570095386	/nfs/dbraw/zinc/09/53/86/570095386.db2.gz	AQOHICYLWWFGDN-HPBJQMTLSA-N	-1	0	468.660	3.510	50	0	biogenic	JHAARM
COc1cc([C@H](CC(=O)Nc2ccc(F)cc2)c2c([O-])cc(C)oc2=O)c(OC)c2c1OCO2	ZINC000253470763	570098996	/nfs/dbraw/zinc/09/89/96/570098996.db2.gz	CUIJYDQMFAXMFH-HNNXBMFYSA-N	-1	0	471.437	3.700	50	0		JHAARM
COc1ccccc1CNC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c([O-])cc(C)oc1=O	ZINC000263586835	570171970	/nfs/dbraw/zinc/17/19/70/570171970.db2.gz	YKONQSBRONLIIB-GOSISDBHSA-N	-1	0	483.517	3.527	50	0	biogenic	JHAARM
O=C(OCc1ccccc1)c1cnc(=NNS(=O)(=O)c2ccc(Cl)cc2)[n-]c1C(F)(F)F	ZINC000001026969	194005205	/nfs/dbraw/zinc/00/52/05/194005205.db2.gz	PLGOJERZBYIHLQ-UHFFFAOYSA-N	-1	0	486.859	3.811	50	0		JHAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C)c3)cc2)c1	ZINC000001119550	194032648	/nfs/dbraw/zinc/03/26/48/194032648.db2.gz	KGHOZLMXOPGVHG-UHFFFAOYSA-N	-1	0	492.575	3.622	50	0		JHAARM
COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cnc4ccccc4n3)cc2)cc(OC)c1OC	ZINC000001200876	194068556	/nfs/dbraw/zinc/06/85/56/194068556.db2.gz	RSQFXSYQTSPIET-UHFFFAOYSA-N	-1	0	494.529	3.709	50	0		JHAARM
COc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc(C(=O)[O-])c2)C(Cl)(Cl)Cl)cc1	ZINC000001232183	194077032	/nfs/dbraw/zinc/07/70/32/194077032.db2.gz	ZPODBWPRKGIUEJ-INIZCTEOSA-N	-1	0	476.769	3.806	50	0		JHAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccccc4F)CC3)cc21	ZINC000001292246	194081759	/nfs/dbraw/zinc/08/17/59/194081759.db2.gz	IQRIDGFPYRSRED-UHFFFAOYSA-N	-1	0	472.517	3.517	50	0		JHAARM
Cc1[nH]c2ccccc2c1[C@@H]1C(=O)NC(c2ccccc2)=NN1C(=O)c1ccccc1C(=O)[O-]	ZINC000001432426	194120057	/nfs/dbraw/zinc/12/00/57/194120057.db2.gz	ATCVZOKNFRNTTG-JOCHJYFZSA-N	-1	0	452.470	3.850	50	0		JHAARM
O=C([N-]S(=O)(=O)c1ccc(F)cc1F)Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1	ZINC000001421845	194118019	/nfs/dbraw/zinc/11/80/19/194118019.db2.gz	AMKJMCQPPQFDDR-UHFFFAOYSA-N	-1	0	458.368	3.951	50	0		JHAARM
CCc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)[O-])cc1	ZINC000001786943	194140061	/nfs/dbraw/zinc/14/00/61/194140061.db2.gz	BMRBVRCSVFQNPL-YADHBBJMSA-N	-1	0	461.470	3.723	50	0		JHAARM
Cc1cc(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c2c(c1)oc(=O)c1c2CCCC1	ZINC000002125280	194157124	/nfs/dbraw/zinc/15/71/24/194157124.db2.gz	VFTFPHPJMSJPID-IBGZPJMESA-N	-1	0	469.921	3.825	50	0	biogenic	JHAARM
COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(=O)CCC(=O)[O-])nn32)cc1	ZINC000002253374	194158936	/nfs/dbraw/zinc/15/89/36/194158936.db2.gz	PXQOOBNYCYSALL-SFHVURJKSA-N	-1	0	453.886	3.799	50	0		JHAARM
Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(=O)[O-])cc1	ZINC000002925622	194171405	/nfs/dbraw/zinc/17/14/05/194171405.db2.gz	ZNZJAHSGBFZNNR-UHFFFAOYSA-N	-1	0	459.593	3.820	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(NC(=O)C(F)(F)F)c1	ZINC000003117441	194228048	/nfs/dbraw/zinc/22/80/48/194228048.db2.gz	UONIUEMWTICDAM-UHFFFAOYSA-N	-1	0	470.454	3.697	50	0		JHAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1	ZINC000003832752	194362328	/nfs/dbraw/zinc/36/23/28/194362328.db2.gz	FKCIEVODWCKQQV-UHFFFAOYSA-N	-1	0	488.525	3.769	50	0		JHAARM
O=C([O-])CSc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1	ZINC000004168672	194382539	/nfs/dbraw/zinc/38/25/39/194382539.db2.gz	LNLKXFXRDLLYRM-UHFFFAOYSA-N	-1	0	457.309	3.511	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)NCCC(C)C)cc1	ZINC000009223854	194609935	/nfs/dbraw/zinc/60/99/35/194609935.db2.gz	ZCUPCQAMGCLZIF-UHFFFAOYSA-N	-1	0	450.557	3.679	50	0		JHAARM
O=C([O-])CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1Cl	ZINC000009260839	194643130	/nfs/dbraw/zinc/64/31/30/194643130.db2.gz	MMJXMQUEUSMXNF-IBGZPJMESA-N	-1	0	451.704	3.837	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)c1	ZINC000009957312	195037053	/nfs/dbraw/zinc/03/70/53/195037053.db2.gz	XYOKRQZNLSUABW-KRWDZBQOSA-N	-1	0	467.547	3.561	50	0		JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)nc(C)n1	ZINC000012605233	195050613	/nfs/dbraw/zinc/05/06/13/195050613.db2.gz	RDZDPAYHQLHRKZ-OAQYLSRUSA-N	-1	0	482.562	3.704	50	0		JHAARM
C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000012605538	195050909	/nfs/dbraw/zinc/05/09/09/195050909.db2.gz	TVCLJQMJZPLVGE-LBPRGKRZSA-N	-1	0	483.497	3.811	50	0		JHAARM
C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000012605536	195050942	/nfs/dbraw/zinc/05/09/42/195050942.db2.gz	TVCLJQMJZPLVGE-GFCCVEGCSA-N	-1	0	483.497	3.811	50	0		JHAARM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1	ZINC000012630679	195062535	/nfs/dbraw/zinc/06/25/35/195062535.db2.gz	VZRVNJXQNOZIJI-UHFFFAOYSA-N	-1	0	464.465	3.886	50	0		JHAARM
O=C([O-])C1(c2ccccc2)CCN(C(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CC1	ZINC000012771526	195118032	/nfs/dbraw/zinc/11/80/32/195118032.db2.gz	XDKSLBUOXYCKNW-UHFFFAOYSA-N	-1	0	453.498	3.644	50	0		JHAARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1cnn2c1nc(C1CC1)cc2C(F)F)CCCC3	ZINC000020615748	195187612	/nfs/dbraw/zinc/18/76/12/195187612.db2.gz	ONCFBXMYTWOPLB-UHFFFAOYSA-N	-1	0	470.505	3.887	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCC(C)CC2)cc1Cl	ZINC000021030492	195269659	/nfs/dbraw/zinc/26/96/59/195269659.db2.gz	JWROJKJHODVRGZ-UHFFFAOYSA-N	-1	0	453.992	3.977	50	0		JHAARM
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(F)cc3F)[n-]c2=O)cc1Cl	ZINC000021089267	195274036	/nfs/dbraw/zinc/27/40/36/195274036.db2.gz	JWEZGNJZDFUJQV-UHFFFAOYSA-N	-1	0	485.921	3.574	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2)n1	ZINC000021785292	195321276	/nfs/dbraw/zinc/32/12/76/195321276.db2.gz	ULDPUJDRJTVTNW-UHFFFAOYSA-N	-1	0	465.560	3.891	50	0		JHAARM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1-n1cccc1)c1ccc(S(=O)(=O)NC2CC2)cc1	ZINC000062626121	195428325	/nfs/dbraw/zinc/42/83/25/195428325.db2.gz	KZNVUVLOLWTWKH-UHFFFAOYSA-N	-1	0	485.509	3.738	50	0		JHAARM
Cc1c(C(=O)[O-])nn(C(C)(C)C)c1Oc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)NCC(C)C	ZINC000096317713	130062037	/nfs/dbraw/zinc/06/20/37/130062037.db2.gz	ORWGSJQEPYAFLK-UHFFFAOYSA-N	-1	0	494.614	3.966	50	0		JHAARM
COC(=O)c1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(OC)cc3)[C@@H]2C(=O)[O-])cc1	ZINC000096318978	130064223	/nfs/dbraw/zinc/06/42/23/130064223.db2.gz	QBIOBPVFAVEUJK-BBWFWOEESA-N	-1	0	457.529	3.911	50	0		JHAARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C(F)(F)F)cc2)CC1	ZINC000016690235	520957338	/nfs/dbraw/zinc/95/73/38/520957338.db2.gz	ITSOUBVPWFTBIK-MRXNPFEDSA-N	-1	0	483.516	3.941	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)ccc2OC)cc1	ZINC000033255771	521131448	/nfs/dbraw/zinc/13/14/48/521131448.db2.gz	SXWWBAGNIXCBBF-PMACEKPBSA-N	-1	0	472.563	3.570	50	0		JHAARM
CCOC(=O)[C@H]1CCCN(c2ccc(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc2C(=O)[O-])C1	ZINC000033253391	521303461	/nfs/dbraw/zinc/30/34/61/521303461.db2.gz	BYQKFJWWEBLORR-IBGZPJMESA-N	-1	0	486.590	3.844	50	0		JHAARM
COC(=O)c1c2c(sc1[N-]S(C)(=O)=O)CN(c1ncc(C(F)(F)F)cc1Cl)CC2	ZINC000020365208	521786684	/nfs/dbraw/zinc/78/66/84/521786684.db2.gz	NOBLAZWIYYSPIF-UHFFFAOYSA-N	-1	0	469.894	3.536	50	0		JHAARM
COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)nc1C	ZINC000024193055	522423751	/nfs/dbraw/zinc/42/37/51/522423751.db2.gz	RVMNGTUGXVSKEA-KRWDZBQOSA-N	-1	0	484.555	3.878	50	0		JHAARM
COc1cc(NC(=O)[C@H](C)Sc2nnc(-c3cc(C)ccc3NC(C)=O)c(=O)[n-]2)cc(OC)c1	ZINC000021882675	522713309	/nfs/dbraw/zinc/71/33/09/522713309.db2.gz	IDNCCIHAKQFJCM-ZDUSSCGKSA-N	-1	0	483.550	3.648	50	0		JHAARM
CCc1noc(NC(C)=O)c1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)c1	ZINC000065116091	522901223	/nfs/dbraw/zinc/90/12/23/522901223.db2.gz	VPXDMGXADXIYLR-UHFFFAOYSA-N	-1	0	475.523	3.689	50	0		JHAARM
COc1cc([C@H](c2sc3ncnn3c2[O-])N2CCN(c3ccccc3F)CC2)cc(OC)c1OC	ZINC000022610001	522953054	/nfs/dbraw/zinc/95/30/54/522953054.db2.gz	LEABNHFDUKQTQY-HXUWFJFHSA-N	-1	0	499.568	3.573	50	0		JHAARM
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(I)c1OCc1ccccc1	ZINC000015685925	522963485	/nfs/dbraw/zinc/96/34/85/522963485.db2.gz	CQKDPIIHOFOIQX-PBHICJAKSA-N	-1	0	471.316	3.667	50	0		JHAARM
COc1ccc(-c2c(C)nn3c2NC(=O)CCC3=O)cc1S(=O)(=O)[N-]c1cccc2c1CCCC2	ZINC000033123247	523077186	/nfs/dbraw/zinc/07/71/86/523077186.db2.gz	KOLHVYVIVDGSKN-UHFFFAOYSA-N	-1	0	494.573	3.919	50	0		JHAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1c2oc(C(=O)N3CCOCC3)c(C)c2cc(C)c1C	ZINC000065010866	523843616	/nfs/dbraw/zinc/84/36/16/523843616.db2.gz	GKHQYBGPPVYSPY-UHFFFAOYSA-N	-1	0	472.563	3.948	50	0		JHAARM
CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1	ZINC000013579057	524063167	/nfs/dbraw/zinc/06/31/67/524063167.db2.gz	ZWZQUIXNKPIKLD-LEWJYISDSA-N	-1	0	464.518	3.958	50	0		JHAARM
Cc1cccc(N2CCN(c3ncc(NS(=O)(=O)c4cccc(C)c4)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883383	524563122	/nfs/dbraw/zinc/56/31/22/524563122.db2.gz	LIZUGEFEXFCHNV-IBGZPJMESA-N	-1	0	480.590	3.913	50	0		JHAARM
COc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Cl	ZINC000022624019	524645064	/nfs/dbraw/zinc/64/50/64/524645064.db2.gz	AINHLHNYFNKKRF-UHFFFAOYSA-N	-1	0	472.910	3.571	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)c(OC)c1	ZINC000033170984	524688218	/nfs/dbraw/zinc/68/82/18/524688218.db2.gz	HMBQZWPSXVBWFJ-GHXNOFRVSA-N	-1	0	457.508	3.930	50	0		JHAARM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(F)c(C)c2)n(C)c(=O)n3C)cc1	ZINC000046009522	524991887	/nfs/dbraw/zinc/99/18/87/524991887.db2.gz	UPSHZHCLJKLCHT-UHFFFAOYSA-N	-1	0	471.510	3.926	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCN(Cc4cccc(F)c4)CC3)c(C(=O)[O-])c2)cc1	ZINC000033253218	525083139	/nfs/dbraw/zinc/08/31/39/525083139.db2.gz	FNEYCUZMQQMNBK-UHFFFAOYSA-N	-1	0	499.564	3.656	50	0		JHAARM
CSCC[C@H](NC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O)C(=O)[O-]	ZINC000012296432	525587184	/nfs/dbraw/zinc/58/71/84/525587184.db2.gz	TXQCLHAUCBVQDV-SFHVURJKSA-N	-1	0	457.504	3.595	50	0	biogenic	JHAARM
Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000006173451	525592355	/nfs/dbraw/zinc/59/23/55/525592355.db2.gz	FWLPAYHOOHJGSL-UHFFFAOYSA-N	-1	0	459.837	3.838	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C3=C(c4ccccc4)SCCO3)cc2)n1	ZINC000012324139	525695859	/nfs/dbraw/zinc/69/58/59/525695859.db2.gz	YTEXLYWPWUVZAQ-UHFFFAOYSA-N	-1	0	468.560	3.657	50	0		JHAARM
Cc1ccc(-c2noc(CCC(=O)Nc3ccc4nc([N-]S(C)(=O)=O)sc4c3)n2)cc1	ZINC000021883079	525875170	/nfs/dbraw/zinc/87/51/70/525875170.db2.gz	RNGAXQPKAFQECV-UHFFFAOYSA-N	-1	0	457.537	3.598	50	0		JHAARM
C[C@H](Sc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000022572255	525989148	/nfs/dbraw/zinc/98/91/48/525989148.db2.gz	WGIKUPVHJXMUIL-AWEZNQCLSA-N	-1	0	463.515	3.855	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)cn2CC(=O)N2CCCCC2)n1	ZINC000033307644	526300181	/nfs/dbraw/zinc/30/01/81/526300181.db2.gz	XWTDEWGTCWQZOI-UHFFFAOYSA-N	-1	0	462.572	3.872	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cn2CC(=O)N2CCCC2)n1	ZINC000033307565	526300645	/nfs/dbraw/zinc/30/06/45/526300645.db2.gz	SYVUYYADBQAERU-UHFFFAOYSA-N	-1	0	462.572	3.791	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)cn2CC(=O)N2CCCC2)n1	ZINC000033307571	526300982	/nfs/dbraw/zinc/30/09/82/526300982.db2.gz	BKLSYJUDTRCQCR-UHFFFAOYSA-N	-1	0	466.535	3.621	50	0		JHAARM
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cn2CC(=O)N2CCCC2)n1	ZINC000033307556	526301128	/nfs/dbraw/zinc/30/11/28/526301128.db2.gz	QZQYASIKQJBSLO-UHFFFAOYSA-N	-1	0	458.609	3.960	50	0		JHAARM
O=C(NCc1nnc2ccccn21)c1ccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1	ZINC000009378514	526836928	/nfs/dbraw/zinc/83/69/28/526836928.db2.gz	ZHXRWSYGEVPQSF-UHFFFAOYSA-N	-1	0	482.374	3.828	50	0		JHAARM
O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@@H]1O	ZINC000043772267	527573316	/nfs/dbraw/zinc/57/33/16/527573316.db2.gz	WWSWYXNVCBLWNZ-HBWANGNJSA-N	-1	0	458.473	3.560	50	0	in-vitro	JHAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2C(C)C)c(S(=O)(=O)NC(C)C)c1	ZINC000096317909	535464267	/nfs/dbraw/zinc/46/42/67/535464267.db2.gz	PWTXBZAZXHVSBN-CQSZACIVSA-N	-1	0	480.587	3.934	50	0		JHAARM
CC[C@@H](C)C(=O)Nc1ccc(Oc2c(C)c(C(=O)[O-])nn2CC)c(S(=O)(=O)NC(C)(C)C)c1	ZINC000096317860	535464644	/nfs/dbraw/zinc/46/46/44/535464644.db2.gz	IXJMWIQJIUBOSI-CYBMUJFWSA-N	-1	0	480.587	3.763	50	0		JHAARM
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(Cl)c(OCC(=O)[O-])c(OCC)c1	ZINC000000689016	553758603	/nfs/dbraw/zinc/75/86/03/553758603.db2.gz	ORCUSIWZGBJVJJ-UHFFFAOYSA-N	-1	0	481.929	3.563	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1I	ZINC000000705497	553763518	/nfs/dbraw/zinc/76/35/18/553763518.db2.gz	IRDROAQAELEVLG-UHFFFAOYSA-N	-1	0	485.328	3.801	50	0		JHAARM
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000000805280	553784561	/nfs/dbraw/zinc/78/45/61/553784561.db2.gz	JMEKHDMPTNZWNG-ZROIWOOFSA-N	-1	0	491.718	3.998	50	0		JHAARM
Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1	ZINC000000956494	553884209	/nfs/dbraw/zinc/88/42/09/553884209.db2.gz	LBLUTOJRCJFKCR-UHFFFAOYSA-N	-1	0	454.552	3.837	50	0		JHAARM
NC(=O)c1c([N-]C(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)sc2c1CCCC2	ZINC000000978332	553889983	/nfs/dbraw/zinc/88/99/83/553889983.db2.gz	QIDSZPOUWOCUHM-UHFFFAOYSA-N	-1	0	466.407	3.784	50	0		JHAARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2)s1	ZINC000001154583	553918210	/nfs/dbraw/zinc/91/82/10/553918210.db2.gz	NZCBXTUYXNUMKN-UHFFFAOYSA-N	-1	0	466.972	3.881	50	0		JHAARM
COc1ccc(C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])c2ccc(Cl)cc2)cc1OC	ZINC000001896404	554001676	/nfs/dbraw/zinc/00/16/76/554001676.db2.gz	NXSBVCGZBRRWPU-LAUBAEHRSA-N	-1	0	465.955	3.994	50	0		JHAARM
CC(C)NS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Br)cc3)sc2c1	ZINC000001917497	554004593	/nfs/dbraw/zinc/00/45/93/554004593.db2.gz	ACKBBYLDUJUGDY-UHFFFAOYSA-N	-1	0	490.426	3.546	50	0		JHAARM
CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)COc1ccccc1)C(F)(F)F	ZINC000002050061	554010141	/nfs/dbraw/zinc/01/01/41/554010141.db2.gz	RQGUNROPSKIIRC-IBGZPJMESA-N	-1	0	453.442	3.725	50	0		JHAARM
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c12	ZINC000002114992	554053087	/nfs/dbraw/zinc/05/30/87/554053087.db2.gz	MYKJUCLXXDOUIN-FQEVSTJZSA-N	-1	0	462.502	3.726	50	0	biogenic	JHAARM
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](Cc3c[nH]c4ccc(O)cc34)C(=O)[O-])c(Cl)cc12	ZINC000002136788	554062024	/nfs/dbraw/zinc/06/20/24/554062024.db2.gz	PAJYZTOAWHRLFC-BLVKFPJESA-N	-1	0	484.892	3.521	50	0	biogenic	JHAARM
COc1ccccc1C(=O)N/C(=C\c1ccc(Br)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000002283109	554131952	/nfs/dbraw/zinc/13/19/52/554131952.db2.gz	PHJJXXSKPAHAGV-LJLZWOEMSA-N	-1	0	489.366	3.844	50	0		JHAARM
COc1ccc(-n2c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nnc2-c2ccco2)cc1	ZINC000002324292	554148464	/nfs/dbraw/zinc/14/84/64/554148464.db2.gz	OQFBBASXLBMLBT-UHFFFAOYSA-N	-1	0	450.476	3.965	50	0		JHAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1Cl	ZINC000002370696	554170088	/nfs/dbraw/zinc/17/00/88/554170088.db2.gz	UOMMHFUOWCCQNT-UHFFFAOYSA-N	-1	0	452.970	3.724	50	0		JHAARM
CS(=O)(=O)N1CCC(c2nnc([N-]c3ccn(Cc4c(Cl)cccc4Cl)n3)s2)CC1	ZINC000002731109	554315288	/nfs/dbraw/zinc/31/52/88/554315288.db2.gz	UOORNYOXAWCFPT-UHFFFAOYSA-N	-1	0	487.438	3.972	50	0		JHAARM
O=C(CSc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000002841842	554373362	/nfs/dbraw/zinc/37/33/62/554373362.db2.gz	OABMYAYUBKDDJW-UHFFFAOYSA-N	-1	0	457.562	3.618	50	0		JHAARM
CCN(CCCNC(=O)CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)c1cccc(C)c1	ZINC000002975311	554415272	/nfs/dbraw/zinc/41/52/72/554415272.db2.gz	QJACKNKJZKQFCX-UHFFFAOYSA-N	-1	0	468.579	3.519	50	0		JHAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1	ZINC000006245293	554521755	/nfs/dbraw/zinc/52/17/55/554521755.db2.gz	QBPFIRQHWBQZAY-GOSISDBHSA-N	-1	0	482.558	3.920	50	0		JHAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000008438900	554589955	/nfs/dbraw/zinc/58/99/55/554589955.db2.gz	REHYJHGSLSCELU-WOJBJXKFSA-N	-1	0	453.514	3.618	50	0		JHAARM
O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000008741787	554644415	/nfs/dbraw/zinc/64/44/15/554644415.db2.gz	HUULPMZFKSWNQA-MZKRTTBSSA-N	-1	0	471.435	3.765	50	0		JHAARM
CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2O1	ZINC000008764441	554664940	/nfs/dbraw/zinc/66/49/40/554664940.db2.gz	FDRVVAVFTDUHLG-AWEZNQCLSA-N	-1	0	461.898	3.543	50	0	biogenic	JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1	ZINC000008778964	554675715	/nfs/dbraw/zinc/67/57/15/554675715.db2.gz	NBUAJDWFMLMVEY-KRWDZBQOSA-N	-1	0	495.557	3.731	50	0		JHAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000008815778	554697393	/nfs/dbraw/zinc/69/73/93/554697393.db2.gz	VWVQAIVKCRFKMG-PZUDMAOCSA-N	-1	0	484.530	3.839	50	0		JHAARM
CCCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)NCCC(=O)[O-]	ZINC000008876278	554771524	/nfs/dbraw/zinc/77/15/24/554771524.db2.gz	ZFQYZAPTZBDCHJ-OAQYLSRUSA-N	-1	0	498.576	3.971	50	0	biogenic	JHAARM
Cc1cc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)ccc1Br	ZINC000009153261	554942405	/nfs/dbraw/zinc/94/24/05/554942405.db2.gz	JRNDHMKMXFDBQK-UHFFFAOYSA-N	-1	0	492.376	3.811	50	0		JHAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(C2CC2)nn1-c1ccccc1	ZINC000009245028	555020663	/nfs/dbraw/zinc/02/06/63/555020663.db2.gz	VBCZYHOHACQTMR-UHFFFAOYSA-N	-1	0	460.519	3.593	50	0		JHAARM
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O	ZINC000009260998	555035806	/nfs/dbraw/zinc/03/58/06/555035806.db2.gz	DOPDOXGVVPXXDS-BXUJETTOSA-N	-1	0	455.488	3.952	50	0		JHAARM
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1ccc2c(c1)CCC2	ZINC000009283571	555054907	/nfs/dbraw/zinc/05/49/07/555054907.db2.gz	YKFOLSLTQOLGSC-UHFFFAOYSA-N	-1	0	468.506	3.911	50	0		JHAARM
CN(C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F)C1CCCCC1	ZINC000009335471	555102973	/nfs/dbraw/zinc/10/29/73/555102973.db2.gz	AEBRTJOACSFHOF-UHFFFAOYSA-N	-1	0	466.506	3.714	50	0		JHAARM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)ccc2Cl)cc1	ZINC000009356431	555121578	/nfs/dbraw/zinc/12/15/78/555121578.db2.gz	FJWCUOVKFJVTJD-UHFFFAOYSA-N	-1	0	484.965	3.892	50	0		JHAARM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1	ZINC000009491655	555269565	/nfs/dbraw/zinc/26/95/65/555269565.db2.gz	OQRNPYKHQQFIMN-INIZCTEOSA-N	-1	0	467.547	3.945	50	0		JHAARM
COC(=O)[C@H](NC(=O)C1=C(C(=O)[O-])CCCC1)c1ccc(OCc2ccccc2)c(OC)c1	ZINC000009553657	555350019	/nfs/dbraw/zinc/35/00/19/555350019.db2.gz	JHSZCZPECRNZLH-JOCHJYFZSA-N	-1	0	453.491	3.560	50	0		JHAARM
CC(C)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Br)cc4)c(=O)c2=3)cc1	ZINC000009674818	555400174	/nfs/dbraw/zinc/40/01/74/555400174.db2.gz	MASLWBOKCGOADB-MOPGFXCFSA-N	-1	0	470.327	3.504	50	0		JHAARM
Cc1cccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2O)c1	ZINC000009590924	555404014	/nfs/dbraw/zinc/40/40/14/555404014.db2.gz	GFOCRCKRDDYWJB-UHFFFAOYSA-N	-1	0	452.941	3.956	50	0		JHAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1	ZINC000009715055	555446131	/nfs/dbraw/zinc/44/61/31/555446131.db2.gz	CMIPZFCCWZUAHQ-UHFFFAOYSA-N	-1	0	451.504	3.512	50	0		JHAARM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C/c1ccc(NC(C)=O)cc1)NC(=O)c1ccccc1	ZINC000013575777	555514686	/nfs/dbraw/zinc/51/46/86/555514686.db2.gz	PQRINVHDPBCSJX-HMAPJEAMSA-N	-1	0	473.485	3.761	50	0		JHAARM
COc1ccc2nc([N-]S(=O)(=O)c3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1	ZINC000009858043	555559324	/nfs/dbraw/zinc/55/93/24/555559324.db2.gz	DKLLTBCENNEQNX-UHFFFAOYSA-N	-1	0	475.574	3.766	50	0		JHAARM
O=C(NCCc1ccc(O)cc1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000013731502	555603765	/nfs/dbraw/zinc/60/37/65/555603765.db2.gz	QKRAHWFXGCXDKA-UHFFFAOYSA-N	-1	0	471.535	3.914	50	0		JHAARM
COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCc3ccccc3C2)cc(OC)c1OC	ZINC000020216024	555711832	/nfs/dbraw/zinc/71/18/32/555711832.db2.gz	GQNFXFBJSJGNCY-FQEVSTJZSA-N	-1	0	466.563	3.978	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCCCC(=O)NCc4cccnc4)c3=O)c2c1	ZINC000020329041	555775190	/nfs/dbraw/zinc/77/51/90/555775190.db2.gz	QGEOZRJYOKZCBJ-UHFFFAOYSA-N	-1	0	451.552	3.821	50	0		JHAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCCc4ccc(C)cc4)c3=O)c2c1	ZINC000020330609	555775965	/nfs/dbraw/zinc/77/59/65/555775965.db2.gz	OARGFPGFPOFGLD-UHFFFAOYSA-N	-1	0	450.564	3.997	50	0		JHAARM
COc1cc([N-]S(=O)(=O)c2ccc(I)cc2)c(OC)cc1Cl	ZINC000011613736	555790476	/nfs/dbraw/zinc/79/04/76/555790476.db2.gz	ZRPJGEZNZKKCAV-UHFFFAOYSA-N	-1	0	453.685	3.763	50	0		JHAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@H](C)n3c4ccccc4oc3=O)ccc2OC)cc1	ZINC000014329999	555794925	/nfs/dbraw/zinc/79/49/25/555794925.db2.gz	GCXUYZZNIUAJEP-HNNXBMFYSA-N	-1	0	497.529	3.612	50	0		JHAARM
COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000014367885	555800413	/nfs/dbraw/zinc/80/04/13/555800413.db2.gz	IRTUIMQFJCOLES-FPTDNZKUSA-N	-1	0	472.494	3.802	50	0		JHAARM
O=C([O-])c1cccc(-c2ccc(/C=c3\sc4nc5cc(Br)cnc5n4c3=O)o2)c1	ZINC000022033613	555864904	/nfs/dbraw/zinc/86/49/04/555864904.db2.gz	KWFGIIZRQHWIOY-PXNMLYILSA-N	-1	0	468.288	3.573	50	0		JHAARM
CCOc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OCC(N)=O	ZINC000015107486	555877711	/nfs/dbraw/zinc/87/77/11/555877711.db2.gz	NDMHSLXMLPOTFK-OAHLLOKOSA-N	-1	0	466.515	3.850	50	0		JHAARM
CCOc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)ccc1OCC(N)=O	ZINC000015107483	555877715	/nfs/dbraw/zinc/87/77/15/555877715.db2.gz	NDMHSLXMLPOTFK-HNNXBMFYSA-N	-1	0	466.515	3.850	50	0		JHAARM
CCOC(=O)c1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)c(=O)[n-]1)CCCC2	ZINC000011990958	555877854	/nfs/dbraw/zinc/87/78/54/555877854.db2.gz	MSMPIRUKWPMDCS-UHFFFAOYSA-N	-1	0	470.576	3.680	50	0		JHAARM
COCc1cc(C)nc2sc3c(c21)N[C@H](c1c2cc(OC)c(OC)cc2[nH]c1C(=O)[O-])NC3=O	ZINC000015108028	555877924	/nfs/dbraw/zinc/87/79/24/555877924.db2.gz	SJYJKNJONZPYJA-FQEVSTJZSA-N	-1	0	482.518	3.802	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)N3CCC[C@H](C)C3)nc2c1	ZINC000015221480	555885166	/nfs/dbraw/zinc/88/51/66/555885166.db2.gz	YWSSFAALFVOCOW-HNNXBMFYSA-N	-1	0	475.592	3.988	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341896	555953866	/nfs/dbraw/zinc/95/38/66/555953866.db2.gz	AVEBRCROSVAQBY-HXUWFJFHSA-N	-1	0	465.579	3.762	50	0		JHAARM
CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341875	555953885	/nfs/dbraw/zinc/95/38/85/555953885.db2.gz	YPXRUSDSUAAXNW-GOSISDBHSA-N	-1	0	471.970	3.853	50	0		JHAARM
CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(C(=O)c4ccco4)CC3)c([O-])n2n1	ZINC000012341894	555953925	/nfs/dbraw/zinc/95/39/25/555953925.db2.gz	YFPUCHFRNPTYEX-IBGZPJMESA-N	-1	0	451.552	3.508	50	0		JHAARM
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Br)C(=O)[O-]	ZINC000015721346	555955528	/nfs/dbraw/zinc/95/55/28/555955528.db2.gz	IBYVEZVZHJKJOU-HNNXBMFYSA-N	-1	0	459.337	3.824	50	0		JHAARM
COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1[N-]S(=O)(=O)c1cccnc1Cl	ZINC000012532670	556003702	/nfs/dbraw/zinc/00/37/02/556003702.db2.gz	ONRIUAHKUCWGDF-UHFFFAOYSA-N	-1	0	488.374	3.999	50	0		JHAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Br)cc5)no4)c=3c2=O)cc1	ZINC000023125898	556014325	/nfs/dbraw/zinc/01/43/25/556014325.db2.gz	HJPKJXBHDCJOLN-QZTJIDSGSA-N	-1	0	481.310	3.555	50	0		JHAARM
CCc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=O)c(S(=O)(=O)c1ccc(OC)cc1)c2[O-]	ZINC000015936369	556073794	/nfs/dbraw/zinc/07/37/94/556073794.db2.gz	NDNWACDJTBGLGN-UHFFFAOYSA-N	-1	0	478.526	3.890	50	0		JHAARM
CCCCCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1	ZINC000024582773	556137055	/nfs/dbraw/zinc/13/70/55/556137055.db2.gz	CPXUTWNZVYETID-UHFFFAOYSA-N	-1	0	461.584	3.851	50	0		JHAARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2F)C1=O	ZINC000016534123	556142374	/nfs/dbraw/zinc/14/23/74/556142374.db2.gz	OUEUEMNQFZUCJU-ZDLGFXPLSA-N	-1	0	456.861	3.610	50	0		JHAARM
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1	ZINC000016847672	556169293	/nfs/dbraw/zinc/16/92/93/556169293.db2.gz	GZVMWDATIMGSAV-UHFFFAOYSA-N	-1	0	455.478	3.585	50	0		JHAARM
COc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4ccc(F)cc4F)ccc32)cc1	ZINC000016954491	556185706	/nfs/dbraw/zinc/18/57/06/556185706.db2.gz	KCKQHHYFJUPVPK-UHFFFAOYSA-N	-1	0	494.541	3.916	50	0		JHAARM
COc1ccccc1OCC(=O)Nc1cc(C)nn1-c1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1	ZINC000017053511	556214043	/nfs/dbraw/zinc/21/40/43/556214043.db2.gz	ZEQNQJKJUJGVSW-UHFFFAOYSA-N	-1	0	499.531	3.658	50	0		JHAARM
CCOC(=O)c1sc(NC(=O)Nc2sc([N-]S(=O)(=O)c3ccccc3)nc2C)nc1C	ZINC000017180371	556234866	/nfs/dbraw/zinc/23/48/66/556234866.db2.gz	SWPCLQLUTPQYSO-UHFFFAOYSA-N	-1	0	481.581	3.838	50	0		JHAARM
Cc1cc(CNC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1F	ZINC000026054955	556240583	/nfs/dbraw/zinc/24/05/83/556240583.db2.gz	CUKYHVMRDMYMMG-UHFFFAOYSA-N	-1	0	456.495	3.636	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3Cl)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000018166071	556297345	/nfs/dbraw/zinc/29/73/45/556297345.db2.gz	SATMQKXJAPUZDC-JKSUJKDBSA-N	-1	0	452.685	3.579	50	0		JHAARM
CCOC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)C1	ZINC000013100544	556299821	/nfs/dbraw/zinc/29/98/21/556299821.db2.gz	JRLUUFLSTAZDMM-QGZVFWFLSA-N	-1	0	454.552	3.519	50	0		JHAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)cc2)n1	ZINC000027749654	556305652	/nfs/dbraw/zinc/30/56/52/556305652.db2.gz	YSGIQCBRNFPECO-HNNXBMFYSA-N	-1	0	491.529	3.817	50	0		JHAARM
CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)C1=O	ZINC000018206390	556309721	/nfs/dbraw/zinc/30/97/21/556309721.db2.gz	UMSGKXNGFQQPBG-VWLOTQADSA-N	-1	0	473.558	3.957	50	0		JHAARM
Cc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4nc(C)cc(C)n4)cc3)n[nH]2)c1	ZINC000013121832	556338933	/nfs/dbraw/zinc/33/89/33/556338933.db2.gz	VHKNTWVPKWHNTB-UHFFFAOYSA-N	-1	0	478.534	3.551	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1	ZINC000029570729	556353457	/nfs/dbraw/zinc/35/34/57/556353457.db2.gz	GFGHMXRSDVNLOZ-UHFFFAOYSA-N	-1	0	462.531	3.863	50	0		JHAARM
O=C([O-])CCC(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4cccc(Cl)c4)CC3)c2c1	ZINC000031817686	556407705	/nfs/dbraw/zinc/40/77/05/556407705.db2.gz	GLONQFTWNGOHQU-HSZRJFAPSA-N	-1	0	484.940	3.573	50	0		JHAARM
CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccccc1-c1nnc2n1CCCCC2	ZINC000032899950	556527804	/nfs/dbraw/zinc/52/78/04/556527804.db2.gz	NIJLJEWVWNFTKF-UHFFFAOYSA-N	-1	0	469.567	3.829	50	0		JHAARM
COc1cccc(-n2c3nc(SCC(=O)NCc4ccccc4)[n-]c(=O)c3sc2=S)c1	ZINC000032948261	556563162	/nfs/dbraw/zinc/56/31/62/556563162.db2.gz	GGQMNDYTJGKZLW-UHFFFAOYSA-N	-1	0	470.601	3.922	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccc(F)cc3)CC2)cc1	ZINC000032961742	556579050	/nfs/dbraw/zinc/57/90/50/556579050.db2.gz	NNBYGSDNIXHNIK-UHFFFAOYSA-N	-1	0	497.548	3.854	50	0		JHAARM
CC(=O)c1ccc(N2CCN(c3ccc(C(=O)[O-])cc3NS(=O)(=O)c3ccccc3)CC2)cc1	ZINC000032961743	556579076	/nfs/dbraw/zinc/57/90/76/556579076.db2.gz	LSMSCMWDTHBSPU-UHFFFAOYSA-N	-1	0	479.558	3.715	50	0		JHAARM
O=C([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1	ZINC000032961821	556579103	/nfs/dbraw/zinc/57/91/03/556579103.db2.gz	SVZNPVDWLQKRAO-UHFFFAOYSA-N	-1	0	479.549	3.919	50	0		JHAARM
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(C(C)C)cc2)CC1	ZINC000032961843	556579438	/nfs/dbraw/zinc/57/94/38/556579438.db2.gz	MOWMQCSQVLUGBF-UHFFFAOYSA-N	-1	0	475.567	3.588	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(c3ccc(F)cc3)CC2)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1	ZINC000032961912	556579641	/nfs/dbraw/zinc/57/96/41/556579641.db2.gz	VPDRHBJIZXFVOW-UHFFFAOYSA-N	-1	0	491.491	3.930	50	0		JHAARM
COc1ccccc1N1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2cccc(F)c2)CC1	ZINC000032961928	556580024	/nfs/dbraw/zinc/58/00/24/556580024.db2.gz	GNJMWJOOGGLGSL-UHFFFAOYSA-N	-1	0	485.537	3.660	50	0		JHAARM
Cc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000001115822	562919770	/nfs/dbraw/zinc/91/97/70/562919770.db2.gz	NMQGWSIHJBGHRW-LEWJYISDSA-N	-1	0	463.534	3.689	50	0		JHAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3ccccc3oc2=O)c1	ZINC000008686636	562952902	/nfs/dbraw/zinc/95/29/02/562952902.db2.gz	RNYBDEVQQHXODZ-UHFFFAOYSA-N	-1	0	480.498	3.863	50	0	aggregator	JHAARM
COc1cccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](O)C(=O)[O-])c1OC	ZINC000008700657	569593701	/nfs/dbraw/zinc/59/37/01/569593701.db2.gz	GQWYOARANXRHLN-DHIUTWEWSA-N	-1	0	463.486	3.729	50	0		JHAARM
O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000032961991	569602660	/nfs/dbraw/zinc/60/26/60/569602660.db2.gz	QPEMVGWTZOEQJO-UHFFFAOYSA-N	-1	0	487.528	3.786	50	0		JHAARM
O=C([O-])c1cc(N2CCCN(c3ncccn3)CC2)nc2ccc(NC(=O)c3ccc(F)cc3)cc21	ZINC000033010310	569616719	/nfs/dbraw/zinc/61/67/19/569616719.db2.gz	LAKCZANYEXHDFD-UHFFFAOYSA-N	-1	0	486.507	3.831	50	0		JHAARM
COc1ccc(Sc2cc3c(cc2[N-]S(=O)(=O)c2cccc(F)c2)n(C)c(=O)n3C)cc1	ZINC000064580886	569620714	/nfs/dbraw/zinc/62/07/14/569620714.db2.gz	KWJZWLHAQUROFF-UHFFFAOYSA-N	-1	0	473.551	3.977	50	0		JHAARM
CC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Br)[n-]c1=O	ZINC000064774881	569627234	/nfs/dbraw/zinc/62/72/34/569627234.db2.gz	JQQVPBBIIVQSGE-UHFFFAOYSA-N	-1	0	474.340	3.696	50	0		JHAARM
COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1cc(C)c(Br)c(C)c1	ZINC000064837106	569636970	/nfs/dbraw/zinc/63/69/70/569636970.db2.gz	RRXVDLLPOQGXEG-UHFFFAOYSA-N	-1	0	464.341	3.626	50	0		JHAARM
CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)[O-]	ZINC000064843560	569638198	/nfs/dbraw/zinc/63/81/98/569638198.db2.gz	ZYWIORMRCMAKTI-UHFFFAOYSA-N	-1	0	487.582	3.531	50	0		JHAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N2CCC[C@H](C[NH+]3CCCC3)C2)cc1C	ZINC000064844166	569638371	/nfs/dbraw/zinc/63/83/71/569638371.db2.gz	DPDIWWOADFDZOD-LJQANCHMSA-N	-1	0	472.611	3.510	50	0		JHAARM
CCCc1nn2c(c1-c1ccc(OC)c(S(=O)(=O)[N-]c3cccc(C)c3)c1)NC(=O)CCC2=O	ZINC000065020756	569648250	/nfs/dbraw/zinc/64/82/50/569648250.db2.gz	YLEQRKLGFBZHLK-UHFFFAOYSA-N	-1	0	482.562	3.993	50	0		JHAARM
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cn3)c(C)n2C)sc1C(=O)N1CCCCCC1	ZINC000065036258	569653184	/nfs/dbraw/zinc/65/31/84/569653184.db2.gz	IPPBXBFCQNKZEV-UHFFFAOYSA-N	-1	0	487.651	4.286	50	0		JHAARM
COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cc(OC)c(OC)c(OC)c1	ZINC000065060197	569655178	/nfs/dbraw/zinc/65/51/78/569655178.db2.gz	YRNWVYOPJQTLMF-UHFFFAOYSA-N	-1	0	450.538	3.954	50	0		JHAARM
O=C(CCc1nnc(-c2ccc(OCc3ccccc3Cl)cc2)[n-]c1=O)N1CCSCC1	ZINC000034763437	569658127	/nfs/dbraw/zinc/65/81/27/569658127.db2.gz	KUNQNCQHRLROJW-UHFFFAOYSA-N	-1	0	470.982	3.985	50	0		JHAARM
Cc1sc(-c2nnc(C(=O)N3CCCCC3)o2)cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1	ZINC000065116741	569666667	/nfs/dbraw/zinc/66/66/67/569666667.db2.gz	GZEWUZFZDYLQLN-UHFFFAOYSA-N	-1	0	464.544	3.981	50	0		JHAARM
CCOC(=O)C1CCN(c2ncc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C(=O)[O-])CC1	ZINC000035397409	569688129	/nfs/dbraw/zinc/68/81/29/569688129.db2.gz	MPAFSNCRNRAERS-UHFFFAOYSA-N	-1	0	489.594	3.559	50	0		JHAARM
CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2C(=O)[O-])c1C	ZINC000035397867	569688617	/nfs/dbraw/zinc/68/86/17/569688617.db2.gz	ORFADACTKWUSHL-UHFFFAOYSA-N	-1	0	485.610	3.710	50	0		JHAARM
O=C(Nc1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1)N1CCCCCC1	ZINC000069949159	569694069	/nfs/dbraw/zinc/69/40/69/569694069.db2.gz	PQJVXXKCJXXHLI-UHFFFAOYSA-N	-1	0	460.531	3.919	50	0		JHAARM
COCc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=C1NC(=O)N(Cc2ccccc2C)C1=O	ZINC000035829480	569712987	/nfs/dbraw/zinc/71/29/87/569712987.db2.gz	HYUSXXOQZVJEQA-ODLFYWEKSA-N	-1	0	452.898	3.779	50	0		JHAARM
COc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000085653429	569714256	/nfs/dbraw/zinc/71/42/56/569714256.db2.gz	FRUXBXGVUXEWQM-UHFFFAOYSA-N	-1	0	466.519	3.622	50	0		JHAARM
Cc1cc(NC(=S)NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)n(-c2ccccn2)n1	ZINC000095950869	569731463	/nfs/dbraw/zinc/73/14/63/569731463.db2.gz	BKAHMAUMCQKSDI-UHFFFAOYSA-N	-1	0	498.615	3.565	50	0		JHAARM
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1	ZINC000098209755	569750758	/nfs/dbraw/zinc/75/07/58/569750758.db2.gz	GBDRLSCSVPGBDC-VWLOTQADSA-N	-1	0	452.507	3.989	50	0		JHAARM
O=C([O-])c1ccc2c([C@@H](C(=O)[O-])[NH+]3CCN(c4ccccn4)CC3)cn(Cc3ccccc3)c2c1	ZINC000036352779	569771292	/nfs/dbraw/zinc/77/12/92/569771292.db2.gz	YISSDEHMXCIEHP-VWLOTQADSA-N	-1	0	470.529	3.731	50	0		JHAARM
Cc1noc(C)c1CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)c4ccccc4)cc32)CC1	ZINC000036360540	569772677	/nfs/dbraw/zinc/77/26/77/569772677.db2.gz	SCODVLPBNKOHCO-VWLOTQADSA-N	-1	0	487.560	3.969	50	0		JHAARM
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-]	ZINC000036543858	569776342	/nfs/dbraw/zinc/77/63/42/569776342.db2.gz	LSCLRBHBXHQEAW-ILWGZMRPSA-N	-1	0	480.565	3.666	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Br)cc3)c(=O)c1=2)Nc1c(Cl)cccc1Cl	ZINC000101387643	569795745	/nfs/dbraw/zinc/79/57/45/569795745.db2.gz	SBLHIJMBXRHEFN-HOTGVXAUSA-N	-1	0	497.136	3.688	50	0		JHAARM
CCCCn1c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(Br)cc3)C2)c([O-])[nH]c1=S	ZINC000101456022	569798182	/nfs/dbraw/zinc/79/81/82/569798182.db2.gz	KYJIUAGIHOGRLL-OAHLLOKOSA-N	-1	0	465.373	3.872	50	0		JHAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Br)c3)c(=O)c1=2)Nc1ccc(Cl)c(Cl)c1	ZINC000102001536	569808824	/nfs/dbraw/zinc/80/88/24/569808824.db2.gz	JSOILPXPWOPUOV-HOTGVXAUSA-N	-1	0	497.136	3.688	50	0		JHAARM
O=C(/C=C/c1ccccc1)Oc1c(I)cc(S(=O)(=O)[O-])c2cccnc21	ZINC000039930644	569812339	/nfs/dbraw/zinc/81/23/39/569812339.db2.gz	LILJYYIKEUQTSJ-CMDGGOBGSA-N	-1	0	481.267	3.705	50	0		JHAARM
COc1cccc(-c2nc(Cn3[nH][n-]c4c(=O)n(-c5cccc(Cl)c5)c(=O)c3=4)c(C)o2)c1OC	ZINC000102479154	569813531	/nfs/dbraw/zinc/81/35/31/569813531.db2.gz	MJMQDPCFWIEHRG-MOPGFXCFSA-N	-1	0	481.896	3.814	50	0		JHAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc(Cl)cc5)oc4C)c=3c2=O)c1	ZINC000102479087	569813540	/nfs/dbraw/zinc/81/35/40/569813540.db2.gz	GSSZRAKBQSDWEZ-RBUKOAKNSA-N	-1	0	451.870	3.805	50	0		JHAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1	ZINC000040450492	569828533	/nfs/dbraw/zinc/82/85/33/569828533.db2.gz	ZJZNRNNTGXRGGY-UHFFFAOYSA-N	-1	0	465.369	3.948	50	0		JHAARM
CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)cc1	ZINC000040450439	569828548	/nfs/dbraw/zinc/82/85/48/569828548.db2.gz	BFCWNERYILYIHN-UHFFFAOYSA-N	-1	0	465.369	3.948	50	0		JHAARM
Cc1cc2nc(CSc3ccccc3[N-]S(=O)(=O)c3ccc(F)c(F)c3)cc(=O)n2o1	ZINC000041089675	569837397	/nfs/dbraw/zinc/83/73/97/569837397.db2.gz	MOADWSBKGFCYMG-UHFFFAOYSA-N	-1	0	463.487	3.967	50	0		JHAARM
COc1ccc(OC)c([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4cc(OC)ccc4OC)c32)c1	ZINC000049543268	569848441	/nfs/dbraw/zinc/84/84/41/569848441.db2.gz	WBNBKWVMCJHXNE-INIZCTEOSA-N	-1	0	452.463	3.684	50	0	biogenic	JHAARM
CCOc1ccc(NC(=O)C(=O)C(=C([O-])c2ccccc2O)[C@H]2OC(=O)c3ccccc32)cc1	ZINC000198724956	569873916	/nfs/dbraw/zinc/87/39/16/569873916.db2.gz	YPGYRVIUEKSZTQ-QPPBQGQZSA-N	-1	0	459.454	3.709	50	0		JHAARM
O=C(OC[C@@H]1O[C@H](n2ncc(=S)[n-]c2=O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000238937048	570048099	/nfs/dbraw/zinc/04/80/99/570048099.db2.gz	SZFMEFKXFONLHR-CGBRIMPHSA-N	-1	0	573.583	3.919	50	0		JHAARM
O=C([O-])CCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1cccc(Cl)c1	ZINC000239762521	570052707	/nfs/dbraw/zinc/05/27/07/570052707.db2.gz	CLVVSDJXAFALDW-IBGZPJMESA-N	-1	0	451.704	3.837	50	0		JHAARM
COc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)[C@H]4CC=CC[C@H]4C(=O)[O-])cc3)C2=O)cc1	ZINC000245239586	570057860	/nfs/dbraw/zinc/05/78/60/570057860.db2.gz	KRKTZSAUUNDBTP-HBMCJLEFSA-N	-1	0	480.542	3.725	50	0		JHAARM
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(C(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	ZINC000252671965	570092636	/nfs/dbraw/zinc/09/26/36/570092636.db2.gz	OTMULPYJGARLGK-QHCPKHFHSA-N	-1	0	490.581	3.620	50	0		JHAARM
COC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c([O-])cc(C)oc1=O	ZINC000253406068	570097069	/nfs/dbraw/zinc/09/70/69/570097069.db2.gz	IRXLGBSLHSBIRE-HXUWFJFHSA-N	-1	0	450.487	3.905	50	0	biogenic	JHAARM
COc1cccc(NC(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)oc2=O)c1	ZINC000253470837	570099174	/nfs/dbraw/zinc/09/91/74/570099174.db2.gz	GYZPQYUZVALBHF-GOSISDBHSA-N	-1	0	469.490	3.849	50	0		JHAARM