smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCOc1ccc(N2COc3c(cc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C)C2)cc1	2125222	ZCKYWJBIXRHKKE-UHFFFAOYSA-N	471.553	6.312	10	40	JKCB	biogenic
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	2450558	ZYIITSFJYWTWLV-OYUWMTPXSA-N	481.523	5.247	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(C(=O)OC)=C2C)cc1	3652128	SVVHVFLOONNAIF-UQQQWYQISA-N	484.552	5.148	10	40	JKCB	
Oc1ccc2ccccc2c1[C@@H]1O[C@@H](c2ccccc2)[C@@H]2CO[C@H](c3c(O)ccc4ccccc34)N12	5080562	SICXCYIEZLITKY-ZEWQTRQVSA-N	475.544	6.574	10	40	JKCB	
COC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)ccc1Cl	8437830	IDXNTSZOJSSYKB-YBEGLDIGSA-N	476.758	5.224	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1	13547158	PMEFCHNNQSMEOR-ULJHMMPZSA-N	461.608	5.854	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	14010057	PEBZZESPPKDMSQ-ONUIUJJFSA-N	454.570	6.095	10	40	JKCB	
Cc1cc(I)ccc1NCN1C(=O)/C(=C\c2cccc(F)c2)SC1=S	15133534	XGKHMTNGEGRACQ-CXUHLZMHSA-N	484.359	5.010	10	40	JKCB	
CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)cn(CC(=O)N3CCCC3)c12	20059463	QNGVNAFRFYKQGC-ZXVVBBHZSA-N	475.592	6.045	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	27018011	DKXZDWYRKKTDBC-ANYBSYGZSA-N	496.570	6.382	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1	58846453	TVQDDEPZURYDPN-QHWMMSMNSA-N	460.599	5.939	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1	58849760	YKPNPGVKMXONBT-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)cc1	59418153	YELKHYGGSFCTIL-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cc(Cl)cc(Cl)c2)cc1	103922346	MOBVNRIXKSXTOQ-HMAPJEAMSA-N	497.338	6.047	10	40	JKCB	
CCn1c2ccccc2c2cc(N)c(/N=N\c3ccc(-c4ccc(N)c(OC)c4)cc3OC)cc21	104202923	HBXBREBTABNORK-MVJHLKBCSA-N	465.557	7.078	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)o1	107629177	LHXJVJQRIPIQKS-YDZHTSKRSA-N	487.537	5.258	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c1	214444360	ATCDORRIKNQOBW-VXLYETTFSA-N	474.321	6.188	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223489561	DEMFZSDJBVYSFL-HZHRSRAPSA-N	489.641	5.327	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1-c1ccccc1	224034786	NLDMWJVPFBPPEH-RPBOFIJWSA-N	454.555	5.087	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224202328	MHVYUBGZIMTTHI-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224266835	MRVJINAIDXWCPC-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	224814583	IRAHOEFPUABRQL-CTDSJEBPSA-N	489.641	5.395	10	40	JKCB	
O/[N+](=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1	253394072	YQQTTXOXWAHTGM-UHFFFAOYSA-N	487.499	6.938	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	408574728	MMGMVILJXBIWIC-JLPGSUDCSA-N	488.634	5.668	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	408578309	XIZVDJABOASNQG-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1OC	408758131	GWBXETWNFDWXIR-XDHOZWIPSA-N	476.916	6.045	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408761971	IVAWJQOGPOKALH-RVDMUPIBSA-N	459.310	5.404	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408815355	WJYCKXBNFHGPOD-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl	408873153	NSBPTDACXXTBTL-UHFFFAOYSA-N	476.985	5.877	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O	408876127	NGAFSXOWOLEWIO-QNGOZBTKSA-N	460.917	5.148	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1ccccc1Cl	408880701	GWIGTESOPSUJCO-HYARGMPZSA-N	488.971	5.613	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(OC)c1	409031698	KHBNMTPNFLAWIM-NTEUORMPSA-N	453.411	5.043	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC	409086995	SLIQUHVMAWRHGS-ZHZULCJRSA-N	477.358	5.691	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C	409128727	GOHVEFNSXQYRRA-BUVRLJJBSA-N	491.569	5.680	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC1=S	409130958	IYJIFRNPYRPNTL-LSCVHKIXSA-N	477.836	5.937	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O	409333306	RTAWEWBCRFBLAB-LDADJPATSA-N	464.406	5.652	10	40	JKCB	
O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409351207	ZHBFBAIGKMPRKD-NSIKDUERSA-N	463.180	6.301	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)c(Cl)c1	2262527	ZRXZNFMGEDFTEJ-SXGWCWSVSA-N	471.818	5.877	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(OCC)c3)C(=O)N=C2S1	8835987	JJABCTVALZSWTL-HACRSSKKSA-N	482.993	5.737	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	9293370	QPBCMDCWIMOKPW-UWLIRHCWSA-N	489.988	5.424	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	9293666	ZSSSEMZRTYSCSG-UODIDJSMSA-N	497.541	6.013	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1	9462385	ZWNBNKPNXHOETL-QNGOZBTKSA-N	481.668	5.499	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)c1	14166066	KOHIICOZPPIQPX-KHVXQDHOSA-N	460.599	5.939	10	40	JKCB	
COc1cc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)ccc1OCc1ccccc1	15015206	IXZCXWQDMQLIMY-DIBXZPPDSA-N	499.636	5.062	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCc3ccccc32)cc1	16914317	JMOAZJMLRBYTSD-DEOSSOPVSA-N	464.407	5.049	10	40	JKCB	
O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12	32124846	BPSAKYDZSNLTPE-DEDYPNTBSA-N	468.581	5.238	10	40	JKCB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1	35622971	SUKCTNQGVXUPJP-MOSHPQCFSA-N	499.920	7.378	10	40	JKCB	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)c1	36082436	CDXXOWDERJHVTB-BOVHVVGKSA-N	461.005	7.543	10	40	JKCB	
CCCCC[C@H]1CCN2c3c1cc(C(=O)O)cc3[C@H]1C=CC[C@@H]1[C@@H]2c1ccc(Br)cc1	101636392	SATVLVYEJAZVPV-QALTUIAKSA-N	480.446	7.436	10	40	JKCB	
C/C(Nc1ccc(Cl)cc1Cl)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920905	UFLMKCAJNUGILZ-STZFKDTASA-N	479.392	6.740	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222878359	OMJIKKCSSDTWNA-IZZNHLLZSA-N	461.679	5.718	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(F)(F)F	223266315	LVKLBVZZNNFCBM-GOTSBHOMSA-N	487.595	5.042	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018006	DZELUGVIEUGTIB-IZLXSDGUSA-N	496.636	6.012	10	40	JKCB	
CC(C)COc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408603402	QOGBCMXQZCLCHO-UHFFFAOYSA-N	456.567	5.470	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)c(OC)c1	408759797	LUMCFRCYLDLLNO-FYJGNVAPSA-N	463.331	5.301	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(-c2ccccc2)n1-c1ccccc1	408786158	FVSHLINTCXCOBS-OQKWZONESA-N	465.484	5.258	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)cc1	408845165	LFORQRJVCAFPRT-MFKUBSTISA-N	463.537	5.281	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)c1	408885096	XHETUKZOBDPQEX-KOEQRZSOSA-N	478.523	5.853	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1	408893875	GOUCMRISJOZURV-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1Cl	408983343	LNHJWQBZLGELSB-ODLFYWEKSA-N	482.367	5.684	10	40	JKCB	
CCOc1ccc2nc(Sc3ccc(/C=C4\SC(=S)NC4=O)cc3[N+](=O)[O-])sc2c1	408992264	RCDGCFTXJLMJBC-PXNMLYILSA-N	475.598	5.243	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21	409170611	WOSHXKOPXVWZRP-WOVHNISZSA-N	451.557	8.133	10	40	JKCB	
O=C1/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1C1CCCCC1	409202639	SIWGPCLFTHRKNI-JJIBRWJFSA-N	462.640	6.254	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)cc1	1160620	FXFJKXAYHHNNLS-HYARGMPZSA-N	472.501	5.380	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Cl)c1OCC(=O)OC	1416704	FVGGTMZNDDDFMW-WOJGMQOQSA-N	477.991	5.005	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)cc1	2714739	XCYSUZVLTWALIM-UHFFFAOYSA-N	475.596	5.731	10	40	JKCB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	3352587	TUENVFVVAHUWIE-UHFFFAOYSA-N	496.434	5.424	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1	8997694	AYMYYZAIGYQDLV-OEAKJJBVSA-N	453.473	5.644	10	40	JKCB	biogenic
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)n3C3CC3)c2C)cc1	9339163	MFTUJVVQZJOLQL-UHFFFAOYSA-N	473.602	5.456	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	9730840	GAKYCQCKTBMDLV-QFOSJIQNSA-N	471.586	5.530	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	20175979	HTNKNSIINFTQPV-HAHDFKILSA-N	492.578	5.978	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	33367825	NCQBUWVUKQGDCF-HHGYXRTLSA-N	466.010	5.947	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(O)=NC(=S)N1c1ccc(F)cc1	67350942	NNJKUHSCYCCMPK-MOSHPQCFSA-N	463.446	5.198	10	40	JKCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1C(=O)c1ccccc1	100524761	LZVNWRLBGAWGTP-LSVUDHJXSA-N	499.983	6.570	10	40	JKCB	
O=C1c2ccccc2C(=O)C1[C@H](c1cccc(Br)c1)c1c(O)c2ccccc2sc1=O	101100055	ROWONMHPTKAMKE-IBGZPJMESA-N	491.362	5.557	10	40	JKCB	
Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)s1	104090888	XFFJKYLOCCOVKO-ZQZMJUSDSA-N	494.566	5.038	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	223054421	IMTGMKBZCARLNM-PKTZIBPZSA-N	499.478	5.261	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223859615	ZIEWTVKVYMNPOZ-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(C(=O)O)cc1	224605651	GHLIRIQBNDZQBD-LOSJGSFVSA-N	484.581	5.070	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1C	408574261	LIVXVWICLJASNS-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1	408766449	QUVUZLGOCUNVIC-KGENOOAVSA-N	495.760	5.724	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408784069	SEASAAHKWIZWJE-QRQIAZFYSA-N	482.624	6.712	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409014826	PYNWMZUFXKKSLF-STZFKDTASA-N	498.476	6.129	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)cc1	409049345	QKYUHBGCEATTFC-ZROIWOOFSA-N	476.357	5.235	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1C	409137267	WIHCBZWNNYDTPW-HZHRSRAPSA-N	465.578	5.138	10	40	JKCB	
CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O	409249477	UGZCANUDWTUXQH-VULFUBBASA-N	457.618	5.865	10	40	JKCB	
Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1C	8765585	OQJTXKQTQKMWGL-HMAPJEAMSA-N	482.627	5.432	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1	8819708	VHOFVRXMUVLKRK-ICFOKQHNSA-N	474.677	5.281	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1Cl	8819993	OKODHMYKMLERPU-MOSHPQCFSA-N	489.018	5.469	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4cn(Cc5ccccc5C)c5ccccc45)C(=O)N=C3S2)cc1	9246250	FWCVFBZIQOTVSU-KTANTHGASA-N	489.604	5.974	10	40	JKCB	
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9659829	NSABDZXSOSKUJG-ZHZULCJRSA-N	468.397	6.647	10	40	JKCB	
C[C@H](OC(=O)c1ccccc1/N=N/c1ccc(O)cc1)C(=O)Nc1ncc(Cl)cc1Cl	9960449	TVXWJIJKPCYATF-FZMQBDARSA-N	459.289	5.693	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12	13618417	IRMWWONYJGHRQL-JVAFHNLNSA-N	496.702	5.019	10	40	JKCB	
CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	15947084	SOAMVBUSIGFCMX-HSZRJFAPSA-N	468.022	5.893	10	40	JKCB	
CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc2c1=O	19792862	JEEJNSSKDTWJGZ-HZPDHXFCSA-N	491.506	6.042	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)c(CN3CCC[C@@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2O)C1	20113160	XSJQHACBDRANOR-VQTJNVASSA-N	476.617	5.335	10	40	JKCB	biogenic
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccc(C(C)C)cc3)C2=O)cc1Cl	33538309	BLUPNLLEUGFWNW-HAHDFKILSA-N	491.975	6.159	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	35844000	BXBSTSZOBINBLD-DSNGMDLFSA-N	471.915	5.502	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21	208218474	BLYRDQJWXVVBLZ-RANIVTSPSA-N	467.566	5.223	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223422596	WWXGCHJQKGDWDX-RRPNLBNLSA-N	484.625	5.376	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224234946	YQFWUKNNFQAKHB-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1	224365752	ITJMSSTWQXFILE-IZLXSDGUSA-N	466.654	6.790	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O	224394072	MMSOYTQBUBPDHQ-LOSJGSFVSA-N	493.007	6.164	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(=O)O)c1	224434958	UGURFDQJCGUGFA-RPBOFIJWSA-N	486.572	5.504	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607932	BTKHLHLYVKMUDJ-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)nc1	224875523	RTERPSJKPRWJQY-LOSJGSFVSA-N	490.032	5.729	10	40	JKCB	
CN1CCN(c2ccc(CNC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)CC1	225776382	NXCGFUSJKRTANE-UHFFFAOYSA-N	462.688	5.217	10	40	JKCB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccccc1I	408739082	STDZEAZEDDFZPJ-NBVRZTHBSA-N	494.288	5.671	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)c1	408772944	JDLRGEGOPVQJBY-OGLMXYFKSA-N	499.570	6.126	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)S2)cc1	408779556	YJRUOANEYJDXOL-SCRHHBKZSA-N	461.587	5.263	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)cc1	408810601	KCOXDKVPGURTFQ-YZSQISJMSA-N	494.522	5.787	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCc2ccc(Cl)c(Cl)c2)c(C)c1	408847390	UTIZBYUBLYGWSJ-LPYMAVHISA-N	465.380	6.995	10	40	JKCB	
CCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC	409030293	FEBLWJAEQPRIDO-UKTHLTGXSA-N	454.395	5.376	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S)c1ccccc1	409184252	WMHFFJYDPMJDHV-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1	409334186	VWEWWICZXBEDIQ-JCMHNJIXSA-N	466.628	5.546	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1OCc1ccc(Cl)cc1	409335699	YQVXPNYTWPSSHC-HMAPJEAMSA-N	482.026	6.642	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1c1ccccc1	2397477	GFAMOQLEYKLPPJ-RCCKNPSSSA-N	473.985	5.574	10	40	JKCB	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccc2)c1	3249979	LVLXFOGVAXRRNE-HHHXNRCGSA-N	452.554	6.248	10	40	JKCB	
CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(Cl)cc1	3641640	HHZAKEJZIJYDOG-UHFFFAOYSA-N	473.960	6.446	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)cc1Cl	6672318	CQSGFKYGFZSPOE-VIZOYTHASA-N	456.770	5.223	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9273925	IMTRWDSSHNCHHV-DSITVLBTSA-N	453.925	5.362	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1Cl	11565585	JMORTTXDYGMFKJ-RZNTYIFUSA-N	478.209	5.846	10	40	JKCB	
CCOc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc1	20289073	RVQJNHHCZMBHQP-ULJHMMPZSA-N	484.581	5.841	10	40	JKCB	
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	28628573	DUJQGCYSRMFPCY-HEKUBOFYSA-N	455.517	6.499	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	59138710	LCXRNGGGKFFGCA-UNOMPAQXSA-N	468.340	5.410	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl	83313653	ULSJGLGAPPJVKJ-SXGWCWSVSA-N	484.824	5.521	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1	101914673	KLPGQKLHBQALKA-QVIHXGFCSA-N	470.451	5.982	10	40	JKCB	
Cc1cc(/N=N/c2ccc(-c3ccc(/N=N\c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N	104367243	BETDIULUXNWVLT-SNQKRLHOSA-N	465.513	7.787	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223422650	WWXGCHJQKGDWDX-KAYWLYCHSA-N	484.625	5.376	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224338008	QKEOJXHHGFZGDD-RRPNLBNLSA-N	496.636	5.927	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc2ccccc12	224600363	QUWZBAQTIGKICF-WDYNHAJCSA-N	490.632	6.525	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)c1	408808803	GFFLIVWYOPAYMV-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1	408813385	MZNRVBINXMJNBZ-LPYMAVHISA-N	490.943	5.293	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408905154	UMAZVQNEJOFPHY-JJIBRWJFSA-N	452.941	6.878	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408912501	HOVVLSNBIUENDE-KEBDBYFISA-N	494.906	5.042	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc23)c1	408940754	UZCWKCHTTSIPON-XQNSMLJCSA-N	466.468	5.224	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	408995924	FSWWPXLYMBFGFR-IWIPYMOSSA-N	460.961	5.933	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)cc1	409014792	JZYYMMVXRWLXPB-LDADJPATSA-N	454.960	5.528	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1Cl	409180596	XSEVYGSIOCFDGL-WSDLNYQXSA-N	479.989	5.731	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409339650	KBMMZDPAXPRTER-NDENLUEZSA-N	452.513	5.578	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1	409341338	BDYXYSGPQPYAJA-MTJSOVHGSA-N	493.522	6.010	10	40	JKCB	
CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1	1355715	HKAXMCBMQSNHLN-UHFFFAOYSA-N	480.977	5.534	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1-c1ccc(Cl)c(Cl)c1	2661964	QHGPEJLDXSDYKO-UHFFFAOYSA-N	495.406	6.801	10	40	JKCB	
CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)N=C1c1ccccc1	8437732	WQYMBCAGOVQGTL-PXLXIMEGSA-N	494.469	5.482	10	40	JKCB	
CC(C)C(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccccc1O	8734894	JYBIBUSDJHIGTK-HSZRJFAPSA-N	485.971	5.888	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1	8819856	ODSQVCLHEBFOLO-MOSHPQCFSA-N	491.034	5.455	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S	9232764	URJRXOFZLPLXQJ-VCHYOVAHSA-N	459.936	5.464	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1	9234130	JEVHFIBKPDXJFH-YNRWKYOSSA-N	483.597	5.409	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1	13749711	ZOAZBAWXSKTUFY-YMNHORQBSA-N	488.613	5.018	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	13940074	LPONYADCVWQLCZ-HACRSSKKSA-N	482.993	5.737	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	16283254	NLHCCHDMZAPQJJ-ODLFYWEKSA-N	490.484	6.588	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1F	16729219	BTMWHSLBHLTDTA-HAHDFKILSA-N	493.629	6.221	10	40	JKCB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	16739939	NHFOYWFVYTZTTN-JWGURIENSA-N	492.000	7.232	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccccc3OC(F)(F)F)C2=O)cc1	20288387	PIKGMSXRHLNWCU-JWGURIENSA-N	467.447	5.731	10	40	JKCB	
Cc1ccc(C)c(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c1	41108319	AHEUELVBSCZRTQ-AKZCVUIYSA-N	469.570	5.101	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58846153	SMHLCCDOTLRSFC-UNVFRBQDSA-N	475.570	5.785	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)ccc1Br	59135358	DUADSMJXPXMCHJ-UDWIEESQSA-N	496.336	5.811	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc(C)cc1	59136084	GGFKRDOCFVXXLS-CPNJWEJPSA-N	476.529	5.393	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1	106683976	HTBKWNSNCBMKRA-UUYOSTAYSA-N	452.963	5.993	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)c1	106698111	KNFPESFELQWSHO-GRSHGNNSSA-N	457.866	5.674	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc2[C@H](C)CC1(C)C	208318369	CXLFRDWNAOMBGK-OFNOZLENSA-N	488.484	7.496	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223824759	HSZKOEQOZBICNL-CLJLJLNGSA-N	483.641	5.768	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1	223893670	GLGLCACEYYLEFP-RRPNLBNLSA-N	467.642	5.732	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223900458	AZSOTPSECMQKPH-YTMVLYRLSA-N	495.696	6.349	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223962648	BZNUQMAFAWQGRN-SXOMAYOGSA-N	497.668	5.849	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224462842	QHEYCYQIJAQPBM-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(Br)c3)C2=O)c(OC)c1	408848037	WQKGFXNMWIIAEJ-FYJGNVAPSA-N	493.357	5.309	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cc(C)cc(C)c2)c1	408895520	KZBCXIGWGBFYFM-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)c1	408900852	YCIRJDJYFKURAL-XDHOZWIPSA-N	464.880	5.033	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(CC)cc3)C2=O)cc1Br	408983479	CAJBYSHCEIHGIH-CJLVFECKSA-N	474.398	6.882	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	409022079	IUZKDZDETGTXBK-YVLHZVERSA-N	496.279	5.354	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)cc1	409242080	UKPJQBMSXPTUJT-PDGQHHTCSA-N	495.944	5.463	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1[N+](=O)[O-]	409332946	TUVXJLYJMXPAPW-UCQKPKSFSA-N	472.547	6.722	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(C)c3)c(OC)c2)SC1=S	409378595	QHCVCRPHGPTIQK-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	1796010	LQJTURQEFGILOO-OHUGHZGNSA-N	459.929	6.172	10	40	JKCB	
O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1	2415434	CQYOXKGMSGCNJK-HZHRSRAPSA-N	469.591	5.607	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c(C)n1-c1cccc(C(F)(F)F)c1	3347821	OEBGDKDDZDSRCW-UHFFFAOYSA-N	485.289	6.042	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccc2c(c1)OCO2	3764423	MKHQIRDQLXVORV-VCHYOVAHSA-N	473.984	6.219	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	9293651	WLNAUPRMHPYQQF-KAGZEXGGSA-N	473.989	5.723	10	40	JKCB	
Cc1cc(/N=N/c2c(O)nc3ccccc3c2O)ccc1/N=N/c1ccc(C(=O)N(C)C)cc1	13597352	UUWOOGAKBOGZIN-QAVVBOBSSA-N	454.490	6.487	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009628	IGISSHLYNCOUFP-UQQQWYQISA-N	462.565	5.796	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)N2CCc3ccccc3C2)cc1	16914177	KHAXQMLMJLVLIC-XMMPIXPASA-N	451.973	5.075	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)C1	19793087	YBBDCPBIUZPMRL-CYBMUJFWSA-N	467.871	6.195	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccccc3OC)c(OC)c2)SC1=S	20058068	RBYOOYKLWQHQDN-XSFVSMFZSA-N	494.034	5.426	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)CC)C2=O)cc1F	26533581	BCODIZRNKOXFFE-CAUNFOBBSA-N	481.618	6.077	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(C)c4)C3=O)cc2[N+](=O)[O-])cc1	32124975	ONWUEZSGOZTDRL-HYARGMPZSA-N	478.620	6.769	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1	41083101	KUFKLDQDWGFAEN-LFSVSOHWSA-N	467.507	5.063	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)cc1	41083719	NSNZVYPSWNZJCR-OKZYRKHVSA-N	484.625	6.401	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1/N=N\c1c(Nc2ccccc2)ccc2cc(S(=O)(=O)O)cc(O)c12	104221687	ZKKXWYBZRLNAQS-QPLCGJKRSA-N	494.485	5.868	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	208460284	NXUVOKBPDQOUSJ-UUYOSTAYSA-N	463.559	5.771	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C	208523759	VBUNJQXILTWKEB-HYARGMPZSA-N	459.615	5.157	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	223387776	PPZFEUSZCLTASC-NSOVKSMOSA-N	481.669	5.728	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223462404	MTAOZMHFQMGBQO-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224301011	FFSZNVGSGLVUHX-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CSc1ccccc1	224655954	OUAUDPOLTXYBIY-UHFFFAOYSA-N	462.615	5.349	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408872821	JILBPJIQNCSKEU-BUVRLJJBSA-N	472.972	5.776	10	40	JKCB	
COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	408875853	LMGNAPDNKWIKTH-SOZUMNATSA-N	455.179	6.600	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	408947073	ZKQGKQGEJSMKQS-YZSQISJMSA-N	480.951	6.514	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OC	409052683	VLDBELCBZPVUJR-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409057117	UDWMEKSFCZWLTA-JCMHNJIXSA-N	474.988	6.242	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S	409094654	FKDMUWUSKJYABZ-LICLKQGHSA-N	468.383	5.248	10	40	JKCB	
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	409107846	RIERJXAZDODRQO-NHDPSOOVSA-N	463.415	6.109	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S	409205021	NFVPEQSLYDAHDW-FYJGNVAPSA-N	455.004	5.875	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)SC2=S)c1	409344493	JSRQVNCQZCKYOU-XQNSMLJCSA-N	479.648	6.272	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	2450143	RCBSKFGSQDRGLD-UBFVSLLYSA-N	453.925	5.362	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)C(=O)N=C2S1	8407873	QVFLKDFVYLKCIA-RHVAGJHFSA-N	477.593	6.118	10	40	JKCB	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N1c2ccccc2Sc2ccccc21	8820410	MZEFVSATRSMKTA-DXWSVEMRSA-N	486.643	6.274	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	9192319	PYQDEMQJICDNNA-LUCDKTHESA-N	473.627	5.634	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9209915	RSPFGXULXYEQBE-SSBOKUKZSA-N	499.541	6.142	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1	9296739	GNGZKGMLDBTATL-HBTCSRNFSA-N	486.568	5.128	10	40	JKCB	
Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c(C)c1	13025261	YFWDXHHDVQZQIE-SANMLTNESA-N	459.590	5.409	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c(C)c1	13170887	SIHJHHQUZJDOLM-JHKOBTARSA-N	452.583	6.015	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)C1=O	14133106	PHVYNWCQDKWEPP-JJIBRWJFSA-N	462.505	5.394	10	40	JKCB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1	15947459	CKOTZNITJSGSJB-NZFNHWASSA-N	472.202	5.532	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	33148378	DUBKKVQJUXFYQV-PAMLCIOASA-N	471.586	5.366	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	58845848	DQYNKYOIDONCMK-CLCZQPDDSA-N	460.599	6.021	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850233	CQNBEAQHVRPPGU-DXMSMQRWSA-N	489.399	6.760	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223761029	ORZJTUJYHMVMCV-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1C	224270028	DASFTKJUUOXSDO-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
COc1cc(N2N=C(C)/C(=C/Nc3nc4cc(Cl)c(Cl)cc4s3)C2=O)ccc1Cl	408530004	IJFQWGVWDNTXBQ-FLIBITNWSA-N	467.765	5.984	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C	408757358	MKPWJHWKHJZDDF-HAHDFKILSA-N	466.501	5.269	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl	408880498	JKJFAZPWOSEFDT-DEDYPNTBSA-N	451.309	5.251	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1	408882727	QKTFIPAHXQEGDO-PDGQHHTCSA-N	483.376	5.404	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409019559	JTMRVASNZXCRLI-XYGWBWBKSA-N	474.988	5.663	10	40	JKCB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	409049593	WYEWYRJMPPFKLU-FRKPEAEDSA-N	467.736	5.348	10	40	JKCB	
Cc1ccc(N2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)C2=O)cc1	409128141	DOODFFLFKARNHH-IMRQLAEWSA-N	470.638	7.691	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409130139	KLKINTOWDMXGGL-IWIPYMOSSA-N	488.569	5.843	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409349752	WBBIGPKCTRKEMS-VULFUBBASA-N	497.597	6.553	10	40	JKCB	
COCCCN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12	524729081	BYUVRXJGERMFQO-WNCULLNHSA-N	490.644	5.269	10	40	JKCB	biogenic
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(C)c(Cl)c5)c4C)C(=O)N=C3S2)c1	2453401	XHGGTIUTEVXCMQ-FNARYYANSA-N	488.016	6.032	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccco1	9330713	BBWFGJYVSWOBCF-HFITWMCCSA-N	465.552	5.470	10	40	JKCB	
COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3cc(C)n(-c4ccccc4)c3C)o2)c(OC)c1	9464443	QNZFIDIDINCKSN-KRWDZBQOSA-N	463.559	5.525	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S	9635969	VBAQUIYAKXANCB-OYKKKHCWSA-N	475.038	7.057	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)Cc2coc3ccc4ccccc4c23)c(C)n1-c1ccc(Cl)cc1	13134124	WUPARJIAQSXIDK-LJQANCHMSA-N	485.967	7.004	10	40	JKCB	
O=C1N(c2ccccc2)N(c2ccccc2/N=N/c2ccccc2)C1(c1ccccc1)c1ccccc1	13402472	BSRDKFMQOMLMSE-JEIPZWNWSA-N	480.571	7.814	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	14009619	IKBPINUTXAKENU-ITYLOYPMSA-N	472.629	6.274	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(Cl)cc23)cc1	20288825	XTGFTCHTPFOENO-ITYLOYPMSA-N	484.987	5.687	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)c(OC)c1	33417517	GCBMGXDMLULCTQ-XKZIYDEJSA-N	492.915	5.443	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1	33499764	OIXQGXOTQIZNTK-WPWMEQJKSA-N	464.590	7.118	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	33725605	OEVLOINXXRHYPF-LLIKLIDUSA-N	489.604	6.223	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12	34837012	CEMIFBDSNXTMHW-XCAKCUFHSA-N	496.983	5.405	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C	35144978	LZLQOWTWTLKOBR-JTPDXPAISA-N	479.949	5.017	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	58884081	NTOQXQWGMNOXNU-PXNMLYILSA-N	467.146	5.633	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418243	WBDOLQIEGVEAOK-FYJGNVAPSA-N	466.515	5.719	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C1=O)[C@H](C)CC(C)(C)N2C	208231269	MIPHLIFLEPEJEE-SWEABUAFSA-N	486.399	5.690	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222923938	WIVRWTMLCWSYMF-PKTZIBPZSA-N	473.473	6.424	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862606	OGLUFZDRXYEBCV-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012116	INBUMDKIROLIBI-RRPNLBNLSA-N	482.609	5.703	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1	260919647	MRNQGEBYJCQDGU-LPPUWEFUSA-N	460.647	5.257	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1	408753075	HNGWQXYGUGQNPI-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C	408802086	CUPLCXZHJQFRHZ-WSDLNYQXSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1	409001564	WNJPEGOCDIFZHP-BUVRLJJBSA-N	463.537	5.281	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409061785	HZJZYBJYBHBXNM-JCMHNJIXSA-N	474.988	6.242	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)NC2=S)c(C)c1	409137198	UOHODHXGTFQAMQ-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1cccc(C(F)(F)F)c1	707026	DNDWSVALTBHVEF-UHFFFAOYSA-N	486.544	6.345	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9233627	ZRUNNDNMRMTBKK-VANRCXAYSA-N	474.417	6.066	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1	13892982	AXAGZACLPYIQKR-WJOFZGQRSA-N	496.592	5.429	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16000857	SUMIHMPKXQSMDL-ISJGIBHGSA-N	488.370	6.016	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	16292348	GOPXDYJMCRJKOB-UCQKPKSFSA-N	466.027	6.629	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)SC1=S	16676505	OEASIAXLYJZHMQ-ATWJUZPFSA-N	470.666	5.441	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	20288270	SPJMANLQVSNTRG-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(Cl)c2)cc1	103922432	XYOZHZGUSNMHGF-HMAPJEAMSA-N	497.338	6.047	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc2C(C)=CC1(C)C	208504498	PNHTVFVGTYHXOS-NDENLUEZSA-N	472.441	7.098	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223098856	MBVJZJVNVVUMIM-CLJLJLNGSA-N	460.647	5.803	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231504	BWZFEQWTDYVMAI-RPBOFIJWSA-N	482.097	5.375	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223903423	BUNXXMWLDLSTDI-IZZNHLLZSA-N	482.657	5.436	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223975856	KTULIGFMWVQCEX-SVBPBHIXSA-N	497.624	5.330	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224208647	WFURNTKKCLIXQC-XRKRLSELSA-N	480.681	6.845	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463739	HLKHRYPESOFQKY-SXOMAYOGSA-N	487.072	6.882	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl	224951608	DEKOXKCIGFXGSA-RPBOFIJWSA-N	490.032	5.723	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	408578386	XWLKUHXLWKKGMA-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	408765887	RIVLUHQJIGOLON-ATVHPVEESA-N	467.308	6.382	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)C2=O)cc1	408771054	FCEIFIDHNHVBSL-VCHYOVAHSA-N	499.325	5.686	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1cccc(Br)c1	408843750	SCMVIPYSQVIBAY-DEDYPNTBSA-N	451.295	5.431	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408874584	CCOMOWJIWICEEC-UDWIEESQSA-N	485.754	5.904	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c1	409046950	SOCPUWRZIODFED-GDNBJRDFSA-N	490.384	5.625	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409165089	SEVFXEQHJRNNJJ-VFVRVIDISA-N	483.175	6.194	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O	409344377	IWYUEDDUACPZFM-UNOMPAQXSA-N	462.434	6.261	10	40	JKCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)SC1=S	409350008	WTKYTIZBMAEKBV-APSNUPSMSA-N	489.243	6.166	10	40	JKCB	
CCC(=C/c1sc2ccc3ccccc3c2[n+]1CC)/C=C1/Sc2ccc3ccccc3c2N1CC	1709250	NJBVDEJLRLUZDI-UHFFFAOYSA-N	493.721	8.782	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1	2253617	AOXWGDFMGVPFOS-HAHDFKILSA-N	493.723	6.899	10	40	JKCB	
Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1-c1ccc2c(c1)OCO2	3351908	AWYDIUMZPJRTFZ-UHFFFAOYSA-N	481.624	5.775	10	40	JKCB	
CCN(CC)CCC[C@H](Cc1ccccc1)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12	4416725	JVSQUMDDANEUCM-HSZRJFAPSA-N	476.064	7.195	10	40	JKCB	
CN1C(=O)/C(=C\c2cn(CC(=O)Nc3c(Cl)cccc3Cl)c3ccccc23)SC1=S	9235934	ZJDUWWWLKOSMBC-RQZCQDPDSA-N	476.410	5.418	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)o2)c([N+](=O)[O-])c1	13603107	DKBLIGLCQAJGAZ-ODLFYWEKSA-N	482.290	5.432	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1	13777409	JNCZLNLAKJGQMK-VXPUMRPOSA-N	480.637	6.912	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C)o2)ccc1Cl	15938854	JIKDEUPKGDUAIM-WJDWOHSUSA-N	499.306	5.544	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(SCc5ccco5)o4)C(=O)N=C3S2)c1	41108408	RIBFVCZFYIZUEQ-JERZPRFUSA-N	478.555	5.171	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(C2CCCCC2)cc1	59109542	WJAMDVGTQDKFIO-NLRVBDNBSA-N	473.617	6.777	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1	103918848	MBKFSVJDHHCUKO-UYRXBGFRSA-N	455.381	5.948	10	40	JKCB	
CCn1c(Cl)nc2cc(C(=O)N(C)Cc3cc(C)n(-c4ccccc4OC)c3C)ccc21	222563202	VMDWTSCTHAKWSB-UHFFFAOYSA-N	450.970	5.398	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	223796389	JKDLILMSXDCDEO-WDYNHAJCSA-N	496.680	6.627	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	223995794	CAGZJQJHOISZIP-IZZNHLLZSA-N	467.598	5.316	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366971	AFZBPWHLSRQSBO-KYJUHHDHSA-N	494.708	7.352	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224470415	KHUMUYXIFFVCOB-JWQCQUIFSA-N	474.033	6.023	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(Cl)cc1	224503644	ISIJBOWXXLCAED-UHFFFAOYSA-N	480.992	5.289	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408640586	JMQLYBRXFAUFLB-IBGZPJMESA-N	467.481	5.532	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1	408763712	QJEPARAKTAIBHD-PGMHBOJBSA-N	459.929	5.997	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408763748	JXDYWQLLXBAPEP-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1	408876360	OARIEQAZOXTOIS-MFKUBSTISA-N	472.972	5.831	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)c(C)c1	408885134	XBUZLDNKJIXEDA-FYJGNVAPSA-N	462.908	5.353	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	408904648	MQECVWFFUKGDFX-LFVJCYFKSA-N	487.386	7.532	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)ccc3C)C2=O)cc1Br	408987286	VYRFYFLVTKOABT-PXLXIMEGSA-N	474.398	6.936	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)SC2=S)cc1	409052332	JMMCPKOBRJOLJZ-PKAZHMFMSA-N	481.642	7.129	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3OC)c3ccccc23)SC1=S	409133674	MFAWHCJFJCKBMI-JCMHNJIXSA-N	452.601	5.340	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2C)cc1	409148314	YIXPYRRMTOCXJR-ULJHMMPZSA-N	490.650	6.457	10	40	JKCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1	409234963	BLEFQYQBIQTPBC-YDZHTSKRSA-N	495.000	6.079	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	409238564	LCDQHAHNANOZGH-NHDPSOOVSA-N	483.952	5.562	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c1	409340004	OKIMJUAGJOFYSQ-LPYMAVHISA-N	484.067	7.047	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(OCC)c2)SC1=S	409340235	SPHAONVJDYUMBX-NDENLUEZSA-N	491.034	5.367	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C)c4)C(=S)N=C3O)c2C)c1	977430	FPSIBKJWMNXOND-HZHRSRAPSA-N	487.581	5.251	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(F)cc1	2951844	IQAQBEBJYSYUMC-ATVHPVEESA-N	479.396	5.208	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	8615408	LTNSZPRVAKDTEJ-FVIRYLMMSA-N	484.429	7.398	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc2ccccc12	8820162	NMKQNHWQDMRQRO-QJOMJCCJSA-N	495.069	6.894	10	40	JKCB	
CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)S1	8821785	GBSUTYRGIJLGAR-IWIPYMOSSA-N	479.001	6.572	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1	9188630	HBEHRZUUCTUYKJ-QRVIBDJDSA-N	466.027	6.942	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	9282741	ZXHXPYZCKQMUAF-XTOVRFJNSA-N	475.618	5.692	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12	9335112	VUKPYIUBSVFYOA-ZHZULCJRSA-N	455.901	5.009	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	9845904	HNHPKVQMDQRTRP-YBEGLDIGSA-N	481.173	6.023	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)cc1	13774469	JJXATUKQLQSEKU-UYRXBGFRSA-N	489.460	5.632	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1	13942777	CLNSFGVPVUUNOV-VVHVNJFJSA-N	497.020	5.916	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	16363083	JLCXUZPHWRLZIU-XYGWBWBKSA-N	470.569	5.284	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(O)=NC(=S)N1c1ccccc1	17123536	LSSNIFHABSVFRH-WJDWOHSUSA-N	453.863	5.180	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2	102185458	VAVYKRZJAZHPON-XFUZISPGSA-N	459.608	5.071	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc2C(C)=CC1(C)C	208521987	USDWNODTLJWJRW-XKZIYDEJSA-N	496.474	6.862	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224298856	GKTQGTBQRCHVMQ-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224535932	JAFKYPWXAJPBGP-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1cccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)c1	408756982	YVKIWRWNCZFOMQ-UHFFFAOYSA-N	475.548	5.986	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)c1	408801930	XCONGOYHZZBJTH-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccccc1	408869689	TUBXYHHTBPMRCY-PDGQHHTCSA-N	494.906	5.123	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2Br)C1=O	408898868	YATQUJNOKMOXAP-XMHGGMMESA-N	491.341	5.003	10	40	JKCB	
COc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl	409031924	BNAIVWWTJVYDFF-FPYGCLRLSA-N	451.178	5.504	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1	409137877	YMEOJOOCFSHCFS-BKUYFWCQSA-N	473.436	6.473	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1	409330786	MSKCNYLAVVXQSU-YBFXNURJSA-N	466.496	5.267	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC	409348438	SROPDPOZMGHATN-ZHZULCJRSA-N	492.460	6.433	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1I	409349575	QVURIIRXRCCFSD-YBEGLDIGSA-N	467.353	5.014	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(Cc4ccccc4)C3=O)o2)cc1	2059099	YQIANOGFALUXRU-LGUFXXKBSA-N	475.544	6.590	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)nc4sc5c(c34)CCC5)c2C)cc1	3267077	MREZPPPBPWFXLP-UHFFFAOYSA-N	477.655	6.270	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	8453044	DWCMXRUHVZSPDZ-HPFDFQMNSA-N	468.966	5.347	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	9010258	CVMHTPLQLAAOPQ-XYGWBWBKSA-N	489.019	5.757	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c1	9232624	FIVBPXGGSSSKAI-VXLYETTFSA-N	484.873	5.443	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(CC)CC)SC4=NC3=O)c2C)cc1	9281454	RYXPRYZVENJJBD-SMKDVUIYSA-N	463.607	5.548	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)c(OC)c1	9293634	FAUIJKWZRLJVAL-OILBOLJZSA-N	499.596	5.087	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9309476	QDKLPLFEWAQIFX-UNTPUJHMSA-N	477.952	5.554	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S	12628713	QXZXBRCXKTZQJG-BOPFTXTBSA-N	450.379	5.262	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1Cl	13751017	FNLUINZLVKIHIO-STZFKDTASA-N	484.046	6.203	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1	16292719	ZNZSITGFEURKCB-ULJHMMPZSA-N	464.546	5.602	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N=C3O)c2c1	16956729	DQLLSIPMAIOTED-HZHRSRAPSA-N	474.582	5.926	10	40	JKCB	
COc1ccc(OC)c(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c1	20287804	KRLHNKUZOSJOLQ-KQWNVCNZSA-N	470.554	5.451	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2cccc(Cl)c2C)cc1	20289122	CLBCITHLFHZWDJ-KQWNVCNZSA-N	489.000	6.404	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3F)o2)C(O)=NC1=S	32116543	VAMPQEVSHLXDQX-ATVHPVEESA-N	464.474	5.018	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)SC2=S)cc1OC	32593979	QMFJELHGXJTBMC-HYARGMPZSA-N	469.559	5.547	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)c(OC)c1	33317797	PYAFHHDHYYMGBO-UCQKPKSFSA-N	472.497	5.098	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)c2)cc1C	33780362	AKXBGOCSQZLEBH-QRVIBDJDSA-N	492.000	6.057	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccccc1Oc1ccccc1	96936018	AEBUSNBFTMLULO-CJLVFECKSA-N	478.570	5.848	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl	223100666	FEHQBVHDZUMQEG-JWQCQUIFSA-N	499.511	7.101	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224236561	APWJVSGGTDVBEK-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224335150	FCRZOLLSMQDCKJ-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	224798506	IYXKURUIJGAGTP-UIOOFZCWSA-N	485.613	5.078	10	40	JKCB	
CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1C	225173635	BXMNNFJCKUXBKB-VSGBNLITSA-N	495.652	6.015	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1	408755674	LJZMVSOKHQRFPC-UDWIEESQSA-N	481.733	5.635	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1cccc(Br)c1	408763099	RFUGLDRJEXDARH-KEBDBYFISA-N	490.159	6.730	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccc(Br)cc2)C1=O	408766209	PRJWMFYTJNBYDX-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1Br	408984105	FAUSFOHNDJGQMP-XMHGGMMESA-N	480.789	6.973	10	40	JKCB	
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(-c4ccccc4)cc3)N2[C@H]1c1ccc(N(C)C)cc1	408989563	LGMAKDHIDUUFDU-NDEPHWFRSA-N	495.648	6.715	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c3ccccc32)cc1	409181249	ADTNACMPFCENRD-MSXFZWOLSA-N	493.028	7.196	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409247162	CFOHWQRSPANVAB-XMHGGMMESA-N	463.990	5.141	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1	409326337	ALLRQFNJNLPOGT-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC	409332351	QIIIFLGBIOEJHW-ZDLGFXPLSA-N	454.400	6.197	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1	409338446	KEGXMZIYVBMYNE-IMRQLAEWSA-N	496.657	6.891	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OC	409338485	KVSMACJHORRVRW-BOPFTXTBSA-N	464.406	5.571	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)cc1	409339714	LAMUXAZQQAYBAZ-HYARGMPZSA-N	478.595	5.597	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1	409377823	LDGLWWKVMUTORY-CPNJWEJPSA-N	468.987	5.478	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F	1861266	YABHURAXTBAFNJ-JXLMVQBASA-N	476.545	5.882	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)o2)cc1	8495864	PUNGKWXOXCCWEI-ILUGDOHVSA-N	473.485	5.177	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	9159584	INPPTKDDQWCRSX-RGWAAKRYSA-N	487.673	6.807	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9281335	CHIQYHWLECAXRY-OQZKWKKUSA-N	476.558	5.624	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCCC1	13381976	NWZWJTPYISTJDH-UDWIEESQSA-N	470.367	5.039	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c1	13511002	RDBFQXAQDLRTHE-PLRJNAJWSA-N	486.641	6.174	10	40	JKCB	
CCN(CC)c1ccc2nc3ccc(/N=N/c4c(O)ccc5ccccc45)cc3[n+](-c3ccccc3)c2c1	18021781	JTSDRRPLYLEARG-UHFFFAOYSA-O	498.610	7.785	10	40	JKCB	
Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)ccc3c2=O)cc1	19792876	FTKKAVDPPJWTOT-GJZGRUSLSA-N	463.452	5.227	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccccc2Cl)cc1	20288934	IHPMNXSHSDWDIQ-JCMHNJIXSA-N	462.893	5.394	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC	58847564	JXHAABXETKTWRG-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3c5ccccc5cc5ccccc35)N4)sc2c1	58851201	SMGZPORYKICYPP-OEYLZLLESA-N	494.663	9.405	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(F)cc1	59106195	SXRAFAGUXQZLML-UDWIEESQSA-N	464.424	5.059	10	40	JKCB	
CCCCCCc1cc(/N=N\c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c(O)cc1O	104090764	SSFXNYORPDVCLV-VHXPQNKSSA-N	475.596	5.597	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113833414	IUHMOMXMFJSSET-HYARGMPZSA-N	484.599	5.716	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223389253	FQLJXNXVRDDDSR-XCZPVHLTSA-N	466.654	6.279	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224236744	KQJAHBPBDMSRDK-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1F	224898871	WUXSLBCTVKHMNC-UIOOFZCWSA-N	474.580	6.253	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	408766950	XNIQFACQTNQFQQ-FYJGNVAPSA-N	453.325	5.845	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(C)c(C)c3)C2=O)cc1	408800261	LFKILCGNIJBCOC-MFKUBSTISA-N	484.552	5.120	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1	408819070	ZTWPQPXQVFPHOX-WOJGMQOQSA-N	497.334	5.247	10	40	JKCB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c2c1	408971870	RECALKNPDLWXCR-QNGOZBTKSA-N	461.443	6.192	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409011279	GVNUGFHGCKMTSZ-IMRQLAEWSA-N	498.623	5.635	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1cccc(F)c1	409081352	POJXNELUNPWOBJ-UUMRFZBWSA-N	473.591	5.184	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1	409238560	DWDYMXOWGJXQRI-BUVRLJJBSA-N	457.599	5.357	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=CNCCC2=CCCCC2)C(=O)N(c2ccccc2C)C1=S	2333514	VUDHAMUOTUPTPK-UHFFFAOYSA-N	459.615	5.332	10	40	JKCB	
COc1cc(/N=N/c2cc(CN(C)C)cc3ncccc23)c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1	5648433	XQYJMZDUTFYABG-FUEWEDNTSA-N	499.531	7.053	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1	8739694	VSBXHKPCKMOCOZ-HAHDFKILSA-N	454.576	5.848	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCCCCC1	8820171	ARNLTZYVJCQTNT-MNDPQUGUSA-N	451.057	5.504	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)c2C)c1	9282716	GJMHWKMSBNMGAH-QRPNVLAJSA-N	488.016	5.918	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1C	9659603	JKLPHFWRKALHJT-JLPGSUDCSA-N	496.053	6.820	10	40	JKCB	
Cc1ccc2c(c1)c(/C=C1\C(=N)N3N=C(C(F)(F)F)SC3=NC1=O)c(C)n2Cc1ccccc1	9721039	PXLCLIQSCPFCJQ-NAJDAHHYSA-N	481.503	5.488	10	40	JKCB	
COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2C)C1=O	9849609	HUWNFHJCJADIPJ-UQQQWYQISA-N	491.634	6.176	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)cccc21	12588937	UYCNEYXRCLJQFA-UHFFFAOYSA-N	488.930	6.583	10	40	JKCB	
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S	13898478	JSYQZRUYXIPCPP-ZHZULCJRSA-N	472.588	5.181	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2Sc2ccc(Cl)cc2)cc(OC)c1OC	40488426	VOLRWGUKCDRMCJ-MOSHPQCFSA-N	480.973	5.902	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58850060	ZTQINEDVECQOTJ-VYKTZEHYSA-N	470.569	6.606	10	40	JKCB	
Cc1cc(/N=N\c2ccc(-c3ccc(/N=N\c4cc(C)c(N)cc4N)cc3)cc2)c(N)cc1N	104381633	JCGDZDVFMMHRGQ-WANSBIPISA-N	450.550	7.130	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1Cl	222923675	YPNYUUCTJIWEIQ-PKTZIBPZSA-N	473.473	6.424	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc2ccccc12	223306194	YEWOAUXNEKHFSW-QLCOJLISSA-N	482.653	5.794	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2[C@@H](C)CC1(C)C	223537521	XGXWJUAOIPAWQI-JPOGYNCRSA-N	461.631	5.247	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224203208	LKYFSMFTECCACR-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224535411	UXRILWBVMKFMLF-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224622448	XZICPFIFHJYMKH-FTJBHMTQSA-N	498.608	5.158	10	40	JKCB	
COc1ccc(NC(=O)N/C=C2\C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1	408529026	GUAHLFQIOKUHEG-ONUIUJJFSA-N	484.600	5.591	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)SC2=S)cc1	408574752	MOXMAXFARUZVDP-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1	408754606	RKYURVGYNWKHQF-DEDYPNTBSA-N	472.169	6.590	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)S2)cc1	408774783	NCFUQVVCTCFKBI-MGSPXPDISA-N	482.447	6.019	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1	408850007	CQNKMYFEHMSRTQ-QGOAFFKASA-N	497.403	5.712	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1ccccc1Cl	408873581	SIESXOIHMHXQLD-RGVLZGJSSA-N	481.335	5.259	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408879557	BUKSXQKUIUVPGH-BUVRLJJBSA-N	488.971	5.613	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C	408964200	BVLVVFNGBBEIGN-KGENOOAVSA-N	463.990	5.141	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1C	409067536	YTCUHVTXBORFJB-UHFFFAOYSA-N	491.616	6.151	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OCC	409090769	QBAOPJZGWRNXJM-QNGOZBTKSA-N	491.385	6.081	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)c(Cl)c1	409212533	MYLRGOPZURXONA-LNKIKWGQSA-N	480.181	6.614	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1cccc(Cl)c1	409346961	PCXRLCHZTVRMEF-MFKUBSTISA-N	488.033	7.478	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)c2C)cc1	409357919	SBDUXXCQFSDITA-OYKKKHCWSA-N	489.597	5.395	10	40	JKCB	
Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c2oc1=O	1614472188	OCXCAPFXXCGSEJ-TWXAQOBRSA-N	469.025	5.164	10	40	JKCB	biogenic
CCN(CC)c1ccc(/C=C2\CCC(/C=C3/N=C(c4cccs4)OC3=O)=C2N2CCOCC2)cc1	3219722	CAFGPEQLFWMGAU-DZNGUTMSSA-N	489.641	5.245	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(OC(F)F)cc1	3316145	SDGHLAJONKPRHH-UHFFFAOYSA-N	482.310	5.971	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1	8819553	VRDLOWILHCMVET-JCMHNJIXSA-N	490.606	5.247	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	8821298	NUBBSLQCCIUWBJ-XKZIYDEJSA-N	496.009	6.331	10	40	JKCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	8984462	DKPMIGNTFGOUQZ-YBFXNURJSA-N	469.324	5.042	10	40	JKCB	
CCOC(=O)[C@@H]1CCCN(c2cc(Nc3ccc(OC)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1	9015663	COFPFXTVGQCWKI-QGZVFWFLSA-N	497.551	5.571	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O	9233860	DWBHESLUZASRHX-MKMNVTDBSA-N	491.215	5.876	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1	9311129	GONPOPZQDVGEFS-ONUIUJJFSA-N	485.653	5.885	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1	12275010	IBVCDBMRWDRSEE-ZCXUNETKSA-N	473.417	5.520	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16000416	IMTRWDSSHNCHHV-CCDWMCETSA-N	453.925	5.362	10	40	JKCB	
O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	32932305	ZMGNUAOGLLRBFK-HSZRJFAPSA-N	475.928	5.835	10	40	JKCB	
CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)o2)cc1	35376372	VXQZDDFRBUCAOD-BYYHNAKLSA-N	473.558	6.357	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Br	222615333	VJTKDLHFURSKNM-UZQPLGKSSA-N	467.436	5.841	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc2ccccc12	223264486	HOCVMXMCHORLDE-SXOMAYOGSA-N	469.658	5.176	10	40	JKCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223686039	RWOFIYBFHBXIRR-SXOMAYOGSA-N	484.625	5.178	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224536079	GYLVVUPHCIMJLY-SXOMAYOGSA-N	498.608	5.404	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1	224804487	WUCCENROAWEDGV-NSOVKSMOSA-N	498.652	5.992	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(Br)c1	260753022	AVMYULCMUUABPP-KBJGYGKASA-N	467.436	5.841	10	40	JKCB	
O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735345	NUPJOFHCFCWXHY-UHFFFAOYSA-N	464.528	7.887	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2Cc2cccc(F)c2)C1=O	408865002	AMPUKPUMKUCCIW-KGENOOAVSA-N	493.332	5.154	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)c1	408895361	MLWJHVSFIXXNLU-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc([N+](=O)[O-])cc1	408970145	BOTMNOHKVAWYRC-MOSHPQCFSA-N	454.408	5.351	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408998139	IDNUBJAZZAJVLA-MTJSOVHGSA-N	499.455	5.924	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409059440	NJJASEUNWBUKLU-IWIPYMOSSA-N	456.542	5.288	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409069242	MDOHGPVTYRETOB-UQQQWYQISA-N	470.569	5.678	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1	409104835	IQQMPKZJTPRJKG-RGVLZGJSSA-N	495.513	5.098	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)SC1=S	409135523	QCTYHGATDWBWBV-HAHDFKILSA-N	464.612	6.116	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1	409200642	ISXOGMXDPJKHEU-CIAFOILYSA-N	450.541	6.186	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1F	409350417	YGHOBPPRKNFFCE-ZVHZXABRSA-N	493.028	7.196	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)c(C)n1-c1ccccc1	409356102	DYYMQFQUGWIZIL-YBFXNURJSA-N	485.487	5.186	10	40	JKCB	
S=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCN(c2cccc(Cl)c2)CC1	1471386	AOALUMXKLMYZKH-UHFFFAOYSA-N	451.806	6.405	10	40	JKCB	
CCN1/C(=C\C=C2/SC(=S)N(c3ccccc3)C2=O)Sc2ccc(-c3ccccc3)cc21	2270385	JMARCHFLPMIMQK-REPVBDINSA-N	472.660	7.076	10	40	JKCB	
CCOc1ccc2nc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)sc2c1	2640604	NRZUXDRPPJVRGE-UHFFFAOYSA-N	466.584	5.806	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	6475526	LPWKMALQNCFLOY-NLJOTIRTSA-N	462.505	6.794	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	8454108	RUXAXBFFITZOHJ-DFIYOIEZSA-N	466.990	5.976	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1C	9293591	UQJDVUNWLNPBIJ-DVELLGFNSA-N	459.619	5.910	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	9427311	LVSREBGWTZCYOU-ULJHMMPZSA-N	491.682	6.638	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	11859515	KVINNEUXOBBPAZ-ATLLOTDBSA-N	494.374	6.826	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	14166034	VCDDGTSHJBIEQC-CZSZKKDXSA-N	495.000	5.974	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c3ccccc32)cc1	34910116	UNATZENTGRPXPR-RSQAEGOUSA-N	495.633	5.921	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	36596237	BJVTXLDBBVZNGZ-VKRJAPGXSA-N	483.597	5.273	10	40	JKCB	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OCc1ccccc1)N2	58851364	NJTZYPMSDLUTFB-XVTZWQNCSA-N	456.800	8.052	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCCOc4ccccc4)c(Cl)c3)C(=N)N12	103604891	RDFRVHDQWBTXIY-JLFKZYKSSA-N	453.951	5.355	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2C(C)=CC1(C)C	208510245	CCPQXFLTDNMFBP-XKZIYDEJSA-N	463.559	5.853	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Br)cc1	222615910	VNMQOSIEQZEFQH-UZQPLGKSSA-N	467.436	5.841	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Cl	223460438	OVGJRGUBOMVMAH-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c(C)c1	223465837	HFEAMIPFSNWCRN-IAPPQJPRSA-N	481.669	5.982	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	224168314	AQZWUIZLBSTQGZ-LOSJGSFVSA-N	468.582	5.364	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c(C)c1	224403989	VHKJLIPNCBXMSN-XCZPVHLTSA-N	484.644	6.731	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1	225015650	SFFCYIJWULSSTH-RPWUZVMVSA-N	451.039	6.058	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4)c3)SC2=S)cc1	408575378	KQFQPMSAAZYJII-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl	408774518	MABLJOYSGNRKGI-JJFYIABZSA-N	490.987	5.483	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(C)c(C)c2)c1	408812844	UAAGDLHXEIZQHQ-AFUMVMLFSA-N	484.552	5.174	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S	409013292	MTDSSZOZRSLBQE-CPNJWEJPSA-N	495.944	5.380	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409020720	SKSNILQLDDJMAE-MYYYXRDXSA-N	490.987	6.023	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC1=S	409047823	VAKPJVYUUCAEDC-NVMNQCDNSA-N	470.418	6.569	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1	409077430	DSNVRSYQUIDQJF-UQQQWYQISA-N	499.397	7.407	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(c5ccccc5)C4=O)c3C)cc2)cc1	409124711	KFUXAFFFSJKPFA-IMRQLAEWSA-N	496.588	7.136	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1	409155344	QWMIVHVXSWAMGC-JMIUGGIZSA-N	488.348	6.497	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S	409213054	OCYDJAMIBJJIQI-QRQIAZFYSA-N	490.653	7.557	10	40	JKCB	
Cc1ccc(/N=N\c2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1	409290887	VKROFTSSNDRLLK-NLXXDNKNSA-N	469.544	6.807	10	40	JKCB	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409326871	FQIWEJWVWDIOOK-LZYBPNLTSA-N	489.243	6.560	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O)Nc1ccccc1	409345254	KLIJQRAVOYQQDV-UQQQWYQISA-N	496.613	6.263	10	40	JKCB	
CC(C)CC(=O)N1CCCCCCCN(Cc2cc(C(C)(C)C)ccc2O)Cc2ccccc21	643558892	GXBVJBLYVBSQHR-UHFFFAOYSA-N	464.694	7.035	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3C)c3ccccc23)c(C)c1	834451	COCYASRFHSSIIH-UHFFFAOYSA-N	494.638	5.675	10	40	JKCB	
O=C1/C(=C\c2ccccc2)SC(=S)N1CCCC(=O)N1c2ccccc2Sc2ccccc21	1798882	SFNJNCMRAWNCLF-HAVVHWLPSA-N	488.659	6.498	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)o2)ccc1Cl	2986240	FPXOTKYACHTDSX-GRSHGNNSSA-N	473.934	5.839	10	40	JKCB	
O=C(Nc1ccc(Cl)cc1)c1cc(/N=N/c2ccc(O)cc2Cl)c2ccccc2c1O	4113465	PWMMTAPPOFIYFQ-BYYHNAKLSA-N	452.297	7.226	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	6177792	NVPVAQKHEGZKRD-UHFFFAOYSA-N	495.966	6.331	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	8819003	QREKVLJPSMJDQX-KNGSKEOJSA-N	487.546	5.373	10	40	JKCB	
Cc1ccc(/N=N/c2cc(C)ccc2N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	8935203	KYVVQEZLNXJLIO-QVIHXGFCSA-N	492.491	7.220	10	40	JKCB	
COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21	9763324	WKTQCASQGHUYKH-CKJXQJPGSA-N	458.352	5.388	10	40	JKCB	
CC(C)c1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	9805563	PPECILCIGYSNDE-BWAHOGKJSA-N	475.635	6.674	10	40	JKCB	
COc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	13940983	GNOXPIXNRWPFRV-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)cc3C)C2=O)cc1	14921235	YYZVVCBNCBLWDO-NCELDCMTSA-N	483.637	5.898	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	16214604	PCWBRPHULDTEJV-UCQKPKSFSA-N	482.026	6.329	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCCOc3cc(C)ccc3C(C)C)c(OC)c2)SC1=S	33430227	DOBCIBFSJPEPDM-JLPGSUDCSA-N	485.671	6.196	10	40	JKCB	
O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)S/C1=C\c1ccc(Cl)cc1	36633760	YATOYOIQMNGZFS-MQXJPVLKSA-N	478.404	6.815	10	40	JKCB	
COc1ccc(-c2c(C)oc3c(CN4CCN(c5cccc(Cl)c5)CC4)c(O)ccc3c2=O)cc1	41585358	OLSSYRIVXFQPFO-UHFFFAOYSA-N	490.987	5.458	10	40	JKCB	biogenic
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	58849380	DKPBDVMPNWPPLL-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1cccs1	113831373	OEEYYWBLKMIZML-YBFXNURJSA-N	488.011	6.035	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2C(C)=CC1(C)C	208519788	UKQJEXMFEUEAEK-HYARGMPZSA-N	457.574	5.300	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223895078	TUSAJNFSYASRMA-VMPREFPWSA-N	495.696	6.295	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224266457	SPMHPIAXQBVRNQ-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224371397	WWCRIIJDHBESRP-JDXGNMNLSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1O	224870736	IVENMBGNTMWFML-LOSJGSFVSA-N	491.016	5.731	10	40	JKCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	408842652	BNONTJSRYSFACW-VCHYOVAHSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1Cl	408870343	VYJKWOBDRMISGH-CIAFOILYSA-N	483.326	5.698	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)cc1	408893728	HARISRMXCIACAK-LFVJCYFKSA-N	496.494	5.233	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409235832	CGLBHIHAQLRESX-RAXLEYEMSA-N	477.756	5.738	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)SC1=S	409332976	UAZPAMGXGUXKHF-ZDLGFXPLSA-N	468.427	6.192	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S)c1cccs1	409350743	YQADSUXMUDZOPT-XDHOZWIPSA-N	487.027	5.527	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1	1773364	GCAUCAJRGKLNDR-KQWNVCNZSA-N	460.624	6.022	10	40	JKCB	
Cc1c(C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)oc2ccccc12	2329689	RMSVAQYSSYMHRL-LANLRWRYSA-N	479.579	5.341	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	8819829	GSEBAJUSOVFKHR-NKFKGCMQSA-N	466.672	5.805	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCSc1cccc2ccccc12	8993755	VBZLBRKRJURYMH-JCMHNJIXSA-N	467.637	5.898	10	40	JKCB	
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc12	9041229	XJBQFYMQBRYZIU-UHFFFAOYSA-N	463.518	5.423	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOCCOc1cccc(C)c1	9113088	WNPXSZZOTTUGII-QJOMJCCJSA-N	487.643	5.089	10	40	JKCB	
CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1	10059394	GXDKHBRWZOGIQI-VVVCHXIZSA-N	469.832	6.450	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1	13689429	ORHKKGCWIBBNSZ-IEOAWGNMSA-N	496.394	6.023	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C2=O)cc1Cl	20238577	QHLIUHWSWFTVTN-ZHZULCJRSA-N	488.952	7.053	10	40	JKCB	
COc1cc(C)ccc1OCCOc1ccc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)cc1Cl	103563436	IWDICEYCGUOQLT-KRKDOYDSSA-N	483.977	5.282	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224234635	XVBURDDZOMWSRZ-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1	224239494	PSWZRQOLCHBYFF-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398284	MMEWNGVJQLJBRG-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)SC2=S)cc1	408576200	TWDZBSVSKUYOHZ-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408865071	AXGMTRQOMZKKGZ-UNOMPAQXSA-N	483.376	5.404	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(Cc3ccccc3F)ccc3ccccc23)C1=O	408873369	PXYOCWCLYNJLTQ-JJIBRWJFSA-N	464.496	5.545	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cc(C)cc(C)c1	408935722	DNCYWHPLNDZNDY-BUVRLJJBSA-N	454.526	5.333	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	409102320	RWZCBLDONVVHSH-LCYFTJDESA-N	496.133	6.227	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)cc1	409342258	CZDARWRKMDQJTD-UDWIEESQSA-N	495.534	5.148	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409367581	FMVHYUBHIMTSFE-SXGWCWSVSA-N	452.388	5.494	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc2c1oc(=O)c1ccccc12	1083103369	JBZWXYXSJXSYML-ZVMNANPCSA-N	470.613	5.355	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O	1792458	QZEQFTGISIOVNC-CXUHLZMHSA-N	497.823	5.038	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)C1=O)=C\c1ccccc1	9030156	UPOQDVNCEPGJNP-LDLBDYBKSA-N	490.694	5.706	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1Br	9933832	ATGBBTBCQIHMQR-HAHDFKILSA-N	482.377	7.082	10	40	JKCB	
CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2c(CN3C[C@H](C)O[C@H](C)C3)c(O)ccc2c1=O	12374446	JEEJNSSKDTWJGZ-IYBDPMFKSA-N	491.506	6.042	10	40	JKCB	
Oc1ccc(CCN(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1O	13134562	HLGAKZDURYTZHH-UHFFFAOYSA-N	469.425	6.380	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	13810870	ZUHDNYLEKGAUGU-HHTSZTKCSA-N	476.964	6.191	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12	16001265	DHXZRFZTLGESMD-JIMJEQGWSA-N	467.952	5.671	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cccn4CCOc4ccccc4Cl)C(=O)N=C3S2)c1	41076706	VZIHJILZICHICB-JBISNPTNSA-N	489.988	5.196	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1	58846731	SRFZYXWTNWSOHK-IWVFXYMLSA-N	486.681	7.228	10	40	JKCB	
CC(C)N(CCCCCN[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O)C(C)C	65090330	ANJUSIYXODUKKE-HWWHOIBZSA-N	481.641	5.763	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3F)S2)cc1	107925489	IGGSFXCWMFJFJA-XKZIYDEJSA-N	452.938	6.449	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1	112294874	OHLURHBZXJAERE-ITYLOYPMSA-N	455.514	5.014	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	206828952	CVKKAGYRAGDGQE-RQZCQDPDSA-N	468.383	5.248	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2C(C)=CC1(C)C	208511159	DJEPZDQVPNPUDR-UCQKPKSFSA-N	475.614	5.692	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1ccccc1	223916420	BGPAFZYWLLCXJG-CLJLJLNGSA-N	453.615	5.424	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224299475	RFFKINREVMGBDK-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)nc1	224439135	JPAVFVXPBMANAO-LOSJGSFVSA-N	457.578	5.509	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1F	224602474	PSMLQJXJYFAQLK-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)C1	225690687	YFBQKEINMSIWIG-OAQYLSRUSA-N	461.700	6.702	10	40	JKCB	
COc1ccc(N(C)C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	408735710	VPDPBNUZFDZZEV-UHFFFAOYSA-N	475.573	6.898	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1	408902126	KNLTVXBKKQUAKS-RGVLZGJSSA-N	487.806	6.751	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409022083	DTGMOGRRHODBIX-ONUIUJJFSA-N	453.538	5.760	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c2C)ccc1Br	409126185	NGDDNNACFOQWCC-NHDPSOOVSA-N	498.471	5.961	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl	409147378	WEPHUSBEXYGTDC-MTJSOVHGSA-N	483.376	5.973	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1	409244168	YVGPITXWPSPCPD-ZVHZXABRSA-N	473.985	6.532	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1cccc2ccccc12	409338828	BTCUSICZAPKMDR-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1cccc2ccccc12	409342096	BLOOKOMEUWKGAC-NDENLUEZSA-N	493.972	6.620	10	40	JKCB	
Cc1oc2c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)ccc2c(=O)c1-c1nc2ccccc2s1	2106881	KQYBKHPFDHPYKD-HPGBDJQBSA-N	474.626	6.484	10	40	JKCB	biogenic
Cc1cc(C(=O)COc2ccc(Br)cc2Br)c(C)n1-c1ccc(Cl)cc1	3345196	BVIOLRJNRHCMCV-UHFFFAOYSA-N	497.614	6.534	10	40	JKCB	
Cc1ccc(OCCn2c(C)c(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c(C)c1	8407981	IZAAURRJEKRZTO-CGVBMLBPSA-N	499.640	5.921	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1	9704312	WWIOOHSFCHVMAU-UCQKPKSFSA-N	482.026	6.642	10	40	JKCB	
Cc1cc(C(=O)CONC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(Cl)c(Cl)c1	13147694	ZVZYVOLOHIRGHS-UHFFFAOYSA-N	475.416	5.848	10	40	JKCB	
CC(C)c1ccc(OCCn2cccc2/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	13940072	HSHUOZMUUYNHLK-IZHZPMQVSA-N	482.609	5.995	10	40	JKCB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cc(Cl)cc(Cl)c1O	19326099	XPUSXIDGPWICAC-UHFFFAOYSA-N	487.427	6.123	10	40	JKCB	
O=c1c(Oc2ccccc2Cl)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12	19793012	UFJDMSDCINZNMG-UHFFFAOYSA-N	467.871	6.339	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2	35239244	AWRSAJBGIGCVDW-WGARJPEWSA-N	497.597	6.553	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C[C@@H]1CCCO1	40006345	MRGNDDBJRLPGIE-VNAJSCGASA-N	480.438	5.953	10	40	JKCB	
N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N=C2SC=C(c3ccccc3)N12	41108249	DPJIWRFJUFBNQD-AKZCVUIYSA-N	479.590	5.905	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1	58845868	FQVVDRRSTXAPMP-SGIRGMQISA-N	461.543	5.531	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58849008	GEECBTKJJCWADR-GNBJCERTSA-N	476.554	5.051	10	40	JKCB	
CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)C1	100650786	RIUQYEWZDJLFRW-CRYYWNKWSA-N	460.599	6.176	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223053748	ADBCSOMOICARKO-DHIUTWEWSA-N	455.027	5.152	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231446	BWZFEQWTDYVMAI-JWQCQUIFSA-N	482.097	5.375	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1	223460623	RLIRITRVMYMNID-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224235564	GEFDYZPPPVKCOC-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224434448	MYMPKPZFOBSFCU-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437869	GIIQFAYNORDKLH-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	408692253	IOACBIBQNRUBRO-UQQQWYQISA-N	453.542	5.166	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1	408807551	DFIAVQBMPGQQFP-HYARGMPZSA-N	474.944	5.456	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	408867283	KHEYIDOCYQVWFJ-MTJSOVHGSA-N	483.952	5.562	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1ccccc1Cl	408874417	BGLHXPVTBLJTJO-FYJGNVAPSA-N	495.362	5.649	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408877678	XQRQBWKEAKGCFQ-STZFKDTASA-N	495.406	6.587	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	408896493	YWVYNQDJYQUJCB-SXGWCWSVSA-N	467.146	5.633	10	40	JKCB	
Cc1c(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1	408932744	DVEYTNQNJJDRKY-IWIPYMOSSA-N	455.945	5.744	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2Cl)cc1	409003405	ZZJAXYZGSLOGNY-PXLXIMEGSA-N	462.933	5.590	10	40	JKCB	
COCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C1=O	409020639	RJZWWGJWQBSFDB-HKWRFOASSA-N	482.945	5.109	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl	409033058	KILAONGEIHWZTJ-RUDMXATFSA-N	465.205	5.894	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	409043482	MLZRLRBTONDVPI-JYRVWZFOSA-N	477.345	5.665	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	409050123	ZBUXCEOSBPJHAX-RIYZIHGNSA-N	453.709	5.102	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)o2)ccc1Br	409128135	IOZDFKFEPWKIRA-PACYTGELSA-N	464.406	5.398	10	40	JKCB	
CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12	409180057	UZCYSHJBQHNYPE-KWFGSIKXSA-N	483.571	6.847	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OC	409333332	RXLBJHKESXPBIQ-CXUHLZMHSA-N	482.446	5.594	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S	409350837	ZGPVZFPZKXZLIE-LICLKQGHSA-N	473.938	5.476	10	40	JKCB	
CC(C)(C)OC(=O)N1C[C@H](C=S)C[C@@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21	1570001149	JQLSABPOUBLMOP-XFQXTVEOSA-N	456.608	5.690	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)ccc1Cl	1791596	UXNIGLZUXOFVQG-UHFFFAOYSA-N	467.871	6.257	10	40	JKCB	
CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1	2204806	MQBBLWBTWOWGTA-YVORESIASA-N	475.614	5.758	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1	2263173	UUCUAJMTBZUDRY-LPYMAVHISA-N	484.443	5.244	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(Oc3ccccc3Cl)nc12	2439543	IEDHMMVZWRSDEY-BOPFTXTBSA-N	471.991	5.058	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)C1	8788926	YLIOVEBMEADVCA-AWEZNQCLSA-N	451.906	5.157	10	40	JKCB	biogenic
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1	8821692	GIDQNAFNENLUTE-XKZIYDEJSA-N	478.957	6.008	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)cc(CC)c4)c4ccccc34)C(=O)N=C2S1	9113700	UEXHPCZGEUAOJV-VMJYKDGMSA-N	499.640	6.010	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9233014	OEPNVVXILGYOQZ-ZVWBETBCSA-N	491.979	5.863	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	12285203	WGDVGOJDNPECFL-AKZCVUIYSA-N	492.601	5.189	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	13765872	FTSIRSCEVIOCHL-BXDFRRGMSA-N	475.591	5.877	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(C)c(C)c2)cc1	20288920	NWRZCODAXSJVQP-MOHJPFBDSA-N	468.582	6.059	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	58822070	MASLONAYGXRUCJ-YZSQISJMSA-N	452.941	6.878	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc2ccccc2c1	100525447	MRIPRESLWFCIBX-WHEOYJBGSA-N	456.487	5.747	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223613605	ABUDAKCPZDJMOI-NLKUQUHMSA-N	450.673	6.901	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223903141	HYLXEARUBWIKTO-RRPNLBNLSA-N	482.657	5.436	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	223955266	ZVWLOKNZSFCNRW-WUFINQPMSA-N	495.652	5.194	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	260927643	ZIDCAKUADNDIJK-UIOOFZCWSA-N	454.643	5.886	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408741498	JGQUKRQZLGBLIR-XDHOZWIPSA-N	463.873	5.817	10	40	JKCB	
CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Cl	408834601	LKLLGYUPSNQXPB-GHXNOFRVSA-N	473.234	5.077	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1	409096630	KDISILWRTTWHAQ-JAIQZWGSSA-N	470.754	5.607	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1O	409099221	PSFHAEQGITWISD-DEDYPNTBSA-N	480.542	5.198	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)c(C)c1	409128217	DXCFYPBKIGMGQG-ODLFYWEKSA-N	498.435	5.849	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(C)C	409145337	OLKUTRRNPJNDLA-UDWIEESQSA-N	491.034	5.381	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br	409220726	DYMHCLNVMFXGCW-XDHOZWIPSA-N	479.827	6.185	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(=O)OC	409345691	IVHRKJKZDDHTFV-HMAPJEAMSA-N	479.579	5.196	10	40	JKCB	
O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1cccc(C(F)(F)F)c1	409349291	VNYXCNPAWVJXBJ-OMCISZLKSA-N	483.334	6.355	10	40	JKCB	
Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1	686335	QBGWLDKOBAGCRK-UHFFFAOYSA-N	489.424	5.628	10	40	JKCB	
CN(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Br)cc4)ccc3o2)cc1	989778	SWKVPNXFEBJIGG-UHFFFAOYSA-N	466.335	5.341	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccccc1	1409479	GXQLAYQNDMAWHA-KGENOOAVSA-N	455.901	5.850	10	40	JKCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	2050663	DJWOJOFPPWVWLY-ZSOIEALJSA-N	491.297	5.716	10	40	JKCB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1	2378282	XFBYMRLKVLBAPO-JWGURIENSA-N	463.628	5.987	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S	2672457	XGOAWPFGXHOEEG-GBWQBGJGSA-N	491.037	6.219	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)C(=O)N=C3S2)cc1	8451384	SFNKBHCTXHTRCL-BPOWYZMYSA-N	457.534	5.209	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)cc(Cl)c1	8820427	JPNQVSKWMXYDME-DFBITEFZSA-N	463.411	5.780	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820485	MGMQMLUWZOCWDR-ICWNOLGCSA-N	452.601	5.262	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccc(Cl)c(Cl)c5)o4)S3)CC2)cc1	9280880	VBQDOUFUNSFNPX-HZHRSRAPSA-N	498.435	6.354	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	9309809	CZFBXLNGJDOLJX-RQFVJUFOSA-N	468.026	6.337	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1	9311289	FXHNFBNLZXCQMV-HAVVHWLPSA-N	476.488	6.529	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1	9553451	BSNNZAOIDSEZIT-SAHIIKMKSA-N	472.516	5.585	10	40	JKCB	
CCc1cc2c(SCC(=O)Nc3cc4c(cc3Cl)C(=O)c3ccccc3C4=O)ncnc2s1	9630724	QAPBZXFRQMQDNB-UHFFFAOYSA-N	493.997	5.413	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1OC	9805179	FGZDGHZXRFEERU-ISCCLHIJSA-N	490.625	5.948	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1	14543299	BTJXLHONUAHCBZ-VYKTZEHYSA-N	474.626	6.329	10	40	JKCB	
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	20528486	CWWXXCGZWODCAZ-JXMROGBWSA-N	473.356	5.751	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	41083152	ZVNCWYHRDMGEDB-PPIATVRMSA-N	490.032	6.542	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58846955	UCURJGQUBOWVAO-SRGWNRLKSA-N	454.954	6.106	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N1c1ccc2c(c1)OCO2	59104657	QBMGJYAJUNEBIO-OEAKJJBVSA-N	492.487	5.654	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Cl)c2O)SC(=S)N1c1cccc(Cl)c1	59514496	IOQUWWNGDFULRM-WLRTZDKTSA-N	461.189	5.867	10	40	JKCB	
Cc1nc2c(c(-c3ccccc3N=O)c1C(=O)O[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C(=O)c1ccccc1-2	221817395	QCFQLASOCIGVFK-GATQBYJTSA-N	480.564	7.038	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1	223384527	GRYQGQKRQQZULQ-CLJLJLNGSA-N	473.045	6.315	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223459518	JIZGCXZNDYMGTG-SVBPBHIXSA-N	467.642	5.619	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4cc(C)cc(C)c4C)c3)CC2)cc1	224281813	ZZLREKSDGAPYPR-UHFFFAOYSA-N	474.601	5.170	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1	224964006	RLKVEHVRJBVEFU-UHFFFAOYSA-N	473.960	5.633	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225503267	QJCBRWIVYPPVCP-SXOMAYOGSA-N	481.625	5.100	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)cc21	260772397	NMDWFJLAMXJMRM-GOTSBHOMSA-N	455.071	5.995	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1c(C)cccc1C	408571299	AYUJLNCOCQHRHK-BKUYFWCQSA-N	484.643	5.329	10	40	JKCB	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C	408754875	AFFZJJQIINGFIO-BUVRLJJBSA-N	450.498	5.147	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2cccc(Cl)c2)c1	408799827	LREXVZGNFHNPFY-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408890633	WUXDCYTVPGKULW-OEAKJJBVSA-N	484.552	5.174	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccccc1	408902801	ROJFMVZMYWLYKZ-WPWMEQJKSA-N	476.626	7.249	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12	408904513	KSYOEUXTKLHHII-KOEQRZSOSA-N	497.392	6.987	10	40	JKCB	
CCN(CC)c1ccc([C@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1	408973651	NMYOGJVLSBKGOK-QHCPKHFHSA-N	471.655	6.103	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3S)C2=O)cc1Br	408983395	BNFDOCDHIOODJT-XMHGGMMESA-N	478.411	6.608	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409088656	GFBQPJMAFGTXTQ-YZSQISJMSA-N	499.397	7.407	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1	409105131	JGNPZRGZIZPGFL-KGENOOAVSA-N	464.999	5.631	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)NC1=S	409175577	ZYLJUCFUFSGUQO-CJLVFECKSA-N	481.577	5.087	10	40	JKCB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c1	409203209	WPLWQXWZEUYAJH-UDWIEESQSA-N	494.550	5.042	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl	1186421	JQIZWPJVGKYBAX-JLHYYAGUSA-N	488.308	5.833	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	4107012	FFIWQQAFGYWZQA-BUVRLJJBSA-N	461.993	6.138	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6144591	LQJTURQEFGILOO-RLSLOFABSA-N	459.929	6.172	10	40	JKCB	
Cn1c(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)nc2ccccc21	8869979	ZUWWIAGBFDPTNI-OQLLNIDSSA-N	453.898	5.651	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)c(CN2CCCC[C@H]2C)c2oc(-c3ccccc3)cc(=O)c2c1O	9300637	QGPIZOQEGOUCIZ-VQTJNVASSA-N	476.617	5.620	10	40	JKCB	biogenic
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(OC)cc4)cc3)C(=O)N=C2S1	9501647	SGUYYBNZDMFALU-JRNAOYQWSA-N	492.601	5.208	10	40	JKCB	
CCCCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc12	19793045	BGIMWPIDISJJIB-UHFFFAOYSA-N	463.496	6.494	10	40	JKCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc21	20059375	DWPFPDBTXMQQRL-GKXUUXLPSA-N	478.390	5.298	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1	27519423	KNKIWSBVLOYGQD-HEHNFIMWSA-N	498.376	7.189	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(O)=NC(=S)N1c1ccccc1F	27532420	HHRARRALGREBDN-CPNJWEJPSA-N	466.921	5.730	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\N=C(S)N(c4ccccc4)C3=O)c2C)cc1	34930409	PGIFQQCKXXKGNQ-ULJHMMPZSA-N	473.598	5.725	10	40	JKCB	
O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21	58847482	MNLBZFVHIOYZTC-GLDPYIMESA-N	480.973	5.666	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)cc1	83302468	DEKWLXAOVOFWJC-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
COc1cccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OC(C)C	96115079	FUGUXEPADIKDCN-QGZVFWFLSA-N	488.492	5.108	10	40	JKCB	biogenic
COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)ccc1OCc1ccc(F)cc1	96398855	TZWGGUJGKTWUQR-LPYMAVHISA-N	495.553	5.517	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	102032597	NVYIPSZLOYKJNT-GPHNJDIKSA-N	491.650	5.351	10	40	JKCB	
CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	108974251	NZBCFQBLLZPZQD-WJDWOHSUSA-N	477.344	5.237	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1Cl	222923627	YPNYUUCTJIWEIQ-DHIUTWEWSA-N	473.473	6.424	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101549	NPNWLCQIZSEFFX-SVBPBHIXSA-N	458.675	6.411	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Cl	224432857	JVUOZTIJOKQRJD-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224533976	FVHNBVHPWUTGRZ-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Cl	225015510	MVTAHRSFYCPQPU-BJKOFHAPSA-N	451.039	6.058	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3c(C)cccc3C)SC2=S)cc1	408575562	MLLRPUJDMMCNGN-HAHDFKILSA-N	488.634	6.035	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1	408757790	CCGBSJZWGFBEBQ-GIJQJNRQSA-N	488.758	5.721	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1cccc(F)c1	408865635	BREPODDYDVSZBU-KGENOOAVSA-N	492.934	5.443	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O	409019683	KDMULONQCXCUME-SFQUDFHCSA-N	493.810	5.065	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1	409134526	UGSUPKUYYFXYEO-UQQQWYQISA-N	486.618	6.135	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1	409343965	FBOMQNHWOVDMMM-ZHZULCJRSA-N	452.626	6.211	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409344270	IHCPSZZPLMBDBX-GRALHKOYSA-N	450.810	6.455	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccc(OCC)cc32)S1	2217377	BAHFWJHWFDBCPN-CLCOLTQESA-N	483.680	6.740	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1	2224127	FZVPGTMFNSBRMC-XLKFHUSGSA-N	491.591	7.018	10	40	JKCB	
C/C(NCc1ccc(Cl)c(Cl)c1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	8431459	UMPWVLJNDUYMTN-MHWRWJLKSA-N	485.318	5.932	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)c(OC)c1	8821283	WKUNDPDPFAUWDC-QRVIBDJDSA-N	498.025	6.342	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	9188722	KHZTXISAZCVPAS-HAHDFKILSA-N	490.606	5.129	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)c(C)n1-c1ccccn1	12534858	DVYWYRNYYAUQLU-NRFANRHFSA-N	491.592	5.041	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1	12615077	FHKCVDFAJMBRJH-IMRQLAEWSA-N	462.553	6.133	10	40	JKCB	
O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12	16525448	DDTIQZSCFRQGDN-YDZHTSKRSA-N	471.513	5.609	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1Cl	33430351	NGRGCQHTISEDIH-QNGOZBTKSA-N	478.035	5.808	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	36081325	FSIPORIHGFXNLN-DXBVXKBHSA-N	470.525	6.177	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Br)cc1	38203235	ASFCABRHBNMMPA-DEDYPNTBSA-N	495.304	5.674	10	40	JKCB	
Cc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c3ccccc32)c1	41082967	PVCPBOVMWIGXCU-ODUHAEHHSA-N	499.640	6.002	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58847210	ZXKGWTBKBAVTBF-XLNZFTOWSA-N	471.409	6.621	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(Cl)cc1	59135271	ZIEJCRVXLZEHIP-FYJGNVAPSA-N	494.906	5.964	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466781	WBHYAFNBRVHHET-FTJBHMTQSA-N	488.060	6.019	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224305846	BAYYYLQWKSMCLF-IZLXSDGUSA-N	496.636	6.012	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225527718	WDNSSKRTNRYWOA-WUFINQPMSA-N	495.652	5.490	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)cc1OC	408754678	GRZMWITZJSLICY-FYJGNVAPSA-N	477.358	5.609	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc(Cl)c1	408757037	WAMDRZZZAOVGOM-LICLKQGHSA-N	488.758	5.721	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	408758051	UUERXHYCEJUXRU-IWIPYMOSSA-N	451.486	5.357	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O	408835692	ZCRZRPZYDGKUDK-YZSQISJMSA-N	492.531	5.402	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1	408846674	YGRGNRSTNXVYII-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)cc1	408882520	OSILWBHSPJFFTK-KQWNVCNZSA-N	466.468	5.224	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)SC(=S)N1c1ccccc1	408901941	JFGGXDHQHRFMML-PCLIKHOPSA-N	488.033	7.478	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409051121	AFVCVJRQLBVLNV-UQQQWYQISA-N	454.570	5.978	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409061238	CCKCJCONRZAXRQ-BKUYFWCQSA-N	495.406	6.587	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC1=S	409145737	JDPOCVFVXMQTBP-OCKHKDLRSA-N	491.863	6.327	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409202277	QNBHHJOTYKYBNG-LPYMAVHISA-N	452.963	6.387	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409368994	WRCLKEJQDCHZRQ-HIPMGEKLSA-N	496.441	6.109	10	40	JKCB	
CC(C)c1ccc(OCC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2O)c(C(=O)O)c1	2037854241	CMUPZAFTXOFXFP-UHFFFAOYSA-N	486.568	5.345	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	1260284	ZQDNHTJLFJFLGE-BOPFTXTBSA-N	450.379	5.262	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1-c1ccc(OC(F)F)cc1	3351346	HZUFEYFZCXQTOT-UHFFFAOYSA-N	468.250	5.091	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14406634	BQBNYRXMFMACFI-ITYLOYPMSA-N	453.538	6.480	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16000780	YGHHAFOYBFPGEP-CCDWMCETSA-N	498.922	5.271	10	40	JKCB	
CCN(CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccc(Cl)cc1	16982936	MDPILQBVLXUFDI-VWLOTQADSA-N	496.482	7.979	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[C@@H](C)CC1(C)C	223539662	CCWQMUQSRVBNBB-GLFIFPSUSA-N	465.575	5.943	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)nc1	225049726	RLOSCQCMPHVEHR-IZLXSDGUSA-N	496.684	5.667	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	260565493	ITUQLBLRTMSXQW-SVZNOHIVSA-N	482.049	5.672	10	40	JKCB	
CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C(=O)O)n[nH]1	408631534	KBXVPCHNOQBXKC-BOPFTXTBSA-N	461.385	5.145	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)c1	408780896	MTIOLWNMAPBUAJ-BUVRLJJBSA-N	497.982	5.935	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1	408807579	CTLJNPCTDLQMBB-BUVRLJJBSA-N	465.578	5.138	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C1=O	408813501	NJBGDQDINGZSKG-DEDYPNTBSA-N	481.335	5.547	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C	408903267	WRVMYMIBVWDACA-VUTHCHCSSA-N	461.565	6.479	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408966780	NLPLROQWKPCFLS-XYGWBWBKSA-N	484.600	5.231	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1	408971395	NSDIBATYMJPMGG-WDZFZDKYSA-N	490.073	5.266	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(Cl)ccc3C)C2=O)cc1Br	408986320	PQWJUFWNYNMKJO-DEDYPNTBSA-N	494.816	7.281	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=S)N1C[C@@H]1CCCO1	409078207	IALULSGOMNPHKV-BCUAHEQISA-N	480.438	5.953	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)S1	409078862	DKOMGTQGDBDSBZ-OMCISZLKSA-N	490.195	5.986	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)c1	409338383	IWLSJDWJZFXXCB-YBFXNURJSA-N	488.011	6.426	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1cccc(F)c1	409346453	KQYCZLNDXLNOOI-MFKUBSTISA-N	471.578	6.964	10	40	JKCB	
CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N(CC)C1=S	1406660	DXKWQMRPFYORDP-UHFFFAOYSA-N	457.599	5.140	10	40	JKCB	
COc1ccc(Nc2cc(N3C[C@@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2323602	BTTDGFPIGQIHLD-HZPDHXFCSA-N	455.514	5.405	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccc(F)cc1	3269130	UMNPTWMRNOISKE-UHFFFAOYSA-N	469.822	5.096	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1	9158568	SEHYQXFYBYKUPL-JPYMLIEVSA-N	465.648	5.937	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1[N+](=O)[O-]	9310262	SFQZEWGHMWEBHL-YBFXNURJSA-N	467.484	5.477	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc21	13686449	GJVDOVXLMWBWDY-KQWNVCNZSA-N	483.499	5.675	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(F)cc1	13799054	JMKQEOBHWOKVGZ-VBQUMQFVSA-N	499.567	6.108	10	40	JKCB	
Cc1c(C(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)oc2ccccc12	13810075	VWHHPOOJBMPFNX-FYJGNVAPSA-N	475.547	5.955	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1	16216693	PMTQPCVJKCYJBM-OYKKKHCWSA-N	495.597	5.823	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)cc1	16678620	OMTMBFLFEBHBJH-UHFFFAOYSA-N	458.587	5.397	10	40	JKCB	
N=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	19997546	MDRSSYYEXRHIAA-WLKIOIGBSA-N	467.550	5.449	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc(OC)c(Cl)cc2OC)cc1	20289181	UNWRMZIHSTUCCR-JLPGSUDCSA-N	477.948	5.503	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)S1	32110005	FFMUQHZIGSCSLM-CIAFOILYSA-N	481.371	5.288	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	35126201	YUXIBZFAKNLUOF-KZVRHOHFSA-N	491.617	5.311	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3Cc3ccccc3Cl)C2=O)cc1Cl	41108873	ITOUXNIEULJBPP-WQRHYEAKSA-N	454.313	5.658	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847355	WIEZTYGMIUJBPW-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@@H]32)c1OC	107173388	VVMZJLWTGKRRJZ-FUMQJTLXSA-N	480.561	5.470	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1Cl	222833223	SXMZREKDAPEQIR-YADHBBJMSA-N	459.446	6.177	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222836827	OMQWQGLMIQUOFC-XZOQPEGZSA-N	455.027	5.532	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223095969	ROAKGMHJFHFVGF-RRPNLBNLSA-N	458.675	6.357	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)nc1	223392708	JJVZUIXXNQPRPR-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224303581	RLVNJAFYFNCQFT-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408639259	FJMRAGYOLYIFTJ-JOCHJYFZSA-N	450.538	6.241	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)c1	408759833	MMNSTEOKLATDJT-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C1=O	408770850	ALAOJAZYOVWUJB-HKOYGPOVSA-N	461.521	5.428	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	408900498	TVDAVFBQCGXMIF-KQWNVCNZSA-N	490.943	5.374	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(C2CCCCC2)cc1	408986674	SIIGMQGGXMNNCU-JJIBRWJFSA-N	474.431	8.512	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(N(C)C)cc1	408986770	DNJMCOKZVXKCQJ-OAQYLSRUSA-N	478.445	5.830	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)S1	409026929	IEYXXPROBBYQRY-MYYYXRDXSA-N	452.535	5.678	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C	409070483	YIQBZJIDWBGBEW-XSFVSMFZSA-N	478.017	5.450	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c(C)c1	409096355	KWFDGLIFCPTKOZ-LDADJPATSA-N	482.367	5.684	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S)c1ccccc1	409182895	PSQUMJUHVVVDFF-WOJGMQOQSA-N	475.378	5.800	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O	409196928	SMEGKUMPQIFDLS-XDHOZWIPSA-N	459.434	5.764	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1C	409243439	WKBPALVWBGFVRH-HAHDFKILSA-N	483.568	5.277	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)c1	409348459	STTUXMFFGHQHHS-YBFXNURJSA-N	488.999	6.636	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1c1ccc(F)cc1	2235452	XMURCPLVBUKHAE-WGOQTCKBSA-N	489.506	6.489	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)CC1	4290111	BGJZAVLLBGHOOF-UHFFFAOYSA-N	483.486	6.695	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1	9188750	GFPCWDZYQUQKTF-HAHDFKILSA-N	474.607	5.429	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	9763311	PRLJSRVZWIPGCE-JCGVRSQUSA-N	465.185	6.055	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1	12412744	GRYIGAVGJLMOMY-BOPFTXTBSA-N	457.338	6.080	10	40	JKCB	
CN(CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1)Cc1ccc(N2CCCCC2)cc1	12608887	GHDVRESDRXNTKR-UHFFFAOYSA-N	494.039	5.003	10	40	JKCB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	13370393	XZHSEDBTXHCPFJ-HZHRSRAPSA-N	498.435	6.042	10	40	JKCB	
Cc1cccc(OCCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	13801834	NBZLNCVZZGAXMP-FBJHWAPASA-N	495.604	6.147	10	40	JKCB	
N=C1/C(=C/c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12	33448690	BUJZFTYSGGORKN-PKDRVQFCSA-N	492.944	5.058	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)ccc3OCc3ccccc3)S2)cc1	34881061	PEZFJHNMBLYCNU-HMAPJEAMSA-N	479.399	6.419	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1	58846008	MWRQHNNDKHQXFR-SGIRGMQISA-N	461.543	5.531	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1Cl	59135330	HUBXSYRUVLSCRL-RGVLZGJSSA-N	495.894	5.180	10	40	JKCB	
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102722387	KRJYEFZBUAXKED-DNVJHFABSA-N	482.367	5.111	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223578295	WVGMAXINHUCFID-REIAIGDLSA-N	482.049	5.592	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(F)(F)F	225014528	FEGTXNZBFPIWNS-ZEQRLZLVSA-N	484.591	6.423	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019514	LQQSQYVBZMKJST-DQEYMECFSA-N	465.066	6.366	10	40	JKCB	
CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(C)=O	225035306	WPAPDWNFVBUPNK-UHFFFAOYSA-N	474.991	5.052	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)SC2=S)cc1	408575952	PGIXNZJWWQSUHG-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1	408759496	GALBXMFWRJVECJ-FYJGNVAPSA-N	451.295	5.431	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)c1	408787335	YAXHRLYTFNHNHR-WGOQTCKBSA-N	463.537	5.531	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1	408843305	FHUWQLZJWISMIO-YZSQISJMSA-N	484.600	5.224	10	40	JKCB	
Cc1cc(I)ccc1-n1c(C)ccc1-c1ccc(Br)cc1	408968162	WVANRUSHKMRRKF-UHFFFAOYSA-N	452.133	6.128	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C2=O)cc1	408984888	UCDXUWXICHDFAR-BKUYFWCQSA-N	490.943	5.156	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409061455	XFLLZPWODZUKTB-MYYYXRDXSA-N	489.015	6.632	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)N1CCCCC1	409124505	AQSKLJZWTRLGGP-ULJHMMPZSA-N	489.666	5.098	10	40	JKCB	
CC(C)Oc1ccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)cc1	409125595	DAMSNJZUHNFQEY-HMAPJEAMSA-N	452.601	5.339	10	40	JKCB	
COCCN1C(=O)[C@@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC1=S	409145804	PTIAJUYUDVXIIS-QGZVFWFLSA-N	474.406	5.129	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cccc2ccccc12	409220958	IJWRVSCZJLKOJE-AFUMVMLFSA-N	499.567	6.061	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2	409329107	CRWZJCVONWBKMF-CVKSISIWSA-N	497.597	6.553	10	40	JKCB	
O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc(Cl)c(Cl)c1	409363919	KARPDVQIEUWHDF-SYZQJQIISA-N	455.300	5.036	10	40	JKCB	
Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccc(O)c(O)c2C3=O)cc1	4706996	SYLQIUPVHTXOJL-UHFFFAOYSA-N	450.494	5.977	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccccc5F)CC4)=NC3=O)o2)c([N+](=O)[O-])c1	8821886	SYGUASFJZCSQSK-HZHRSRAPSA-N	492.532	5.095	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2	9232853	ADWOYMPSKKOTID-SSDVNMTOSA-N	481.982	6.054	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C	9290720	JXFFHVYQJIUFLU-IXODWGBUSA-N	463.950	5.316	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)c1C	9293694	BHNOAXBXYSNGCH-HUEMJPGFSA-N	497.624	5.663	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	9293706	KTMCYRRNFDHCNA-SSOZYACPSA-N	474.417	6.210	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	9553772	FZSFHBKRKLELFV-UAZDWJKHSA-N	482.993	5.607	10	40	JKCB	
Cc1sc2ncnc(S[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2c1C	9612526	NLMJBVABDOEFHV-CQSZACIVSA-N	473.579	5.203	10	40	JKCB	
COc1ccc2ccc(O)c([C@H](c3ccccc3)N3CCN(C(=O)c4cccs4)CC3)c2c1	13097037	YGXXIVUCGJDLEZ-SANMLTNESA-N	458.583	5.163	10	40	JKCB	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)Nc1ccccc1C(F)(F)F	14153071	CCTBFQLSPAACBF-UHFFFAOYSA-N	450.844	5.483	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	15218473	XEDPWZUJSGAHKG-TXTKFYIRSA-N	464.790	7.160	10	40	JKCB	
COc1cccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@@H]2c2ccc(N3CCOCC3)cc2)c1	15219323	AYULBOXVHKIVEG-HHHXNRCGSA-N	490.991	5.113	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1	16678629	XVACJKKNEPJVIX-UHFFFAOYSA-N	486.641	6.591	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cc(Cl)ccc4[N+](=O)[O-])N=C3C)o2)cc1	32099584	CRPLHSLRMWRRRL-UYRXBGFRSA-N	479.876	5.491	10	40	JKCB	
CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)cc2)CC1	32956408	CWBAJJQWTAYWAM-UHFFFAOYSA-N	496.032	5.177	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccccc4)c(C(=O)O)c3)C2=O)cc1C	33316863	HFEMBOIBQSTMLH-HMAPJEAMSA-N	470.481	5.087	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58849891	RWRIVQHWIPYHBV-SGIRGMQISA-N	476.554	5.021	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c1	106689157	HAOHHRQNEKIGSH-GRSHGNNSSA-N	474.321	6.188	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CSc1ncc(-c2ccccc2)s1	118914473	RUPJLEKJZUBHKS-GURPLIFNSA-N	481.771	8.066	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	208227557	HQOHBRFLXDDQSP-SUVVMJBMSA-N	493.629	5.401	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)n1-c1ccccc1	224385125	VYTIWEQHHFJKNP-SVBPBHIXSA-N	452.627	6.481	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438902	YFBFOLAIALXKFB-RPWUZVMVSA-N	457.578	5.509	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	224464277	GABFJMGGOJEIDT-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1F	225043720	QHWCQOAOLYNRHQ-NSOVKSMOSA-N	499.659	6.103	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	408571344	BDCKBRIAGQKDFZ-HAHDFKILSA-N	492.597	5.811	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3)SC2=S)cc1	408574762	CTOSATZELQZRKA-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COc1cc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408736099	FHDPDIBLERKTHT-WYEJZRMESA-N	452.381	7.408	10	40	JKCB	
CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1CC=C[C@@H]21	408736175	JMRPARAEMFTVLY-WWDWLDGVSA-N	475.588	7.422	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C3CCCCC3)cc2)cc1	408780157	UCOUYQXZHDAFOP-LGUFXXKBSA-N	464.565	7.422	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(N3CCOCC3)cc2)cc1	408787088	RAKKLOVOYNAYSK-PTGBLXJZSA-N	467.525	5.211	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3cccc(Cl)c3)ccc3ccccc23)C1=O	408812274	SBAZEWOBNQDMJW-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCC	409003016	YBTPMAKZRYXFEX-RGEXLXHISA-N	456.336	5.115	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)o1	409327042	HAZIJMNMDMHBMP-OEAKJJBVSA-N	471.559	6.512	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409340221	SLLBZHSGTGZSPB-RQZCQDPDSA-N	479.377	5.550	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1	409341229	AELGWKHNIBNFJS-YVLHZVERSA-N	473.938	5.476	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1	409345625	JSXRNLNVYIALFA-HYARGMPZSA-N	494.569	5.258	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)c(C)c1	409387738	PYERVVFLYJCFSM-UBKPWBPPSA-N	462.379	6.122	10	40	JKCB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N(c1ccccc1)c1ccccc1	929898	LVEUGNOIMFQZAX-RUZDIDTESA-N	469.610	6.186	10	40	JKCB	
CC(C)C[C@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O	1782189	HBDBGQMJGQFEMC-LEAFIULHSA-N	492.575	5.462	10	40	JKCB	
CCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1c(OC(=O)COc2ccccc2)ccc2ccccc12	2063570	HCVHKZNVBXUKHQ-PMERELPUSA-N	482.580	5.506	10	40	JKCB	
CC[C@H](C1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1)c1ccccc1	9057237	DXSGHFVUZGQKDJ-FJIOCMFRSA-N	459.358	5.512	10	40	JKCB	
COc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)c(OC)c1	9109838	XICJQYWXYQOLTN-XHPQRKPJSA-N	499.636	5.081	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2Sc3ccccc3N12	9237240	NGZVFNSMCXKWOS-LUXHBGHRSA-N	487.580	6.039	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	9678618	NIBNDRCGYBCROS-HEQHKCQXSA-N	490.090	6.923	10	40	JKCB	
O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	9934768	PEWRSEZTGASBBB-UDWIEESQSA-N	450.321	6.159	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)c1	13151544	SOAFFYNTNJRBTG-SGIRGMQISA-N	476.554	5.021	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc2ccccc2c1	13810584	GXVMPUJIBZIQDX-BUVRLJJBSA-N	453.473	5.893	10	40	JKCB	
O=[P@@](c1ccccc1)([C@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1	16490967	VACSDOJFRUDLQZ-BTYSJIOQSA-N	477.383	5.729	10	40	JKCB	
CC(C)c1ccc(/C=C2\SC(=S)N(c3ccc(I)cc3)C2=O)cc1	16575744	SMXVWJORKLAKDX-BOPFTXTBSA-N	465.381	5.820	10	40	JKCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc2ccccc12	20287654	OCCVIFXAWHWZCT-HAHDFKILSA-N	456.527	5.101	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1	33933229	OVWGXHKCOOADAM-YRKOIEFQSA-N	459.619	6.074	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\C(=O)N=C(O)N(C3CCCCC3)C2=O)c2ccccc21	59109557	GKJBKJLKDVPGKS-HKOYGPOVSA-N	485.584	5.418	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139061	BNWFBPYVLQFPEE-JJIBRWJFSA-N	492.487	5.537	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1	83315429	GRGRIQJWLVJBFJ-DEDYPNTBSA-N	450.853	5.565	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2	102719689	FGXRBQFPIUKGOG-XHCCPWGMSA-N	479.536	5.905	10	40	JKCB	
C/C(Nc1ccc(Cl)c(F)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103921018	SFCOTEPTKNZYFW-STZFKDTASA-N	462.937	6.226	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224605002	NYFALYTYEHQHFO-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224898521	GFELYUSXPRLULS-NSOVKSMOSA-N	484.644	6.676	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Br)c1	225016274	LUACHVLJCQJQCP-ZEQRLZLVSA-N	495.490	6.167	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	408572770	ICKCVAZXBBIMQB-HAHDFKILSA-N	488.634	5.722	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Cc1ccccc1F	408865349	DBWIHEAAZKIRON-DJKKODMXSA-N	499.325	5.398	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)C2=O)cc1	408896062	GMTPLBGXGFNXKL-ULJHMMPZSA-N	470.525	5.029	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)CC	408901402	FAJBLMHJUFHSPL-ITRAFESCSA-N	492.460	6.431	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Cl)c1O	408903301	XBJUYWIZZQKGEY-XYOKQWHBSA-N	456.770	5.223	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C	408963865	BCAVWVKEOLUAFQ-UCQKPKSFSA-N	461.543	5.801	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409058264	KCMPOVDPBKPUOW-JLPGSUDCSA-N	472.560	6.234	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	409144619	MCGPUGZWUXIPIG-DEOSSOPVSA-N	481.614	5.427	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O	409229787	VAZKUHGQBNDORW-VBKFSLOCSA-N	471.296	5.319	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c(C)c1	409230610	DIUBGCVDLNLRAQ-FYJGNVAPSA-N	475.976	5.648	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)c1	409344170	FZGDADWJLJETER-HYARGMPZSA-N	492.647	5.832	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S	409344509	JNXLKJZOPVFQBN-ONUIUJJFSA-N	483.614	6.833	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S	409368824	ODKOUSQLVLMITI-VGOFMYFVSA-N	458.779	5.585	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(C)c3C)c(OC)c2)SC1=S	2878357	ZTEWOKYJYZESGF-JCMHNJIXSA-N	457.617	5.381	10	40	JKCB	
Cc1cc(/N=N/c2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)c(C)cc1O	4065218	JTRVERVQDITXOA-QVIHXGFCSA-N	454.530	6.602	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c1	8990084	JVIAXVQLNLMPNS-XKZIYDEJSA-N	492.373	5.140	10	40	JKCB	
Clc1ccccc1-c1noc(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1	11644298	CDQAFHWHDDXVGN-KRWDZBQOSA-N	452.967	5.725	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccccc1Cl	12032277	YOPWBAVNRUPECD-WJDWOHSUSA-N	481.824	5.333	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1	12032422	KJHJVNVSKXAONX-CAOOACKPSA-N	485.845	6.185	10	40	JKCB	
CCOC(=O)c1c(C)sc(C(c2ccsc2)c2sc(C)c(C(=O)OCC)c2O)c1O	12413796	BHLDUKFJXATUGT-UHFFFAOYSA-N	466.602	5.433	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1	12634936	OFOZSAOVRIAXIS-UHFFFAOYSA-N	461.518	5.032	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222620292	JLMHWRINDACEPP-MPMWTEJESA-N	453.011	5.740	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223347565	FTPVXMKPJNTBRV-DQEYMECFSA-N	458.587	5.263	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1C	223464623	RWZFEWXUNBSNAA-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223498751	HTZUCNDLDOWRAE-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437243	UWQCDYJMDDHOON-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Cl	225015549	MVTAHRSFYCPQPU-ZEQRLZLVSA-N	451.039	6.058	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020296	STRCSHYLOPPGRB-RPBOFIJWSA-N	481.065	6.066	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)NCC(C)C	408584292	NVPGJCOQVSVZIR-UHFFFAOYSA-N	485.005	5.066	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408692312	JOEVAVSWTJREPJ-UDWIEESQSA-N	482.964	5.031	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	408756399	UWESIZGNVQVVOL-FYJGNVAPSA-N	453.325	5.845	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1	408813806	DSKSFFAHHVCGCA-UDWIEESQSA-N	497.979	5.117	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Br)N1c1ccc(F)cc1	408840700	DCWUHMSITRFRDX-CPNJWEJPSA-N	466.266	5.331	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl	408869773	UBYPYPARLSEZSK-UHFFFAOYSA-N	460.917	5.712	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	408873038	QZUCEXXPZOFTCK-OYKKKHCWSA-N	460.961	5.933	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1	408882055	MZMULALYSALIJF-BOPFTXTBSA-N	469.299	5.390	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1	409156533	GETCDDXXPJKSOC-JMIUGGIZSA-N	471.893	5.982	10	40	JKCB	
CCOc1c(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cccc1OC	409193491	DSPUOWPKSLGZBA-MHWRWJLKSA-N	450.379	5.262	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C	409221661	UMNZIYPVAXRRCY-UDWIEESQSA-N	494.016	5.204	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c(C)c1	409241527	OCWJGKUMABIXCR-YDZHTSKRSA-N	465.018	6.909	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc(SC)c3)C(C)=C2C(=O)OC)cc1OCC	409380674	PMQOKSPKGIBQEF-STZFKDTASA-N	467.587	5.473	10	40	JKCB	
Nc1c(N=Nc2ccc(C=Cc3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	2049241017	SEKGXFZFHGAXJW-UHFFFAOYSA-N	469.526	6.131	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl	2121543	BMWJWCAGBYWHAU-HYARGMPZSA-N	474.047	6.462	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1	2218379	IJMKHQVXOQGPBH-CSUZIONRSA-N	471.557	6.123	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1ccc(Cl)cc1	3430876	LFFKWVQOOQAKRF-UHFFFAOYSA-N	467.934	5.501	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1	6573939	NHFLALHVQLPACH-KVKAEQRUSA-N	482.993	5.560	10	40	JKCB	
COc1ccc(N/C=C2\C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1Cl	8437833	OURRMMAVECLCEC-JLPGSUDCSA-N	476.020	6.535	10	40	JKCB	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1nc2cc(Cl)c(Cl)cc2s1	8955275	AWSNEIPZHYIYCK-ZDLGFXPLSA-N	495.347	6.346	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9274070	XHKPDCUZMCTPBC-KKUQBAQOSA-N	496.006	6.389	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1Cc1ccccc1	9311275	KQGXQXMVAIPMHX-RCCKNPSSSA-N	472.371	7.720	10	40	JKCB	
COc1ccc(N2CCN(C(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)cc1	9635132	UBHWUOMWOCAMRV-UHFFFAOYSA-N	484.625	5.193	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	12345685	FOMONYZKWRNGOS-ODLFYWEKSA-N	473.743	5.687	10	40	JKCB	
Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1F	13025197	KBOCXCMGRQIIEP-RUZDIDTESA-N	463.553	5.240	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1	13549148	QQEIQJQVZRSCJE-DEDYPNTBSA-N	470.367	5.039	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)cc1	13943179	PVNPGSSRAVXRCX-HBBMIWKISA-N	472.588	5.397	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccc([N+](=O)[O-])cc1	16450098	FLTAZGCAMHPKIG-UYRXBGFRSA-N	477.860	5.334	10	40	JKCB	
CCN(CC)Cc1cc(C(=O)C[C@@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	17061429	AARWOQDVALPBFX-MHZLTWQESA-N	465.615	5.330	10	40	JKCB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(Cl)cc(Cl)c2O)cc1	19330097	AZDJFIIWSGLZMG-UHFFFAOYSA-N	487.427	6.123	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O	27546633	XMUZXPGKDAKXIN-JCMHNJIXSA-N	472.566	5.156	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCc1ccccc1Cl	32109477	WYZZMJZVZGBGRG-HYQOKDGDSA-N	494.882	5.109	10	40	JKCB	
CN(C)c1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1Br	80348282	DTNJJOIXCIQWCT-XYSCVJGBSA-N	488.455	5.495	10	40	JKCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1C(=O)c1ccccc1	100524758	LZVNWRLBGAWGTP-QZSABBLZSA-N	499.983	6.570	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc(C)c1	113834271	CSMYKRJELSTPOX-YDZHTSKRSA-N	465.571	6.128	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223895025	TUSAJNFSYASRMA-URLMMPGGSA-N	495.696	6.295	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224399010	ZFFLQBWPSOJBKJ-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224831411	FBGNBVSJHIJRLJ-UIOOFZCWSA-N	485.613	5.078	10	40	JKCB	
Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1	225657330	ZCQVXNOCNVOYLI-VSGBNLITSA-N	495.652	5.490	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	408578131	VWBGRSTWYXMVBW-HAHDFKILSA-N	488.634	5.722	10	40	JKCB	
Cc1cc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccc2c(c1)OCO2	408634768	UGDDOYKUYBGPKT-UFFVCSGVSA-N	494.960	5.479	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408756227	OUBIKWORMTZARF-PXLXIMEGSA-N	491.341	5.079	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Br)cc2)c1	408759975	PIMNJOZBOWWJTH-UDWIEESQSA-N	461.315	5.321	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	408771174	FURCXLDWSXSUFY-KGENOOAVSA-N	476.985	5.714	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1C	408847332	UCBPEGZDLUJADG-BUVRLJJBSA-N	481.527	5.420	10	40	JKCB	
O=C1C(=Cc2ccccc2OCc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408891388	PVQRMOWYZYMXBB-UHFFFAOYSA-N	492.506	5.988	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1	408942574	ZKADITOJOLCVQI-UYRXBGFRSA-N	467.308	5.239	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1	408971307	FUKQYLJQYUSSCU-RGEXLXHISA-N	456.851	6.268	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409060540	XCVOTZBXMAERLO-OYKKKHCWSA-N	494.513	6.299	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409338429	JRPYVLVQMVUOAQ-JJFYIABZSA-N	465.527	5.539	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc2c1oc(=O)c1ccccc12	1614472787	JBZWXYXSJXSYML-YDNHHRFVSA-N	470.613	5.355	10	40	JKCB	biogenic
CC1(C)OC(=O)C(=CNc2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)C(=O)O1	2562199	GGZZFOYFLXKUKQ-UHFFFAOYSA-N	458.845	5.037	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)ccc1OCc1ccc(Cl)cc1	3771139	MKQUFWVUTLCXQT-UHFFFAOYSA-N	458.938	5.563	10	40	JKCB	
Cc1cc(N)ccc1/N=N/c1ccc(-c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1	4707345	NBZHFJRZIJHHCL-FUEWEDNTSA-N	451.486	7.479	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)c2ccc(Br)cc2)cc1	6135783	URVFWKHKPYIFBU-OCEACIFDSA-N	466.335	5.970	10	40	JKCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1	8820226	BTKUBWNMKCFALC-CXUHLZMHSA-N	492.072	5.289	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1	8872146	LGPSRYGMHBKHRA-PXLXIMEGSA-N	486.398	8.342	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1Cc1ccccc1	9089739	GAXLVTGSEFMAKE-JJIBRWJFSA-N	467.594	5.307	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	9158309	GOISOKBADWLJJN-AXZYZTBISA-N	473.989	5.723	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21	9273951	XPDSVOATPDVUNT-GSDHBNRESA-N	451.497	5.157	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1	9292324	LLXSAHYOLSGFBD-UHHWSGGGSA-N	471.380	5.764	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1	9345471	TWWORAUCIUDVBK-JLPGSUDCSA-N	491.682	6.636	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	15945528	DQPRSUPOVKVKLO-XKZIYDEJSA-N	496.997	6.541	10	40	JKCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1	38166348	BDBACVMQFUUHHQ-JCMHNJIXSA-N	451.482	5.346	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S)c1ccc(Cl)cc1	40940244	JONWPOAABAOVQU-XSFVSMFZSA-N	466.971	5.679	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c(C)c1	58846250	DSIWWVISBSTGDX-UNVFRBQDSA-N	475.570	5.839	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1Cl	205703057	IVSLVDZLSOMMGD-VXLYETTFSA-N	484.873	5.443	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C	208524268	PWOGMQARWUDFRY-HYARGMPZSA-N	459.615	5.157	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1	223460680	RLIRITRVMYMNID-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223533321	MGJICLKZGIJAEG-NPRIEWAGSA-N	451.954	5.119	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	223726354	PHDBDBHPEKBJLT-UIOOFZCWSA-N	476.646	5.032	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223821549	SSBDDFCWRCCKPV-XRKRLSELSA-N	496.680	6.682	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224208776	WFURNTKKCLIXQC-YTMVLYRLSA-N	480.681	6.845	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224341579	FGGUQYPYWBMHRV-SXOMAYOGSA-N	467.642	5.932	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F	224899012	JWFSEBUFPUCRBB-IZZNHLLZSA-N	474.580	6.253	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	226642689	ADFXQSMXDDBOKO-SIFCLUCFSA-N	463.315	5.144	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)SC2=S)c1	408527021	CZZDCXDKAOWELU-HMAPJEAMSA-N	465.690	7.274	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1	408756043	XHCMMQVRDPMKLS-LPYMAVHISA-N	463.990	5.141	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	408808631	JRNDTBZQWONOJQ-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1	408808811	GDEXRVYAXOXUQJ-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1C	408870562	TUJBKIOEOLREDY-JLPGSUDCSA-N	494.522	5.841	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cc(C)cc(C)c1	408892363	ARCKFUALCXMUSC-STZFKDTASA-N	488.515	5.087	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)C2=O)cc1	408898010	KKZBUOYNOIUTGO-BWAHOGKJSA-N	484.552	5.419	10	40	JKCB	
COc1cccc2c(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c(-c3ccccc3)[nH]c12	408972953	XHAFWERTCJHCJN-HKWRFOASSA-N	461.443	6.192	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCC	409034123	NGHPNQLJBYTZTD-IZZDOVSWSA-N	474.813	5.639	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)cc1Cl	409232160	NJCYPGLMVJAGPY-YDZHTSKRSA-N	492.044	6.011	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1cccc2ccccc12	409345826	KBBVSPWIMXFOSK-UQQQWYQISA-N	453.588	6.825	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=S)N=C2O)c1C	664819	WEJUNMDVTUUGOR-KGENOOAVSA-N	487.581	5.169	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(OC)c(OC)c3)sc3c2CC[C@H](C)C3)c1	920913	GJQSJZUMUZGGAC-INIZCTEOSA-N	496.629	5.772	10	40	JKCB	
CCOc1ccc2nc(NC(=O)CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)sc2c1	929894	SAXAUKFDXYAKHH-LJQANCHMSA-N	494.642	5.468	10	40	JKCB	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	1510987	JUHGSJBZVDODBQ-QOBZYLRHSA-N	466.378	5.020	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/C(=C/c3ccccc3)c3ccc(Cl)cc3)SC2=S)cc1	2119988	WGKPYLDGODPAKQ-RFGSENAHSA-N	464.011	6.838	10	40	JKCB	
CCOc1ccccc1NC=C1C(=O)N(c2ccccc2C)C(=S)N(c2ccccc2C)C1=O	2206545	JRLQPSWIGPOERC-UHFFFAOYSA-N	471.582	5.363	10	40	JKCB	
O=C(O)COc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	2711475	CFMDIDGEPDMCRQ-CHHVJCJISA-N	473.881	5.228	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(c2c(Cl)cc(Cl)cc2Cl)N=C1C	8431861	SQZMKTNBEVCIMQ-WQLSENKSSA-N	455.685	5.282	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(O)=NC(=S)N1c1ccccc1F	8741248	RYJMJDQKYYVUAV-MOSHPQCFSA-N	489.959	6.154	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	9299709	SAJGBMFURHKLMY-JUIDXRIDSA-N	462.575	5.262	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C	12285362	NNDKTXONWRWGAE-YXHWSSDLSA-N	492.601	5.189	10	40	JKCB	
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1	13799329	RJFXBDGDPAGOFS-JJIBRWJFSA-N	472.614	5.783	10	40	JKCB	
Cc1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1	16790833	KWXLBJANGACBHG-VWEQIBBSSA-N	463.624	6.148	10	40	JKCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793009	LTTJJPZWSGWROU-CQSZACIVSA-N	481.898	6.728	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C	27549671	MKIIBDZQJWNJQU-XGCFFSCVSA-N	492.601	5.045	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	33362721	VLEREEHEQFOMAP-PDGQHHTCSA-N	493.448	5.328	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223494413	VCWCRUUOFFCMPL-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224021148	RMDSJEDQSUUGAN-JWQCQUIFSA-N	483.597	5.098	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224366017	AJLSUCLJQPWOEF-VMPREFPWSA-N	480.681	7.098	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224531287	NNMBYFUYKWAJTH-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224606978	RPLBPHZEYIHOSO-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Br)c2)cc1	408763898	PSPSBWMUBFOHMH-FYJGNVAPSA-N	478.302	5.200	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc(Cl)c1	408876123	NFFYJPKSIAAQDX-UYRXBGFRSA-N	494.906	5.123	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408965865	JJCBPVOGUYTZAC-IWIPYMOSSA-N	489.597	6.536	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C	409101188	AHGLFFIXGXCWNV-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1OCC	409329377	FMJNZRIAYHUFRN-VCHYOVAHSA-N	484.426	6.205	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c1	409344496	JNQVXRUQNSKFLM-WOJGMQOQSA-N	478.447	7.381	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1	1200161	DSBZNOZRPWLNBB-GZTJUZNOSA-N	467.821	5.024	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)cc1	6279984	RGVQQHKBPURBBT-UHFFFAOYSA-N	475.548	5.986	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c(C)n1-c1ccccc1	9209454	CAHXYNMWXBMRJA-DVELLGFNSA-N	473.989	5.609	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC(=S)N1Cc1ccccc1	9310382	DIPCVOGVZPCLGO-UFWORHAWSA-N	480.825	7.308	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1ccc2c(c1)-c1ccccc1C2	10034950	OVBRGHODDGILDK-UHFFFAOYSA-N	458.391	5.876	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccc(Cl)cc2)cc1	20288559	POGVFQYGNAZBNR-KQWNVCNZSA-N	489.000	5.773	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	41076340	ZJOKUNXFQMTSRK-ILUGDOHVSA-N	496.036	5.956	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	41108276	XSNRDJYKDNCVAN-OQYABBNDSA-N	480.615	5.711	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1Cl	58848199	IANPSTDKXRKGJY-CEYNDMKZSA-N	468.981	6.415	10	40	JKCB	
O=C1C[C@@H](c2ccccc2Br)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1	96115847	IPCNHNKEHXRZQS-AWEZNQCLSA-N	479.282	5.075	10	40	JKCB	biogenic
CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O	106742418	WMGSHGQTNKLQIO-HAHDFKILSA-N	460.555	5.361	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	222950867	WFZZOOONZBCOIW-RRPNLBNLSA-N	489.689	5.098	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223802647	JFQYBQBPYAQIMR-URLMMPGGSA-N	496.680	6.682	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	224570920	XGLWDGFMEXFOJW-XCZPVHLTSA-N	482.653	6.292	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408736463	UUZKNVOTRLMGIL-SWYRRKHMSA-N	462.387	6.863	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)c1	408760564	AWNCATWZXWBBGO-FYJGNVAPSA-N	451.295	5.431	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(Br)cc2)cc1	408764400	RQWMNEQQZBYLRD-RCCKNPSSSA-N	463.331	5.301	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)c1	408809238	KTWIQEFLEGPHSF-YZSQISJMSA-N	462.505	5.394	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1	408814672	ZNHFALWLVSTGMH-SFQUDFHCSA-N	467.308	5.239	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3cc(C)cc(C)c3)c(OC)c2)C1=O	408866838	GXMFRXMZHBBBRE-JLPGSUDCSA-N	468.553	5.132	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	408871870	YNDNRHCJAGVYGZ-JCMHNJIXSA-N	460.961	5.933	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)c(C)c1	408928527	CEWMOZSRRNOPMF-AFUMVMLFSA-N	487.625	6.003	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408965130	GXHFZYHTWHDQQY-LCYFTJDESA-N	495.746	5.877	10	40	JKCB	
O=C(Oc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]23)cc1)c1ccccc1	408992400	BAQBHHYLUSODGI-IEGUWTFLSA-N	470.783	7.693	10	40	JKCB	
CC[C@@H](C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl	409012390	JSLPERSLSPERKV-GOSISDBHSA-N	491.012	6.266	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409017438	WPTDDWIZDZUSAX-AOBKZXEFSA-N	474.988	6.181	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409022878	VIHFYSKQBKWRHQ-HAHDFKILSA-N	489.955	5.805	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cccc2ccccc12	409106664	SCCRXHJPCNVJNZ-HYARGMPZSA-N	479.579	5.103	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1	409136105	SBQIRVBKXKNQJR-KOEQRZSOSA-N	450.648	7.053	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21	409170323	UILUKSUQJVHRCM-YPCDYVTLSA-N	463.002	7.675	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409214906	YMKGOIGPUFUTEO-RGVLZGJSSA-N	451.935	5.087	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)cc1	409236946	ILBYCLOQTNMZDS-BUVRLJJBSA-N	479.605	5.446	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-]	2056462	NCBADOFREUFMEB-HYARGMPZSA-N	478.551	5.588	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S	9232518	FWRHOKFRAOJNGP-HYARGMPZSA-N	452.000	6.633	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c(C)c1	9293237	WGUACTLSDBODAZ-DVELLGFNSA-N	459.619	5.910	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9309091	QXHJQBLRKOYXPX-CCDWMCETSA-N	496.994	5.784	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1	13897233	ZROYUCKKPDOCQX-QNGOZBTKSA-N	457.617	5.329	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C1=O	14132801	FTILLURIOGWJHK-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	40867467	XWPNHTIVBUYZHG-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4cccc5ccccc45)o3)C2=O)cc1	41077937	XQLVOUDZAJDKNV-RCCKNPSSSA-N	454.507	5.559	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)C(=O)N=C3S2)c1	41108384	SNHFAMXBTQHSHY-FKSRUJNBSA-N	487.560	5.240	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2	58846499	BYDKWDKNPJEGOW-BOCWGRARSA-N	486.681	7.228	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1Cl	59198230	FHBQIHKXCMARBO-LDADJPATSA-N	498.764	6.017	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)SC2=S)cc1	83302491	JIPZEHIUFIUUIP-HKOYGPOVSA-N	477.607	5.949	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	107879696	UYQKDOFMCQGAOI-ZDLGFXPLSA-N	473.743	5.687	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(F)cc1	223496253	JPBSFVWJBDNQNG-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503174	HYSYVHFQJVPYFN-UIOOFZCWSA-N	488.060	6.019	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1	224239581	PSWZRQOLCHBYFF-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)nc1	224274236	WCZCCXMVNFCHRV-RRPNLBNLSA-N	467.642	5.987	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224366073	HRYFHEYENRMVDI-FQLXRVMXSA-N	480.681	7.098	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224531555	LJCBLOPRFQAEMT-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(=O)OC(C)C	408599147	FKVZUDRMHHNVAL-OCKHKDLRSA-N	495.981	5.224	10	40	JKCB	
Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C	408644485	GFBOYNHXGKUATR-UHFFFAOYSA-N	455.352	5.269	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Cl)N1c1cccc(Br)c1	408762119	JFHUHZKYGHBTCI-UDWIEESQSA-N	455.714	6.076	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C(=O)O)ccc2Cl)cc1	408785786	BWIWUVRRVQBQCA-XDHOZWIPSA-N	460.873	5.726	10	40	JKCB	
CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408809336	RLNQDRKRSNHIHF-RIYZIHGNSA-N	453.709	5.100	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c(C)c1	408818371	PNCUSIRAKONRPV-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1OC	408845325	VZMDVGMPQXNEOC-DEDYPNTBSA-N	481.321	5.440	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1Cl	408951137	LPWNGXNUWAEUGJ-WSDLNYQXSA-N	460.961	5.474	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	409037495	NTMJTSINKWIMFY-YRNVUSSQSA-N	496.775	5.800	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21	409167642	JESOYQCTDKSQGB-IPVFLDMMSA-N	452.450	8.421	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	409218943	YSPHQCKFXHHNPC-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O	409234964	BLNRZPQLBZMKRV-LDADJPATSA-N	498.366	5.466	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)c1	409326556	CCZKQIATRDOFKW-NVNXTCNLSA-N	485.393	5.125	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OCC	409330303	KPYFRUWSYDMLKV-JWGURIENSA-N	456.633	5.736	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)cc1C	409330781	MPZMSZMNNPDJJI-RGVLZGJSSA-N	470.959	6.531	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Cl	409333654	VCGRCSXUJQBBBP-LZYBPNLTSA-N	486.373	5.480	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccc(F)cc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	816791	YZWUDQLQCLPYKC-UHFFFAOYSA-N	468.509	5.834	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1	2228049	VNUXKDACDFDSMN-ITYLOYPMSA-N	495.673	6.600	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	4003769	HRNHLSMYFXVRRX-PPJWLVRDSA-N	491.569	5.621	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cc(C)cc(C)c4)C(=O)N=C3O)c2C)cc1	6089596	CTFJQKVUPDBEKR-BUVRLJJBSA-N	485.540	5.394	10	40	JKCB	
O=C1/C(=C/c2ccccc2Cl)N=C(c2ccccc2)N1c1nc2ccc(F)c(Cl)c2s1	8893512	RXJJIOJKBQVBPX-PDGQHHTCSA-N	468.340	6.577	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	9290621	LBEHSNMUDOWEMI-FMQLZUAWSA-N	499.640	6.084	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S	9292370	QRHXENFHMGTWDG-CYVLTUHYSA-N	481.668	5.546	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)c1	9309644	GPGUOHSQBOEUJM-DKOZXRCPSA-N	499.596	5.109	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(F)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1	12599715	WZSLSMLGMYMSRQ-MPZKTUSKSA-N	496.630	6.395	10	40	JKCB	
Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1	19792877	YBEOYEQXGOOEPV-UHFFFAOYSA-N	469.459	6.250	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/C3=CC=C(c4ccc(Cl)c(C(=O)O)c4)C3)SC2=S)cc1	32109972	RUPGGTGIURBKDZ-NHDPSOOVSA-N	483.998	5.705	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	33699189	YFQLLZTWDNBXJI-LTQDZZRLSA-N	460.390	5.820	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)S2)cc1	34837891	NJEDMQRYCYSUHV-XKZIYDEJSA-N	479.945	6.218	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)cc1	95547686	KPGXCEPXEDQPRA-HZHRSRAPSA-N	489.528	5.146	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Br)c1	222920761	HRHYETPWTPARBI-DHIUTWEWSA-N	483.479	5.880	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223538352	ATWDCCXQNHSYAV-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223539967	DVCNGLPETZLCKM-PVFDWLMNSA-N	477.630	5.782	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223585818	QNZOFGFJUYHNHF-ICODJCHTSA-N	495.620	5.921	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	224352997	XGPCPTORIIOTHF-SVBPBHIXSA-N	468.626	5.929	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(=O)O	225017319	KSLDVIVUVHUKOG-ZEQRLZLVSA-N	460.603	5.102	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21	260925576	VQXYEGCJOOSGHQ-ZEQRLZLVSA-N	467.082	6.282	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408967239	PKQNTQSTMUOQPW-OYKKKHCWSA-N	497.035	7.421	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(C4CCCCC4)C3=O)o2)cc1	408987330	WMUCHQJQCOESRK-PTGBLXJZSA-N	453.538	6.333	10	40	JKCB	
CCOc1ccc2nc(Sc3ccc(/C=C4\C(=O)NC(=O)N(c5ccccc5)C4=O)o3)sc2c1	408993179	VBCNPNJOCCEGAA-SFQUDFHCSA-N	491.550	5.106	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2Cl)cc1	408996727	MVBPTDWBKJWZPE-HZHRSRAPSA-N	462.933	5.590	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccccc1F	409039906	XMAGXGQLVTVNGH-GRSHGNNSSA-N	465.999	5.924	10	40	JKCB	
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Cl)cc1	409123922	FWDWELBZNJRVJP-HMAPJEAMSA-N	478.957	5.328	10	40	JKCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1	409200322	HSNFEMMBPYMIPD-WSDLNYQXSA-N	480.973	6.083	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccccc3)C2=O)cc1	2221543	IGMALDGGAZAJGC-CBTVAOKPSA-N	457.530	5.587	10	40	JKCB	
COC(=O)C1=C(/C=C/c2ccccc2OC)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1OC	3671372	ZPZBRQGFKISANF-OCMUKFSPSA-N	495.575	5.313	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1OC	8765565	BJSKWFNKXZFDFZ-SILNSSARSA-N	465.637	5.501	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1	8821701	PEPNTZCCWDDKHR-XKZIYDEJSA-N	478.957	6.008	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	9309021	DHXZRFZTLGESMD-ZNZIZOMTSA-N	467.952	5.671	10	40	JKCB	
CCOc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O	15946264	BNXSZPWAZQUQML-MPBGBICISA-N	493.467	6.585	10	40	JKCB	
O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	16790482	AELAKZISYYLYIQ-STZFKDTASA-N	488.030	5.858	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCCC3)=NC2=O)cc1	27019832	BZSYWIOKNJRKCF-MOHJPFBDSA-N	472.614	5.784	10	40	JKCB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	40221249	UVISNZLSVGMSLD-QNGOZBTKSA-N	485.590	5.197	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1	41108280	BBTFDAJJCNGFCK-QLSUFNALSA-N	460.490	5.092	10	40	JKCB	
COc1cccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)c1	100525184	VZANLXGOJIXLNL-FTGFMQHASA-N	470.352	5.456	10	40	JKCB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O	101181688	PROHNLRRZLTDRT-XJUOHMSHSA-N	499.350	5.149	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467109	FGPSYBYDNFTNQE-UIOOFZCWSA-N	497.624	5.063	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c(C)c1	223501987	BBDJSRBVKXTQDM-IXCJQBJRSA-N	481.669	5.982	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223767704	DNIZJZRQFIRXGB-CLJLJLNGSA-N	469.614	5.378	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223900307	AZSOTPSECMQKPH-XRKRLSELSA-N	495.696	6.349	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224202667	KLHBZNUCDCAIKM-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224845162	XFGOPBVVDSWLKX-SXOMAYOGSA-N	499.640	5.387	10	40	JKCB	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC	408537915	HYHUHDSPGPUSOM-UHFFFAOYSA-N	498.579	6.238	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc2ncccc2c1	408738298	URDOHVWINKETML-PTGBLXJZSA-N	485.499	6.874	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	408800241	OCTGRLSOKOKRNQ-GZTJUZNOSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	408812497	LXYIKDFDVGREQJ-XQNSMLJCSA-N	496.950	6.047	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	408825847	JSXOECZDLGNJLX-XQNSMLJCSA-N	490.943	5.374	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Br)cc2)cc1	408842167	NCXROBMRLOKQKN-JJIBRWJFSA-N	490.401	5.748	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(Br)c3)C2=O)cc1	408847299	UUUKNSLZVOCTNY-KGENOOAVSA-N	491.341	5.079	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1	408884856	VQZBWJMBTSAIAB-OEAKJJBVSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1	409017321	YXJPBRQTQUHUEO-PCLIKHOPSA-N	478.552	5.087	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C	409123977	JKNXDAYZRBYCRJ-UDWIEESQSA-N	494.016	5.204	10	40	JKCB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OC)c(OC)c1)N2	409161760	AVXRBUSIYVGDMW-NQCMUKECSA-N	478.770	5.733	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(C[C@H]3SC(=S)N(Cc4ccc(OC)cc4)C3=O)c2c1	409162393	VBSQOGLSRRBWBT-XMMPIXPASA-N	481.639	5.617	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S	409167055	IFXOOVJSIUBIAA-RVDMUPIBSA-N	473.337	5.093	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	409232854	SNZOYIQEXCWMFW-SSDVNMTOSA-N	497.960	5.901	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)cc1	409247653	FEXDNXYJDTWIBK-HYARGMPZSA-N	483.955	5.626	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)SC1=S	409329341	DZQRGIMEHBKJGW-YVLHZVERSA-N	451.411	5.192	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O	409350376	RIAKFAZNGACNTH-MSXFZWOLSA-N	479.642	6.708	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(Cl)cc5)c4C)C(=O)N=C3S2)c1	2402728	OUEYDPISRBBTGK-BPOWYZMYSA-N	473.989	5.723	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C	8815763	WLVDUORLDUWKMF-OEAKJJBVSA-N	491.588	5.779	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	8820254	KQHZPSNQZBTPDS-NTEUORMPSA-N	460.886	5.182	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1	9850572	ARWXPZQREJFWCZ-DEDYPNTBSA-N	484.499	5.920	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccc(C)cc1	13899232	DMCWRPBSKHUAIC-BWAHOGKJSA-N	456.542	5.658	10	40	JKCB	
COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CC(C)C)C3=O)oc12	16736720	NTWKICOVUPZKOR-XKZIYDEJSA-N	489.622	6.151	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cc(C)cc(C)c2)cc1	20288931	DVOZUURYRNZHTA-MOHJPFBDSA-N	456.502	5.357	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1	33430098	NZWFZKDYUVORDZ-MOSHPQCFSA-N	478.035	5.644	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1	35103489	RZVNDQQHXDBICC-UYRXBGFRSA-N	486.833	5.039	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58847968	AZWUZVUGAYRITL-WZOHSFFVSA-N	495.988	6.184	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1	106727194	WQODDHDZICKSGR-JAIQZWGSSA-N	464.455	5.098	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1C	223561462	FGGBBIHBEYDQBN-SDLXJUDFSA-N	459.590	5.470	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223797069	WWGLUMXALYPNDM-SVBPBHIXSA-N	486.616	6.204	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1	224399321	IXTQNJZATTWEIJ-RPBOFIJWSA-N	460.553	5.944	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(-c2ccccc2)cc1	408632328	DKLZEACMZZCGQL-ONUIUJJFSA-N	465.578	6.855	10	40	JKCB	
Cc1ccc(NCN2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1Cl	408722448	UITIPNUVMNOYDG-LZYBPNLTSA-N	453.814	5.682	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408758774	QZIBNIRQFITIET-UDWIEESQSA-N	481.733	5.635	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2cccc(Br)c2)C1=O	408759177	ZDFHLYOIRATVDI-DEDYPNTBSA-N	467.750	5.946	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	408823086	CKICUMGVJIXFQO-LFVJCYFKSA-N	490.943	5.374	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O	409010990	GPUSUGJJCKXZFB-VZWMTCDZSA-N	467.374	5.389	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)NC1=S	409225832	LXCLKYFEQQQWEY-WQRHYEAKSA-N	484.408	5.541	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	409226900	NWCUYXPMTBIQSQ-UCQKPKSFSA-N	475.570	5.086	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1	409235351	BLRIJWGYKDNQFC-DEDYPNTBSA-N	461.949	5.339	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)=O	409341269	ATXLOSPBSAPREN-NVMNQCDNSA-N	468.383	5.723	10	40	JKCB	
COc1ccc2c3c(n(Cc4ccc(OC(C)C)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	604404697	QWPQNPDAFDEYDO-UHFFFAOYSA-N	455.510	5.066	10	40	JKCB	biogenic
CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	1304956	MEVNYZTWVBLADP-YVLHZVERSA-N	450.379	5.262	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	2119441	RNFZLANFRICZMQ-HYARGMPZSA-N	487.378	5.587	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	2700615	QWRYEAOYHDHZGG-BHJKQYKASA-N	496.009	5.946	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1	9161465	VEYRWHSCJSQVRN-JFDFMHGASA-N	489.988	5.424	10	40	JKCB	
O=C1/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC(=S)N1Cc1ccccc1	9310526	KXNKQQOVVYMCKH-WYMPLXKRSA-N	461.652	6.261	10	40	JKCB	
Cc1cccc(OCc2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)o2)c1	9580808	UDBLFPWKHUIJCV-UHFFFAOYSA-N	477.542	5.068	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1	13602881	KDTQALNWJJTLJT-HMAPJEAMSA-N	496.009	6.364	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C	13940823	KWXZDEFYAFRQAM-YXHWSSDLSA-N	492.601	5.189	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3C(C)C)c(C(F)(F)F)oc12	19793066	NRQSGEDSIQYKEJ-UHFFFAOYSA-N	477.523	7.055	10	40	JKCB	
CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S	27563027	LLDHJUGROSTLQN-NDENLUEZSA-N	492.018	5.082	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	41076320	BUEIWQNXLZJXJX-UBZYXAKASA-N	491.016	6.436	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/CCC(C(=S)Nc3ccc(C)c(C)c3)=C2N2CCOCC2)cc1	102945928	ZAVXQRMRTMEEPJ-GFMRDNFCSA-N	475.702	6.353	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2C(C)=CC1(C)C	208510945	AZRRTUIGLAGWRC-HMAPJEAMSA-N	461.587	5.383	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	222989434	KZGRMZSKUBZUBL-DNQXCXABSA-N	462.619	5.048	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224169020	NDBLIUJVVUVBNH-URLMMPGGSA-N	495.696	6.512	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224397968	DDINZKWMUBSGRE-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F	225504366	DRKBPYUQQHNKBU-RRPNLBNLSA-N	499.615	5.239	10	40	JKCB	
COc1c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cccc1OCc1ccc(Cl)cc1	408728149	WEELLMDYTCNKGC-STZFKDTASA-N	474.047	6.462	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	408740284	AVUKCTRZMKZYLN-LCYFTJDESA-N	472.678	6.252	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Br)cc1	408754368	MYGTXAKCCUAENF-NLRVBDNBSA-N	497.392	6.836	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1	408757637	BELZRRIIMTYDIF-WJDWOHSUSA-N	473.337	5.093	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2c1	408769307	QSCGKFATHCDPAF-XQNSMLJCSA-N	474.582	5.031	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409016851	AJJFUANNBQYIBU-YDZHTSKRSA-N	461.562	5.188	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409052928	FDERFHACIWBRSH-IMRQLAEWSA-N	484.596	6.069	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1	409133339	QIBPEAJPBMKLLO-KOEQRZSOSA-N	465.663	6.557	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409145794	RTJANNHUBYKULK-YBFXNURJSA-N	468.340	5.063	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OCC	409346180	MWXYKIIAWVXGIR-PDGQHHTCSA-N	494.432	5.661	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1	2198919	MPOMXLZHRAPIPA-JLPGSUDCSA-N	499.954	5.349	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	2395562	RVRHVDJADWODFL-HZHRSRAPSA-N	485.996	5.732	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3cccc(OC)c3)c(OC)c2)SC1=S	2960059	WHGOPPMUPWHAQY-UNOMPAQXSA-N	480.007	5.036	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccs2)[C@@H]3c2ccc(N(C)C)cc2)cc1	8444226	MZVITIXQDDIEIF-LRXRSFGMSA-N	484.669	6.317	10	40	JKCB	
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(C)c1	8820139	WDUZETLCXTXOMX-QNGOZBTKSA-N	473.063	6.357	10	40	JKCB	
CCCCCCn1c(NCc2cc(Br)cc(Br)c2O)nc2ccccc21	9086165	RRFMEYKFLDZRKN-UHFFFAOYSA-N	481.232	6.459	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	9291680	AAKYOXNQANWPDK-HCNNPVLLSA-N	455.971	5.175	10	40	JKCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(SCc3ccccc3)=NN12	9434495	RIPWHKSNMRSXSI-NBUXHNBQSA-N	463.371	5.209	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2nc(-c3ccccc3)cs2)C1=O	12032471	JCMFLNQQNJLGPD-LBNBPBRMSA-N	491.663	5.986	10	40	JKCB	
COc1cc(NC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc(OC)c1OC	12831291	GAETUWDPQNXSNE-UHFFFAOYSA-N	459.340	5.135	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1-c1ccc2c(c1)OCO2	13146245	MGQNZCPFNLLZRM-UHFFFAOYSA-N	488.515	5.409	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc([C@H](C)CC)cc1	33430150	PIJNLKLANDJCMO-YLPLVBRQSA-N	485.671	6.278	10	40	JKCB	
CCc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(Cc3cccs3)SC2=NC1=O	41108419	OVDYYAULBTVIRJ-HRXHUYTNSA-N	459.600	5.271	10	40	JKCB	
CC(=O)c1ccc(NC[C@H](O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1	101358900	JPYRAGKNBVHMIW-YYKYCJCRSA-N	492.579	5.123	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2	102727667	AIQCSDKTKUMZMH-CCLHPLFOSA-N	463.537	6.200	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102755018	KDWPXBAHHVCUNV-DSNGMDLFSA-N	475.976	5.237	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223462344	MTAOZMHFQMGBQO-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	223880665	VHZSSTGDOBVCBK-HOSHDJOUSA-N	487.669	5.941	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(Cl)c(C)c4)c3)CC2)cc1	224209675	KDHAWZMISJPWKE-UHFFFAOYSA-N	480.992	5.207	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224305797	BAYYYLQWKSMCLF-VSGBNLITSA-N	496.636	6.012	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408756442	RVTXXJMDTMWUGP-DEDYPNTBSA-N	472.169	6.590	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1OC	408761368	IYCWROAZWQWYSY-GZTJUZNOSA-N	478.888	5.442	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)c1	408794696	AWGUZZQEDJQJCT-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)c(C)c1	408808783	GAFBAIOMRVFSAA-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@@H]4C)C3=O)c2C)cc1	408809195	KQSBFCYWKWKDPV-GHAIVPPKSA-N	484.689	7.457	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1C	408875693	KAVBWDPBHRZOFM-HYARGMPZSA-N	462.908	5.353	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)CC	408902714	QIFOXUYXMRRXSW-MQMKENTISA-N	492.460	6.431	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1	408972387	SMEUWCXHBPHSJM-PTNGSMBKSA-N	461.783	5.857	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409004629	XVKKOHJZEUOBNT-OVZSPSEASA-N	454.570	5.836	10	40	JKCB	
CC[C@@H](C)Sc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12	409036141	KYPXFFPBFJTJRP-PBSOMRJOSA-N	490.497	7.232	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	409071856	QDAGOXQQROAZFS-KGENOOAVSA-N	480.998	5.331	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409074786	RNVUOXGCXVMBIE-KEBDBYFISA-N	458.320	5.633	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1	409233271	FDUFUEQGDVSGPX-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC(C)C	409233667	HCTZCKDYAXOFNX-NTEUORMPSA-N	479.385	5.011	10	40	JKCB	
CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O	409237625	APDGPOLQLFWKSF-BUVRLJJBSA-N	463.965	5.629	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1	409245055	MTVBGSMADGSYPY-OEAKJJBVSA-N	489.597	5.395	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCC(=O)Nc1ccccc1	409331822	OEXASGIHDYGSBY-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC	409350137	XPOWYUZDXZQROF-VCHYOVAHSA-N	464.406	5.571	10	40	JKCB	
COc1ccc(-c2c(C(F)(F)F)oc3c(CN(C)C4CCCCC4)c(O)ccc3c2=O)cc1OC	1768216	NHHHSAORTSNPCD-UHFFFAOYSA-N	491.506	5.966	10	40	JKCB	biogenic
CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	2059113	YUZXXJMKDRTRPC-YYADALCUSA-N	486.571	7.078	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	2246334	ZCZQRSVIZHKIBE-ZHZULCJRSA-N	451.642	5.872	10	40	JKCB	
COc1cccc(Nc2scc(-c3ccc(-c4ccccc4)cc3)[n+]2-c2cccc(OC)c2)c1	2380526	LMGHORVLAOMAPH-UHFFFAOYSA-O	465.598	7.120	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1	4664214	FTOCQRMUNLIJTF-CPNJWEJPSA-N	478.888	5.281	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	8454100	BPQFIBYRBPNGAJ-VYKTZEHYSA-N	452.579	6.467	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1	8833822	AUESDZFLPFKQKX-KGTQDBRDSA-N	462.518	5.492	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1	9271748	QSUIEGZNQZVEQS-HAHDFKILSA-N	483.955	6.412	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1	9805180	FLDAKQUJSWFVJP-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(C)c2O)N3)C1	15946083	HDXOSNRDHDCQMA-BLVKFPJESA-N	463.441	6.495	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C3=NN=C(NC4CCN(Cc5ccccc5)CC4)SC3)c2C)cc1	15981095	QOBFKNUTXDKCEK-UHFFFAOYSA-N	471.674	5.464	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	31976519	ISSKLNVVAXTATO-ACKDDNJSSA-N	481.364	6.115	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	32116756	BNALDWBTWMWLJZ-UUYOSTAYSA-N	464.949	5.522	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c(C)c1	34720345	TZBHRHDFICOEMO-XVCGDLFISA-N	467.598	5.573	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1	40942116	LHTZSJTZNLGQSP-SXGWCWSVSA-N	484.824	5.569	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C2=O)c1	41077935	CJNPWBLWMNWPDP-LGUFXXKBSA-N	498.579	5.417	10	40	JKCB	
O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21	58847622	ORIFTFHUBIWHTH-GLDPYIMESA-N	480.973	5.666	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1	59536475	PJITVKQTPPMPCG-XYGWBWBKSA-N	470.619	6.494	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc(/N=N\c4cccc(C(F)(F)F)c4)ccc3O)C2=O)cc1	106703697	UNBLUXJUHXMDHO-NCVPMDDGSA-N	497.498	7.371	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1C(F)(F)F	222612759	GXZMLBBQNAHFAQ-RXYZOABWSA-N	456.537	6.097	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1	223615365	UPFOXZIIQYFZQP-FQOPDIHJSA-N	462.659	7.041	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	223759570	BVMQDPNOQKMDPE-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	223849038	ZKDJHGDOBNGHME-HOSHDJOUSA-N	471.601	5.473	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)cc21	224258910	JNMKFBRLMXGSPQ-SVBPBHIXSA-N	468.670	6.507	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C	224267669	PFOYTAPIGYBOAQ-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	408537423	DYBUTNPGGASFME-BOPFTXTBSA-N	495.790	6.272	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1	408767295	ZAJWXZFJIMOPKJ-DEDYPNTBSA-N	481.733	5.635	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	408775715	JIFPCMAVBBHHQO-XDHOZWIPSA-N	468.340	5.376	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccc(Cl)cc2)c1	408814768	QBYSAFFUEYPVHV-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	409016799	VUICOLOAOMQDAJ-DQPIFXJKSA-N	472.994	5.090	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OC	409082116	PGGWALPULHMBDM-UYRXBGFRSA-N	463.331	5.301	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1C[C@H]1CCCO1	409147922	WPOCNOGRBQAZMB-OLIBUNOHSA-N	487.021	5.862	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1	409347333	PMIDTBKEIKCVRM-BUVRLJJBSA-N	473.598	5.893	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])cc1C	409350828	YUIMDOWOBASTRU-ZVHZXABRSA-N	486.574	7.031	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	638408	QDJUANSWJLHXKO-KQWNVCNZSA-N	455.510	5.151	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(Br)c1	1183238	ZZUVVGUZCUQPPF-MHWRWJLKSA-N	481.824	5.333	10	40	JKCB	
Cc1cc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)c(C)n1-c1ccc(OC(F)F)cc1	2646963	IZNMGNXOCDDTGW-UHFFFAOYSA-N	463.912	7.355	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(C)c1	3769626	OJIRMDHDNVQKAT-WYMPLXKRSA-N	491.590	5.717	10	40	JKCB	
CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)O1	3771154	PGDUUCULWLHYDZ-UHFFFAOYSA-N	493.781	5.927	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(C)c1	8819067	DZIILJZXGACITH-PDGQHHTCSA-N	489.460	5.604	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	8819097	NCVIYXZRUHIIGG-MFOYZWKCSA-N	467.399	5.232	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(Cl)c(Cl)c1	9189237	ZMVTYFWMRFLFRJ-WQRHYEAKSA-N	452.794	5.439	10	40	JKCB	
COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	9763229	KPLZRNSAZFTQBY-SXGZJXTBSA-N	459.340	5.818	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCCCOc3ccccc3Cl)C(=O)N=C2S1	12382051	IZSZGKSROZIMFI-WHTRWQNMSA-N	482.993	5.463	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	14010601	XQXANIWFLRYFBJ-QFEZKATASA-N	490.987	5.629	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1ccccc1Cl	35088021	MPMXSSMMNRYUFZ-STZFKDTASA-N	474.047	6.267	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	40006257	VBDMORNVXNONSF-IWIPYMOSSA-N	479.598	6.205	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2	58845776	HVSDDYGRAWXXKM-VYKTZEHYSA-N	472.654	6.920	10	40	JKCB	
CCOC(=O)CC1(c2ccccc2)C(=O)c2c(-c3ccccc3)ccc(-c3ccccc3)c2C1=O	59382520	MAQHOTYWAAPPLR-UHFFFAOYSA-N	460.529	6.291	10	40	JKCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	165723918	NLEZTKQHZYQCAI-PKAZHMFMSA-N	477.589	5.443	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223233168	WBBUUHZEOSNXKP-XNMGPUDCSA-N	475.706	5.284	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171875	NNSRPZIDYIHOMA-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172267	ZLCXHNCCEJUNEM-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224234769	XVBURDDZOMWSRZ-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1	225956633	MRMXHMARDNFWOT-UHFFFAOYSA-N	498.578	5.102	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc(C)c(C)cc1[N+](=O)[O-]	408534349	QLXHMNPZYKOMHL-YBEGLDIGSA-N	457.328	5.309	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1	408760116	RUTPEYQBYSBNMO-PXLXIMEGSA-N	475.342	5.379	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	408866553	GWIKKPGLCOJPSM-YDZHTSKRSA-N	493.390	6.176	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(C(F)(F)F)=NN1c1ccccc1	408969538	PTTHPEZVXVMVER-PTNGSMBKSA-N	451.231	6.602	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409052164	GQOFIOHQLXMGBR-UCQKPKSFSA-N	464.924	5.764	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409189829	IZZYLDIKMHRCDK-FYJGNVAPSA-N	466.946	5.775	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409225806	LJLCNFMSZJUUCX-CIAFOILYSA-N	465.962	5.083	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)c1	409328582	XXVVHBJFRNKHRY-UYRXBGFRSA-N	453.570	5.513	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)c1	409342598	DRAHYTBPESSGIE-PCLIKHOPSA-N	454.620	6.712	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409367132	GPVQWWWFRQUQTA-XYGWBWBKSA-N	471.578	5.865	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4cc(C)c5ccccc5n34)c2C)cc1	1094866	BRKFRJSXWFKTST-UHFFFAOYSA-N	498.608	5.750	10	40	JKCB	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	1867203	AXPQLTSJOAIRBV-VCHSTOLQSA-N	456.372	5.564	10	40	JKCB	
CCCN(CCC)c1ccc([C@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1	4091840	ASIBNNBAKZAZLU-SANMLTNESA-N	474.674	5.787	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1C	9232238	ZDGUIZBQWLNGNL-CIAFOILYSA-N	450.541	6.186	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1	9295765	ROVSHEXLBRWFLG-UUYOSTAYSA-N	487.980	6.599	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1Cl	9553331	SZSNGAOASISNRV-HVJDIQLESA-N	498.992	5.082	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	32109836	MQJLIOFWROMHJJ-BOPFTXTBSA-N	455.297	6.066	10	40	JKCB	
CC(=O)c1ccc(NC[C@@H](O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c3ccccc32)cc1	101358896	JPYRAGKNBVHMIW-BGUYBBADSA-N	492.579	5.123	10	40	JKCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2C(=O)O)o1	105982870	TXTFTRGPHKSTDH-WOJGMQOQSA-N	469.266	5.353	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc2ccccc12	223222635	KKJGIZKWTVMVDL-NSOVKSMOSA-N	483.685	5.567	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351052	DUNJZTHMJVAEKL-JWQCQUIFSA-N	477.033	6.217	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223540626	OAFGDUDTGMEJDS-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(O)cc1	225045271	POQSCLBXKPEPJS-VSGBNLITSA-N	497.668	5.669	10	40	JKCB	
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccc([N+](=O)[O-])cc1	408634125	PLECMXIJEOTQNR-NDENLUEZSA-N	496.932	5.924	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1	408739629	DLPGVUSIAQRPJE-ATVHPVEESA-N	471.296	5.319	10	40	JKCB	
CC(=O)Oc1c(I)cc(Cl)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O	408742321	OISVEDGZESMELK-VIZOYTHASA-N	480.685	5.160	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Br)cc2)cc1	408845720	RFSPMKDHZVPKMR-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408884585	YKVYUMGLTOEKQN-WPWMEQJKSA-N	494.978	6.367	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(F)c1	408900942	AIVGZIDSRPMKFZ-CIAFOILYSA-N	495.348	5.982	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408902197	LRATZYATUNSUBR-CIAFOILYSA-N	477.904	5.642	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	408963989	BAUDTZWOBRNPED-ZDLGFXPLSA-N	488.371	5.371	10	40	JKCB	
O=C(O)c1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1	408984323	GTIBZDDUVNXCEU-LICLKQGHSA-N	470.739	6.816	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	409076053	XCLXBVZSGYQYHX-GXDHUFHOSA-N	461.688	5.573	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-]	409179538	RGXTZXYPKGYNMH-VXLYETTFSA-N	474.922	6.362	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc2ccccc12	409233388	VQKLAUYSGPWUGS-RCCKNPSSSA-N	485.996	5.732	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1	409253484	VBAKTJYYLVQWIX-JJIBRWJFSA-N	471.626	5.576	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)=O	409330862	NFFALCPRQHQGLN-WOJGMQOQSA-N	478.389	5.179	10	40	JKCB	
CC(C)(C)OC(=O)N1C[C@@H](C=S)C[C@@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21	1570001148	JQLSABPOUBLMOP-QKYXUNIQSA-N	456.608	5.690	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)cc(Cl)c1	1865148	DTMVBTLJHMNPOV-DURWOYGOSA-N	477.438	6.170	10	40	JKCB	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	1867205	AXPQLTSJOAIRBV-WPMUKRGUSA-N	456.372	5.564	10	40	JKCB	
Cc1cc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1Cl	2149649	YZCQOEFFGVOIJI-RCCKNPSSSA-N	483.351	5.221	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3351969	CVZPNGZCSPUXDF-UHFFFAOYSA-N	468.283	6.042	10	40	JKCB	
C/C(Nc1ccccc1Oc1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	8694711	ZVCOOMZGZPCJGF-RCCKNPSSSA-N	494.498	6.740	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nc(-c2ccccc2)cs1	8857623	BGDMGTKKLIBTTJ-XMHGGMMESA-N	499.708	6.272	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1	9076610	BREAUOGVGZBHEZ-GGMUZDTOSA-N	469.585	5.891	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	9282602	WMNJOEZDFHABIL-BIRLBKGPSA-N	469.570	5.079	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9309376	TZCGLCCKOCMWRC-JNTYBJLZSA-N	465.991	5.477	10	40	JKCB	
CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S	12561383	LGFAYKQFKPIQLA-PXLXIMEGSA-N	461.656	6.466	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	13809943	SOLSSWAGDOYEIJ-VFCFBJKWSA-N	476.580	6.524	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)ccc1Cl	27519427	KYHNXWKJNLSPEU-QGOAFFKASA-N	450.321	6.251	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCc1cccc(F)c1	33447412	KVCLXTLDHRZNEV-UCQKPKSFSA-N	482.964	6.539	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	33560361	ORXUBFGXEHEZKB-XSBGCYDXSA-N	488.444	6.600	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC	58846358	BNYHKZPFICEGJB-PFPZSTESSA-N	490.625	5.948	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847132	DUYAKYIFUNVFCY-UZINWLIJSA-N	480.561	5.470	10	40	JKCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	103917204	AKWZJGQALIJRAA-HAHDFKILSA-N	474.973	6.851	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223389445	FUSXERIEBHAADC-WUFINQPMSA-N	466.654	6.279	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223428792	WBVMEDAWLUAOEH-UIOOFZCWSA-N	483.641	5.374	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467766	QBJDKXWMPXPRJP-XTEPFMGCSA-N	481.669	5.928	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012706	FNOTWCAUENNPSR-VSGBNLITSA-N	496.636	5.957	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012825	FNOTWCAUENNPSR-WUFINQPMSA-N	496.636	5.957	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224339678	WQZYWCIRBUQFDQ-IZLXSDGUSA-N	496.636	5.957	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C	260565464	IRAIOCBIPAGWLD-SUVVMJBMSA-N	495.620	6.001	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O)n[nH]1	408631595	KOWNAHVEYZNBCC-NHDPSOOVSA-N	498.967	5.898	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)c1	408739268	UWKIXNQOOKJGJI-XSFVSMFZSA-N	476.370	6.328	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1	408782749	YVLINRYFVCYWPB-YBFXNURJSA-N	481.335	5.547	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccc(Cl)cc2)c1	408799748	IFDGAPFDYKCGIM-SRZZPIQSSA-N	497.334	5.247	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccccc1	408817908	WNYDZHWONOYWBM-OCSXSCQSSA-N	470.662	7.148	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1ccccc1Cl	408872481	FFMKHZRDUWVBPC-HYARGMPZSA-N	474.944	5.304	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1Cl	408903467	YHOMVKMTKMCDNP-XDHOZWIPSA-N	455.944	5.792	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1C(C)C	408951900	MVTFCNGFUDYNFH-LGJNPRDNSA-N	485.628	5.820	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1Cl	408987506	FNQDPHSDRRACBU-NDENLUEZSA-N	464.880	5.033	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(Sc3ccccc3)o2)SC(=S)N1c1ccccc1	408995977	GEIDZYWAAADKLD-SFQUDFHCSA-N	474.426	6.599	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N(c2ccc(Cl)cc2)C1=S	409012605	QVRMOQMCKRFQKB-AQTBWJFISA-N	481.917	5.072	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409017272	FODFUHKRNGIVGL-FMCGGJTJSA-N	481.379	6.278	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(c2ccccc2)=NN1c1ccccc1	409076309	AKPAPKQAHLYWLE-XHPQRKPJSA-N	475.504	6.008	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(Cl)c1	409144677	ZTDBQXLTZIXEJQ-YBFXNURJSA-N	499.957	5.363	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c(C)c1	409220700	DPCUETXKWLRCIK-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O	409222937	DTHAHSPKVCSDCH-RGVLZGJSSA-N	473.957	5.063	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)o1	409338428	JRPXFFLUEKQTIT-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)c(C)c1	409339486	IXFHUGLPXRCWJM-JAIQZWGSSA-N	470.959	6.531	10	40	JKCB	
Cc1cc(C)c2[nH]c3c4c(c(NC(=O)c5ccccc5)cc3c2c1C)C(=O)c1ccccc1C4=O	4016160	NRDCJNBBJGKUEI-UHFFFAOYSA-N	458.517	6.274	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1	8407629	OSJAPJFODJCWCX-UDWIEESQSA-N	458.530	6.519	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc2ccccc2c1	8819618	BVUJXHYMWCZVNS-XKZIYDEJSA-N	476.579	5.189	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)c(OC)c1	8821739	MKFFHDKYQXREHP-QRVIBDJDSA-N	480.973	6.019	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)cc2)cc1	9232447	AGJRXCWIYTXTOW-PXLXIMEGSA-N	477.563	5.329	10	40	JKCB	
COc1ccc(C)cc1N1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S	20324955	WQRKANYFQQSSGC-MOSHPQCFSA-N	453.610	6.295	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	41083493	XATHQEGCIGLHNA-WKUHHISCSA-N	478.430	5.731	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1	208694454	RMXNQZVESBGULO-MOSHPQCFSA-N	480.523	5.437	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103919	WUCOGSQUXUKOMC-UIOOFZCWSA-N	488.657	5.801	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(F)cc1	408577823	UNPSCSQOYLYSLN-BKUYFWCQSA-N	482.533	5.388	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	408760575	BAKQWFMEOLMEPW-AQTBWJFISA-N	452.337	6.482	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Cl)c1	408766416	QGTUWXRZOGXZCS-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1Cl	408773116	GLQAUKGYBIYRQC-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1Cc1cccc(F)c1	408865060	BJBCGSOWMWEHFC-CIAFOILYSA-N	492.934	5.362	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408871129	WBDNTBRAQQGACF-NDENLUEZSA-N	492.934	5.362	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1	408888638	YEXAEPFRRQFARG-LDADJPATSA-N	485.298	5.378	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409058388	XMXZPRPBIGWZJJ-XYGWBWBKSA-N	484.596	5.905	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	409180808	RXOPKKROXYMZST-CIAFOILYSA-N	457.979	6.825	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409373096	PIJBVRFZNPNSSX-YVLHZVERSA-N	482.414	5.720	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1	2281632	PYUNHEMMDHFSBH-LPYMAVHISA-N	455.901	5.850	10	40	JKCB	
CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1	2415862	AJIIYAUTYSIHSL-UHFFFAOYSA-N	477.435	5.082	10	40	JKCB	biogenic
CCCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc(C)c(C)c3)C(=O)N=C2S1	8453035	NNXJOFLBVLEZQR-OIYMOPNQSA-N	462.575	5.181	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(N4CCC(Cc5ccccc5)CC4)=NC3=O)c2)cc1	9188932	OIWBADJPHBOFDD-RRAHZORUSA-N	482.649	6.499	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	9193181	WJLTXRUAQJLLAL-IJQXDZDCSA-N	483.597	5.469	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)c1cccs1	9805784	UWGTUDZEMNOJRZ-PDGQHHTCSA-N	457.985	6.027	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc([C@H](C)Oc3ccc(Cl)cc3Cl)n2n1	12955316	UOGRWJBQRDTLJI-INIZCTEOSA-N	483.424	7.312	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O	14132736	MQQPXKACHBDQRV-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
COc1cccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	16001095	VCOGBTMTISMTDJ-JIMJEQGWSA-N	483.951	5.371	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Br)c1	20032491	NEPQTOQJKSSIGR-JLFKZYKSSA-N	498.402	5.301	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	33788008	JWZJUZHVQPWDHQ-NHDPSOOVSA-N	498.944	5.610	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C	34387760	VCEQAJVCLFTXNC-UUHKWMDLSA-N	465.888	5.237	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N=C2S1	41083013	OCFPVQDJPORKRT-OOYUFVOFSA-N	470.942	5.238	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1	41084885	RNMUTXFFMBKBQV-SNCYIGMASA-N	473.646	6.133	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	58883590	JPXNSSCYLLFVFT-ZHZULCJRSA-N	454.364	5.624	10	40	JKCB	
CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)cc1	102873244	HBRIMKMFLDBAPG-ONOMSOESSA-N	455.577	7.301	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12	103918495	ODSZJAGTITWZMU-HAHDFKILSA-N	465.941	5.339	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	223494005	YIAXFNQNMJYTDD-QRVIBDJDSA-N	477.586	6.242	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224366121	HRYFHEYENRMVDI-WDYNHAJCSA-N	480.681	7.098	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)nc1	224374065	VBZLOIQFXCBEGX-NSOVKSMOSA-N	481.669	6.493	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224530749	ODWACGFEHMGCAR-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224536235	UPDATXGPJKSLAL-YTMVLYRLSA-N	496.680	6.600	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224898432	GFELYUSXPRLULS-IZLXSDGUSA-N	484.644	6.676	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c1	260564961	GBLFAGTUFZZQHZ-VLZFXTDASA-N	477.630	5.700	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	260569513	QROUQFHHOPBNEY-VYZAVGSRSA-N	451.998	5.934	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260910201	CHLXRZPYEXQHPC-YMVVMYQSSA-N	460.647	5.257	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1	408737306	BLWKUCYLKYNVLN-HMMYKYKNSA-N	460.327	5.707	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2cccc(C)c2)cc1	408752763	GTDKHTMIPHCDSN-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408892091	BAPRKNXYHRBTLN-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	408967541	UAFGGEDFJSYHBK-CIAFOILYSA-N	496.007	5.841	10	40	JKCB	
COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl	409048158	QSXSSRFJNBIINN-YBFXNURJSA-N	497.334	5.247	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)c1	409096326	JPLMINRUNVYQFV-UDWIEESQSA-N	484.961	5.843	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	409159735	WURDGOFPKYIEKI-YZIHRLCOSA-N	463.002	7.675	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1	409214409	UWWJHSLXIULGDT-VCHYOVAHSA-N	459.907	5.843	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc2c(c1)OCO2	409332847	SCAZBVYJLGYNRM-DJKKODMXSA-N	486.914	5.643	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc2c(c1)OCO2	409338090	CXQOFBJRSUDMKQ-DJKKODMXSA-N	476.362	6.388	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1C	409339929	MWFGDCFNYZJVIV-PKAZHMFMSA-N	481.642	7.441	10	40	JKCB	
O=C1c2ccccc2C(=O)C12[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1	8437995	KREPQDGTEDYFPN-RUZDIDTESA-N	462.936	6.166	10	40	JKCB	
Clc1ccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)cc1	8445700	CJRTUUOIMWYDJZ-QCWLDUFUSA-N	457.881	6.146	10	40	JKCB	
O=C1/C(=C\c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc2N1Cc1ccccc1	8768102	XOOBLRFMVBWCPB-MEFGMAGPSA-N	483.571	5.727	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1	9076287	YMPOYQOXMZSAAY-UFAQQFSPSA-N	495.554	6.009	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)cc2)cc1	9187884	CANMKTBCMZWFHT-DIBXZPPDSA-N	483.637	5.362	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O	9232258	PGUNYRRHARASTM-CJLVFECKSA-N	462.596	5.565	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9232486	FYYYBMSTGXIFGV-UOSKESRZSA-N	474.417	6.066	10	40	JKCB	
COc1cc(OC)c(N2COc3ccc4c(=O)c(-c5ccccc5OC)coc4c3C2)cc1Cl	9422612	KUQAOBILQQNDAN-UHFFFAOYSA-N	479.916	5.496	10	40	JKCB	biogenic
Cc1nn(-c2ccccc2)c(Nc2ccc(Cl)cc2)c1/N=N/c1cccc(Cl)c1Cl	12650950	WEIBRXIIUCVYJR-BYYHNAKLSA-N	456.764	8.300	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCCCOc1ccccc1	13892823	NITVZDBZKJVWGZ-KQWNVCNZSA-N	476.960	6.003	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F	19798348	DZTSAJQVWFOFLK-YVLHZVERSA-N	482.396	5.397	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)cc2)c1	33458063	HDFMXIKONGXSIQ-VCOIRPETSA-N	496.592	5.581	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847119	LVWNLZRYNOIRAJ-SGIRGMQISA-N	450.535	5.462	10	40	JKCB	
CCOc1ccccc1/C=C1/C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)N=C1O	59860367	IONUSGKEBJNBMR-ZVHZXABRSA-N	470.569	6.060	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)cc1	113837528	ARYKUWIVEQSRFO-CJLVFECKSA-N	463.580	6.309	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Br)cc3)C2=O)c(OC)c1	204987695	BYSADFOLDAQSON-KGENOOAVSA-N	493.357	5.309	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc21	208475197	HPAQKBHNOAIHFH-YBFXNURJSA-N	466.006	5.111	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1Cl	223619731	AGWDQUDTJBTYQT-FGZHOGPDSA-N	475.445	5.151	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1O	225045191	MFYMHNNNUFYEKK-WUFINQPMSA-N	497.668	5.669	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21	260922648	QZRWBHPMVPZZRM-RPWUZVMVSA-N	484.113	5.291	10	40	JKCB	
O=C1C(=Cc2ccc(Cc3cccc(F)c3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408876405	OJWFWMHUBRHLGT-UHFFFAOYSA-N	492.575	6.165	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1	408882487	REDKODSBBGCZEI-RGVLZGJSSA-N	485.298	5.378	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409056088	MFZWZACHXBGTLK-YUMHPJSZSA-N	468.597	5.892	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O	409339753	XTKYODSXBKAGBE-MXAYSNPKSA-N	493.669	7.098	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)cc1	8821684	DPCWXWGKOQIQLQ-ITYLOYPMSA-N	456.611	6.999	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1	8821723	FMJOYAFVUHXBFZ-BWAHOGKJSA-N	490.028	5.712	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9193717	JLOYYQGWHGJSJW-DVELLGFNSA-N	459.619	5.910	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1Cl	9292411	OFVJHJBZPSJCKV-WOVJFNANSA-N	480.037	6.255	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4ccc(C(C)(C)C)cc4)c4ccccc34)C(=O)N=C2S1	9307806	VXZIQEOHIOOBNR-LLIKLIDUSA-N	498.652	6.575	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310259	SYDQHLRKDMEHQN-WOJGMQOQSA-N	487.356	6.023	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1cccc(C)c1	9720760	XEEAEYCRZUMNGA-IWIPYMOSSA-N	477.607	5.997	10	40	JKCB	
CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc23)SC1=S	58822124	AGNDZKAUBUMYNV-UDWIEESQSA-N	470.413	6.012	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	106684833	FAWAVYVNZDJMPK-XKZIYDEJSA-N	452.963	5.993	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc2C(C)=CC1(C)C	208513720	BUWRXWFNGCABSZ-UDWIEESQSA-N	494.389	5.137	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1C	223899852	RCSYGNIHETVGKH-FQLXRVMXSA-N	495.696	6.349	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436653	ZFDVEYZOBMKXHV-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1	408766834	SNWZNDATRZXEDI-KEBDBYFISA-N	454.313	5.067	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1C	408798436	FEDVQQXBZCYNNP-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)c1	408806755	BPKOASPWJBQTDM-OEAKJJBVSA-N	474.944	5.511	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(-c2ccccc2)cc1	408968957	DRJNXIHMZSDEGN-ITYLOYPMSA-N	485.509	7.110	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408971652	KVLBSNOOVNWWCW-STZFKDTASA-N	479.889	6.692	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O	409015306	ZLAWOIUVUAMSDF-VVSAQIQQSA-N	467.374	5.389	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1Cc1cccnc1	409134795	QDPASHSXMZXLJS-IWIPYMOSSA-N	471.607	5.517	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	409329482	GJPNMWZAAVTQCQ-NJDFMEINSA-N	468.427	6.585	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1Cl	409329992	IQSAZZYNRPSXCS-VXLYETTFSA-N	496.824	7.321	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccccc1F	409335037	YQKBFMQYAXXKAC-MTJSOVHGSA-N	490.408	7.117	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1Cl	409338359	IKNUGKMVQURWKM-FYJGNVAPSA-N	453.972	6.547	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1Cl	8742522	CUZUPBLOAZXZET-XKZIYDEJSA-N	499.954	6.167	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(C)Cc3ccccc3)C2=O)cc1	8819828	PKUNHBHPQPTEPH-XLNRJJMWSA-N	452.645	5.415	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	9076115	UWRQOBHLDFNQBV-FHAGJXEFSA-N	470.481	5.427	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1	9260746	KLRRQSDNQTYOHW-STZFKDTASA-N	490.357	5.273	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S	12318386	PFQXPUNWDPXKIQ-PXLXIMEGSA-N	457.617	5.381	10	40	JKCB	
CCOC(=O)c1c(C)sc(C(c2sccc2C)c2sc(C)c(C(=O)OCC)c2O)c1O	12413784	IFALLTATXHSQOJ-UHFFFAOYSA-N	480.629	5.741	10	40	JKCB	
C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1	12601431	STRMDHBIOZBHTM-ZLBRTXFESA-N	458.562	5.462	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1	13940190	GMGRLVXSYLQEHU-FWMAWXJYSA-N	476.602	5.571	10	40	JKCB	
Cc1cccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2Cl)c1	13940511	NNPJICQTJGSUIJ-BOPFTXTBSA-N	454.400	5.591	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)SC2=S)cc1	16292284	DWIODOCZEZXURD-QRVIBDJDSA-N	484.017	6.768	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N[C@@H](C)c3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	16735096	DYUREOUUIGOPPL-IEGJVIMNSA-N	478.643	5.176	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCc3ccccc3C2)cc1	16913993	DCZOQFUGOXCDJN-RFZHRTLMSA-N	457.662	5.185	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c(C)n1-c1ccccc1	23483041	HURRSOPLDDHOFK-LJQANCHMSA-N	477.609	5.412	10	40	JKCB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	27496040	OVWVPIOHDHHHGH-BYYHNAKLSA-N	464.591	6.165	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847418	JJVILSBSXQMCJM-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139093	PIYMMOPNRVNIFF-KOEQRZSOSA-N	496.950	6.800	10	40	JKCB	
O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)cc(/N=N\c2ccc([N+](=O)[O-])cc2)c1O	104209360	MRNBDIGPVRKDOB-YEUCEMRASA-N	471.407	5.076	10	40	JKCB	
COc1cc(/N=N/c2cc(CN(C)C)cc3ncccc23)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1	104209884	XQYJMZDUTFYABG-OAZKENCHSA-N	499.531	7.053	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208257412	QZHHAAILHHZDJG-IPZKOZABSA-N	458.389	5.808	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103509	APRIQNSYFZRNOR-FTJBHMTQSA-N	479.093	6.756	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cc(Cl)ccc1O	223377008	LANFDFWLUHMCOR-FTJBHMTQSA-N	489.044	6.021	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1	223514941	FLPATGQNNZFEKM-BUVRLJJBSA-N	471.601	5.634	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224239359	NJNRTEZBWHGDEU-PXJZQJOASA-N	480.681	6.900	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408790631	SZIJSQDOGWHDLX-LFVJCYFKSA-N	471.557	5.067	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)S1	408812291	MOUCZEWDYDPNME-UHFFFAOYSA-N	467.014	6.136	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)c1C	409022070	DKKFXSNZJRFKEU-LDADJPATSA-N	468.987	5.836	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409209082	FSWJMKWNOIABRH-VXLYETTFSA-N	477.800	7.295	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409223825	IQUGRKOTIVGHOF-UUYOSTAYSA-N	484.499	6.032	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O	409240621	QSWRETKKHDIEGU-UVTDQMKNSA-N	486.267	5.136	10	40	JKCB	
Oc1ccc(/N=N\c2ccc(Cl)cc2Cl)cc1-c1nc(O)c2c3c(sc2n1)CCCC3	409262562	FVEZABPTOXBHLN-DQSJHHFOSA-N	471.369	7.371	10	40	JKCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S	409331671	OWKKHQGEUDVTTO-SXGWCWSVSA-N	454.798	5.513	10	40	JKCB	
COC(=O)c1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)o1	409391860	KBFWOHSNGJYFMV-XKZIYDEJSA-N	474.563	5.475	10	40	JKCB	
Cc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)o1	8431878	IPXBCLBYDRIRSK-UHFFFAOYSA-N	458.473	5.831	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820499	WGPSKVBWMKSAAF-SQBXPZIGSA-N	480.611	5.040	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N12	8837430	PYJDTIDVAWMSAB-PAMLCIOASA-N	482.521	5.478	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)SC2=S)cc1C	8870037	SWHCZLZRYUGYHS-ISLYRVAYSA-N	470.666	5.561	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1Cl	9234498	UUBDFNJMRBNZEO-RGVLZGJSSA-N	485.970	6.021	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9282695	LQLZRFAIBJAFMB-VXWJBAAHSA-N	487.654	6.141	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c1C	9290838	GMZIFWCAAKPDJL-FJVWWGQZSA-N	499.665	6.167	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1	9462067	YYNJTMHYNWZVNJ-HMAPJEAMSA-N	479.696	6.509	10	40	JKCB	
Oc1c(Br)cc(Br)cc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21	12523838	BXPDOMPVUNTSSC-FQEVSTJZSA-N	471.152	5.906	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	15188094	UIUUKNPPJKXXOP-AOJNWGRGSA-N	499.479	5.369	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16033679	QLFPNAWQGVLPOU-JIMJEQGWSA-N	467.952	5.671	10	40	JKCB	
Cc1cc(/N=N\c2c(O)nc3ccccc3c2O)ccc1/N=N\c1ccc(C(=O)N(C)C)cc1	102491248	UUWOOGAKBOGZIN-ZUELCTOOSA-N	454.490	6.487	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)SC2=S)cc1	113833765	QBOBLIKFPHYAAA-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
Cc1ccc(S(=O)(=O)C(/C=C\c2ccc(N(C)C)cc2)/C=C/c2ccc(N(C)C)cc2)cc1	199496589	BJRCVRAOOWXXBB-AYRZQKSOSA-N	460.643	5.696	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCc1ccccc1F	208526618	WHLMWQFFDFSCRK-XYGWBWBKSA-N	476.573	6.448	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208533428	HABAQYGYPWXWCY-XKZIYDEJSA-N	493.007	5.202	10	40	JKCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222786196	LATPUTAHZWZMQP-LEWJYISDSA-N	455.425	5.244	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223051896	NYAGXGAVYARIBG-DHIUTWEWSA-N	488.579	5.517	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	223760021	UCXZMMOXDHYVNE-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Cl	223857622	XUNUQLSAMWVBGM-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172329	ZLCXHNCCEJUNEM-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224301425	QUIIVMQEXNECAD-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	224337359	WRFYHFDXOXYMPF-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1	260919493	LRRBDBYXWLCSFZ-ZSQFBXSQSA-N	460.647	5.257	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	408602969	PJGMBFVDIYAMFH-ZROIWOOFSA-N	496.133	6.227	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(Br)c3)C2=O)cc1	408752970	KHTKPYAXLRTZKP-HZHRSRAPSA-N	477.358	5.691	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c(C)c1	408761410	FANKWPHEYKUSKK-CIAFOILYSA-N	463.990	5.196	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1	408783881	RYEURFWXWQDAHB-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\S[C@@H](Nc4ccc(CC)cc4)NC3=O)c2C)c1	408791487	ZGLQZJJRGVDNSS-QFDNUGPTSA-N	475.614	5.433	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(C)c4)ccc4ccccc34)C2=O)cc1	408795339	BXICFICFAVLMPA-OVVQPSECSA-N	490.559	5.956	10	40	JKCB	
CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Cl	408835223	NLXGGZFJMWJCTH-JYRVWZFOSA-N	487.261	5.467	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408945596	WYEYFRIGMUGZQH-FYJGNVAPSA-N	465.336	6.014	10	40	JKCB	
O=C1C(=Cc2ccc(N3CCCC3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408960639	NKIMRDVDPDKODH-UHFFFAOYSA-N	453.567	5.035	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3CC)C2=O)cc1Br	408983300	ANBRFGJVLSESCE-CJLVFECKSA-N	474.398	6.882	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409058303	NOVXOVNEGIMAHW-JCMHNJIXSA-N	478.951	6.154	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409061809	ILVOAVIOGBISFB-UNOMPAQXSA-N	499.369	6.417	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1	409088305	WRVONIUZKOTMQQ-SWKFRHMKSA-N	480.567	7.253	10	40	JKCB	
O=C1C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	409095059	GOLISRCVYPFZFL-UHFFFAOYSA-N	471.557	5.174	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc12	409146561	UHWPCRHGDSWHII-UDWIEESQSA-N	468.987	5.356	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409175898	DHRXLZUIEFOKHE-NHDPSOOVSA-N	473.953	6.603	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1ccccc1F	409209398	FFAODAPIXFXMSM-JVWAILMASA-N	494.616	7.388	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c(C)c1	409244509	DTWQCHHPHXXNHT-FSJBWODESA-N	491.588	5.834	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1	409339259	GGPNKEORXOJDLA-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N=C(S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(F)cc1	1276119	GKFCNOASRWPUSS-JAIQZWGSSA-N	487.478	5.495	10	40	JKCB	
CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OCc2ccccc2)cc1)CO3	2123941	OQGCBKBQGUYBCE-UHFFFAOYSA-N	455.554	6.380	10	40	JKCB	biogenic
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	2234949	JYBCTTGGQDFZBT-YDIMBITNSA-N	470.783	7.693	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3cc(Cl)ccc3Cl)C2=O)cc1	2383570	OALNERJZRVIUSG-HMMYKYKNSA-N	498.366	5.943	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2427192	NFFZOFQZKRXZAT-ISJGIBHGSA-N	487.477	5.728	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	8407872	GBZHMTFBLJFBJE-HGEMSSTASA-N	476.005	6.071	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1	8821744	FBROYAAPOUCILK-IWIPYMOSSA-N	457.555	5.615	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc([C@H](C)CC)cc1	9969730	NHCWMTAYITZMJZ-VWBBVOOFSA-N	499.698	6.668	10	40	JKCB	
CCCCc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccc([N+](=O)[O-])cc3)c2O)cc1	10059515	YNBQYOCFMSVTGX-QVIHXGFCSA-N	468.513	7.464	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@@H](c2ccc(OC)cc2)N2CCCCC2)c1O	11867328	KCVHBNKQBLABRJ-XMMPIXPASA-N	490.625	6.077	10	40	JKCB	
Cc1ccc2nc(C)cc(C(=O)O[C@@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c2c1	12635052	KSTODWXJHCCLMY-IBGZPJMESA-N	492.522	6.289	10	40	JKCB	
COc1ccc(-n2c(C)cc(C3=NN=C(NC4CCN(Cc5ccccc5)CC4)SC3)c2C)cc1	12642521	URBKWJQTEUNIHX-UHFFFAOYSA-N	487.673	5.164	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1	13562229	IGNHWTSTXBGWGL-LJQANCHMSA-N	454.039	5.939	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCc1ccccc1	13893351	QEHWFXKWXKVYHE-ODLFYWEKSA-N	497.334	5.247	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCC(C)CC3)c(O)ccc2c1=O	19793160	YVBQUHBIUDTADI-UHFFFAOYSA-N	477.479	5.940	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2cccc(Cl)c2Cl)C(=O)N=C1O	35327005	KXSUKMYSBXOJTA-GXDHUFHOSA-N	462.308	5.548	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1	58848709	ZDVIANJIWLDFDF-SGIRGMQISA-N	450.535	5.462	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4Br)C3=O)n2)cc1	100510840	KOBWJILXHCDSFU-IUBFCHALSA-N	470.352	5.456	10	40	JKCB	
COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103921324	HXFXDWXFLAUXLY-JWGURIENSA-N	468.538	5.220	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C	208511845	VHTFKUPAJXOPHH-OYKKKHCWSA-N	489.641	6.000	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC1=S	208730176	KWVJZUNWORANLN-DHDCSXOGSA-N	453.339	5.229	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223101717	IDURHQMWYPJVCB-AHKZPQOWSA-N	458.675	6.411	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223897874	KJZFZDRDKPCBMB-WUFINQPMSA-N	497.668	5.741	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171301	NGJGQNBYZQDICI-FTJBHMTQSA-N	499.596	5.583	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc2c(c1)OCO2	224607467	OAQMXGLLNKPHTA-CLJLJLNGSA-N	484.581	5.101	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1	225342681	ZRCNYNFJMJJXBB-WUFINQPMSA-N	482.653	6.453	10	40	JKCB	
Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)C(=O)O3)ccc2c1	408757501	YPLLCWYNQHCHPQ-GTWSWNCMSA-N	481.595	8.204	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1C	408816601	YZJKXDSVIBDYMI-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2F)N1c1cccc(Br)c1	408842228	JFNWTKZGGADARD-XDHOZWIPSA-N	466.266	5.331	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccccc3)C2=O)cc1	408843236	RCYROKSKGHVJEM-RCCKNPSSSA-N	461.315	5.070	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)ccc1Cl	408963919	JNOYONMNCUOCOG-ATVHPVEESA-N	474.822	5.735	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408968423	WMHCSIUPNPXPOY-IWIPYMOSSA-N	488.563	5.062	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409058628	UGNGFLYUTMRYIO-QNGOZBTKSA-N	474.532	5.427	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(Cl)cc1	409124477	KPOUZFYPPCRQOG-HAHDFKILSA-N	492.984	5.718	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409125467	MNVJFWPRDHSDJV-BKUYFWCQSA-N	493.928	5.228	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O	409242148	MVPVOBGXZRPXOC-YDZHTSKRSA-N	490.991	5.150	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccccc1	409334668	VPCXECLMOCHTOV-FMCGGJTJSA-N	479.001	6.888	10	40	JKCB	
O=C1NC(=S)S/C1=C(/C=C(\CC(=O)c1ccc(F)cc1)c1ccccc1)c1ccc(F)cc1	2573735	BNTIJPJRTKWMBF-GDBHHJMHSA-N	477.557	6.180	10	40	JKCB	
COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	8820132	KTZHCECLXFOFEL-HKWRFOASSA-N	475.035	5.749	10	40	JKCB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3cc(Br)ccc3o2)cc1	8846120	SQJJHHZLOIJVBZ-FQEVSTJZSA-N	457.368	5.083	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	8911480	BDCIOTDMIREENT-CPNJWEJPSA-N	458.992	5.163	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1	9309756	DZANNLYJBFSQEL-QRPNVLAJSA-N	469.614	6.053	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1Cl	9805554	UAVUEVMGNJNCQA-HAHDFKILSA-N	498.025	6.212	10	40	JKCB	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(I)cc2)c1	12040450	AGVYMQBBXBAROI-FMQUCBEESA-N	459.125	6.472	10	40	JKCB	
Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1-c1ccc(F)c(Cl)c1	12533814	MBUDWMSSPZZBTN-UHFFFAOYSA-N	455.990	5.919	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1)c1cccc2ccccc12	27015522	MCHOAENZCCHVIV-QKYYUXOMSA-N	475.591	5.439	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	33851693	PUKLQOIXWJFUHC-VHLAIDERSA-N	494.407	6.068	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc6ccccc6c5)c4C)C(=O)N=C3S2)c1	35103583	TUFBFYKWCKPVRZ-JOBZFMKUSA-N	489.604	6.223	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C(=O)N=C2S1	41083166	FVARWHVJVIHWHC-XGCFFSCVSA-N	497.020	6.127	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c(CN1CCN(c3ccc(F)cc3)CC1)c(O)c1ccccc12	54114397	FUWPOGBSXUCWEL-UHFFFAOYSA-N	462.521	5.238	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1	58849970	JWYWYUAHBSODAD-GLDPYIMESA-N	465.506	5.361	10	40	JKCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCCc2ccccc2)cc1	101473598	FYFVHEGTTKIXOQ-OQKWZONESA-N	484.650	5.816	10	40	JKCB	
Nc1nc(-c2cc(Br)ccc2/N=N\N2CCCCC2)nc2ccc(Br)cc12	104184431	KUMMYSBDKOAQDW-QPLCGJKRSA-N	490.203	5.889	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)N21	222671229	RDWDLYKGGMOHKV-SXSPYAJSSA-N	470.564	6.487	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223347513	FTPVXMKPJNTBRV-LOSJGSFVSA-N	458.587	5.263	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223763832	ZOFGOHKQIJHFCY-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223768172	TWMHKOIQPRJNKX-IZZNHLLZSA-N	469.614	5.378	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224397999	DDINZKWMUBSGRE-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020427	DBMXZHOKICZZTL-JWQCQUIFSA-N	491.617	5.321	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2sc3ccccc3c2Cl)c1	408760076	RBWAWJPEJNVYMU-XSFVSMFZSA-N	463.389	7.351	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1	408781863	FNLNPQLNMWMOJM-YZSQISJMSA-N	462.505	5.394	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1	408797951	HIHFDWFIVCKTFS-HYARGMPZSA-N	494.906	5.123	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1	408873858	WHWJJBQQNAJZIQ-XKZIYDEJSA-N	480.973	5.771	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	408902274	MQVJIIXBVNRSPU-PCLIKHOPSA-N	497.392	6.987	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(OCc2ccccc2)c1	409204919	DHSLQSTZKNFNNT-PCLIKHOPSA-N	491.682	6.068	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OC	409330684	LZFMUYKFDUWTAU-YBEGLDIGSA-N	468.369	5.401	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c(C)n1-c1ccccc1	409341636	FEGAIVDRYKNQHW-PCLIKHOPSA-N	481.577	5.922	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409342022	DKTAXMKIIGJWSL-UCQKPKSFSA-N	463.580	6.153	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409349055	UHABGVDZSOJGFL-SSDVNMTOSA-N	481.982	6.054	10	40	JKCB	
CC(C)(C)c1cc(-c2csc(Nc3ccccc3)[n+]2Cc2ccccc2)cc(C(C)(C)C)c1O	2676681	ZKBBSDMNWALVOS-UHFFFAOYSA-O	471.690	7.795	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)cc1	8821527	COAUCDCSTVNVDU-HYARGMPZSA-N	499.013	7.257	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	13788345	FBNZXZQNLIKMGC-ZYAFDPRBSA-N	494.407	6.068	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)cc1	16678548	CTOJQPWIOCMMHQ-GIJQJNRQSA-N	453.586	7.116	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccc(Cl)cc1	32099611	RNBPRZLXAKEVMD-QRVIBDJDSA-N	490.943	5.822	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	41076327	KIOZLCGWCNRKJC-DHJARPFTSA-N	492.626	6.000	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	58846324	NWKGLKGJCBKZOU-UNVFRBQDSA-N	465.018	6.584	10	40	JKCB	
O=C1/C(=C/c2ccc(N3CCCCC3)o2)C(O)=NC(=S)N1c1ccc(Cl)c(Cl)c1	59138125	KWODFTQFKZJFOY-SDNWHVSQSA-N	450.347	5.248	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O	208329400	RXKYOHYWYNJHDU-LUJYGJGBSA-N	459.590	5.336	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	223762912	MAHORCFWBJGGNB-WUFINQPMSA-N	497.668	5.741	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223824479	FFNMLPUGQRTAIC-KAYWLYCHSA-N	483.641	5.768	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371222	AGUZVAUXVBJKOZ-KYJUHHDHSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(C(=O)O)cc1	224605604	GHLIRIQBNDZQBD-RPBOFIJWSA-N	484.581	5.070	10	40	JKCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc3ccccc23)SC1=S	256055444	HDXGUSONPQWYMJ-NCJDQSJGSA-N	462.596	5.128	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)cc1	408754983	LZPIIFWWVXQYBL-CPNJWEJPSA-N	476.916	6.227	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C1=O	408816921	ZIIMOQQNHCAKFP-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)c(C)c1	408875626	GLYQOAULMDMGLL-UDWIEESQSA-N	479.363	5.867	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	408881770	KKGNWPNOJVSDBR-NHDPSOOVSA-N	467.934	5.892	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	408902151	KYASZRYVCSXTJY-FYJGNVAPSA-N	481.777	6.488	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1	409002290	ZOAVUAMPNMPLAB-MFKUBSTISA-N	479.605	5.446	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl	409017882	IJUKHPADIONMLY-UVTDQMKNSA-N	452.721	5.533	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409062664	YQCPMIRMHWKBNY-JLPGSUDCSA-N	484.552	5.066	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S	409098677	JGNZMMMCWOADDZ-XSFVSMFZSA-N	464.999	5.631	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccc(Cl)cc3)c12	409148192	YKRXPSLAKPLBJT-QRVIBDJDSA-N	493.053	6.900	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)cc1	409330332	LDGZSJFPGVHRMK-ONUIUJJFSA-N	484.646	6.803	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OCC	409331240	MXCNOHXMVZTENE-DEDYPNTBSA-N	458.561	5.578	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409339436	VRXBQMGTVJNAFW-UDWIEESQSA-N	479.539	5.505	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(Br)cc1O	409347790	RBSOGBMAKVSYRU-FRKPEAEDSA-N	454.342	5.098	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)c1	409349224	UXQWKJVOICTJJR-YBFXNURJSA-N	497.575	5.471	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C)c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c1	8659840	RRMWZKLESODVMI-WTHRLWDASA-N	490.567	5.432	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9158798	HFWWKBHMUWSZLF-RQFVJUFOSA-N	457.559	5.478	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C(C)(C)C)cc4)c4ccccc34)C(=O)N=C2S1	9236193	PFIIKNHYPJWZRQ-GGLRMMABSA-N	499.640	6.047	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	33912484	UEAUOHYUNQNQFY-HGMBWOCJSA-N	461.635	6.273	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(CCO)cc1	38548698	DDNDKAQJEUAUKD-QFIPXVFZSA-N	486.409	6.354	10	40	JKCB	
CC(C)N(CCCCCN[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O)C(C)C	65090327	ANJUSIYXODUKKE-SKXXTYMPSA-N	481.641	5.763	10	40	JKCB	
Clc1ccccc1CN(/N=N/c1nonc1-c1ccccc1)c1nonc1-c1ccccc1	100261817	STGRUWZEQZCPSC-QCWLDUFUSA-N	457.881	6.146	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1Cl	100525208	RVQLENVHQCVQDV-LRDZBDLTSA-N	474.771	6.101	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2	102185453	VAVYKRZJAZHPON-ORNVVXIYSA-N	459.608	5.071	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccccc1	113832040	FIFMMIUYHFXHFU-FYJGNVAPSA-N	455.963	6.464	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222833485	NYLKNTQWSJGPDV-YADHBBJMSA-N	459.446	6.177	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	222971274	MZTNGCNRJZHZFP-ZEQRLZLVSA-N	453.055	6.224	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Cl	223345566	ZTRKVUJUOALZLT-ZEQRLZLVSA-N	463.006	5.908	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1	223509995	XTMMGNTXCUAGEP-OEAKJJBVSA-N	473.573	5.080	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223757673	KVHXZBBUTDYVKE-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224170247	ACEOHYBWRAVPRZ-BDYUSTAISA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1	224197336	IVSBMJGAZQDEMO-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224206263	JGWJMPXDFROVKD-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c(C)c1	224272171	IIRHUOIVNYBAHV-MFMCTBQISA-N	494.708	7.208	10	40	JKCB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c(C)c1	408645014	UEXLTTHNDMZTNO-QFIPXVFZSA-N	450.538	6.241	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Br)N1c1ccc(O)cc1	408753968	CQZOTIMMXPPXTN-DEDYPNTBSA-N	498.174	5.752	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)c(Cl)c2)cc1	408784482	UACIZVKYWNDVPV-LDADJPATSA-N	495.760	6.790	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1	408807294	GXIAAOPVFWIVHR-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Br)c1	408875701	LJEZYAJFSNJOMQ-XDHOZWIPSA-N	495.760	5.360	10	40	JKCB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408884284	WOOUKWJFTUQJRA-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1C	408890084	NNFOMDDINAHLJF-CIAFOILYSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)c1	408893282	DOADNJKLJVXFRF-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccccc3Cl)C2=O)cc1	408897113	VTFDGFZXKDLGST-HYARGMPZSA-N	490.943	5.156	10	40	JKCB	
Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1	408942268	YRPLIOVYPUGSFY-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	408943289	YSTWRFLXOOWXDB-JMIUGGIZSA-N	474.775	6.147	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409024466	TUNHUAOVUBHZBA-ONUIUJJFSA-N	453.538	5.760	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=S)N1C[C@H]1CCCO1	409078210	IALULSGOMNPHKV-LELXDKESSA-N	480.438	5.953	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccccc3Cl)c12	409132974	PSMGBRZVZKYUPB-XBPUZACXSA-N	497.085	6.286	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409177160	CLWKKFWANXQBEY-GIJQJNRQSA-N	495.340	6.707	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1	409238377	NINLKUNCUMCTSR-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1C	409241300	QYEBTHKJFQFTSA-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O	409328484	WDDMOPAZQVKFDA-DEDYPNTBSA-N	470.413	6.407	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl	409329393	FOMKDTULZMFTTA-NDENLUEZSA-N	485.970	5.801	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	409329500	DNVXBUOMQVVDGO-ODLFYWEKSA-N	490.389	6.446	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409350446	RPNCNAJZLZZAEW-YBFXNURJSA-N	499.957	5.850	10	40	JKCB	
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1CNc1ccccc1Br	3101299	YLGPYOPAERXEQN-NVNXTCNLSA-N	474.232	6.027	10	40	JKCB	
Cc1ccc(-n2c(C)cc3c2CCc2c-3nc3c(c(C)nn3-c3ccccc3)c2C(F)(F)F)cc1	3223617	SZNXYTGAAOVERU-UHFFFAOYSA-N	472.514	6.921	10	40	JKCB	
COc1ccc(C(=O)c2ccc(/N=[N+](\[O-])c3ccc(C(=O)c4ccc(OC)cc4)cc3)cc2)cc1	5742463	YUHAZNCFYKSPDM-FLWNBWAVSA-N	466.493	6.092	10	40	JKCB	
CC[C@H](C1=NN2C(=N)/C(=C\c3c4ccccc4cc4ccccc34)C(=O)N=C2S1)c1ccccc1	8411395	RAJDXCVLLBNDSN-ZTNRKCRGSA-N	474.589	6.806	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(OCC)c3)C(=O)N=C2S1	8453071	MKTYGGYXQLVHLX-UCXLZHGVSA-N	492.601	5.271	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1	9233117	JHOBSPDPCRJKKN-KEBDBYFISA-N	488.348	6.497	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccc(F)cc1	9295766	QTTRYQOVEURHQT-XKZIYDEJSA-N	453.535	5.945	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)SC1=S	9462189	HXBYSRZZTNYNEH-JWGURIENSA-N	479.696	6.653	10	40	JKCB	
COc1ccccc1N(C(C)=O)c1nc(CSc2ncc(-c3ccccc3)n2C)cs1	12559379	PSFHHVWVTHBHSW-UHFFFAOYSA-N	450.589	5.529	10	40	JKCB	
COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)coc2c1	13096621	KMZQQQIZXDWIMF-UHFFFAOYSA-N	486.351	6.124	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	13602786	YDBXLFGHERCAIV-IWIPYMOSSA-N	496.053	6.719	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccs1	15944979	MURZFROBZXTOEC-ZHZULCJRSA-N	467.593	5.772	10	40	JKCB	
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(N(C)C)cc2)cc1	20970028	LMQLLMNBJRXFLE-AREMUKBSSA-N	451.574	5.592	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1Cl	40006367	UPCUUNKYZVNLQJ-FPJJECCMSA-N	490.046	5.698	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1	41083096	ZEPVGKQEICUTFH-ZTPJVXOPSA-N	451.508	5.363	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1	58846239	SWLIXTJHXIVFRX-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	58848967	DYHHNWBPHHQWHY-ASHZAFPQSA-N	492.597	5.340	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(O)c1	59514415	UWXCMQZYAVLYHU-VCHYOVAHSA-N	452.523	5.663	10	40	JKCB	
CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)sc(C)c1C	62825022	CQZUYJWBSBWWNV-OQLLNIDSSA-N	495.047	5.035	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21	208449521	LSYVUIQWZLYVAW-LFIBNONCSA-N	486.424	5.456	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503066	HYSYVHFQJVPYFN-FTJBHMTQSA-N	488.060	6.019	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223541063	NRFWBVCVCQOAPN-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	224416771	LAMRWUBDZKHOQO-LOSJGSFVSA-N	458.562	5.506	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224904450	KJIQFRIGZYYUPM-YTMVLYRLSA-N	498.671	6.985	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020541	DBMXZHOKICZZTL-DQEYMECFSA-N	491.617	5.321	10	40	JKCB	
Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	225582183	RKKIPGYGVRPKQC-WUFINQPMSA-N	495.652	5.490	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4c(C)cccc4C)c3)SC2=S)cc1	408576687	YQMWGXWSTWXCGD-HAHDFKILSA-N	488.634	6.035	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)c1	408797124	BIYDUAVYFWCTGP-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1	408805443	BBFNTWPWSYGAPV-CPNJWEJPSA-N	497.334	5.247	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1cccc(Br)c1	408840671	DXLZUCKWYVDQNE-DEDYPNTBSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1ccccc1Cl	408880127	DKHKKIPVHOSACJ-HYARGMPZSA-N	488.971	5.613	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408933921	CDUWJCACBBVASO-UDWIEESQSA-N	483.376	5.404	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(I)cc3)cc2)SC1=S	409006375	JEUAPEAIQAXNKQ-BOPFTXTBSA-N	481.380	5.091	10	40	JKCB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC	409053188	MAPWMZOYAQBQOJ-JAIQZWGSSA-N	492.460	5.956	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC	409328492	WKMGQRUZPQVFNY-WQRHYEAKSA-N	478.433	5.879	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S	409344188	GCUYLRQTYOAZMH-YBFXNURJSA-N	472.931	5.923	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc12	409344247	IMXRIKCRLMVTHS-XDHOZWIPSA-N	456.386	6.017	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)N1CCCC1	409347985	PKTOCAKEXYFJNQ-HAHDFKILSA-N	496.654	5.109	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)o1	1160590	BZDITCDJMDQMLD-GZTJUZNOSA-N	481.848	5.332	10	40	JKCB	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1415659	WXCAKEXGAGNBQP-ITYLOYPMSA-N	486.593	5.147	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C3\SC(=S)N(c4cc(C)ccc4C)C3=O)SC2=S)c1	8870038	AYXDUDIZPJPXMU-ISLYRVAYSA-N	470.666	5.561	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	9293312	JYEGTJVCAWHJOC-ITCQOWKOSA-N	473.646	6.382	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC1=S	9310379	VZSZELFIDKSRAG-XDHOZWIPSA-N	477.485	6.260	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1-c1cccc(F)c1	12534828	VFMMVNKBZWKKBK-QFIPXVFZSA-N	465.506	5.104	10	40	JKCB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	13040468	UEGVRWBZWYLHHF-UHFFFAOYSA-N	483.902	5.560	10	40	JKCB	
COc1ccc(CCn2c(-c3ccc(N(C)C)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1	13129391	SHQPQBCGZPEIHK-UHFFFAOYSA-N	473.620	7.201	10	40	JKCB	
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c2n1	13148805	BPNDJLXXEPDSHC-QVIHXGFCSA-N	465.340	7.283	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1	13786070	MWSACQALWADOML-MOHJPFBDSA-N	472.635	6.282	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S	13942212	MIIYEBZOBVNPEC-JWGURIENSA-N	471.644	5.672	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C	13942661	YQFMXXGHFAMXQH-YXHWSSDLSA-N	492.601	5.127	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)c(CN2CCCC[C@@H]2C)c2oc(-c3ccccc3)cc(=O)c2c1O	20113143	QGPIZOQEGOUCIZ-PMACEKPBSA-N	476.617	5.620	10	40	JKCB	biogenic
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1	26593265	PJFRHKOZPYJRHZ-QNGOZBTKSA-N	492.062	6.116	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)o2)cc1	26675849	UJQUQIDMJWKQGS-FLNQGOITSA-N	484.537	5.099	10	40	JKCB	
COC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1	27019333	AYONMHUTIFDDRD-HKWRFOASSA-N	482.627	5.001	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)ccc1O	33395641	REOKIHVDZHUAQI-XDJHFCHBSA-N	451.610	5.198	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1	58846759	KQDAOWOQALEYBH-CLCZQPDDSA-N	462.590	6.576	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1C1CCCCC1	59087193	FUZOXRFZDMOAMI-CPNJWEJPSA-N	479.939	6.117	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1cccc(C)c1	59135883	HIASWMRWUBYVMM-XSFVSMFZSA-N	490.556	5.783	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ncccc2C)cc1	103922146	HQVPLMGCXWTOQV-PGMHBOJBSA-N	455.543	5.145	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc21	208469612	URFIBJCNHNEAHS-RGVLZGJSSA-N	480.033	5.420	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C	222956959	SDCFNVALSPBHQT-DHIUTWEWSA-N	455.027	5.621	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223610345	BOMRGXJTPPATPX-UOBPLZBXSA-N	479.621	5.466	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224170200	ACEOHYBWRAVPRZ-AHKZPQOWSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224202699	KLHBZNUCDCAIKM-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224266785	MRVJINAIDXWCPC-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224398736	PEXXMOXIYWVHLQ-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	224567338	KYJUILKOGBTGQG-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1O	224870696	IVENMBGNTMWFML-RPBOFIJWSA-N	491.016	5.731	10	40	JKCB	
COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1	408575568	MOUQNXODDXZUCH-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4Cl)c3)SC2=S)cc1	408575944	PEWUQMHYGZENFN-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCC(C)C)c(Br)c2)SC1=S	408604474	USSZODCJAMLUFJ-VCHYOVAHSA-N	465.438	5.440	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C	408758409	ZPMYTPCOLQKLMB-OVVQPSECSA-N	456.549	6.602	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c(C)c1	408762156	JMPSOMJEEVJBKP-KGENOOAVSA-N	489.955	5.924	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	408771238	FCLMYBVNMKDKMI-VCHYOVAHSA-N	488.758	5.721	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)S1	408804513	APXYMFMFDCQQBO-UHFFFAOYSA-N	473.021	6.972	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C(=O)NC2=S)c1	408808878	FVLIMMRFAWFXLB-HYARGMPZSA-N	476.985	5.367	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	408847167	ZWQLIVZWKLJJGZ-KGENOOAVSA-N	495.760	5.724	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Br)C2=O)cc1	408889589	FSKOLVHLTNZGKH-XSFVSMFZSA-N	491.341	5.003	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2Cl)c1	408892533	CFGKKTWNJAYHAE-LPYMAVHISA-N	488.971	5.819	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409123544	CNTKRTNDODGTCK-BKUYFWCQSA-N	483.376	5.973	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O	409233644	LNDXJRNNMJLOHX-MTJSOVHGSA-N	460.958	5.715	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1	409245160	OFNIIFUMSSSHPO-OEAKJJBVSA-N	494.016	5.985	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1	409330117	IXZHYVXWWXXFPY-LPYMAVHISA-N	478.570	5.557	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C	409348274	RZDINMWPXIRWLA-UDWIEESQSA-N	458.561	5.434	10	40	JKCB	
Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1C	3439294	ORPRAKPOXCVJPR-INIZCTEOSA-N	486.544	5.756	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1	6906860	UWKFQFKIHMRLIF-FYJGNVAPSA-N	481.982	5.974	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)SC1=S	8615407	LTNSZPRVAKDTEJ-HNLWVNFGSA-N	484.429	7.398	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cc(C)ccc4C(C)C)c3)C(=O)N=C2S1	8920801	LFSVUUQGOAQRGN-QGNOBFDASA-N	476.602	5.605	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1	9076598	IJMKHQVXOQGPBH-CXJVOSNZSA-N	471.557	5.283	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1	9187041	SLHLRAHEHISCKK-BUVRLJJBSA-N	461.608	6.297	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1OCc1ccc(F)cc1	9914754	FIRQDMCOMWQTDK-XKZIYDEJSA-N	480.517	5.210	10	40	JKCB	
CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)cc1OCC	11643457	TZWLSXOGBNGZTQ-NRFANRHFSA-N	481.618	5.257	10	40	JKCB	
Cc1ccc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	13025257	UQEPHELIAONJHY-SANMLTNESA-N	459.590	5.409	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)cc4C)C(=S)N=C3O)c2C)cc1	13880131	REWUZDIRQMLXGX-HYARGMPZSA-N	487.581	5.169	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1	13940955	JLCLUJYWDCUWDW-ZDLGFXPLSA-N	466.798	7.313	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3c(OCc4cccc(F)c4)ccc4ccccc34)S2)cc1	33699243	LTELYXCSYZLYSE-QQXSKIMKSA-N	468.553	6.949	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C	208324543	GRDDYEKZAPKKPM-NLKUQUHMSA-N	477.630	5.782	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223099210	HRNKWIWUSHILRH-IZZNHLLZSA-N	460.647	5.803	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223425484	HGCYSYRORFMTCB-YTMVLYRLSA-N	496.680	6.287	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224241282	HDPWTBKOSBWHKL-LOSJGSFVSA-N	453.615	5.678	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431233	VXJSWLXCVISJPV-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224463533	ODCKYLCWONNEGU-KAYWLYCHSA-N	487.072	6.882	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1	224603265	WQXYCSUSDVKGGY-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Br)cc2)cc1	408766025	NUUMBOMFTJNFNN-KOEQRZSOSA-N	483.365	6.445	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408820692	ZGWHEXYAUAJLDM-CIAFOILYSA-N	490.346	5.663	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1	408864919	BAGZAARBXDJJBL-NBVRZTHBSA-N	451.309	5.251	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1	408897241	IOKGQLSPZFKDJW-UQQQWYQISA-N	484.552	5.338	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C1=O	408940073	UBTGWYZNHZBVIP-MYYYXRDXSA-N	496.950	6.047	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1Br	408984968	JOCWQAREMDCFOW-XMHGGMMESA-N	450.763	6.882	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409014685	YBBSMGCEJDBVBC-XYGWBWBKSA-N	454.570	5.584	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409018700	YMXAXAJFTBEOSL-JWGURIENSA-N	494.513	6.380	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409069984	ZAWOZPXZVLAMNR-QGOAFFKASA-N	468.962	5.462	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1O	409329121	CVXUXGWRXKQNMA-VIZOYTHASA-N	456.770	5.223	10	40	JKCB	
COc1cc(OC)c(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1Cl	2118576	GTRKJHBGRIKIQS-UHFFFAOYSA-N	463.917	5.796	10	40	JKCB	biogenic
Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4F)SC3=S)s2)c1	8819258	DCNDVAWXUFHNET-DEDYPNTBSA-N	497.642	5.411	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(NC(=O)Cc4ccccc4)C3=O)c2)cc1	8821316	VKHSVBOCBZSDSS-HAHDFKILSA-N	474.607	5.049	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1	8821762	QVOVZDREZOWOHE-UCQKPKSFSA-N	477.973	5.960	10	40	JKCB	
COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	8842968	VIZQRFZKBBZGQI-UHFFFAOYSA-N	477.340	5.725	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(C)n1-c1ccccn1	9607803	GMFLCEYTUOPZFP-UHFFFAOYSA-N	494.020	5.623	10	40	JKCB	
CCCCCSc1nc2ccccc2n1CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	12550960	WLUMFZCBSCSQTB-UHFFFAOYSA-N	475.614	6.338	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC	14166046	IVNOVTIKTLIVNY-YZIHRLCOSA-N	476.598	5.640	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)c(C)c2C)cc1	16807681	DYEUISJGYDMMAC-UHFFFAOYSA-N	450.560	5.379	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Br)N2CCc3ccccc3C2)cc1	16914581	XYYGDHCDOAYILT-RUZDIDTESA-N	478.434	5.045	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F	32694323	LFJDUAQIQDCLOO-GHRIWEEISA-N	484.590	6.167	10	40	JKCB	
CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)C)c1C	44827057	VNCJCPGDCZBPNK-XMHGGMMESA-N	483.590	5.297	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1	58847918	CLPGLLPKUUNUJI-LZCXECNNSA-N	481.017	6.284	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21	208243124	LHLKGZKOLAAOBQ-CFFVULROSA-N	460.430	6.798	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4C)c3C)N21	222702475	IZCRQVOWEXIXPZ-VEXUSMLFSA-N	451.039	6.430	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21	223214334	QZRWBHPMVPZZRM-DNQXCXABSA-N	484.113	5.291	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223757763	KVHXZBBUTDYVKE-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1	224253066	KSMITTLLSUFLJR-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224538696	YCNFYRZORCFBFA-CLJLJLNGSA-N	469.614	5.378	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224607250	VYIGAWYTMXSSJX-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(Cl)ccc4C)c3C)N21	260766087	IZCRQVOWEXIXPZ-FOVJLYNBSA-N	451.039	6.430	10	40	JKCB	
COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1CC=C[C@@H]21	408736129	GYJAEAGHFKNFJA-ALTZYDRJSA-N	461.561	7.032	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Br)cc1	408752601	FERSXNUYAIDJIW-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)S2)cc1	408782317	HIESRFGFILTQDA-ASZNLBCTSA-N	453.611	6.409	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408844163	ORLQVIUBEUWDIM-CJLVFECKSA-N	472.997	7.096	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409014295	WZDKOWUNAWQOIW-JCMHNJIXSA-N	458.533	5.727	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC1=S	409202434	SEGWQSNPTLODPE-PCLIKHOPSA-N	470.619	6.375	10	40	JKCB	
COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O	409328166	PPNUFKXUFQSOHY-ZDLGFXPLSA-N	492.416	5.024	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1c(Cl)cccc1Cl	1281939	IUZXWCRJBBTMOG-HCGGYXKBSA-N	498.409	5.255	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12	2306921	IJCRZORITORAKG-BKUYFWCQSA-N	490.346	5.663	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1	2307091	UGGDMPAAQZLVOE-PCLIKHOPSA-N	469.585	5.675	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	2381900	QWRYEAOYHDHZGG-ZPWPBLDLSA-N	496.009	5.946	10	40	JKCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4s3)c2C)c1	2618428	UJZPVLFCKHMJLU-UHFFFAOYSA-N	494.594	5.252	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1	3769007	FBDFLUJNQCOLQG-WQRHYEAKSA-N	487.965	5.866	10	40	JKCB	
CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N(C)C1=S	3771403	MGHLYNGGOIAWKG-UHFFFAOYSA-N	477.589	5.410	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9161315	QJFUAGIXEOAVBB-LHFQHGSDSA-N	489.604	6.109	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	9307611	LSYTVJQLAVHCOV-FCASDSMHSA-N	478.430	5.731	10	40	JKCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2Cl)c1	12628764	JPKDCHZAGNPGNL-NDENLUEZSA-N	469.971	5.862	10	40	JKCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(-c3csc(NCc4ccc(C)cc4)n3)c2C)c1	12636795	BXIFRUJMIOBHQZ-UHFFFAOYSA-N	489.597	5.711	10	40	JKCB	
COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cc(OC)c1C	13146184	UYHOSSQDVFAABX-UHFFFAOYSA-N	486.362	5.222	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1	16678619	PYPKZOCWCPZUCU-UHFFFAOYSA-N	493.032	6.050	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C1CCCCC1	40006322	DAVWSZHQQWQRMA-MTJSOVHGSA-N	478.466	7.106	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1	41082903	IVEMMCXMMZOCLO-ZWEMGWPWSA-N	460.584	6.393	10	40	JKCB	
O=C(Oc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1	58928820	ITZCUBDXMRMYOX-QTEQDKRBSA-N	490.353	6.193	10	40	JKCB	
COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C(C)C)ccc1OC(F)F	95477748	MEAAYALSLCUFOD-UHFFFAOYSA-N	471.416	5.305	10	40	JKCB	
CCCCn1/c(=C\C=C/C2=[N+](CCCC)c3cccc4cccc2c34)c2cccc3cccc1c32	95913157	GKWQPNBGOAHMLT-UHFFFAOYSA-N	457.641	7.750	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc(Cl)cc(Cl)c2)cc1	103922334	QJOPTXLFCLCRFM-HMAPJEAMSA-N	470.331	6.278	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)S2)cc1	107713962	OMOBMWCTLVLUBI-XKZIYDEJSA-N	497.389	6.558	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(F)(F)F	223266158	LVKLBVZZNNFCBM-DHIUTWEWSA-N	487.595	5.042	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501655	GKEASMFUWUHFSX-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	223762545	HQGLBHVPOBWHQZ-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900083	XIITZLFOIRUVGI-FQLXRVMXSA-N	495.696	6.349	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223973829	YNEBCAQVQHMGER-SXOMAYOGSA-N	499.615	5.764	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224240902	XOVOQXZHUOWILE-LMSSTIIKSA-N	480.681	6.845	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224335998	CMRKNYACTIRVAE-KAYWLYCHSA-N	487.072	6.882	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(O)cc1	224870920	AGGXVMUDBIFLAC-LOSJGSFVSA-N	491.016	5.731	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	408573803	KQFITNNNLXCROM-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)c1C	408871743	ZJFVHFQNPUSVGZ-RCCKNPSSSA-N	489.369	5.323	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1O	408886105	IBDZXAYNZXJCSP-UHFFFAOYSA-N	478.957	5.193	10	40	JKCB	
Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1	409056214	NDFGEQOSOWLKTG-SFHVURJKSA-N	482.671	6.261	10	40	JKCB	
COC(=O)CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)cc2)c1C	409061407	WYVWDHSFPBQCEF-UCQKPKSFSA-N	494.016	5.204	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409121961	ZMEBPLONEFQROP-QGMBQPNBSA-N	467.374	5.389	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c(C)c1	409149010	VTVBIBMTCMDNJV-OEAKJJBVSA-N	471.626	5.468	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br	409327236	INCSTBNVBYNYSA-LDADJPATSA-N	464.406	5.652	10	40	JKCB	
CCOc1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	409331965	FWHNBZZULIBQJO-UHFFFAOYSA-N	474.589	7.297	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OC	409338191	FNQZETVXCIKHJB-DHDCSXOGSA-N	454.342	5.011	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	409340311	UWEZAAPMBQAYRW-FYJGNVAPSA-N	481.555	5.335	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc2ccccc2c1	2251474	HSUSYXVCDFTVMW-QNGOZBTKSA-N	467.015	6.113	10	40	JKCB	
CN(C)c1ccccc1NC(=O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)c2ccccc2c1O	4044744	YGWLZEYPLGPXNG-ZQHSETAFSA-N	470.485	5.683	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC(=S)N1C1CCCCC1	8694680	GSTGRTVQRHACEQ-FNCMLCAZSA-N	491.560	7.360	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCCOc1ccc(Cl)c(C)c1	8915897	UMDKERJBGQSOLS-XQNSMLJCSA-N	481.379	6.566	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1	9188529	KKSJSWBPCFYEJR-HMAPJEAMSA-N	451.544	5.819	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)cc1OC	33417609	GXBRLISUVPZOIY-BKUYFWCQSA-N	492.915	5.443	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	33665929	SOUDAMGPZWSNBN-SGNDLWITSA-N	485.967	5.982	10	40	JKCB	
COc1ccccc1/C=C1\C(=O)N(c2cccc(C)c2)C(=O)N(c2cccc3ccccc23)C1=O	59484894	ZKVCFYWZOLAWFZ-HKOYGPOVSA-N	462.505	5.740	10	40	JKCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1	103919984	LQNZOCBUXHLTBL-ODLFYWEKSA-N	475.357	5.255	10	40	JKCB	
C/C(Nc1ccc(Cl)c(Cl)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	103920987	UHHOLNFACXLELV-STZFKDTASA-N	467.312	6.039	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1	223345835	WEBUKTVIUXSAGB-ZEQRLZLVSA-N	463.006	5.908	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1	223536342	CIZHXZCLQMYWFV-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224187686	NGWURNSFHQHXEG-CLJLJLNGSA-N	482.609	5.453	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224209008	IZUFCNBVPDCNFJ-JWQCQUIFSA-N	453.615	5.678	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1-c1ccccc1	224885667	GTFQCAVSWSFXFX-ZEQRLZLVSA-N	460.990	5.717	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4Br)c3C)N21	260784009	UQHKGMCHTBGOIH-ZQMYSKGWSA-N	481.463	6.231	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	408742157	NLIHDLXFDPVUMS-UDWIEESQSA-N	497.374	6.961	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)c1	408759530	GOZMYHZHFZYFQE-RCCKNPSSSA-N	458.970	6.706	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2ccc(F)cc2)c1	408803819	ATYFAUNGGYJGKR-SRZZPIQSSA-N	494.906	5.042	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	408810139	SZBOKBMCEBJJMB-PCLIKHOPSA-N	478.504	5.099	10	40	JKCB	
CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	408822974	DGSDYEMONYFNEE-JYRVWZFOSA-N	473.234	5.077	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)cc1	408901921	IXPRDYGRHIJOTR-HYARGMPZSA-N	496.451	6.742	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409131866	PGKJYBMSDGDYEW-ONUIUJJFSA-N	491.056	8.036	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccccc3F)c(Cl)c2)SC(=S)N1Cc1cccnc1	409149560	JXCFIHQYVPBCPW-OAQYLSRUSA-N	472.994	5.425	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1cccnc1	409150065	ZKTDJBJUCGKBKH-OAQYLSRUSA-N	489.449	5.939	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1cccnc1	409162660	YGHWCLFZJILHBU-NRFANRHFSA-N	472.994	5.425	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S	409197394	DKQHSENXKCOELO-XYGWBWBKSA-N	470.619	6.375	10	40	JKCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	409250703	NNTMFNVRINITIO-GZTJUZNOSA-N	476.863	5.450	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1	409345089	KEHHNWHZONCPEL-NSIKDUERSA-N	490.187	6.070	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N(c3ccccc3)C2=S)cc1C	651450	KUBWOFYGKUDFQJ-HKOYGPOVSA-N	485.609	5.635	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2)s1	1301022	ZSMQWYOSALPLFU-HKWRFOASSA-N	479.652	5.354	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(Cl)c1	2056492	REXIYEPCAHXOCL-WQRHYEAKSA-N	476.804	6.768	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(OCc2ccccc2)cc1	2295994	RJLXWLPDQBJXFO-NCELDCMTSA-N	455.583	5.058	10	40	JKCB	
COc1ccccc1-c1cc(-c2ccccc2)nc2sc(C(=O)OCc3ccccc3)c(N)c12	8448627	VVYLEZMTIOJUHQ-UHFFFAOYSA-N	466.562	6.578	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1	8749070	UFQYIZVPXVSEJH-UCQKPKSFSA-N	498.025	6.342	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9009476	YGHHAFOYBFPGEP-UBFVSLLYSA-N	498.922	5.271	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)c(Br)c1	9296572	DTRCOEVWWKIDIX-UNOMPAQXSA-N	456.386	6.423	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(Br)c1O	30822641	WMCZMJAOOMDDTJ-NTUHNPAUSA-N	489.675	5.555	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	33765346	JIIPPYFJGHKKMT-XSBGCYDXSA-N	471.989	6.086	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	41107937	REYQFUZYTNAGIY-ZANWJZCZSA-N	493.514	5.780	10	40	JKCB	
S=C(/N=N\c1ccc(/N=N\c2ccccc2)cc1)NNc1ccc(/N=N\c2ccccc2)cc1	104380852	BHAPHPAFDMFFDH-RPQPKWQJSA-N	464.558	8.503	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1	208470002	YBWWUESVXAWCHM-UDWIEESQSA-N	480.033	5.365	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	223083140	IKTKZZKHPVYXBP-LOSJGSFVSA-N	498.618	6.813	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c(C)c1	223313659	LFMIMTIRCCSWFZ-GEWUYGHSSA-N	474.674	5.566	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223350399	VITRUQCWTAASGZ-IZZNHLLZSA-N	456.615	5.872	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N(C)C)cc1	223499872	WRCDQASSTCNECD-SVBPBHIXSA-N	482.657	5.123	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223560149	OBWBQFVTKKTDGQ-MMTNMYCKSA-N	491.657	5.417	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C	223728658	SUTYHPBSMPQUKG-XNMGPUDCSA-N	490.673	5.286	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1	224197476	IVSBMJGAZQDEMO-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	224341390	PUMFWIWPLVHYIA-DGPALRBDSA-N	494.708	7.099	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224605050	NYFALYTYEHQHFO-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1Cl	224973926	DKOKLARPFLDBBL-DQEYMECFSA-N	475.017	6.020	10	40	JKCB	
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N1CCCC1=O	225657025	RFUOLQQMDBMCEO-FQEVSTJZSA-N	450.652	5.406	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NC(=O)Nc1cccc(C)c1C	408536578	WSIQOGRRBQGSOS-BOPFTXTBSA-N	455.356	5.111	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N(c3ccccc3)C2=O)cc1	408850324	LILONHOBKAUOSO-QJOMJCCJSA-N	493.475	5.747	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408878147	WZNASDGXIRVLCO-OEAKJJBVSA-N	479.363	5.867	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(C(F)(F)F)=NN1c1ccccc1	408963378	APJSLAUBTZOJEJ-UNOMPAQXSA-N	491.296	6.921	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc2)cc1	409222308	WPADIRKHYWGNEC-FYJGNVAPSA-N	493.382	5.575	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1OCC	409339229	FWTFTQRIKCUVLD-MFOYZWKCSA-N	488.845	6.850	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccc(OCc2ccccc2)cc1	1452283	KNUYKPYDYSPANX-UCQKPKSFSA-N	485.590	5.293	10	40	JKCB	
COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1/N=N/c1c(O)ccc2ccccc12	4758266	QYWBQBADPDTPCU-JQRDNDPDSA-N	462.487	6.632	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc([C@H](C)CC)cc4)C(=O)N=C3O)c2C)cc1	8743563	GIBICELGYAPRPU-CTYFVSDTSA-N	469.585	6.677	10	40	JKCB	
CCCCC1(CC(=O)Nc2ccccc2F)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	9234867	WXDVLHMBKGRZDV-UHFFFAOYSA-N	459.521	5.326	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	9763401	HSJLBXMGTFVQKV-FHGNATFXSA-N	489.624	7.253	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccccc1O	9933388	BHGPGAXRNKVGKI-CAPFRKAQSA-N	484.349	6.886	10	40	JKCB	
CCn1c(-c2ccccc2)cnc1SCc1csc(N(C(C)=O)c2ccccc2OC)n1	12538424	WAZPOKWOZXBWAK-UHFFFAOYSA-N	464.616	6.012	10	40	JKCB	
Cc1ccc2c(c1)c(/C=C1/C(=N)N3C(c4ccccc4)=CSC3=NC1=O)c(C)n2Cc1ccccc1	13316782	HHKAEGACUXLFSB-UWTHTANNSA-N	488.616	6.611	10	40	JKCB	
CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)c(CN3CCCC3)c12	15079889	TWSLIANJMQHEAR-UHFFFAOYSA-N	471.395	5.239	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007101	OZBUWUCMKVRRFD-GSDHBNRESA-N	479.551	5.874	10	40	JKCB	
COc1ccc(/N=N/c2cc(OC)c(/N=N/c3c(O)nc4ccccc4c3O)cc2OC)cc1	17315658	RZIWRBCYBFOBKP-ZDXBJJIESA-N	459.462	6.503	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	20287318	AFQBFWDAEYUEKS-ANYBSYGZSA-N	497.595	5.047	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	33394491	RYJVJZATRFEFEY-FYJGNVAPSA-N	492.534	5.228	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1Cl	33580454	DMHXDBUWYVWBPE-DEIISRMLSA-N	473.989	5.723	10	40	JKCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	103919134	OIXQZQQGHUCERL-XHPQRKPJSA-N	466.610	7.161	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)o1	108100187	RFHKXBGOXDCTLB-WSDLNYQXSA-N	478.570	5.636	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)ccc1Cl	215264702	AJVHNTJENOOEIN-DJKKODMXSA-N	492.311	6.327	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222832979	PFQZKRTVFOQHHK-FTJBHMTQSA-N	461.679	5.716	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223233224	WBBUUHZEOSNXKP-VPUSJEBWSA-N	475.706	5.284	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1C	223349754	XJLKNHHNESSXJV-UIOOFZCWSA-N	456.615	5.872	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223392564	KDKIQGZCCXAGML-LOSJGSFVSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223422296	DNSJHZXVPQENHW-SXOMAYOGSA-N	484.625	5.376	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223422397	DNSJHZXVPQENHW-KAYWLYCHSA-N	484.625	5.376	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1O	225345051	CZHZYCUXMVXXLF-IZLXSDGUSA-N	498.652	6.159	10	40	JKCB	
CN(CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1	225748575	QGHUWVVPEFKTTJ-UHFFFAOYSA-N	459.659	6.028	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1Cl	408572252	FVUIKSACJURZNK-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O	408996057	NWBUHWBWSFILEV-LFVJCYFKSA-N	463.537	5.227	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N(c3ccccc3)C2=S)cc1C	409010032	AZUDOAXJQVILEG-UQQQWYQISA-N	496.563	6.451	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	409095388	AYPCZNVKPCSHCX-UDWIEESQSA-N	471.003	5.327	10	40	JKCB	
CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1	409108554	WTLRTLSMYWAARU-HYARGMPZSA-N	478.570	5.883	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(C)C	409334708	VWFCDUSWHCTBRS-KEBDBYFISA-N	482.454	6.833	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1Cl	409340089	QGGIARATNHMMRO-MHWRWJLKSA-N	474.431	5.469	10	40	JKCB	
Cn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1-c1ccc(Cl)cc1Cl	409340776	AWAXFMYISJKUMQ-BYYHNAKLSA-N	497.411	6.935	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)SC2=S)c1	409350781	SMOUQBLQTATZFX-UYRXBGFRSA-N	455.651	6.867	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(OC)cc3)CC2)cc1	1447726	MFBSXEQLZJXZCU-UHFFFAOYSA-N	491.595	5.431	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	2451911	XPDSVOATPDVUNT-TWJOJJKGSA-N	451.497	5.157	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821360	JLSBJZNIIFFAIY-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)C2=O)c1	9334795	FFTWFEQWIQNYIK-YVLHZVERSA-N	495.240	6.300	10	40	JKCB	
COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Br)cc1	13371331	UVMBSVDEIDVYGI-BKUYFWCQSA-N	477.354	6.326	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccccc1	13602884	KWZXPGZMJDVJBV-KQWNVCNZSA-N	491.590	5.719	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	13765869	FTSIRSCEVIOCHL-CSUZIONRSA-N	475.591	5.877	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	16694457	NDTZHEXVJLJLEC-BOPFTXTBSA-N	486.709	6.077	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cccc(O)c1	35623026	WKSCQALDQZRHSP-IBGZPJMESA-N	458.355	6.525	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	41076338	QAKMHIUYHDLYPX-HGMBWOCJSA-N	459.619	5.910	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1C	58846539	KBUUZBIBCFQGLS-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(-c2ccccc2)cc1	59135824	IGYOSANSESKUOQ-ULJHMMPZSA-N	495.579	6.572	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	70453924	BLRGVULOWSGBTN-UHFFFAOYSA-N	477.498	5.061	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	223083080	IKTKZZKHPVYXBP-RPBOFIJWSA-N	498.618	6.813	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223767468	VSPZWFGSUATLFC-YTMVLYRLSA-N	496.680	6.546	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224018296	QNDSKLJJMJMUOW-XTEPFMGCSA-N	496.636	6.012	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1F	224892380	XRWZOBTVUSXQEO-DQEYMECFSA-N	457.578	5.509	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F	224898974	JWFSEBUFPUCRBB-FTJBHMTQSA-N	474.580	6.253	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1	408764211	QRCFHEKGURAOPY-PXLXIMEGSA-N	464.338	5.489	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl	408800973	QOQGTSKXWVTVPH-PXLXIMEGSA-N	490.943	5.374	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1C	408804607	BCPNFPMBOQSBGK-FYAJUMGSSA-N	498.716	7.765	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2OC)cc1	408844863	PPISFECHUIPZCG-CJLVFECKSA-N	477.358	5.691	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C(C(F)(F)F)=NN1c1ccccc1	408972737	VYOWVTWZJMGBNM-WJDWOHSUSA-N	493.304	6.542	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3cc4c(cc3C)OCO4)C(=O)N(c3ccc(C)c(C)c3)C2=S)cc1C	408986718	DDFCFLHZISUFOB-UHFFFAOYSA-N	498.604	5.706	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	408987357	WTQYZCLKOSJKKC-CPNJWEJPSA-N	450.321	6.251	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409035258	JJVQDIOELDHYDA-QJZKUFFDSA-N	493.259	6.672	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409060091	SMYBLRZGYQBHOV-JLPGSUDCSA-N	486.568	5.297	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)o1	409064783	GEDFVAKSGXAZDJ-GZTJUZNOSA-N	471.365	5.702	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409067232	OQMFSXPTKQZWEG-OEAKJJBVSA-N	486.915	5.657	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)N1CCCC1	409136919	VOHQQAAAJQMGTG-JCMHNJIXSA-N	467.660	5.045	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc12	1747785	RALOMJUFWMBISX-LBPRGKRZSA-N	486.317	6.866	10	40	JKCB	
COc1ccccc1NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21	1829202	KYZSHBQIKNTYFV-MHZLTWQESA-N	498.626	7.610	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc2ccccc12	1864331	WHBDEHZGQAMEIR-PDIQIHEYSA-N	458.608	6.016	10	40	JKCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1	6065438	UTNYLHGGMUGRQB-XQNSMLJCSA-N	474.586	5.131	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3SCC(=O)NC(C)C)c2C)cc1	13038092	LQHDIVDXZCMORP-UHFFFAOYSA-N	478.614	5.059	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)c1ccccc1	13943954	NYTKPASAJDWKCA-JVDNRXPZSA-N	490.943	5.545	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c(C)c1	58846210	QARPGXXHXVGNQJ-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2)N3)cc1	58848615	WVRXYIHERCLQQB-CLCZQPDDSA-N	476.598	5.721	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=S)N=C3O)o2)cc1	59137825	USQABRYUSPVEGC-LDADJPATSA-N	454.960	6.064	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c1	205699039	JUPXIVKMHWYGBF-VXLYETTFSA-N	457.866	5.674	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Br	222830051	HZEHOPSVVGFKKG-YADHBBJMSA-N	469.452	5.633	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224337550	KWASTJRASAZMMF-SVBPBHIXSA-N	496.636	5.927	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	224558686	NZXFYYPLBPMBCV-JWQCQUIFSA-N	455.587	5.070	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(C(=O)O)cc1	224605553	GHLIRIQBNDZQBD-JWQCQUIFSA-N	484.581	5.070	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21	225007654	VQXYEGCJOOSGHQ-DNQXCXABSA-N	467.082	6.282	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(=O)O)c1	225017409	JDAQVMFUMAFCNT-RPWUZVMVSA-N	460.603	5.102	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C	408756830	JZEFYYDXAPZQOM-NDENLUEZSA-N	453.373	6.219	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2sc3ccccc3c2Cl)cc1	408839838	AUGPXJHODFTGFS-XMHGGMMESA-N	473.941	6.606	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408905269	WJZQLGQNZANMHK-KOEQRZSOSA-N	463.493	6.133	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408993068	BVAGLFPPKCFNHZ-FBHDLOMBSA-N	489.449	6.469	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N3CCCC3)c12	409125652	DPFOTXNUXUKHCF-KQWNVCNZSA-N	495.714	5.608	10	40	JKCB	
C[C@H]1Cc2ccccc2N1C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	409333150	HYAGMDNSJHCGPF-SFHVURJKSA-N	471.585	7.204	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O)Nc1ccccc1	409338286	HILPTLLZWPSEOX-BKUYFWCQSA-N	464.543	5.249	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c(Br)cc1O	409343442	GVBLOENYPTZFIP-RGVLZGJSSA-N	486.412	6.112	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)cc1	409376184	VOWJRKJOLSXZCZ-LDADJPATSA-N	471.365	5.647	10	40	JKCB	
O=S(=O)(O)c1cc(N=Nc2ccc(C=Cc3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	2049241014	NVBYMNFFVGBGMZ-UHFFFAOYSA-N	470.510	6.254	10	40	JKCB	
CCCCCCc1nc(/N=N/c2ccc(N(CCO)CCCC(F)(F)F)cc2)sc1[N+](=O)[O-]	2356096497	UWNZFTKBUFLQIZ-CYYJNZCTSA-N	487.548	6.731	10	40	JKCB	
CC(C)(C)c1ccc(OCCn2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1	813029	LPAYPNXXWHFMKA-LGUFXXKBSA-N	479.580	5.479	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1	8819116	ISNMQCLKYCDCFJ-KQWNVCNZSA-N	474.607	5.592	10	40	JKCB	
Cc1cccc(C)c1N1CC(=O)N(c2ccc(Br)cc2)[C@H](c2ccc(N(C)C)cc2)C1=O	9129752	XSOIXZGXTMGJER-RUZDIDTESA-N	492.417	5.253	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1	9425649	FMKGYGFDHXFHQF-MOSHPQCFSA-N	467.308	5.239	10	40	JKCB	
CC[C@@H](c1nnc(SCC(=O)c2cc(C)n(-c3ccccn3)c2C)n1Cc1ccccc1)N(C)C	9605613	BWRSLTAQDQAINJ-QHCPKHFHSA-N	488.661	5.117	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1	9659560	TWRKRFMWAOVPIB-XYGWBWBKSA-N	482.923	5.739	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1	13894363	MGZVXROACZTPAG-CJLVFECKSA-N	476.916	5.613	10	40	JKCB	
COc1ccc(OC)c(C2N(Cc3ccc(N(C)C)cc3)CCCN2Cc2ccc(N(C)C)cc2)c1	19326504	HXCVFWYYHDIXJY-UHFFFAOYSA-N	488.676	5.243	10	40	JKCB	
C/C(NCCSc1ccc(C)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	22742213	BAWPDDRBYVIMBE-CLCOLTQESA-N	484.650	6.012	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)c1	27519421	VZWMJAZXJAZOSK-OQKWZONESA-N	482.377	7.489	10	40	JKCB	
COc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21	58928606	BBUCGEDKQJYJBB-CZSZKKDXSA-N	462.933	6.662	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C	208530899	PGQXRWQGDCFAAE-OYKKKHCWSA-N	489.641	6.000	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223565953	BHBOTBGVTWHNGG-ICODJCHTSA-N	452.595	6.563	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223768045	TWMHKOIQPRJNKX-UIOOFZCWSA-N	469.614	5.378	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224239043	XPWSMJRFVFFNDX-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224300845	FFSZNVGSGLVUHX-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224303342	GYWHTIIPJKPNJH-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	224814538	IRAHOEFPUABRQL-PJVCEZMGSA-N	489.641	5.395	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccn1	225338059	SJTSVJLYQSCUQI-RRPNLBNLSA-N	483.641	5.848	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3C)C1=O)[C@H](C)CC(C)(C)N2C	260573828	ZZOKXFNAUVVRKU-VLZFXTDASA-N	477.630	5.700	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	260911996	DUMNGRJJBGRHIM-IZZNHLLZSA-N	454.643	6.199	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408585173	CCDCVKVBUSGLSL-BWAHOGKJSA-N	455.510	5.755	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	408808442	PPXPHKDSVPKHLV-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Br)cc3)C2=O)cc1	408843826	NVGIKDIKEBUZDN-RCCKNPSSSA-N	463.331	5.301	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1Cl	408870019	UVCKBDHZPKJONV-AQTBWJFISA-N	469.299	5.390	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1	408886078	HVQBWTFOJFGILP-UDWIEESQSA-N	494.906	5.123	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	408902270	MQDOMVXNQVMGDR-RGVLZGJSSA-N	499.767	6.627	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1	408987520	OYJLJJNYUHAAIO-IMRQLAEWSA-N	476.532	5.648	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C	409097732	NKNYIUNCKWESQL-LDADJPATSA-N	482.367	5.684	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c1	409238099	CABIGJJUQVGJEF-HYARGMPZSA-N	483.568	5.277	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1	409248922	HYCVSBMZJWFEPJ-HYARGMPZSA-N	458.539	5.104	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409347691	MNGPCRUWNZWPNT-NSIKDUERSA-N	490.187	6.070	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1-c1ccccc1F	2679555	PPJNEZDWWNQNEN-UHFFFAOYSA-N	451.592	6.092	10	40	JKCB	
COc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(N)cc2)C(=O)c2ccccc2C3=O)cc1	2761145	AAXJSBQEDMFXAL-UHFFFAOYSA-N	470.528	6.178	10	40	JKCB	
CN(C)c1ccc(/C=C2/SC(=S)N(Nc3ncc(C(F)(F)F)cc3Cl)C2=O)cc1	3178106	UDUOQIBXCLKBGF-VGOFMYFVSA-N	458.918	5.048	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCc1ccccc1	4136157	PVAFNDUVCWNFRG-QNGOZBTKSA-N	471.600	5.120	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)c1	8819191	UWPVTXVXILBNLL-JCMHNJIXSA-N	462.596	5.469	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(Nc4cc(C(=O)O)ccc4C)=NC3=O)o2)c([N+](=O)[O-])c1	8821880	RZCRWSFKAUKLFS-RGVLZGJSSA-N	463.471	5.252	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	9292048	YXQQZFWBAHNKJJ-QMQNJQOTSA-N	497.020	5.853	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCC3OCCO3)CC1)Cc1ccc(F)cc1S2	19359916	IQBYKZJJFMWOSQ-QHCPKHFHSA-N	456.627	5.078	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	20168302	LJIWTCOZEBXBSZ-JWWGGVBKSA-N	473.635	5.606	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	34827942	PFIZPAXYLSVDMI-NLFWRFBQSA-N	466.010	5.947	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1Br	98086624	ZIGLAVPCYBJBPY-NVNXTCNLSA-N	485.222	5.626	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224339443	PXVFDUVFRVSGAK-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1	408756051	QRGFBKNILRLJRI-HYARGMPZSA-N	481.777	6.336	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)S2)cc1	408777942	MRSWOSIJWWXDDZ-XOBACGFXSA-N	472.441	6.563	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Br	408882379	MXIBNAVHVHGFHE-XSFVSMFZSA-N	495.760	5.360	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O	408885291	YYWZQHQBHUQYIO-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1ccccc1	408912237	DRQYFALRKMSWKE-RGVLZGJSSA-N	494.906	5.123	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1	408938497	KPWVSPCHDHCFMT-YDZHTSKRSA-N	460.961	6.351	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N(c2ccccc2)C1=S	409021357	CYQWBDICDNSZNO-JJIBRWJFSA-N	471.626	5.665	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409062559	WSQBTGFXJJGBPJ-IWIPYMOSSA-N	474.988	6.323	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409073878	UGPCSQMUEWPRDG-BKUYFWCQSA-N	495.406	6.587	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1	409142708	LKGQYMWWKRDQTB-HYARGMPZSA-N	452.576	5.497	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)SC2=S)c(Cl)c1	409143372	DSYGRYDHVQNIIB-FYJGNVAPSA-N	482.030	5.602	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1	409203105	VCFYJGUBQJIAPF-JAIQZWGSSA-N	487.806	6.751	10	40	JKCB	
O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1cccc2ccccc12	409327591	LBFOQIOSZGTUTJ-KEBDBYFISA-N	465.397	6.489	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409330550	KRZGPWXWWDJYLX-UNOMPAQXSA-N	471.560	5.325	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)SC2=S)cc1	409331512	OJNOTBGUBVLFRN-OVVQPSECSA-N	497.641	7.223	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409347424	PXYIGINREWPGAT-WGARJPEWSA-N	497.597	6.553	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(Oc3ccc(Cl)cc3)cc2Cl)SC1=S	585152385	XHPSZSCVCHBRNA-XDHOZWIPSA-N	496.437	6.632	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(C)cc1)N1CCCCC1)c(O)c1ccccc12	2667760	APLRAQIVVGEOEZ-AREMUKBSSA-N	457.570	6.660	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	8450652	DGLIWNZXGCVGMG-CJSRDQHASA-N	457.534	5.209	10	40	JKCB	
CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)S1	8821777	HSMIMVNUABJSIB-IWIPYMOSSA-N	479.001	6.572	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1	9076376	OVYGPYPPALXMTK-XMSCMFJESA-N	461.949	5.370	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	9188550	IGFPDHZDNHMJPK-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	9306999	OZKHCTXAQCTIFS-ZNZIZOMTSA-N	451.497	5.157	10	40	JKCB	
CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	13787074	IFHLJEAIZMAHAY-QNGOZBTKSA-N	492.670	5.031	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1	13880831	QQORIIRBAAAZGQ-UCQKPKSFSA-N	459.571	5.386	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	27018181	GEULNPJBSGISBC-JWGURIENSA-N	492.626	6.229	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	33411562	NEUXKOSJEIFZES-DHJARPFTSA-N	488.444	6.600	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	34713552	DGNAVHUODBKYEI-UNOMPAQXSA-N	483.749	5.143	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1	35042595	QIACUXIXGWIIKH-NLRVBDNBSA-N	487.600	5.506	10	40	JKCB	
COc1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)cc1	59104571	CWQDSPYELVPGGI-GZTJUZNOSA-N	472.353	5.464	10	40	JKCB	
COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2O)cc1OC	72332578	FRURLUHNWYGLDT-NTKDMRAZSA-N	471.340	5.959	10	40	JKCB	
S=C(/N=N/c1ccc(/N=N\c2ccccc2)cc1)NNc1ccc(/N=N/c2ccccc2)cc1	104380867	BHAPHPAFDMFFDH-QBKXKWSJSA-N	464.558	8.503	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(Br)c1O	208673345	YFRVPHDJPWXEQN-WQRHYEAKSA-N	472.385	5.722	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	214814084	UOQJTTUKOQRDMD-SRZZPIQSSA-N	491.827	7.291	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927032	FUFNYNWAHDDNGC-DNQXCXABSA-N	469.054	5.780	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1	223332535	XIGBTSOKPVLLJX-RPWUZVMVSA-N	496.558	6.274	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223761237	OOIDFAUBLMUWKV-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cc(Cl)ccc1O	224597107	JGYXPZSWQREFAB-DQEYMECFSA-N	491.016	5.731	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(=O)O	224605122	BQUXRPKHLNJVRS-JWQCQUIFSA-N	484.581	5.070	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1	408694753	MIJYPMUOPKOKBR-LFVJCYFKSA-N	454.526	5.132	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	408758400	ZJUKPVQTOQZSRI-CIAFOILYSA-N	494.349	5.274	10	40	JKCB	
COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408863300	LRJQVDBUECKGGL-OWHZGTRUSA-N	462.387	6.863	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)C1=O	408895041	LPDGISLENWQYLB-YBFXNURJSA-N	499.325	5.686	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(I)c3)C2=O)cc1	408987340	WPNUGASQMCGYFC-HMMYKYKNSA-N	493.344	6.161	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(Br)ccc1OC	409054545	BOWQJUZPNNJBPB-RGEXLXHISA-N	460.368	5.021	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1Cl	409346947	OWEZQCJLSDYEOK-YBFXNURJSA-N	495.931	7.033	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)SC1=S	409350358	RLHOOOYMUCZJBV-HMAPJEAMSA-N	484.643	5.331	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)NC2=S)cc1	409378700	QOCQHPDVUYFYRD-KOEQRZSOSA-N	479.605	5.641	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cc(Cl)cc(Cl)c1	8765627	XXXNGSOATMDALH-APSNUPSMSA-N	455.363	5.363	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8788685	UHJZRZADRNOVMG-ZHZULCJRSA-N	476.019	5.765	10	40	JKCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc12	8951962	FXAHGALVUUIDKP-KRWDZBQOSA-N	461.514	5.045	10	40	JKCB	biogenic
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c(C)c1	9293410	QZVWIRHKKDOFAU-VZHDZHPESA-N	471.561	5.518	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c(C)c1	9553419	AATAHXSTGGPBSS-IMRQLAEWSA-N	498.673	7.133	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1	12032572	HMGNTCZMHDYTOT-HMAPJEAMSA-N	473.579	5.542	10	40	JKCB	
Cc1ccc(Sc2c(C(=O)Nc3cccc(F)c3)ccc3c2C(=O)c2ccccc2C3=O)cc1	12461908	QPDGMYBZGUGSLT-UHFFFAOYSA-N	467.521	6.313	10	40	JKCB	
CCOC(=O)c1ccc(/N=N/c2c(CSc3ccc(Cl)cc3)nn(-c3ccccc3)c2O)cc1	13785670	ZVTBCKKYBCEOBQ-BYYHNAKLSA-N	492.988	7.116	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCc3ccccc3C2)cc1	16914479	JMNGLPHPUWEGSU-RUZDIDTESA-N	467.535	5.301	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1Cl	100524875	ZZCMIKJGLRRABO-LRDZBDLTSA-N	475.317	5.900	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)C2=O)cc1	208329440	QACXBRVLYDCCAI-FSTGKYBXSA-N	459.590	5.336	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2C(C)=CC1(C)C	208509698	FXBQFHBQRLUOOZ-XKZIYDEJSA-N	453.007	6.598	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	214814690	BQHZHDPYXFLRND-SRZZPIQSSA-N	491.827	7.291	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223121664	WTQIYQZAAWYFIY-IZZNHLLZSA-N	488.657	5.581	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1Cl	223271507	QTZLBMMLJZXULN-GOTSBHOMSA-N	488.488	5.330	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	224207377	MMOTZNKCTAMQGV-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224405734	WMSYBGXUTREZJI-DQEYMECFSA-N	457.578	5.509	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1-c1ccccc1	225358506	QZNKMIOHPHPLKI-SXOMAYOGSA-N	468.626	6.145	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccccc1	408738115	OSLAOZMQLYQLAO-XDJHFCHBSA-N	458.344	7.725	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(C)cc2)cc1	408843174	QRDTYHJXLVCGTI-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccc(C)c(C)c2)C1=O	408873772	WWYDUQUBMLIMJO-IWIPYMOSSA-N	484.552	5.120	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1	408873880	WQGDFCIQVLKAKB-PDGQHHTCSA-N	485.298	5.378	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	408967501	STEQRVMHSDPRBJ-XNTDXEJSSA-N	461.301	5.224	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2Br)cc1	409031079	GMYHKPHGLDKFMD-JAIQZWGSSA-N	476.461	6.194	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cccc(C)c2)c1C	409039135	QOPPLBZDDNIOGT-LICLKQGHSA-N	459.418	5.904	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1	409104346	DDMZDQOQVXPVOU-LDADJPATSA-N	482.367	5.684	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C(=O)NC2=S)c(C)c1	409128718	KSMLJRURPYDZGX-OEAKJJBVSA-N	471.626	5.468	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409199378	BZRKODXDLUZQOP-QRVIBDJDSA-N	492.578	5.897	10	40	JKCB	
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1cccc(Br)c1	409201640	WYNZRWNEVISULQ-SOFYXZRVSA-N	494.233	6.099	10	40	JKCB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1	2156761	SCJYQZAFQRIIPF-ABBNRAPFSA-N	498.051	5.038	10	40	JKCB	
COc1cc(/C=C2/SC(c3ccccc3)=NC2=O)ccc1OCc1cccc(C(F)(F)F)c1	2643613	IMNAQNWOMWHTDV-HYARGMPZSA-N	469.484	6.354	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1	4149935	UJLSMINJLZJZEX-SGIRGMQISA-N	476.554	5.021	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	8763484	RCSONBWWUVJKOK-HKWRFOASSA-N	481.668	6.005	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(Cl)c1	8819679	LAADBDBYZGVMAT-UYRXBGFRSA-N	479.454	6.394	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821371	RVMOSORGLHYUTA-PQDCBLBRSA-N	476.019	5.764	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1	8821900	XALMUEIOFAVXRL-YBFXNURJSA-N	472.353	6.294	10	40	JKCB	
O=C(OCc1cc(Cl)ccc1OC(F)F)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	12555347	OIRMDJHFNMSFHC-UHFFFAOYSA-N	477.246	5.727	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c(C)c1	13893220	VQRGLDNBDDSQLG-QGNOBFDASA-N	476.602	5.427	10	40	JKCB	
Cc1csc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2CC(C)C)n1	44085829	BIAKZEDYOVZOIJ-UHFFFAOYSA-N	465.442	5.464	10	40	JKCB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21	58847140	JURJJRQSUNDZDY-GLDPYIMESA-N	465.506	5.361	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C	96193296	UPNYRXSDUDEVPB-DHDCSXOGSA-N	463.715	5.006	10	40	JKCB	
CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422931	WVSCCOHUMUYWGY-ZQTYMZRUSA-N	470.660	5.313	10	40	JKCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1Cl	113831112	WLHXRIPADKCKRB-XDHOZWIPSA-N	469.324	5.042	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1	169616511	RPQFBESSZOJUTR-YAOOYPAMSA-N	487.599	6.546	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1	208240134	WMQUDNINOCXAHO-BKQORJHRSA-N	468.022	5.202	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208316861	OQYPOYNPLTWZBN-IXOWOOARSA-N	459.590	5.390	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2C(C)=CC1(C)C	208519229	BZZPWSNJELJKSZ-HYARGMPZSA-N	473.642	5.465	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	222970566	VRZJNRIQJBSIML-BJKOFHAPSA-N	453.055	6.224	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	222988950	MFKYJCSVNCMABS-DNQXCXABSA-N	462.619	5.048	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223347462	FTPVXMKPJNTBRV-RPBOFIJWSA-N	458.587	5.263	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C	223728693	SUTYHPBSMPQUKG-VPUSJEBWSA-N	490.673	5.286	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	223858284	USYWKFUPIPPVQO-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl	225656607	KLSCPLDBZGVGIS-QGZVFWFLSA-N	460.043	5.801	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)cc1	408529582	IOYMSAYHRVRJQR-UYRXBGFRSA-N	468.650	5.754	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccc(F)cc1	408574360	LZKOXWNHMWQPEJ-KQWNVCNZSA-N	492.597	5.287	10	40	JKCB	
CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	408584821	VNVRFSLMIZDUGV-UHFFFAOYSA-N	485.993	5.149	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(C)C)c(Br)c2)SC1=S	408601868	LUPZQOCINMDTDW-YBFXNURJSA-N	478.433	5.898	10	40	JKCB	
Cc1ccc(COc2ccc([C@@H]3Nc4ccc(I)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736041	BQDUPXCMCVQCJZ-UMFSSWHCSA-N	493.388	7.005	10	40	JKCB	
C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OCc4ccc5ccccc5c4)cc3)[C@H]2C1	408737073	HMYQCALZHFLZMW-JNGVYSEMSA-N	453.585	8.399	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	408757757	QQOJMQNADUWZHL-YBFXNURJSA-N	470.316	5.510	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408766373	CSAZUIJZWTZUPD-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	408902372	NGRZJVPAOSKNRR-RGVLZGJSSA-N	499.767	6.627	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)c(C)c1	409136100	RZQJFANBWLOTSA-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OCC	409141925	OQTHNINXBHDDJI-MOSHPQCFSA-N	491.034	5.382	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1	409329723	HLBYSHFFMYGHAE-XQNSMLJCSA-N	489.622	5.176	10	40	JKCB	
COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1	3352346	RDCRXAQNHDFLOD-KPKJPENVSA-N	455.457	5.143	10	40	JKCB	
Cc1c(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C	8765928	SQRORAMQGQRBGJ-GZTJUZNOSA-N	476.410	5.197	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)c(OC)c1	8821758	UVEXVFPCPAFDRV-QRVIBDJDSA-N	480.973	6.019	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	9008558	ZIRQMJLJHFHJGX-WTPQPOPRSA-N	471.969	6.223	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1	9296602	CMVPTGGGYMEGTC-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
CN(C)c1ccc([C@H](Nc2ccccc2)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1	9424023	AIVAHGHWMAEMEN-HHHXNRCGSA-N	470.594	7.755	10	40	JKCB	
Cc1cccc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	9724538	DFWHXPVLFWRQCG-BWAHOGKJSA-N	475.635	6.244	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2)cc1	13940019	KMTDKSSOPNJUCO-JJIBRWJFSA-N	456.498	5.268	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@H](N1CCN(Cc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2	19370878	WLPNXKJYBLSZCS-AREMUKBSSA-N	464.625	6.654	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-]	41083695	KOSZVIWSANNSRZ-OWQXJLPTSA-N	498.948	5.393	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1	41108548	UKABIZOIPNWFKN-HMAPJEAMSA-N	451.544	5.819	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	58846433	RNHZLJSMYVWOSH-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)c(OC)c1	58849257	CVVMVXMKYCJCCU-VKIDHGPPSA-N	492.597	5.340	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3\SC(=S)NC3=O)c2-c2ccccc2)cc1	59399124	FNDRKCQTLIHLAU-ULJHMMPZSA-N	452.604	6.609	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCC3)C2=O)c1	102687102	VWNJJJZHDNPLMX-XQNSMLJCSA-N	475.639	6.082	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc21	208472534	KEMKSABHBFEZLS-RGVLZGJSSA-N	480.033	5.420	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C(=O)O)cc1	223099907	JNXXGOQRQAQFED-RPBOFIJWSA-N	474.630	5.493	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501176	HBSOAOUDYPCPJF-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)NC1=S	223560324	BUGPPAZNKXYDTQ-SXZORUHJSA-N	461.631	5.327	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224531408	LJCBLOPRFQAEMT-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)cc1	2992785	VPVFXJOYXMOFPW-OYKKKHCWSA-N	474.582	6.243	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(F)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1	8444269	FGZWOUFZGLBAQV-LLAXRNSASA-N	496.630	6.395	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	8819845	WXVRHSNDPNKTCQ-JWGURIENSA-N	482.671	6.021	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)c1	8821310	HPGYHLNNZDLZSS-OYKKKHCWSA-N	459.592	6.182	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8821445	MDSCVNKMBLRADM-ZXMBATIKSA-N	470.399	6.098	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	8821479	PEHGNHULBBLCCK-KGENOOAVSA-N	466.540	5.307	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(Nc4cc(C(=O)O)ccc4C)=NC3=O)c2)cc1	8821727	RBWWZBBVWCRDPJ-QRVIBDJDSA-N	458.539	5.663	10	40	JKCB	
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2Cl)cc1	9288913	CMCGNUMHIMZPBW-UHFFFAOYSA-N	460.969	5.140	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1C	9805186	VOHCWHFJZNWWKM-UZINWLIJSA-N	465.018	6.584	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	13800614	ZMLXOKUUWXXJFE-APONZMGBSA-N	495.604	6.530	10	40	JKCB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(Cl)cc1	13805209	NGSZVKITUOELLM-SVFBPWRDSA-N	489.742	5.404	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1	16678602	FOEGZALPYCMATG-UHFFFAOYSA-N	454.324	5.949	10	40	JKCB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	20477258	NXAVDHMFIQTZHQ-HAHDFKILSA-N	498.435	6.042	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1Cl)N1CCOCC1)c(O)c1ccccc12	23224625	FYLSIXQOIAVQKT-DEOSSOPVSA-N	479.960	5.852	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC	58847136	VFPADJBXKRTRTI-LZCXECNNSA-N	480.561	5.470	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847362	BQLMUWUWQNNKNA-VRUMLPLGSA-N	465.018	6.584	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1	58850169	MAPKGBLWFPOHCY-CEYNDMKZSA-N	468.981	6.415	10	40	JKCB	
COc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	59502700	LZFQULAULUTFPK-UHFFFAOYSA-N	464.546	5.597	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N(C)C)cc1	223100124	SHQQMWRWWNTODQ-KAYWLYCHSA-N	473.690	5.860	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O	223513734	GPOGGQAAANAUAM-KKJJZKEWSA-N	456.608	5.393	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223796694	KPPIWUXMEYODPT-RRPNLBNLSA-N	486.616	6.204	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc2ccccc12	223854418	BETAJUFKKBAETN-FQLXRVMXSA-N	490.632	6.525	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1	225602839	JTGBHWNKRCUEJE-SXOMAYOGSA-N	499.615	5.321	10	40	JKCB	
C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1	225838443	WQZYKBAPTIDFHK-HXUWFJFHSA-N	463.672	5.863	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	260919586	MLCGVPWERLAHCQ-CLJLJLNGSA-N	489.088	6.852	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1	408726601	MYZDARDCCDRMMS-UCQKPKSFSA-N	498.025	6.342	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)C(=O)N1c1ccccc1	408728256	YONVQYVUHNTRKV-USPLRNBBSA-N	451.507	7.202	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(Br)c2)cc1	408759246	AMCUOHUVAASQKF-SRZZPIQSSA-N	486.196	6.899	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408812714	NPYKDKGZIFITKR-FBHDLOMBSA-N	473.381	6.304	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	409343509	HEHVHYLWJJDXPI-YBFXNURJSA-N	462.379	6.668	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)cc(Cl)c1	2198893	FIBITVZWAFZCRD-CAOOACKPSA-N	485.845	6.267	10	40	JKCB	
CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccc(C)c(C)c2)N=C1C	8694351	UGZYVIBJWJSDDT-ZDLGFXPLSA-N	492.211	6.033	10	40	JKCB	
O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)ccc1O	8872206	QKLFQQTWABWKSN-XMHGGMMESA-N	494.459	5.730	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C	8872518	VMJHAFBDSIYHNB-XKZIYDEJSA-N	495.373	5.322	10	40	JKCB	
O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc(N3CCOCC3)cc2)N1	9086881	UOEKUPMTULGVEE-RUZDIDTESA-N	468.582	5.055	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	9188792	KFAMVNCZUQLQRW-QNGOZBTKSA-N	453.673	6.955	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(N4CCN(c5ccc(F)cc5)CC4)=NC3=O)c2)cc1	9189273	DDJRNWMBZJMDRE-ITYLOYPMSA-N	487.600	5.506	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	9310487	POSOJTJUSNTHTH-RQZCQDPDSA-N	498.409	5.257	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2C)cc1	9633404	XXTVIMLVUIKASJ-UHFFFAOYSA-N	456.546	5.001	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2)N3)cc1	13634547	HJKCHRZJESXTBA-PPJWLVRDSA-N	462.571	5.331	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cccc(C)c1C	33391871	VXODKLAGFKYIGK-STZFKDTASA-N	492.062	6.034	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	33760887	WBTDUFZWNHXNEQ-NYTAGIQFSA-N	477.952	5.554	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1	95959936	ZOAZBAWXSKTUFY-XLXMKANJSA-N	488.613	5.018	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208470302	WNIZBRSYNPRADU-FBHDLOMBSA-N	473.425	6.862	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223122092	XDKWMCKFIGGCHI-CLJLJLNGSA-N	488.657	5.581	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223367184	KMPRIBVWHWKMTD-RPBOFIJWSA-N	486.597	5.041	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223535134	ATQYHPBFVVFHAW-SVBPBHIXSA-N	467.642	5.619	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Cl	223536039	SVRGTOFAODJWTD-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Cl	224399701	FLSBXMWVDFAHAO-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1	260572514	WMQUDNINOCXAHO-SKCQWOFPSA-N	468.022	5.202	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)ccc1F	408737574	DWWKYZDMCJOWBQ-XMHGGMMESA-N	490.361	8.172	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Br)cc2)cc1	408843006	PXFKGNLFEIVKTB-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408903271	WTMUIDLAQCSYPV-HYARGMPZSA-N	460.364	6.803	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	408903337	RBGMTYPVXHRQSF-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O	408936059	JVBISCDFVICEIQ-UYRXBGFRSA-N	464.880	5.033	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	408986216	OSNNLTCSHCULBY-LTGZKZEYSA-N	463.408	7.311	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S	409030934	INXAJVJRQXALKT-GRSHGNNSSA-N	452.428	6.430	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OCC	409055485	YYAWDXQXDZQEDD-UNOMPAQXSA-N	492.460	5.956	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccccc1	409079509	KOOGJEUTGXWICT-ITYLOYPMSA-N	482.942	6.893	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1	409244502	DRDWMYKOLPMUFF-UUYOSTAYSA-N	463.534	5.217	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409348839	SSPMOTHLKPESEG-IWIPYMOSSA-N	484.602	6.351	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2	409365116	XHUAFCXTBYVLMG-MSXFZWOLSA-N	470.575	5.824	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1	1082488	QRDUYOFYKMZXBD-GZTJUZNOSA-N	457.269	5.769	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(Cc3cccs3)=NN12	4489478	REOWCVYRNGKKCJ-DXIKEOKKSA-N	452.948	5.523	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	8450582	DRAHEQGDDYDJAW-OIYMOPNQSA-N	457.559	5.140	10	40	JKCB	
Cc1c(C(=O)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(Cl)cc(Cl)c1	8857311	VYSXTWQTIGESLW-UHFFFAOYSA-N	476.303	5.908	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c(C)c1	9805184	CEGDFOWBTZVSHP-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2	12375064	AGLJHKDQSANDEZ-LZJOCLMNSA-N	498.423	5.755	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(C)cc1	13801465	QVQDQAPYJALTFV-QCRXEWDHSA-N	495.604	6.277	10	40	JKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12	20508922	YPOJQARDTYKVRX-JEIPZWNWSA-N	497.385	8.876	10	40	JKCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1	32111770	WEXNNARZVBGATL-VCHYOVAHSA-N	465.358	5.078	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	33155007	XPJALLXDYYBPSX-HMMYKYKNSA-N	475.386	5.995	10	40	JKCB	
Cc1cc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)ccc1Cl	33390917	SJWCAGQHWIIRMU-UNOMPAQXSA-N	468.427	5.981	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1	33590117	LITRDJKHXBVCPP-LDADJPATSA-N	453.926	5.558	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)SC(=S)N1c1ccccc1	96499252	ZIBUPZNGDUJBHX-PCLIKHOPSA-N	471.578	6.964	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(F)cc1	223496306	JPBSFVWJBDNQNG-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(=O)O	224605276	BQUXRPKHLNJVRS-DQEYMECFSA-N	484.581	5.070	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225342809	NNPFVMODZXXREF-WDYNHAJCSA-N	496.680	6.762	10	40	JKCB	
COc1ccc(C(=O)c2ccc(Cl)cc2NC(=S)NCc2ccccc2)c(OC)c1OC	226808666	KQXYUVMZBXMEQS-UHFFFAOYSA-N	470.978	5.083	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	260922612	QLZVUKYWGVHUIH-FGCOXFRFSA-N	467.038	5.294	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C	408755136	BPUPLZVQXYQDGJ-BUVRLJJBSA-N	454.961	6.410	10	40	JKCB	
CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC	408903438	XVUSMOQWAMSFCA-WJDWOHSUSA-N	497.379	5.104	10	40	JKCB	
CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409003172	RJSRPMVTTSIAML-VXDLECSYSA-N	464.591	5.742	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409061012	BLBPQPDGZOXGEP-UCQKPKSFSA-N	467.009	6.061	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O	409131283	NDIMVFWSOPDFLK-GNFOSXPUSA-N	458.583	5.465	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(C[C@@H]3SC(=S)N(Cc4ccc(OC)cc4)C3=O)c2c1	409162390	VBSQOGLSRRBWBT-DEOSSOPVSA-N	481.639	5.617	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	409183202	QLVARXSFOMEWIV-QVIHXGFCSA-N	496.523	7.226	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)SC1=S	409342523	FNTGGCFJCZPYLS-ZDLGFXPLSA-N	498.504	6.026	10	40	JKCB	
CC(C)C[C@@H](C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O	1782188	HBDBGQMJGQFEMC-LBNVMWSVSA-N	492.575	5.462	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	2707320	FRXLACFOIRXZIX-UNOMPAQXSA-N	456.386	6.423	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	3768704	FLOWXAGZZXBTMQ-KZKLBEMASA-N	478.433	6.041	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=S	8461771	URSPHIJEMUNISG-XMHGGMMESA-N	494.956	5.252	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	8493279	KPXVNOHDQQVCKF-HFUGBDTNSA-N	499.404	6.405	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	8494810	BBEXLIJCTJTCPI-JWRAQDAWSA-N	498.992	5.062	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Cl)C2=O)cc1	8819759	BXBHHTJLMFKGEE-HKWRFOASSA-N	459.036	6.049	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc([C@H](C)CC)cc3)C2=O)cc1	8830154	ATOKWDIIQZKAIK-CTDSJEBPSA-N	485.584	5.309	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	9210530	OIZVCLDBSPQTBX-GDGNHNJGSA-N	478.430	5.731	10	40	JKCB	
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(N(C)C)cc2)cc1	9288557	YPAYHPXJJRRIFJ-RUZDIDTESA-N	453.546	5.039	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOCCOc1ccc(C)cc1	9660011	DPQIVAJEDPNTLW-LGUFXXKBSA-N	486.568	5.284	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3Cc3cccc4ccccc34)C(=O)N=C2O)cc1Cl	16038627	XFGFRZCWEVXMNT-HYARGMPZSA-N	485.927	5.222	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	33930924	MBZBSKUCHKWDIW-HGMBWOCJSA-N	453.571	5.378	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	34795181	FLBRPQLYTFHXPB-RJSNONLSSA-N	459.497	5.388	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	35058794	YYKDRHVXQSFPEX-UUYOSTAYSA-N	478.526	5.265	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2	58846489	ZXAQEZLPLUFHLY-BOCWGRARSA-N	488.653	6.718	10	40	JKCB	
CCn1c(Cl)nc2cc(C(=O)N(CCOC)Cc3cc(C)n(-c4ccccc4)c3C)ccc21	222556777	SGXHDOWVDGWMON-UHFFFAOYSA-N	464.997	5.406	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	224567287	KYJUILKOGBTGQG-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224601222	ICXMJMCSUWMUQS-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
CC(C)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1Br	408600175	ACBGJHUMDJPILM-CXUHLZMHSA-N	497.461	5.092	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)c(OC)c1	408755612	OWFLLWMQDHSHJX-HYARGMPZSA-N	477.358	5.609	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408761073	HHPDWIIRNAIMDF-XQNSMLJCSA-N	499.422	8.196	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Br)c1	408840323	DLIPXTCZPSAQQW-XSFVSMFZSA-N	462.303	5.500	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1	408866461	GLNMNNYEPGKYFI-XSFVSMFZSA-N	495.760	5.360	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	408868593	PJBFWEHYIUBAPR-JCMHNJIXSA-N	460.917	5.148	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Cl	408875077	CQQCALNUAGSCQD-YBFXNURJSA-N	481.335	5.259	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)SC(=S)N1c1ccccc1	408902468	ODMNHPXKTXEZCO-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1Cl	408985531	KWZTUSVGJBFJID-MTJSOVHGSA-N	464.880	5.033	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1	408999506	LKVVNSPLNZUATF-PCLIKHOPSA-N	495.604	5.228	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1OCC	409024805	XBPJYCXHKILMGH-MOSHPQCFSA-N	489.490	5.770	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)cc1	409030231	COQBHDUITZBSHG-DHDCSXOGSA-N	460.358	5.651	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1Cl	409247197	CJUGNDGNTBPFLI-KGENOOAVSA-N	476.001	5.233	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O	409343712	GBJJOEMGOXMZQE-XYGWBWBKSA-N	455.604	7.186	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)c1	409347856	NCGZFZDENLBSPZ-MFKUBSTISA-N	472.610	6.851	10	40	JKCB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	409409054	MHVJGFFENSTSRH-KOTFUQRNSA-N	479.319	5.074	10	40	JKCB	
S=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2cccc3ccccc23)CC1	2690685	QPZWLTJWAMMAGW-UHFFFAOYSA-N	467.421	6.904	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S	2696828	UCYSFSSVEOVMLE-OSVNEOKWSA-N	465.644	6.550	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8763336	WXXKUXBYPDFMKT-ZHZULCJRSA-N	476.019	5.765	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S	8821389	SQGRWIHZRQFUDJ-IWIPYMOSSA-N	496.053	6.896	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1	9477636	UDCGTJBSRPVNNA-XIAMHYJPSA-N	491.591	6.178	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1	13894552	LCSLBTCHISDRCB-QGNOBFDASA-N	476.602	5.427	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	16675844	UOTLQWWENXVTCJ-PXLXIMEGSA-N	484.408	6.046	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(Cl)c2)cc1	20289051	OHRUDSLVLUYNAS-HMAPJEAMSA-N	470.331	6.278	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccco2)C(c2ccccc2)=NN1c1ccccc1	27016866	NFGVHKSQGVBMJA-PLRJNAJWSA-N	456.505	5.967	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1C	33676691	ZIHSROMKWWMQMX-FISJVANTSA-N	467.598	5.573	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	36593085	KTBYPKQRDXEMAA-DTNFBPRUSA-N	498.568	5.173	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl	59959342	CFKJTKXYXPXALK-DHDCSXOGSA-N	467.146	5.633	10	40	JKCB	
O=C1/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC(=S)N1Cc1ccccc1	98086346	BHWGJBZFEWPTIQ-IDEODVPUSA-N	481.602	7.362	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	118914478	RUPJLEKJZUBHKS-WNHRCQDRSA-N	481.771	8.066	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(F)c1	223535654	SHWPSCRREMLVPN-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223540466	OAFGDUDTGMEJDS-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223767905	PWQUKSAFVSPRRD-LOSJGSFVSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012064	INBUMDKIROLIBI-SXOMAYOGSA-N	482.609	5.703	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224606831	RPLBPHZEYIHOSO-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1	225015736	SFFCYIJWULSSTH-ZEQRLZLVSA-N	451.039	6.058	10	40	JKCB	
O=C(Oc1ccc(I)cc1)c1ccc2nc3ccc4ccccc4c3nc2c1	408721656	KLUXQTUULNPILY-UHFFFAOYSA-N	476.273	5.760	10	40	JKCB	
Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(Br)cc1	408734503	HCUMWVWXXKOQPV-UHFFFAOYSA-N	454.393	6.113	10	40	JKCB	
C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc(OCc4cccc5ccccc45)cc3)[C@H]2C1	408736649	YSPNDLPOXNQFOR-RASJINCSSA-N	495.622	9.038	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)cc1	408779739	JJCZELFLRRYYRE-MFKUBSTISA-N	463.537	5.281	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408905000	RSMBBOUJZIPERE-KOEQRZSOSA-N	452.941	6.878	10	40	JKCB	
CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O	409093721	ASBSCSWXHMJHFX-HZHRSRAPSA-N	492.597	6.271	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	409160910	XWWJYYYLFBIJJM-MVERNJQCSA-N	462.456	7.876	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC	409351093	ZISRHHSKSSRQJJ-MTJSOVHGSA-N	457.573	5.399	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2C(F)(F)F)cc1	8695496	BSQPANPUPZHEJK-SFQUDFHCSA-N	474.464	5.124	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3Cl)C2=O)cc1	9428129	MAKIVDPWOJGXTG-WPGBELRESA-N	461.949	5.370	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N1c1ccc(Cl)cc1	20238526	USTUYXXYVXNMBF-ZHZULCJRSA-N	474.925	6.744	10	40	JKCB	
C/C(NCCC(c1ccccc1)c1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	20288010	UONCFMXIIJYWEF-KRUMMXJUSA-N	471.604	6.523	10	40	JKCB	
COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@@]4(C(=O)N(c5ccccc5)N=C4C)[C@H]3C2)cc1	36056318	HPOGXLKBIXABFL-IAPPQJPRSA-N	487.003	5.009	10	40	JKCB	biogenic
CSc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1[N+](=O)[O-]	58146302	GKWZQZXDGQSRME-UHFFFAOYSA-N	452.532	5.381	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1	58846716	OQNIEQULHSRYFN-IWVFXYMLSA-N	488.653	6.718	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	59435727	VJBNIBHKBUZWDV-AUWJEWJLSA-N	457.140	6.177	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccc(Cl)c(Cl)c1	59639464	YTSOEKSLKZNUDT-JAIQZWGSSA-N	485.342	6.526	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Br)cc1	59959290	STJUSUNTICJBBB-YVLHZVERSA-N	477.152	5.089	10	40	JKCB	
Brc1cccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)c1	70453976	OJNMCGMKSWPZOP-UHFFFAOYSA-N	467.370	6.991	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	223387182	TZOMUWYYHMPWFE-IZZNHLLZSA-N	482.609	5.360	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	224170733	CKRSPAAOVMVJKK-UIOOFZCWSA-N	468.582	5.395	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224237166	OWFCXQZCORVUQW-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
CCCCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408531256	LMPHEQKSSHMSPL-UHFFFAOYSA-N	474.944	6.102	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(Cl)c(Cl)c1	408634773	UINSSQMEJBDFJB-JMIUGGIZSA-N	459.354	6.760	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)cc1	408741976	MFKVFUSQEXSWKB-DEDYPNTBSA-N	459.454	5.172	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)ccc1OCc1cccc(Cl)c1	408833901	WPDZONULBVCBKE-IWHLBADBSA-N	489.999	7.151	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc(F)c2)ccc2ccccc12	408887838	UHJTYNIIASQGHM-JLPGSUDCSA-N	482.536	5.389	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)c1	409017095	WKGDATYPFJOZFW-WGOQTCKBSA-N	479.605	5.695	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	409026502	QWHTXRXDANUELK-LSCVHKIXSA-N	499.803	5.731	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cn(Cc2cccc(C)c2)c2ccccc12	409031571	HLTMKPCVBAJGQS-YBFXNURJSA-N	495.451	6.500	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409147008	MAJXOORGYSWBIX-LFVJCYFKSA-N	450.648	7.008	10	40	JKCB	
O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409327091	HTUYPOXPDBMJHA-WOJGMQOQSA-N	476.366	6.098	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)cc1	1795123	RCRDKFOMDXFYBT-MTJSOVHGSA-N	462.036	6.175	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)SC(=S)N1c1ccccc1Cl	2534525	HETWEABRSWPFPD-MOSHPQCFSA-N	485.011	6.805	10	40	JKCB	
Cc1ccc(-c2c3c4n(c(-c5ccccc5)nn4c2C(=S)c2cc(C)ccc2C)CCCC3)cc1	3219633	ZMCNVDBSXJZBMH-UHFFFAOYSA-N	475.661	7.498	10	40	JKCB	
CN(C)c1ccc(/C=C\c2cc(/C=C\c3ccc(N(C)C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	4830626	UBMDHWQGZWPJDD-CBIKUMSCSA-N	458.518	5.976	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3c(C)n(CCOc4ccc(C)cc4C)c4ccccc34)C(=O)N=C2S1	8408011	HJFJQOHIEMKESN-WZOBNIDESA-N	499.640	6.065	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3)C2=O)cc1OC	8819918	KCGJHYXZZNYKJJ-JWGURIENSA-N	484.643	5.413	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3c(ccc4ccccc34)N12	9090044	YQABZEKEFAZJFG-SSBOKUKZSA-N	469.540	5.862	10	40	JKCB	
COc1ccc(C)cc1NC(=O)c1cc2ccccc2c(CN2CCC[C@@H]2c2cccs2)c1O	13061504	HNEZKVXFRRCPBN-XMMPIXPASA-N	472.610	6.513	10	40	JKCB	
Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1-c1ccc2c(c1)OCCO2	13523427	YWHWANDGSLDHDJ-UHFFFAOYSA-N	495.604	6.179	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1	16292755	YKKRZSJIPGBNGW-UHFFFAOYSA-N	455.583	5.118	10	40	JKCB	
CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc2ccccc2c1)c1ccc2ccccc2c1O	19144523	LIGJTOORBLXUCK-HHHXNRCGSA-N	463.514	7.852	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1	33860549	BUGRYEKJYZFBTN-STZFKDTASA-N	465.372	6.111	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	34721782	VRRXBAPYLBVOBZ-SUJAKXCHSA-N	483.641	6.837	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1	58846511	PNNNEPXUBZDNET-JPYHZWLXSA-N	458.627	6.548	10	40	JKCB	
O=C(CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N/c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl	102920791	FKVLWOJNRCWKPA-IFQZSBTPSA-N	494.338	5.248	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1	144211892	PPTKGJVDXPAMIB-NDENLUEZSA-N	453.361	6.098	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)cc1	208472152	SHOVGZNAGSYAOS-UDWIEESQSA-N	463.965	5.201	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223534310	LSNLJCBCGRXKQS-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccn1	224457430	UCVPULFLLPGUIW-ZEQRLZLVSA-N	460.006	5.715	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1	408755703	MGQLNOYWOLLNAJ-LTGZKZEYSA-N	458.970	6.788	10	40	JKCB	
COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1	408759355	CPFVFVYNXLWGTG-UYRXBGFRSA-N	480.347	6.260	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	408817287	LDECMZXKJHUFDG-GIJQJNRQSA-N	488.371	5.371	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c(Br)cc1O	409328610	YRKFTAMIMRLASC-VXLYETTFSA-N	472.385	5.722	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12	1747749	ALGQGMJUWTZGSX-CYBMUJFWSA-N	451.872	6.212	10	40	JKCB	biogenic
Cc1cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(C)n1-c1ccc2c(c1)OCO2	2634575	HWPIEAFOAOYCQS-UHFFFAOYSA-N	479.960	5.714	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12	4481288	HPQATXRSSPLXIC-BWFWVIOXSA-N	465.947	5.147	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	8617970	PGZITTUQJORWEX-MOSHPQCFSA-N	492.915	5.670	10	40	JKCB	
C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	8684864	SHTMSUXQCFNLKV-CQSZACIVSA-N	492.626	5.177	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1	9428550	KVAUWOVLMGKEGA-RMENWYJGSA-N	483.351	6.433	10	40	JKCB	
CCOc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1	12223357	KZYJVNYYASMIPJ-AQTBWJFISA-N	491.432	5.078	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1	13894528	XMIKDXSTKHISCF-IPEMGORNSA-N	492.601	5.352	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(C)c2O)N3)C1	15946087	HDXOSNRDHDCQMA-CWTRNNRKSA-N	463.441	6.495	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC(=S)N1Cc1ccccc1	17186269	WXFUIYQMUQFSDH-YBFXNURJSA-N	479.932	7.020	10	40	JKCB	
O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl	28628998	WNLPERPBFBQCMF-XGICHPGQSA-N	483.846	6.001	10	40	JKCB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3cc(Cl)ccc3C)=NC2=O)cc1OC	33614752	TZYRIJWBTRGMSW-XTBHVRTMSA-N	465.402	6.570	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	34688259	RBUJSBLSVOFQJO-ITYLOYPMSA-N	495.648	6.434	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1	41077627	IESUQNYVDPECQA-PDGQHHTCSA-N	484.426	5.681	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(I)c1OC	113831199	KAVZFSVAKSEVPF-LFIBNONCSA-N	497.379	5.104	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223098913	MBVJZJVNVVUMIM-FTJBHMTQSA-N	460.647	5.803	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313105	CHLXRZPYEXQHPC-PMWMKWCKSA-N	460.647	5.257	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223419439	SBHLUDRLJXTBAN-NSOVKSMOSA-N	482.653	5.979	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1F	223535335	HICAQZSTUSYCSA-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436601	ZFDVEYZOBMKXHV-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1	225503795	KISLUCUHDJQBNE-NSOVKSMOSA-N	495.652	5.409	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	260927634	ZIDCAKUADNDIJK-FTJBHMTQSA-N	454.643	5.886	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)c2C)cc1	408809192	KQSBFCYWKWKDPV-DIHMQARBSA-N	484.689	7.457	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1	408859962	WEZBDRMJWHWUMW-GHRIWEEISA-N	469.349	5.617	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)cc1	408865776	FMJHJSLIPPLUFL-XDHOZWIPSA-N	469.299	5.390	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)c1	408872527	FUQGYSZOOWUUQK-DEDYPNTBSA-N	479.363	5.867	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	408901480	FTWIZOFDEHAJGA-YBFXNURJSA-N	455.316	6.518	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1cccc(C(=O)O)c1	408972303	QXDGBJCMPBVOOW-MOSHPQCFSA-N	496.441	5.321	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1	409052503	ICQKTCRKHGYNPI-JAIQZWGSSA-N	460.407	6.963	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)ccc1Cl	409209638	CZISBKVVSKIAMW-NDENLUEZSA-N	487.961	6.322	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1	409342322	DFTXCLCNXJRYCY-VXLYETTFSA-N	490.389	6.666	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409349963	WSLQFJWKSLIVGC-YBFXNURJSA-N	493.879	6.417	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1C	409377594	JENATHMMJGMYSH-MYYYXRDXSA-N	499.636	5.332	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)c(Cl)cc12	524729148	GCTLTJXIRFPHAV-UMLWDEEUSA-N	497.079	5.890	10	40	JKCB	biogenic
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc2c1oc(=O)c1ccccc12	1614472785	JBZWXYXSJXSYML-LKSLQULUSA-N	470.613	5.355	10	40	JKCB	biogenic
COc1ccc(C=C2C(=O)N(c3ccccc3C)C(=S)N(c3ccccc3C)C2=O)cc1OC	1406455	NQPRHWUJQYUXIO-UHFFFAOYSA-N	472.566	5.069	10	40	JKCB	
Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)n2c2ccccc12	2106686	SNJOAJRURQZORP-UHFFFAOYSA-N	478.980	6.366	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1F	2161721	NEBHMLUPFFAXHJ-MTJSOVHGSA-N	485.378	6.232	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCC(C)C)nc12	2254412	WZUBMXFXNDSMQD-VJOZSWGJSA-N	478.643	5.033	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1	2307237	QFWGHDKXRGBVGR-GZTJUZNOSA-N	451.400	5.614	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1	2323456	GXTBAJKGVVLCQU-XLNRJJMWSA-N	466.672	5.804	10	40	JKCB	
Cc1cccc(C)c1N1CC(=O)N(c2ccc(Br)cc2)[C@@H](c2ccc(N(C)C)cc2)C1=O	9129753	XSOIXZGXTMGJER-VWLOTQADSA-N	492.417	5.253	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	9477499	SDISEBFVSXTXDU-OYJNRBEISA-N	459.521	5.413	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1ccccc1	9553712	JFOHPMHOUOMZHU-MOHJPFBDSA-N	477.607	5.949	10	40	JKCB	
COc1ccc(OCCOc2ccc(C)cc2)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	9805433	XHWCNDPYFADRTI-ULJHMMPZSA-N	477.607	5.867	10	40	JKCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12	12609625	SJNMMNXINMZCKG-UHFFFAOYSA-N	466.607	5.314	10	40	JKCB	
CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)c1	13942334	FBRRWWQBDOBQFM-MOSHPQCFSA-N	492.460	5.609	10	40	JKCB	
Cc1ccc2nc(S[C@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)[nH]c2c1	14357279	DOJCJBNHBFNYCE-MRXNPFEDSA-N	455.530	6.244	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16007501	SOUDAMGPZWSNBN-HJOGWXRNSA-N	485.967	5.982	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N[C@H](C)c3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	16735101	DYUREOUUIGOPPL-ARHDRIAESA-N	478.643	5.176	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)c(C)c1	26965840	UHDWKROYHWNRPO-NVQSTNCTSA-N	476.045	9.137	10	40	JKCB	
O=C1N=C(O)/C(=C/c2c(O)ccc3ccccc23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59105194	ZLTSIOLSONIZQQ-WGARJPEWSA-N	492.575	6.520	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223428709	ILBOTKXKTSPGJZ-KAYWLYCHSA-N	483.641	5.374	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(F)c1	223459923	RRJGFMULEYTVTM-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	223762463	VCWYBVYDCNVIOC-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223894061	IJPUMUSREMOKQU-WUFINQPMSA-N	481.669	6.041	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C(/Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)c2C)c1	408634058	OHRXVXFONKDBRI-FYJGNVAPSA-N	465.962	6.324	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1	408874499	CQOSQZKYTCPLNK-PCLIKHOPSA-N	468.553	5.132	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC)c(Br)c3)C=C2c2ccccc2)c1	408983370	BIZWJPAQNDBMQQ-RCCKNPSSSA-N	490.397	6.718	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	409048772	PBAONSYDCHNWHN-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Br)cc1	409064685	DMSDVEAHBDPKCY-UNOMPAQXSA-N	461.356	5.425	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c(OC)c1	409072555	CQPJVQUDGZARFU-DEDYPNTBSA-N	494.956	5.175	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1C	409093643	AXMVDTYMUIPLNT-KGENOOAVSA-N	479.026	5.939	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)N(C)C1=S	409125632	DLDPBRYPFQGAGR-BKUYFWCQSA-N	468.420	5.430	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409188904	CBGKRFYWHIBCKE-SRZZPIQSSA-N	483.933	5.905	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N(c2ccccc2)C1=S	642032	MLODVTWNRRFJEB-PGMHBOJBSA-N	483.515	5.450	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccc(Cl)cc1Cl	4177369	RAWXSUYBNOVUJV-UDWIEESQSA-N	492.449	6.747	10	40	JKCB	
COc1ccc(/C=C\c2nc(Nc3ccc(O)c(CN4CCCCC4)c3)c3ccccc3n2)cc1	5390436	VVTQPPMPBTXOAA-WJDWOHSUSA-N	466.585	6.244	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	9293286	SNMIGBVQQMYHFL-OILBOLJZSA-N	499.596	5.087	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)c1	9355104	MOWMIAAFXONULD-VEILYXNESA-N	489.575	6.044	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1ccc2c(c1)OCO2	13112369	MKBSPXRTZZKSFN-UHFFFAOYSA-N	462.487	5.107	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	16293238	NGDCVBRKDCVFFH-HAHDFKILSA-N	480.977	5.168	10	40	JKCB	
CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	22419197	ZQPWAACKRIEMAT-SANMLTNESA-N	458.606	5.072	10	40	JKCB	
Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CC(C)C)C1=O	27018325	GLKKMLJDHJJCSA-OYKKKHCWSA-N	475.683	6.828	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1	30828545	LGWCNXXSZOJPOY-VZKFJVGXSA-N	455.495	5.037	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1	58849531	AOZRXKGTQHYFQL-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	222952571	SYHZFGZKJMLBGV-PKTZIBPZSA-N	455.071	6.139	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232241	ADJBYELZMOKFJC-RPBOFIJWSA-N	482.097	5.375	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223728103	LMKKECZNNPSMBS-JWQCQUIFSA-N	497.064	5.377	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccn1	224360207	RWCHJOVMVSMOBZ-KAYWLYCHSA-N	467.642	6.185	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1	224399401	IXTQNJZATTWEIJ-DQEYMECFSA-N	460.553	5.944	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224568851	BNBFFWKNYNAXPE-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1	225042948	UUYWSSYFMZQTPY-WDYNHAJCSA-N	495.696	6.272	10	40	JKCB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)O)o2)c1	408634196	RYKZUVHDGJROFV-QRVIBDJDSA-N	491.569	5.688	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(=O)CC	408699860	ZTRUBZILZWWNGQ-UHFFFAOYSA-N	486.977	5.119	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1cccc(C)c1	408804462	ACYTZKHSGNKZHA-DEDYPNTBSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2cccc(Br)c2)cc1	408845241	VJQSDEPCNFIXTR-DEDYPNTBSA-N	462.303	5.500	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409014227	HCPGXWVOCCWMKJ-JCMHNJIXSA-N	494.513	6.299	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409014871	QMJOUCHCHAILHJ-QQXSKIMKSA-N	468.597	6.205	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1	409235650	CQKMROZTDUNWNN-MFKUBSTISA-N	471.626	5.666	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	409247231	GYTYUBAEYJQUIT-MTDXEUNCSA-N	477.564	5.766	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1	1772035	VYKXYYHVBXWNTC-UNOMPAQXSA-N	481.624	5.049	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	8442743	ZNMOATMWDRHHSI-QOMWVZHYSA-N	469.541	6.388	10	40	JKCB	
CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O	8920855	NRJMLNGSGVPUQR-BIBXISHDSA-N	483.461	7.129	10	40	JKCB	
Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c(C)c1	12223358	JLTKOIBBAQJUEE-PDGQHHTCSA-N	475.433	5.296	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)n1-c1ccc(F)cc1	13141853	QEFKTQXFGVPRBC-UHFFFAOYSA-N	483.572	5.851	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	13689525	AODAHHZPIIFZNT-AKGOGDBKSA-N	496.394	6.023	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)ccc1OC(=O)c1ccco1	13881243	FDMHJGOXYAPBSM-HMAPJEAMSA-N	479.579	5.920	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc12	20191090	XNEPYFMRDXEILI-YZSQISJMSA-N	497.392	6.987	10	40	JKCB	
COc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1Cn1nc(C)c(Br)c1C	20294345	UYPCBNSQLJXMOU-UDWIEESQSA-N	497.418	5.402	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1cccc(C)c1	26712451	AWZXKVNRAGGDGV-PDGQHHTCSA-N	494.432	5.055	10	40	JKCB	
O=C1/C(=C/c2cc(Br)cc(Cl)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1	33712599	KVPJHVNZGACKPY-MLPAPPSSSA-N	471.741	5.122	10	40	JKCB	
O=C1C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	59679657	KGRWXXUTNLDQJA-UHFFFAOYSA-N	483.980	5.879	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)c(C)c1	113832394	NNTZFDYMYHTZSC-YDZHTSKRSA-N	484.017	7.081	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208254891	YYAGTCZVLZBLHU-VBHHZLGVSA-N	455.023	6.607	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O	215209835	RBPZMSUBEASZCK-UFFVCSGVSA-N	456.951	5.214	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1C	223464766	RWZFEWXUNBSNAA-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271815	DESHPYIOHNJMJZ-URLMMPGGSA-N	480.681	6.900	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020640	KUIBZQIAJYCNCR-VPUSJEBWSA-N	458.675	6.275	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c1C	408631996	CHAOEBYASIWJGA-BKUYFWCQSA-N	479.005	6.367	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2ccc(C)cc2)c1	408814343	VJGRHJPIAOFWIN-WSDLNYQXSA-N	490.943	5.211	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1	408869707	TXDOFXAOJSEXIB-DEDYPNTBSA-N	451.309	5.251	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2ccccc2Cl)C1=O	408876226	KCNLJUPFUVOZGF-XMHGGMMESA-N	465.336	5.559	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	408945061	VSTPTERPNAPWTA-KOEQRZSOSA-N	452.941	6.878	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21	409165427	YCYYUPWDNJJRIK-YPCDYVTLSA-N	462.456	7.876	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccccc1Cl	409237841	JDFJBHJJNLKNSS-FOWTUZBSSA-N	470.381	5.232	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)cc1	409249285	NCVFXLCNQOJPPE-DEDYPNTBSA-N	495.398	5.664	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	409326652	DAZZREHBIWCTGL-XYGWBWBKSA-N	498.585	6.733	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)c1	409339860	LVBAHYNITBHVOV-CIAFOILYSA-N	480.636	5.920	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1	409341930	CUDUSRQWOFLWPK-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
COc1ccccc1N1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O	1242194	ABXNGQDKIIXPGT-RCCKNPSSSA-N	451.482	5.205	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12	1853025	OWYYZKFEXIFUGT-FZAWDKCWSA-N	489.538	5.365	10	40	JKCB	
CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2	2104248	KNIFWUAYIPCTIA-RUZDIDTESA-N	477.634	5.721	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC(C)C	8443611	TUTJEHXRHSYESC-WQRHYEAKSA-N	490.341	5.283	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N/c2cccc(/C=C\c3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	13403822	RRVMYYAEPMQLSF-AESZAJRRSA-N	470.510	6.254	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14414577	MPXFKWVCVKYROY-KQWNVCNZSA-N	490.353	6.119	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2)cc1	20288936	XKPLTRHVSDNHSJ-JCMHNJIXSA-N	474.973	6.095	10	40	JKCB	
CCC(=O)N[C@H](Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1)C(Cl)(Cl)Cl	27025804	JTTAEZZBLLEBEG-DILWRCETSA-N	480.779	5.094	10	40	JKCB	
C/C(Nc1ccccc1-c1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100094354	ITCXOVNITXGFER-RCCKNPSSSA-N	478.499	6.614	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(Cl)c3)C(=N)N12	102469366	PCUAKNPCZZGYMU-RRIATBADSA-N	478.788	6.393	10	40	JKCB	
COc1cccc(Oc2ccc(N/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)c1	105995576	LVCXHAUTYIAPOF-UYRXBGFRSA-N	497.935	5.024	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	113834044	RYAJOXUYKRNYEY-WSDLNYQXSA-N	496.541	5.727	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O	208702894	UUWHKEYETMJMSP-NVNXTCNLSA-N	499.249	5.934	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391244	UCVGFMDRXARZOE-RRPNLBNLSA-N	496.636	5.668	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1C	223560925	BXQJJKAHYQNIIR-IXOWOOARSA-N	475.658	5.635	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223585229	PCZLDEKVMDOYPO-ICODJCHTSA-N	452.595	6.483	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223894010	IJPUMUSREMOKQU-IZLXSDGUSA-N	481.669	6.041	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224897860	YBKJVXNLVXVPLC-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21	260924329	ULULHAMZQUVHQL-DQEYMECFSA-N	475.061	6.544	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccccc1	408742285	ODYXSPUMCYGLNX-DEDYPNTBSA-N	463.327	6.018	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1C	408869991	UJCQUPJNMMBTTD-QRVIBDJDSA-N	477.561	5.525	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl	408872483	FHAADXWTKQYIGP-XSFVSMFZSA-N	495.760	5.360	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408882737	SAAGQCZEQQFZKG-MOSHPQCFSA-N	478.907	5.341	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1	408884590	YLHAHWCXSICRKP-MTJSOVHGSA-N	466.946	5.682	10	40	JKCB	
COc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21	409131969	ZJVREGBMYVSMJZ-IWIPYMOSSA-N	480.655	5.976	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21	409134484	UCLGBRHNMSDGIE-VYZAVGSRSA-N	479.627	5.037	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(C[C@H]3SC(=S)N(CCc4ccccc4)C3=O)c2c1	409146902	VLOBCABLBKDTMM-XMMPIXPASA-N	465.640	5.651	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1	409230137	BVEXTVLDMBQVSD-PXLXIMEGSA-N	488.565	5.078	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1	409246753	DECDQUWERSRWPS-UUYOSTAYSA-N	495.988	5.431	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1I	409344518	JOFJLUQMWOJJAA-SXGWCWSVSA-N	499.420	5.428	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1	1172011	QUWKEUNFUSNIRK-MTJSOVHGSA-N	483.952	5.562	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S	2325652	CNELWORXUSLMCX-IWIPYMOSSA-N	491.682	6.494	10	40	JKCB	
O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=S)N1Cc1ccccc1	2711453	LBXJVOKZDSNETB-UNOMPAQXSA-N	456.386	6.746	10	40	JKCB	
Cn1c(=O)c(C(=O)c2ccccc2)c2c3c(c(Nc4ccccc4)ccc31)C(=O)c1ccccc1-2	3205024	XAIIWJHAJCLAOO-UHFFFAOYSA-N	456.501	5.725	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1	8834037	HMGNTCZMHDYTOT-HYARGMPZSA-N	473.579	5.542	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1	8997475	GPPLQPDVCXWMQT-IWIPYMOSSA-N	465.509	5.513	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3c(ccc4ccccc34)N12	9090047	YQABZEKEFAZJFG-NLDZOOGBSA-N	469.540	5.862	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1Cl	9188620	PYCMHAPVTZWLAM-XKZIYDEJSA-N	452.000	6.633	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccc(OCc2ccccc2)cc1	9189262	WYKWAFQIQFBWAB-BWAHOGKJSA-N	473.573	5.197	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1	9232372	RLEGCVUMKGQFIP-OEAKJJBVSA-N	482.026	6.642	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1	9294946	LZGDBVOGEDYLTK-CIAFOILYSA-N	493.522	5.697	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1	12285460	ZZSATPJYVSNROI-QGNOBFDASA-N	476.602	5.427	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1	13942658	OMXGGJKOKFVKCT-TUZMOLJKSA-N	462.575	5.262	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4Cl)C3=O)c2C)c1	14010159	ZVIJNZPKLPXQSZ-UCQKPKSFSA-N	477.948	5.017	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1Cl	14165937	IZFIAWXOALSODO-CZSZKKDXSA-N	450.991	6.276	10	40	JKCB	
O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl	28629003	YZKSVZHWUKGBNT-XGICHPGQSA-N	481.855	5.584	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(CC)CC)SC4=NC3=O)o2)cc1	31942753	GGDOZBFPDSSFAE-IVTJCWFQSA-N	464.547	5.179	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2Cl)c1	33675827	DTYMEJANIASFMW-HMAPJEAMSA-N	477.973	5.748	10	40	JKCB	
CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	33718117	CGNIDTVANNCDPV-QVIHXGFCSA-N	499.600	5.374	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	33932998	AICHSUSNKDPPIL-ZANWJZCZSA-N	499.562	6.312	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	101656416	CVECWVFHIQRRNU-YDZHTSKRSA-N	460.364	6.803	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)cc1	108216458	GFIPLPPEPJHHBF-PCLIKHOPSA-N	479.605	5.392	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223383174	PZPJOQIMBTXXCT-WUFINQPMSA-N	466.654	6.224	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21	223519241	GBUOKZNGQMQSSC-CFRMEGHHSA-N	464.606	6.781	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc2ccccc12	223854475	BETAJUFKKBAETN-WDYNHAJCSA-N	490.632	6.525	10	40	JKCB	
COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	408577593	TWWGSRVLPNJWOE-UCQKPKSFSA-N	490.606	5.114	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408796709	YXCHMYWRAYRNCG-XHPQRKPJSA-N	483.564	5.932	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2Cl)cc1	408849087	YPSKQTXNDAJSLI-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2Cl)C1=O	408881253	IOOCKJQAAAHHKA-CPNJWEJPSA-N	499.781	6.212	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1	408895804	FRSZJXYKNIVXSB-KQWNVCNZSA-N	490.943	5.374	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1F	408900258	UNJSDTWFXMDIJQ-YBFXNURJSA-N	494.906	5.042	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(F)cc1	408939558	NBAXZOAEJJOXHV-CIAFOILYSA-N	478.907	5.509	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccccc1	408972071	PRBBMCVJEWFRCU-ZHZULCJRSA-N	467.403	5.522	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCc2ccccc2Cl)=N1	408987220	FDULNLLYBYZGPU-RUZDIDTESA-N	491.060	6.252	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1	409039076	QIFUDYCSWGXUDC-YVLHZVERSA-N	476.376	5.906	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1	409053076	JYQBVMRWBYPWSB-JJFYIABZSA-N	487.477	7.111	10	40	JKCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21	409123990	IONVTJYBUYIHOX-JYBCESJWSA-N	475.639	5.448	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1	409135256	XUXQOGXERAPVJA-BKUYFWCQSA-N	466.921	5.458	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O	409243882	YNQNEDRHKAQFMJ-MFKUBSTISA-N	484.600	5.113	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)cc1	409340162	RKRPXQTXKBRNSE-CFRMEGHHSA-N	493.028	7.196	10	40	JKCB	
O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(C(F)(F)F)c1	409340534	YTBRPBQQDYVSNK-UNOMPAQXSA-N	489.500	5.869	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)Nc1ccccc1	409342359	BUJAVKCSRWZBDA-HYARGMPZSA-N	494.569	5.258	10	40	JKCB	
CC(C)N(Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc12)C(C)C	1747693	GEMKGDOGNUXKMI-UHFFFAOYSA-N	488.333	7.110	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	8819908	FVLKWZAHGGNWPD-NKFKGCMQSA-N	482.671	5.506	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)cc1	8951858	WZPYPDJZBMHDCN-XYGWBWBKSA-N	482.923	5.739	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	9066540	ZYVWDKLFFDHHMJ-IOPUFQEFSA-N	471.586	5.448	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	9290718	VCFWWRVFVGRKJX-KWXIBIRDSA-N	489.502	5.735	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	27828636	MWVXALORSREPGV-KUYAPCGNSA-N	476.901	5.812	10	40	JKCB	
COc1cccc(OCCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	33430284	IOYGVRCOKWHSBM-UQQQWYQISA-N	491.634	5.945	10	40	JKCB	
O=C1/C(=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)SC(=S)N1c1cccc2ccccc12	34878441	KZOWHNPLEHTRKQ-NDENLUEZSA-N	493.972	6.620	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C(O)=NC2=S)c1	38184175	NRSKGHWHYFDEAL-QNGOZBTKSA-N	451.551	6.123	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847493	DYFQWEZDPBLFLS-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cc(C(C)C)c(OC)cc3C)C2=O)c1	59104910	KHMLCXNXJBFHJM-DEDYPNTBSA-N	466.534	5.431	10	40	JKCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1	103785073	UXOKQCMDRPLSKZ-MYYYXRDXSA-N	478.552	5.127	10	40	JKCB	
O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	113836940	UQPVAKAKQSZNJL-WOJGMQOQSA-N	475.469	6.069	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	223054846	HNCGDEBDRTUIQE-DHIUTWEWSA-N	499.478	5.261	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223459277	AKWKJGBFKAQSSH-SVBPBHIXSA-N	467.642	5.619	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C	224268048	LWGFTCXWGQGKGU-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C(=O)O)cc1	225017627	DOXJARQDFHSPJL-ZEQRLZLVSA-N	460.603	5.102	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225042854	BOMOASMVURKRSW-VMPREFPWSA-N	495.696	6.272	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccn1	225338024	SJTSVJLYQSCUQI-SXOMAYOGSA-N	483.641	5.848	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)CC1	225655274	MYEDVYRUISPLDZ-QFIPXVFZSA-N	475.727	7.263	10	40	JKCB	
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccc(F)cc1	408634370	QFWMXFHNTLEDMU-NDENLUEZSA-N	469.925	6.154	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(Cl)cc2)c1	408756703	UCJQQFQWCIIZLI-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)c1	408786342	HSZQMPXDZQCCAB-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)C1=O	408868575	OXPGTASMCBUEJB-QNGOZBTKSA-N	460.917	5.148	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409009811	IHGQEIYHXRROQV-FBHDLOMBSA-N	458.320	5.633	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409054500	AQBAQPHWOSONOE-MYYYXRDXSA-N	456.542	5.288	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	409176444	NNCACTDVJNAWNF-GRSHGNNSSA-N	473.934	6.152	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c1	409226378	NEZZMUGDAZBODU-LDADJPATSA-N	485.055	6.001	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(=O)NC1=S	409229368	OALWJKLBVYMRQQ-SFQUDFHCSA-N	484.408	5.541	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)NC1=S	409249354	UCPCPABLNZDIMX-UDWIEESQSA-N	463.990	5.196	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1O	409338596	MSKIENNGNLAFDD-OVCLIPMQSA-N	468.419	5.291	10	40	JKCB	
CN(C)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccccc4)cs3)N=C2c2ccccc2)cc1	4046343	FOHPUSJXTZSRDE-QJOMJCCJSA-N	450.567	5.711	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc12	4290112	MUMIHEPOBZGMGB-MRXNPFEDSA-N	483.486	6.837	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	8442653	RPQFBESSZOJUTR-LGTXBLIGSA-N	487.599	6.546	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1c1ccccc1F	9015876	JPCHMNOAZGXBQW-LTGZKZEYSA-N	471.557	5.450	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	9209848	OGKUMPMJNJKSBQ-DVELLGFNSA-N	459.619	5.910	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1	9273909	LNARKAKRLYUTKR-BDPOZWGGSA-N	457.534	5.209	10	40	JKCB	
Cc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(C)n1-c1ccc(Br)cc1	12632414	PJXAIQXLMFSTAG-UHFFFAOYSA-N	468.398	7.581	10	40	JKCB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1	13644501	PUMWBWNKHWHVQH-QJOMJCCJSA-N	477.655	6.329	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	13810283	SGXRYAMSHOHJFE-NPVLQNQSSA-N	478.552	6.133	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(C)n(CCCOc3cccc(C)c3)c3ccccc23)SC1=S	41108610	GZIGEMSOPNUHDJ-KQWNVCNZSA-N	450.629	5.948	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2[C@H]2C=CC[C@H]21	58846543	OZKXQTPPAAESTN-XXAUWVGASA-N	460.599	5.939	10	40	JKCB	
COC(=O)C[C@@H](c1ccccc1OC(C)C)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222538	YBXYFJIDZPHMMJ-SFHVURJKSA-N	490.508	5.059	10	40	JKCB	biogenic
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCN4C(=O)[C@H]5CCCC[C@H]5C4=O)n3)c2C)cc1	103047655	KJLKEHYEXAXXSA-OYRHEFFESA-N	490.629	5.030	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc21	223489397	MHPBNFIAYJQHIE-OEAKJJBVSA-N	473.642	5.545	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21	223509276	RKSAMIMOAPNTBM-LPYMAVHISA-N	494.060	5.890	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224205225	VGANSRSMEKDATJ-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404778	UOAPKXLIYMFIGA-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224523346	NXZLBNLRRQKCKP-DQEYMECFSA-N	455.587	5.070	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	224571689	FMCBYEGYIRTMGQ-LMSSTIIKSA-N	496.680	6.600	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	253499702	RUPJLEKJZUBHKS-KTMVBDMDSA-N	481.771	8.066	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)O)n[nH]1	408630833	DBEHMSGSCIEWHS-UDWIEESQSA-N	470.982	5.260	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(C)cc1	408806247	AXAMAIROPFNWEK-DEDYPNTBSA-N	490.943	5.211	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccccc1	408901962	JITWXGRZRKCGBM-KOEQRZSOSA-N	453.588	6.825	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S	409014940	QMXQTKPQMOHOEQ-CPNJWEJPSA-N	454.910	5.303	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409078606	IULUZICANOGHPA-LELXDKESSA-N	490.990	5.207	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	409079187	KIOOJTBURHMNLX-XLNRJJMWSA-N	461.359	6.072	10	40	JKCB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O	409209556	GZBWNZNABACSIS-JFPGXGMNSA-N	481.401	5.779	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1O[C@H](C)CC	409343485	HGBYDARGYLAYFF-GIKSKMNSSA-N	463.624	6.822	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	1255676	HSMIOYARSNIRCW-XNTDXEJSSA-N	474.913	5.572	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc2ccccc2c1	1862917	GTANPHVVIZXVEM-QFHNRLETSA-N	458.608	6.016	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2276819	XPAPRANZYMZLRH-PGMHBOJBSA-N	477.611	5.386	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	2372301	WQTULMRHYWKAQX-HMAPJEAMSA-N	473.579	5.542	10	40	JKCB	
Cc1ccc(Sc2cccc3c2C(=O)c2c(Sc4ccc(C)cc4)cccc2C3=O)cc1	5124929	QSAMAACSVSBFKT-UHFFFAOYSA-N	452.600	7.381	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cc(Cl)ccc5Cl)o4)S3)CC2)cc1	8441237	AVQCXTQCAJQXLA-HZHRSRAPSA-N	498.435	6.354	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl	8741394	SASCEZBLHNCZMR-JXQFQVJHSA-N	481.335	6.947	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)c1	8743634	RDRYAZNCNPMMPG-ZVHZXABRSA-N	467.500	5.952	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N1Cc1ccccc1	9089970	MQCPFBJRPUKBEF-JJIBRWJFSA-N	451.526	5.142	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	9309483	XYKKAQNIGLYBJI-ZNZIZOMTSA-N	451.497	5.157	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	12615123	LVAWBDZIYDWAIB-BXUJETTOSA-N	468.471	7.671	10	40	JKCB	
Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1C	13940768	MJMMIMGSBSVJQA-XIEYBQDHSA-N	475.635	6.557	10	40	JKCB	
O=C1NC(=S)S/C1=C(\C=C(/CC(=O)c1ccccc1)c1ccc(F)cc1)c1ccccc1	16476493	CCDGICZBZDJWCN-WJGQKVTCSA-N	459.567	6.041	10	40	JKCB	
COC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	19708188	UKQXDZDAXYJOQM-QVIHXGFCSA-N	453.546	5.360	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCc2cccs2)cc1	20288866	DIWNWCYFYWBWCS-JWGURIENSA-N	474.611	5.224	10	40	JKCB	
CCC(=O)OCc1cc2ccccc2c(-c2c(O)c(CN3CCOCC3)cc3ccccc23)c1O	31739976	IJLVGJGFLHQCBN-UHFFFAOYSA-N	471.553	5.357	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)c1C	41083604	RJTHVCPHZYDSMJ-MFXDBDOTSA-N	470.573	6.154	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59139009	KZOVDWPPHGPYGF-XIEYBQDHSA-N	493.538	6.125	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(Br)c1	98086623	IMTHQQOQYZHEKU-MLPAPPSSSA-N	461.189	5.867	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N\c2cccc(/C=C\c3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	100367640	RRVMYYAEPMQLSF-RZQULEOJSA-N	470.510	6.254	10	40	JKCB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(-c3ccccc3)cc1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O	101076136	NBVUTOWQEBFCTK-VJGNERBWSA-N	499.522	5.049	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C	208226578	ZZOKXFNAUVVRKU-QRAWFLTRSA-N	477.630	5.700	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1	223460798	RLIRITRVMYMNID-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc2ccccc12	223493332	GZQFBGNSAPEMNT-URLMMPGGSA-N	489.648	6.210	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223758660	WNPBNJXRTKFOQK-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(O)cc1	223897537	BAPVCJNVTNDWPH-KAYWLYCHSA-N	483.641	5.438	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1C	224017780	INFQSXBRHJUVHK-IZLXSDGUSA-N	496.636	6.012	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172474	BIBBEDNQGCLRPF-CLJLJLNGSA-N	499.596	5.583	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224266983	YWKCVOCLVJICPT-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C	224270381	VTBKELFVBABMJH-FQLXRVMXSA-N	495.696	6.349	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1C	224370953	LEQNKAMFTIBNRL-IHLOFXLRSA-N	494.708	7.406	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)nc1	224374018	VBZLOIQFXCBEGX-WUFINQPMSA-N	481.669	6.493	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224398683	PEXXMOXIYWVHLQ-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	408605704	YNZKGSIINRBMDQ-ZDLGFXPLSA-N	493.404	5.798	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Cl)c(Cl)c2)C1=O	408866020	FXPZNDAACLEBMY-WOJGMQOQSA-N	499.781	6.212	10	40	JKCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc12	408873424	QZEZPWLRCGTGCG-LFVJCYFKSA-N	495.466	5.144	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2Cl)c1	408886102	DIVVKZLZNQMTME-LPYMAVHISA-N	488.971	5.819	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccccc3Cl)c12	409123674	IAUOGHDNICPITG-IWIPYMOSSA-N	489.065	7.311	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1Cc1cccnc1	409140508	IKCGMPRRBDTLDU-NRFANRHFSA-N	489.449	5.939	10	40	JKCB	
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1ccccc1F	409142561	KVCIYKAQYCZHAI-BKUYFWCQSA-N	496.947	5.467	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)c1	409243470	YXPVUGNZYQWALI-SRZZPIQSSA-N	454.357	5.802	10	40	JKCB	
COc1ccc(N(C)C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	409334715	MCBLVHSGYNERDU-UHFFFAOYSA-N	458.521	6.766	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2	409339881	MJHNNWAKXQDCOQ-SSDVNMTOSA-N	481.982	6.054	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S	2076091	MJSVTEAOELDYSX-NCELDCMTSA-N	491.616	5.846	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	2376174	XMAFLMJHEZZNHI-KQWNVCNZSA-N	477.655	6.248	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccccc1Cl	2878671	JZNYJESFBJNMMC-PDGQHHTCSA-N	484.426	5.681	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	8445126	VKAYWIZBSNCWHB-OVVQPSECSA-N	493.494	6.147	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	8821321	BXONFESRPDMSJF-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821369	UTEWSVRFNYDIJL-CNJGYECJSA-N	476.019	5.620	10	40	JKCB	
COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OC	9144491	CMKKKVDXDVLDNG-ULJHMMPZSA-N	493.606	5.567	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1	9209949	VOEHCUUQJVVJRZ-JRUDSCEVSA-N	475.662	6.807	10	40	JKCB	
CCOC(=O)N1CCN([C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1	20192084	MWOXSFHZHQQVAF-SANMLTNESA-N	495.708	5.917	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c1C	20324861	YXCZBDZSESLKQP-NDENLUEZSA-N	472.056	7.248	10	40	JKCB	
CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(O)c(CN3CCCCC3)c12	20506519	VEAVXUPULGBFCT-UHFFFAOYSA-N	485.422	5.629	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1	22712163	UVDQCFBPLGRVLT-JXMROGBWSA-N	476.045	5.599	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)cc1Cl	59135408	FSGULMUGQQUEHH-GZTJUZNOSA-N	468.824	5.032	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Br)cc1	59229784	ZRIUAKILCYVYIO-UDWIEESQSA-N	461.315	5.321	10	40	JKCB	
O=C1[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1	100414427	NBVUTOWQEBFCTK-GMQQYTKMSA-N	499.522	5.049	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1	103917975	YKOKSGAPAJMXHS-QNGOZBTKSA-N	458.971	5.407	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1	108169649	JGVXSPBPDNKENQ-HAHDFKILSA-N	454.913	5.534	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223862309	DIWMJMKFLNCOTJ-AHKZPQOWSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1O	224400913	UFQYXXUMXRBWLJ-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902301	MSMMAROSISADFH-IZLXSDGUSA-N	484.644	6.731	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S	408604553	VICHXSITEGGWON-XKZIYDEJSA-N	469.990	6.772	10	40	JKCB	
C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Nc1ccc3nc4c5ccccc5c5ccccc5c4nc3c1)C2	408734842	FYEIURDHPNHSPN-DYXWJJEUSA-N	490.676	7.543	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Br)cc2)C1=O	408865020	BPKXACVKDJFQND-HMMYKYKNSA-N	475.342	5.015	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cc([N+](=O)[O-])ccc1O	408984485	HQQFLQICGZLKBI-MHWRWJLKSA-N	453.281	6.079	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)C(=O)N(c2ccccc2)C1=S	409022779	SMRYILBAFUOMCN-XIEYBQDHSA-N	487.625	5.447	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)n(Cc2ccccc2)c2ccccc12	409032312	CMMJREGCPHAEIF-LDADJPATSA-N	495.451	6.500	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409090266	LVLVKWKCQZJQNH-UQQQWYQISA-N	482.942	6.893	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(c2ccccc2)=NN1c1ccccc1	409092921	XUPIHBJYVYNSKR-DFKUXCBWSA-N	480.567	7.253	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC	409351273	SXCFLHSMYKVNTM-BOPFTXTBSA-N	464.406	5.571	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)SC1=S	3167385	UGDXYRUTXKHNJN-WJDWOHSUSA-N	459.017	6.028	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)c(C)n1-c1ccc2c(c1)OCO2	3352482	FUKFZWXGIWYZQL-UHFFFAOYSA-N	477.557	5.815	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C2=O)cc1	8744272	ZYERTSFOSOXGJB-LGUFXXKBSA-N	493.563	6.180	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O	8819307	CNPXJRYOCJKTPT-IUXPMGMMSA-N	467.399	5.232	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1	13940638	INYFLLIEGIDBJZ-LDADJPATSA-N	484.426	5.729	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O	14133137	LGLQGOORLFPQFJ-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	33741755	IXTPNWGAJZKXNT-ONUIUJJFSA-N	497.982	5.788	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	35385590	UONPFZLAMKGKSH-HHSYEIOLSA-N	495.942	5.693	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(F)cc1	58822101	ZPLFGUDZLGLSIV-LPYMAVHISA-N	464.924	6.263	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	58822169	PNBQWSMPOYWQBG-FYJGNVAPSA-N	485.989	6.473	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2	102719687	FGXRBQFPIUKGOG-UZTOHYMASA-N	479.536	5.905	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1	106766240	YFOUYHVKZNJBIZ-JCMHNJIXSA-N	497.414	5.972	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1C	108845176	YIILTVDPHNEJIJ-UCQKPKSFSA-N	476.579	6.196	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2C(C)=CC1(C)C	208533104	ZQEVVCKFPWOKNX-QRVIBDJDSA-N	477.586	6.162	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Br)cc1	222921214	NIZNQZTWOJVANA-GOTSBHOMSA-N	483.479	5.880	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	222950922	WFZZOOONZBCOIW-KAYWLYCHSA-N	489.689	5.098	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224337676	KWASTJRASAZMMF-KAYWLYCHSA-N	496.636	5.927	10	40	JKCB	
O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1	226694963	AFAUGTWCLHBGAU-FHSNZYRGSA-N	452.679	5.679	10	40	JKCB	
COc1cc([C@@H](Nc2nccs2)c2ccc3ccccc3c2O)ccc1OCc1ccccc1	408533369	QQCOTVIJGOLDFR-AREMUKBSSA-N	468.578	6.791	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccc(O)cc2)C1=O	408763644	JIKNLNBCPSMNIT-XMHGGMMESA-N	460.942	6.103	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408768164	CKWAYUPDZBSRQM-KEBDBYFISA-N	480.458	5.027	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccc(Br)cc2)cc1	408846698	YOIAMBVATLZUSF-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
O=C1C(=Cc2ccc(Cc3ccccc3Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408877013	SBPKWFPQXBPBPA-UHFFFAOYSA-N	492.962	6.514	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)cc4O)C3=O)o2)cc1	408983421	BQIANBFTMFEIHM-RCCKNPSSSA-N	497.934	6.564	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409015155	YUIIYRRWKXLTHT-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O	409015418	ZRXOLDPDPHDGDB-BXDFRRGMSA-N	493.028	6.234	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	409023000	ASNWYTBSOJTWTE-YVLHZVERSA-N	476.754	5.297	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409093147	YGRWZEDOVRLLNH-HNIBHBHRSA-N	498.428	6.092	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C	409126653	MCFWWZDZJAHKGM-HYARGMPZSA-N	452.576	5.497	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409246046	DCCZPYZELICUFJ-LFVJCYFKSA-N	462.981	5.691	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1	409338881	QDBGQOOHLQTSNH-BUVRLJJBSA-N	458.583	6.543	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12	1913287	GDEXOCBVYFUQOG-UHFFFAOYSA-N	487.905	6.860	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	2277346	BKGKIRLLGUPIKQ-XSFVSMFZSA-N	471.969	5.174	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)N=C2c2ccccc2)cc1	8856010	HTFBIILXOWBPBZ-RRAHZORUSA-N	473.532	6.272	10	40	JKCB	
CCOC(=O)[C@H]1[C@H](c2ccccc2OCC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9293439	SUMXYCURLOGNBG-KWXIBIRDSA-N	493.559	5.082	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	9309107	BZYKYBZCWUQDHQ-MRDWGVERSA-N	474.011	5.086	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)CCc4ccccc4)n3)c2C)cc1	12524888	MAPVZTSHOONNPG-UHFFFAOYSA-N	459.571	5.576	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	33384683	MYAUAPKQJAIKIO-YVLHZVERSA-N	481.867	5.092	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)cc1	59229140	UTZYDTVJCNIKEF-UDWIEESQSA-N	477.314	5.021	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O	208198815	QUXHNVVCQMWDMS-IYSPOMMRSA-N	496.405	5.146	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1	223097393	MORVNTAQVAYTBT-JWQCQUIFSA-N	465.066	6.448	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223761572	YCVDYWQBBALDFY-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1	224365786	ITJMSSTWQXFILE-WUFINQPMSA-N	466.654	6.790	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(C(=O)O)cc1	224435224	MCIKUSYWBOKGCK-DQEYMECFSA-N	486.572	5.504	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c(OC)c1	224812503	BEPARZBCHRIJGT-SVBPBHIXSA-N	499.640	5.387	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	408572659	HOINBSSBFKLDOR-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1	408577244	SBICLEAOSJJUMK-JAIQZWGSSA-N	491.034	5.366	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)c(OC)c1	408630556	BRPJIGBAZKFOIA-JAIQZWGSSA-N	488.997	5.206	10	40	JKCB	
COC(=O)c1ccc(C)c(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1	408766066	OIILLGFNEJMHQB-FYJGNVAPSA-N	489.955	5.924	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	408788599	DUNBUBOYECQFQH-VCHYOVAHSA-N	488.758	5.721	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	408801156	RSNPOSLXNFGXGT-BUVRLJJBSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2Cl)cc1	408801339	VJHDLHOXEOTKND-DEDYPNTBSA-N	460.917	5.202	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408878200	YATNYPKYVQSQCZ-BOPFTXTBSA-N	485.298	5.378	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C)c1	408902972	SWLAEUNOEZMRFI-OEAKJJBVSA-N	460.961	6.432	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408979199	PXHUQPWATHXBKF-PLRJNAJWSA-N	453.538	5.181	10	40	JKCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O	409098997	RCIMIEZSWCUKFR-OEAKJJBVSA-N	450.535	5.868	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)NC2=S)c1C	409124423	HOQGUFFESLEDAZ-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1	409234620	MAKABLJECHYBFY-OYKKKHCWSA-N	473.598	5.057	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3283343	JHLZZZRWVNDUAD-UHFFFAOYSA-N	468.283	6.042	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	3768706	FLOWXAGZZXBTMQ-HCZVKUGISA-N	478.433	6.041	10	40	JKCB	
Cc1cc(C)cc(OCCn2c(C)c(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	8407985	PZNXDYWFZJWXLW-IAWHSNBSSA-N	499.640	5.921	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(O)=NC(=S)N1c1cccc(Br)c1	8770793	WWUQZBQMTXNXSF-LFIBNONCSA-N	498.314	5.289	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	9232587	CCYIZHKPIAJQNU-LPYMAVHISA-N	485.989	6.473	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2N(C(=O)c3ccc(C)cc3)CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1	10078654	HLQQBEQZUDKPSE-AREMUKBSSA-N	486.572	5.046	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	13603104	ATUJNMFGKHUJEE-UNOMPAQXSA-N	452.264	5.423	10	40	JKCB	
O=C(C1=CN(c2ccc(OCc3ccccc3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1	21359422	LFCBDEBVIVTTEH-UHFFFAOYSA-N	474.582	5.045	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	33920733	VKCKTRLQMCRICT-HGMBWOCJSA-N	469.570	5.079	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	58845586	FLKMIZCDGKAHJO-YZUZCNPQSA-N	481.415	6.076	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c(C)c1	58846262	ISPIWJUPMVFMQC-VVZHRXSXSA-N	475.570	5.839	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N12	103563458	BWBBLVYXXRVBBK-GQZSXMDHSA-N	484.375	5.074	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1OCC	107978007	XSCWBHSBXREYLF-LTGZKZEYSA-N	459.011	6.780	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C(=O)NC1=S	208237927	SPJOCPBPSHVCGS-LZNAANCOSA-N	468.022	5.202	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21	208240092	FPNVUFIXMHATDZ-VVSAQIQQSA-N	488.440	5.547	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223050030	PNAHDLIINAQWCX-KAYWLYCHSA-N	470.642	5.651	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223422542	WWXGCHJQKGDWDX-SXOMAYOGSA-N	484.625	5.376	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223723005	VGLCMPCUXOOZLE-ZEQRLZLVSA-N	483.037	5.068	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223972215	FAVAXAMVAQFBJF-WUFINQPMSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224202743	KLHBZNUCDCAIKM-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C	224271154	JFVDTEWQXRUTGN-FQLXRVMXSA-N	480.681	6.900	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	224334723	RNLUZOPEUWIUIQ-VMPREFPWSA-N	480.681	6.791	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224531021	SPSRIEVSIKJDDQ-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224875177	JEKJEYVBAITMSS-LOSJGSFVSA-N	490.032	5.729	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260918075	KXOIFSWVHFPMMS-UKDVSSAZSA-N	481.065	5.602	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccc(Br)cc4)OC3=O)o2)cc1	408742289	ODZATIAFXWCHBT-QGOAFFKASA-N	465.299	5.867	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408752325	DJEUZZVLFJBONK-SDNWHVSQSA-N	475.378	5.569	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	408754119	PLSQHSXFLGSARW-GZTJUZNOSA-N	486.782	7.135	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1	408780563	DUBWFSRGRALMTJ-KOEQRZSOSA-N	455.558	5.412	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C	408815412	QEBJJXGGFJISLF-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1F	408878000	ZXARHYVGAGLNFI-DEDYPNTBSA-N	469.299	5.390	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1	408878651	BDVZLKYMBAOAFZ-DEDYPNTBSA-N	497.334	5.247	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1	408985890	NVNPFLDZHBFWJM-OQKWZONESA-N	492.487	6.113	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409013221	MJXWKJKSLRVIGA-QQXSKIMKSA-N	468.597	5.892	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409056707	STPCJXQVHZCOHN-ONUIUJJFSA-N	470.569	5.678	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)c2ccccc2N1c1ccccc1	409204905	LUULOQNJECXHSF-JJIBRWJFSA-N	478.954	7.701	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2ccccc21	409207553	WRDZIGZARZGILU-HZHRSRAPSA-N	457.371	6.359	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC(F)F	409345813	LOBLHGCVMKAFKR-LZYBPNLTSA-N	476.353	6.399	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)cc1	409375606	MZAVAKFHSMFKRT-PCLIKHOPSA-N	471.626	5.611	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1	8742904	KMFTVPBAPSMPQA-HACRSSKKSA-N	476.945	5.607	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	8818969	OSDUXXDMUOHWCA-BRYYZUPOSA-N	488.439	5.661	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S	8821355	VTEBQOJDRZOVSE-PLDFPGSMSA-N	455.601	5.419	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S	9310397	VZRZAYZBGPZHSP-VCHYOVAHSA-N	458.948	5.254	10	40	JKCB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	12616607	BBSXKAWCXXOBBW-XFQAVAEZSA-N	482.960	5.276	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1	13799245	SLQBXZVPJCBEBE-DVELLGFNSA-N	487.585	5.004	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1Cl	13914802	JCVRVZGNOCYRKJ-MTJSOVHGSA-N	476.916	5.432	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	20168316	SZMKHYLMFCQDMN-QZTJIDSGSA-N	463.640	5.974	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(OCC)c3)C(=O)N=C2S1	32109388	MKTYGGYXQLVHLX-IOPUFQEFSA-N	492.601	5.271	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4cccc(OCc5ccccc5F)c4)C(=O)N=C3S2)cc1	32109551	LJPQQPSLGJZYOX-QKRKUQNHSA-N	470.529	5.381	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc([C@@H](C)CC)cc4)c4ccccc34)C(=O)N=C2S1	33148381	HBNCZHPKTFLXQS-OQHOMIKGSA-N	499.640	6.263	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1C	41077883	OSVKIVOTHKUVRQ-DDSBZIKFSA-N	471.561	5.518	10	40	JKCB	
C/C(NCc1ccco1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	100641716	VCWBCXAIIAOFLD-QJOMJCCJSA-N	474.611	5.756	10	40	JKCB	
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422935	WVSCCOHUMUYWGY-BJZXMMSNSA-N	470.660	5.313	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(F)c1	223495921	XOSRYZQRGUKWJJ-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223534710	FGFPSCSNLTVDLQ-KAYWLYCHSA-N	467.642	5.619	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371508	VBAFHBQNOOEXGK-IHLOFXLRSA-N	494.708	7.406	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224601440	VURZWBXPHSECNQ-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2cccc3ccccc23)SC1=S	256055445	HDXGUSONPQWYMJ-YVUGPFRESA-N	462.596	5.128	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br	408600497	BUHPAYYLIQVCFC-ZDLGFXPLSA-N	482.852	6.543	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Br)cc2)c1	408762876	MTFAEXSWKNPDTC-KOEQRZSOSA-N	467.366	6.745	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)cc1	408871005	WWLWOHRHKYTQKP-RCCKNPSSSA-N	475.342	5.015	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Cc1ccccc1F	408883086	QJYJESLQNDRMNZ-LICLKQGHSA-N	499.325	5.398	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)SC1=S	409122877	CQIUDORSFVBTHY-JLPGSUDCSA-N	494.638	5.743	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409132866	RUVPWYJKQBOUFU-QQXSKIMKSA-N	491.056	8.036	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S)c1ccccc1	409179453	OBGKJOASHGPWBQ-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC	409328223	QDIBFVXGVCYAEG-BOPFTXTBSA-N	464.952	5.451	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4cccc(SC)c4)C3=O)c2C)cc1	409339411	VDEILSBIIKSQOG-XKZIYDEJSA-N	466.653	6.230	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(F)cc1	1890346	NOFCUHLNAAADBA-HYARGMPZSA-N	457.592	5.947	10	40	JKCB	
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1	2255117	MGHIZXSQORRLSI-QJOMJCCJSA-N	493.723	7.043	10	40	JKCB	
Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1Br	3319115	MMXOQDODLJEIMX-UHFFFAOYSA-N	459.315	5.100	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	8435393	MUEYKTKBVUKCQE-ZVHZXABRSA-N	498.970	5.472	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1-c1ccc2c(c1)OCO2	13525223	LMIKUJDKAZWEID-UHFFFAOYSA-N	478.599	5.261	10	40	JKCB	
Cc1cc(/N=N/c2ccc(-c3ccc(/N=N\c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)cc1N	104367163	GEDXLLFPTRUMEY-SNQKRLHOSA-N	466.501	7.061	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	222989017	KOVHLAPZNZFARZ-ZEQRLZLVSA-N	462.619	5.048	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223502293	XUIMQFCBXIYMLV-FTJBHMTQSA-N	488.060	6.019	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C	224269106	OAWZFGORRSCKRA-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224365946	AJLSUCLJQPWOEF-WDYNHAJCSA-N	480.681	7.098	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C	224566686	PQAJPOOODMWOIB-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)CC1	225098073	GUJGMKXQWNLEAF-UZPCJBMISA-N	473.642	5.633	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	260568401	OQFUVTKRVAMSRB-WMRWHDLOSA-N	465.981	5.507	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1	408575275	NPFMMLBOVUUNRM-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1	408885609	CUIZJGLLXNPEQY-XDHOZWIPSA-N	464.880	5.033	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1	409021286	ZYCGNUCTUFKECZ-LDADJPATSA-N	487.027	5.393	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1	409054811	GSWYJMBTIZGJTG-RGVLZGJSSA-N	471.771	7.032	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1OC	409096089	JGWFTYNVDYNYAP-KGENOOAVSA-N	494.569	5.501	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409098181	OBWQPECHTIMHGC-VXLYETTFSA-N	456.329	5.507	10	40	JKCB	
O=C1[C@@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1CCc1ccccc1	409143806	JGCFILWUOVTKRG-HSZRJFAPSA-N	451.588	5.419	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)O	409346572	NWQSVTTWRYQUHZ-IUXPMGMMSA-N	484.382	5.261	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1C	409352715	YFHJZELKRPKOQH-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
Oc1c(F)cccc1CN1CCOCCOc2ccc(Nc3ccccn3)cc2Cc2cccc(c2)C1	643589342	QAZBOSNHVCNWKK-UHFFFAOYSA-N	499.586	5.672	10	40	JKCB	
CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	1239521	AFSVZNAPCUEKGV-AMQBKCJUSA-N	452.601	5.262	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(N4CCN(c5ccccc5)CC4)=NC3=O)cc2)cc1	8821751	IMFPKMSUVSTDIG-XHPQRKPJSA-N	469.610	5.367	10	40	JKCB	
CSc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4ccc(C(=O)O)cc4s3)C2=O)cc1	8893007	VJSNCPQRZNJNHM-MOSHPQCFSA-N	471.563	5.551	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	9009649	LMAJVANIMFMBAZ-JJIBRWJFSA-N	483.593	5.320	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccc(C)cc1	9660170	SKTQWNGPOUEKFF-PDGQHHTCSA-N	494.432	5.055	10	40	JKCB	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	12040456	DKXZOSFRESYLIR-GHVJWSGMSA-N	466.401	5.652	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)c1	27520658	FLCQXFHOWGRXBS-BOPFTXTBSA-N	455.297	6.377	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)ccc1OCc1ccccc1F	33424061	WNZDTFQELGGFMY-ATVHPVEESA-N	480.879	5.573	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	34767457	BZYKYBZCWUQDHQ-WUVMMTAUSA-N	474.011	5.086	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12	41084249	OZSJRTNTINSUGA-FPYYEXTBSA-N	479.974	5.288	10	40	JKCB	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@@H](c1c3ccccc3cc3ccccc13)N2	96006170	RYGJFADJFDLOCL-WYEJZRMESA-N	450.796	8.780	10	40	JKCB	
COc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)c(NC(=O)c3ccc(OC)cc3)c2)cc1	98087471	NNFLLAXMVYXBDS-QNEJGDQOSA-N	480.524	6.624	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(=O)O)N2	113355168	QGJSJHSBEKSIAQ-UZEJHQAJSA-N	476.554	5.021	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O	208239415	SQCXOJGGDDJZCS-HETQGSOESA-N	450.988	5.050	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222860663	IJKLOQSGULOMAM-FGZHOGPDSA-N	458.553	5.890	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223095909	ROAKGMHJFHFVGF-SXOMAYOGSA-N	458.675	6.357	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc2ccccc12	223306132	YEWOAUXNEKHFSW-ZGOJTZKKSA-N	482.653	5.794	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352429	KYFQZZNHVJWVFG-LOSJGSFVSA-N	493.032	5.917	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223865287	DSMYGJCDWVCVBX-DQEYMECFSA-N	455.587	5.075	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224301082	XRUADOBKDVPIQZ-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c([N+](=O)[O-])c1	225019776	UFTDMRGRHJSQSE-RPBOFIJWSA-N	491.617	5.321	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225349259	XZAAEINGCMWKBA-SXOMAYOGSA-N	497.668	6.157	10	40	JKCB	
Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N1CCCC1=O	225671145	YBFNDYFCYQRNFL-UYAOXDASSA-N	450.652	5.406	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)NC1=S	260565608	JGWAMGLNTQHXIK-IYSPOMMRSA-N	482.049	5.456	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	408779861	MKTBITYAWWLUOC-QQXSKIMKSA-N	454.570	5.584	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408876905	OSMOWWASDYSMLR-UQQQWYQISA-N	478.573	5.559	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409061348	DFGJAUBLAJYKNH-HAHDFKILSA-N	490.987	6.023	10	40	JKCB	
COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccccc4F)cc3)SC2=S)cc1	409145670	OWMZHEMKMUATLO-QHCPKHFHSA-N	467.587	5.385	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1	409232311	NUMGIGLREYTORH-JJFYIABZSA-N	454.357	5.802	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)cc1	409240589	LJMHNLMSRNPOQK-BUVRLJJBSA-N	497.595	5.783	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O	409242706	XTQNPMXMNLJWPY-GHRIWEEISA-N	470.403	5.031	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)c(OC)c3)SC2=S)cc1	409330161	JSWBDSMJJYZIMQ-XYGWBWBKSA-N	491.634	6.387	10	40	JKCB	
O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c2o1	1614472592	UNVIRHUXSXSVIE-YBBIWVAVSA-N	482.624	5.561	10	40	JKCB	biogenic
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc(OC(F)F)cc4)n3)c2C)cc1	3400993	ILNBYMIEWHKUFF-UHFFFAOYSA-N	497.523	5.858	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1	8916734	MLUZOIUKHWYAPS-BWAHOGKJSA-N	476.045	6.765	10	40	JKCB	
CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccc(N(C)C)cc1	9076537	NUNZVQCWCLIKRE-XRKRLSELSA-N	466.666	5.663	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)cc1	9310708	XKSRDWNEDKVMBZ-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1	12411754	VUKJILLDBZDVEJ-RUKREANESA-N	474.689	6.564	10	40	JKCB	biogenic,in-vitro
Cc1cc(C(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(C(F)(F)F)c1	13134248	UKKJMKANLWPQFB-UHFFFAOYSA-N	482.365	6.992	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)cc1	13686209	ICFSXTHRXAQWLT-JLPGSUDCSA-N	483.499	5.675	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1	33337548	LLPQMDQELBZTOT-JMIUGGIZSA-N	471.893	5.982	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2Cl)cc1	35126851	REMQOHWIIKJKIG-XKZIYDEJSA-N	469.393	6.963	10	40	JKCB	
COCCCOc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC	36426674	YTRPFWMXDNQTCX-FKEBYFGASA-N	461.603	5.582	10	40	JKCB	in-vitro
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)cc1	58845942	YQKDZVSNWHUSFX-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1N1CCCC1	59104558	SZYSLXVUWQXJBB-UHFFFAOYSA-N	451.526	5.179	10	40	JKCB	
CC(=O)N(c1nc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cs1)c1c(C)cccc1C	96663299	QIINXNVLCRUKBB-UDWIEESQSA-N	462.600	5.835	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)c(C)c1	113838522	QPWCVVHOYOQLCW-SSDVNMTOSA-N	487.477	7.424	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(F)(F)F)c1	222587694	ZSKQKALSLKSRMC-ARBPTSGCSA-N	456.537	6.097	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	224169298	NVUZZBYYBZYCED-DQEYMECFSA-N	493.463	6.973	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1C	224467434	CJQDGHHPSWRVFG-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224533017	YTUXGYAHJJWALI-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl	224956834	FTEWVWXPEYPFJJ-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OCc2cccc3ccccc23)c1	408804692	GPSJZDWMRPPRAJ-WGOQTCKBSA-N	492.531	5.402	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1	408880441	JWCHGRDLIOIBKM-WJDWOHSUSA-N	485.298	5.378	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccccc1Cl	408893001	DPIYJSQONKDJRQ-KGENOOAVSA-N	490.943	5.293	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)c1	408968113	ZMWUMEVZZQWYFZ-ZVHZXABRSA-N	455.558	5.303	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409056170	MZKUZXSJVNEQMC-OYKKKHCWSA-N	489.015	6.550	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409131558	VZWWKEUACFABTH-BKUYFWCQSA-N	481.624	5.985	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S	409250690	XWSSGYTVZDBYAF-PTNGSMBKSA-N	457.338	5.393	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O	409326317	ACEPJMIGIVJJJC-CPNJWEJPSA-N	477.449	5.710	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	409342709	GCKSYHUWKITEJG-QXGSTRBFSA-N	477.007	5.072	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(OC)c1	409346833	OQUNQBQGVIQNNZ-FRKPEAEDSA-N	470.797	5.526	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1	2224505	JYWHQWHNQHFLOC-QFNCUCFLSA-N	472.497	5.753	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(F)cc1	2245750	USBRTVXEFJFMCI-BKUYFWCQSA-N	466.515	5.719	10	40	JKCB	
Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21	8426557	MENHLZFUQHUXJM-SIKLNZKXSA-N	455.739	6.050	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21	9293667	ZSSSEMZRTYSCSG-KKUQBAQOSA-N	497.541	6.013	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N=C1S	9357705	YTUSEXNLJYUZQI-CYVLTUHYSA-N	453.523	5.086	10	40	JKCB	
CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	13807164	CDRZBCGKFPIHJS-PGMHBOJBSA-N	492.670	5.031	10	40	JKCB	
C/C(Nc1cc(Cl)ccc1Oc1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288306	IHDCYBMHNXFUSI-DIBXZPPDSA-N	497.957	7.408	10	40	JKCB	
CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c(O)c(CN(C)C)c12	20814626	MWLUZKNOWKFDBX-UHFFFAOYSA-N	464.381	5.432	10	40	JKCB	
Cc1ccc(C(=O)[C@H](NC(=O)c2cccs2)Nc2ccc(/N=N/c3ccccc3C)cc2C)cc1	27026795	RJUFXGHORVECQV-HDWLYZEYSA-N	482.609	7.140	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccc(Cl)cc2Cl)C(=O)N=C1O	33851467	SESKGUMFUXMIJD-OQLLNIDSSA-N	462.308	5.548	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c(Cl)c1	41108237	KUCXCZOQTKDQNR-UORCZGHMSA-N	491.979	5.863	10	40	JKCB	
COc1cc(-c2c3oc4c(C)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc(O)c1O	79492013	PQBLHWQLDROTLO-UHFFFAOYSA-N	489.528	6.032	10	40	JKCB	
Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc1Cl	95472334	SDPPTJBGONNDCS-UHFFFAOYSA-N	465.893	5.979	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C1=O)[C@@H](C)CC(C)(C)N2C	208231311	MIPHLIFLEPEJEE-MPMPPSQCSA-N	486.399	5.690	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)N21	222695664	NJYRCDLQUFTRGJ-NLSFWIRASA-N	470.564	6.487	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104130	CMVUASYHLKGOOY-IZZNHLLZSA-N	495.092	6.456	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc2ccccc12	223342229	CANHWWUVMNOJLP-NSOVKSMOSA-N	478.621	6.408	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223795136	PAGONXGLWAVWAZ-RRPNLBNLSA-N	468.626	6.065	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1	224035083	RVQWBPNSKLNQGV-IZZNHLLZSA-N	484.581	5.095	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224338226	BYBXJNNNESEKIE-FQLXRVMXSA-N	495.696	6.295	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21	260924331	ULULHAMZQUVHQL-LOSJGSFVSA-N	475.061	6.544	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2)cc1C	408726343	LPUQXIDCJUWJID-WLJHDNBWSA-N	463.946	7.319	10	40	JKCB	
C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408734772	DLMVXORINQWWDL-GOSISDBHSA-N	454.533	7.073	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1	408757480	XULBGRXNKLOXGR-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1	408811001	KTKXIAVBGIKUEL-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1OC	408842662	PKVKGUMWJJNXSL-DEDYPNTBSA-N	479.330	5.006	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408876899	QXFLHROJROOFCV-STZFKDTASA-N	462.958	5.059	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408902199	LSCZSQHPTBIECT-RGVLZGJSSA-N	481.335	6.077	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1	408983469	MHKPYKYWWFGTAH-NDENLUEZSA-N	465.912	5.115	10	40	JKCB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409029828	CLOILCAUIZRYKT-TZZQWBKVSA-N	488.840	6.028	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12	409103853	HHYHQHUWHPAUOJ-NBVRZTHBSA-N	480.351	5.413	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)SC1=S	409328857	BOZXPNICRIBXBF-MYYYXRDXSA-N	472.610	6.851	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)SC1=S	409328887	BVVDPLGQCWIAMJ-STZFKDTASA-N	454.617	5.439	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O	409338320	HSJKWGFHTKLNAU-KOEQRZSOSA-N	455.604	7.188	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)ccc2cc1-c1ccccc1	1614474454	SHOQQOZZKQPSPH-HMDFYGMYSA-N	482.624	5.561	10	40	JKCB	biogenic
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccc(F)cc1	1262832	HILIRIPNZYRPCK-NDENLUEZSA-N	494.906	5.964	10	40	JKCB	
O=c1c(Oc2ccc3ccccc3c2)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12	1771786	XIJMJOHGGFWGAJ-UHFFFAOYSA-N	469.459	6.449	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1	2372219	KAPZRWCMEXCNBE-HAHDFKILSA-N	488.012	5.124	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)c1	8861561	ILOHIIGKDGZUEH-FYJGNVAPSA-N	472.588	5.315	10	40	JKCB	
CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	9030113	VQSMCKKOHAZNHO-AQTBWJFISA-N	475.433	5.242	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1	9282692	OYNLJPUVKMHNOQ-VALGJJBMSA-N	476.565	5.060	10	40	JKCB	
CN(C)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1[N+](=O)[O-]	12546730	BXUQGIDWAOBKFR-UHFFFAOYSA-N	458.568	6.469	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13165619	OZKRKTZJNUEIQS-DLDIIRHTSA-N	473.001	6.360	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	13286363	JDZVFOMJORJBQI-DMNVVODESA-N	498.450	6.056	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C	32099453	KTKFPQCZSCYPMO-NPBUNYCVSA-N	494.395	5.412	10	40	JKCB	
CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12	32986760	YKCPRXLPWHOKSJ-UHFFFAOYSA-N	481.596	5.580	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	33855702	RGSOCVRCBMLVOG-PKTNWEFCSA-N	482.539	5.398	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)cc1	83302487	WYGUHXLMZLALTO-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCSc2ccc(Cl)cc2)cc1	112296701	QFMGTBMKIJYGTM-MOHJPFBDSA-N	478.017	5.755	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1	223609374	FVLSUDJZUTZVSJ-PGLVWIQMSA-N	489.685	5.944	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C(=O)NC1=S	223610428	KJQNOCWFIGFOIQ-CKMDTHJYSA-N	489.685	5.889	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1	224603214	WQXYCSUSDVKGGY-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(O)cc1	225045303	POQSCLBXKPEPJS-IZLXSDGUSA-N	497.668	5.669	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408777774	IKZAZPILJHLSME-QNGOZBTKSA-N	480.486	5.990	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(OC)cc3)C2=O)cc1	408840087	AXBFXBJXQXHYSX-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
Cc1cccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	408903284	WYYUWKRDQLNDKE-HYARGMPZSA-N	496.451	6.742	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408999160	STYMZIKCCYELTN-UQQQWYQISA-N	473.956	6.186	10	40	JKCB	
CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(Cl)cc1	409006521	KFEGCOHKUULQAO-YVLHZVERSA-N	495.826	5.158	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(O[C@@H](C)CC)c(Cl)c2)C(=O)N(c2ccccc2)C1=S	409017109	FHAKDZICIRHQBG-TWQQJCIXSA-N	456.995	5.471	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	409068544	TVCXXPQFTBCIDW-CPNJWEJPSA-N	490.346	5.663	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1	409133317	QELNSQBDWZKTHX-XIEYBQDHSA-N	460.599	6.162	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409162887	JAFYMWXKEFHRLU-PZROIBLQSA-N	464.743	5.644	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S	409212003	PMUYJJILNFIZMK-UDWIEESQSA-N	452.513	5.578	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O)Nc1ccccc1Cl	409239514	NKRVXEMDBBWQFM-UDWIEESQSA-N	473.957	5.144	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1	409342152	AGCDRPVHHHJKPT-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12	2224428	YAAIXBUPQCMUCI-BKUYFWCQSA-N	473.891	5.149	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(C)cc1	2281795	WRIGJUKMTNLDDE-PXLXIMEGSA-N	467.612	5.757	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1Cl	2301995	IMKXPRORGSQWAV-ATVHPVEESA-N	451.400	5.614	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(OC)cc1)N1CCCCC1)c(O)c1ccccc12	2667765	LLPZSOPTOVLDIY-SANMLTNESA-N	473.569	6.361	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	8749018	IHPJHPBKOJAGLH-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1	9012999	MJOWZLLJJZIVDI-KOEQRZSOSA-N	465.553	5.763	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cccc21	11027088	MOVWNYVMRHDVRI-UHFFFAOYSA-N	454.485	5.930	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009552	APKYJYNYJLDLSE-ONUIUJJFSA-N	488.559	5.157	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)C(=O)N1c1ccc([N+](=O)[O-])cc1	16449899	SCMIHPGLWJJGAQ-UNOMPAQXSA-N	495.850	5.473	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c(OC)c1)N2	58846126	BTXVIYRBWLGKMP-PFPZSTESSA-N	490.625	5.894	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58847425	RIJAGOOXLLTJHK-UZINWLIJSA-N	497.016	5.985	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)o1	106718367	PFRBFECBJLXZLB-OYKKKHCWSA-N	469.518	6.343	10	40	JKCB	
CCOc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc(Br)c1OC(C)C	107598227	UUTKKPVHOFJIEK-XDHOZWIPSA-N	475.408	6.026	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223425053	VDPBYEGXTFRYAI-WDYNHAJCSA-N	496.680	6.287	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224568766	BNBFFWKNYNAXPE-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	224571246	GFHJFEQGLYZQHK-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
CCOc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1cccc(Cl)c1	408736054	CGVHVIJAMXWNGW-VHSZZVNMSA-N	475.972	6.842	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(C)cc1	408801498	UBNPDEDIYQNLPI-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c1	408809306	GPMLUNPWBQTENU-YBFXNURJSA-N	467.953	5.026	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC	408935051	CEIDMWJZMFQVGV-LDADJPATSA-N	471.351	5.079	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408995080	IONBDTVLNCWPDG-JMIUGGIZSA-N	496.526	5.192	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408996144	LDFKMWIMPYAAKH-YBFXNURJSA-N	481.733	5.666	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408998361	IVSJNCISUWKUPV-XSFVSMFZSA-N	479.388	7.051	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)cc1	409056009	KLFAYMNWIQTHLS-YBFXNURJSA-N	481.335	5.547	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	409326835	FDLZKONBZOXQKT-AINDZBIGSA-N	468.427	6.585	10	40	JKCB	
CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccc(OCC)cc2)C1	729107	BPKFBLXCMKDRGG-UHFFFAOYSA-N	497.592	5.665	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	2367552	UYWOUHKZZVYOFE-JCMHNJIXSA-N	479.627	5.094	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	2813999	CNONOXFYVJZURS-XCOJNYNVSA-N	477.889	5.176	10	40	JKCB	
N=C1/C(=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)C(=O)N=C2SC(C3CCCCC3)=NN12	8495587	JIVIHYXHNHCTRD-ZHQLBJFMSA-N	476.533	5.244	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	8819653	VNEGDZJGOLCKLJ-JCMHNJIXSA-N	496.654	5.224	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	9188503	IZRPLUKVYLDNTJ-JLPGSUDCSA-N	461.608	6.379	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	9678615	NIBNDRCGYBCROS-CXJVOSNZSA-N	490.090	6.923	10	40	JKCB	
Cc1ccc(OCCOc2ccccc2C)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	9805440	GYRMOTYXVAKUMM-HAHDFKILSA-N	465.596	5.756	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl	13914580	YGDHORPVMLXVSU-STZFKDTASA-N	481.777	6.488	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\NC(=O)Nc1ccc(Br)c2ccccc12	16160642	CIPAJBPYTFJCRV-QNGOZBTKSA-N	499.368	6.184	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C\c3ccc(OC(=O)/C=C/c4ccccc4)cc3)SC2=S)cc1	16713821	QHSMOAHFZCWXQM-PLJQUDPYSA-N	471.603	6.015	10	40	JKCB	
CCOC(=O)c1c(CSc2ccsc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12	20813488	LJECYISEUVKVSC-UHFFFAOYSA-N	483.453	5.239	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58849175	ZUXYLCSPCHAYGU-ASHZAFPQSA-N	490.581	5.441	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)c1	58850050	ZRSRAOFQVPRNBN-BOCWGRARSA-N	466.606	6.776	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1F	108947042	SSELDTHAVOXEGB-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[C@@H](C)CC1(C)C	223539353	YSIVVTQRUNWGLA-GLFIFPSUSA-N	455.023	6.689	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C	224271986	RDUBURRFEATMTQ-WUFINQPMSA-N	496.636	6.012	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408572348	GJEUIZNBYLQGHQ-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	408740718	DQIRJYOYAYDCQD-CIAFOILYSA-N	481.375	7.261	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)C2=O)cc1	408778377	SMLUQSBZIGXMLT-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	408808386	FXAHAXAOJYUQJE-UDWIEESQSA-N	485.298	5.378	10	40	JKCB	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408870383	UZNCSZAEZMNTHL-UHFFFAOYSA-N	474.516	5.849	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	408903171	VCJMMQFSNWQGRM-FYJGNVAPSA-N	465.322	5.973	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)cc1	408969060	GNEZJBWEFISZJV-MOSHPQCFSA-N	486.877	6.276	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1	409030270	CSNBNVVKAZISAY-JYRVWZFOSA-N	497.217	6.211	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1O	409197751	NZCJNJDNBXPROB-AUWJEWJLSA-N	456.770	5.223	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409334255	VLBRXXHPOGKABE-ACAGNQJTSA-N	495.634	6.521	10	40	JKCB	
O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c2o1	524730725	UNVIRHUXSXSVIE-XBAGSAFKSA-N	482.624	5.561	10	40	JKCB	biogenic
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)cc2)cc1	8918568	SZGUWLDVMTURRF-FUIXUGOHSA-N	462.634	5.450	10	40	JKCB	biogenic
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	9144467	QDOHTQOXVBPVRG-CXJFQJJYSA-N	457.559	5.058	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	9804740	RZLFHANSYZQZRC-BPYKYCOYSA-N	460.555	5.321	10	40	JKCB	
COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1	9849702	NJJZQGMWAHDUOK-KQWNVCNZSA-N	498.025	6.212	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4cccc(C)c4C)c4ccccc34)C(=O)N=C2S1	13806249	XRHNSLVMRMWZDX-JHKOBTARSA-N	470.598	5.894	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(N4CCN(c5ccccc5F)CC4)=NC3=O)cc2)cc1	35042730	KRFUCKRVRMGTOW-NLRVBDNBSA-N	487.600	5.506	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C	35145909	JXFFHVYQJIUFLU-GXMOOAJBSA-N	463.950	5.316	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	41108147	KZOGIWZZFPYFQQ-PCHQCWAOSA-N	450.589	5.680	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848224	DHVPHLBRHROCHR-VVZHRXSXSA-N	481.017	6.284	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	98087024	JQMUSYJHZWRCIS-UCQKPKSFSA-N	492.578	5.584	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cccc2ccccc12	100525434	GHWNAYXCIDIIOQ-JMSHBIQUSA-N	456.487	5.747	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccccc2Cl)cc1	103922284	ZMONJOCYAUHMNL-JCMHNJIXSA-N	474.973	6.095	10	40	JKCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	110223410	UMBQVJJVCVGSKP-OEAKJJBVSA-N	486.911	5.327	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	223726252	KRQKEOOLHYIDDH-IZZNHLLZSA-N	476.646	5.032	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431940	XBQKFRFGYQQKCX-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224530798	ODWACGFEHMGCAR-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)ccc3C)SC2=S)cc1	408574910	GJKRGISQIAJKBZ-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)OC(C)(C)OC3=O)c2-c2ccccc2)cc1	408733686	ZODOYIMHLVNABB-UHFFFAOYSA-N	463.533	6.339	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C1=O	408760160	SPASGJWVNAZIOV-SFQUDFHCSA-N	483.343	5.168	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cccc(C)c1	408800690	QQZXWTCODCEODE-XSFVSMFZSA-N	490.943	5.293	10	40	JKCB	
COc1cc([C@@H]2Nc3c(ccc(C)c3C)[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408881968	OLJONGROESJFKK-VHSZZVNMSA-N	490.441	7.480	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2)SC1=S	409347454	PYEDVUJKRAFWQY-PXLXIMEGSA-N	476.579	5.119	10	40	JKCB	
COc1ccc(N2C(=O)C(=Cc3ccc(SC)cc3)C(=O)N(c3ccc(OC)cc3)C2=O)cc1	2532792	VQALRQLSIUEEBQ-UHFFFAOYSA-N	474.538	5.009	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2C)cc1	3393651	BDGUSHKPXLFTLE-OAHLLOKOSA-N	465.571	5.107	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S	8765569	YHDDYWULLLLSNB-SDXDJHTJSA-N	450.582	5.392	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1Cl	8820425	CDDHEGHAFYXHMX-BJXWFGTRSA-N	463.411	5.780	10	40	JKCB	
COc1ccc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1	8820555	QKICJMNTUIIMAT-AMQBKCJUSA-N	452.601	5.262	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(F)c5)c4C)C(=O)N=C3S2)c1	9193125	SWLGXQFUCKZVNZ-AXZYZTBISA-N	457.534	5.209	10	40	JKCB	
O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(N2CCCCCC2)cc1	9282666	ZARCOIPCOWCSKL-NKFKGCMQSA-N	455.583	5.052	10	40	JKCB	
Cc1ccccc1OCCCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1Cl	9762845	DZKBVKFPXAUCTK-BOPFTXTBSA-N	454.400	5.639	10	40	JKCB	
CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	12628884	NCNYFDYVRBRNDT-MOSHPQCFSA-N	450.541	6.131	10	40	JKCB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)c1ccc2c(c1)Cc1ccccc1-2	15277062	OUNBMEXASJZBCQ-UHFFFAOYSA-N	451.507	5.938	10	40	JKCB	
N=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC=C(c3ccccc3)N12	17058018	ZDSDFQVFINTHTL-YAXAZWRVSA-N	467.550	5.449	10	40	JKCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793011	LTTJJPZWSGWROU-AWEZNQCLSA-N	481.898	6.728	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	34255380	OGPLFODQEYFJSP-HGMBWOCJSA-N	453.571	5.378	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21	34716342	PJRDSTJLCGLSIV-XQNSMLJCSA-N	483.524	5.514	10	40	JKCB	
COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(Nc4ccccc4C)=NC3=O)cs2)cc1	96121186	KVURQKQZQFIJHV-UDWIEESQSA-N	464.572	5.227	10	40	JKCB	
Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1/N=N\c1ccccc1	104090918	WRLDGNLIKXZOFS-JOKXDOCYSA-N	473.522	5.273	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C	208307737	GUMREETZYZGVCZ-OOWUWCJESA-N	496.405	5.228	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4F)C3=O)cc21	223514795	IMKOGFRDEBTPNN-DEDYPNTBSA-N	461.537	5.211	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224533925	FVHNBVHPWUTGRZ-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	224570850	VYFCNIYGKMETGW-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	408539932	KQLUSGVPAUJKIJ-LICLKQGHSA-N	495.790	6.272	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Br	408601933	MGCGKZQIUMOMDS-ODLFYWEKSA-N	462.434	5.885	10	40	JKCB	
Clc1cccc(Cl)c1[C@@H]1Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[C@@H]2C=CC[C@@H]21	408737084	HZJVHLVXWQTZTL-METZIYRZSA-N	450.453	8.288	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc(/N=N/c4ccccc4)ccc3O)C(=O)NC2=S)c1	408742708	XYIKAONIKOPBRK-DYYAXNGMSA-N	472.526	5.038	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)S2)cc1	408785820	ZQLNDMBRCQXFDH-VVNKCDPRSA-N	452.023	6.218	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)S2)cc1	408786582	KYWBYGAOBXNVBX-FHMSYZJOSA-N	474.674	6.102	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1C	408811271	ASBGFQMSQDAVPD-ZVHZXABRSA-N	467.500	5.112	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)c1	408886195	FDIPREFERKUEEU-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)cc1C	408965454	HOXPODYTVZMBSO-BUVRLJJBSA-N	480.593	5.090	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409009906	ALEVVAOTMDMRPL-PKAZHMFMSA-N	482.624	6.595	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409055961	FQFZDQDINXNJJB-PLRJNAJWSA-N	457.570	5.829	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409057196	UUWFHHUVNXIFPV-JLPGSUDCSA-N	485.536	5.160	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S	409071263	IYNSDWQDHUDASF-LFIBNONCSA-N	489.405	5.877	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c(C)c1	409237015	UQDTYEUTAVYNMG-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1	409331606	NXEUWTOYXXJRHE-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O	409331823	OEYDQXRZVJTWTH-STZFKDTASA-N	484.440	6.797	10	40	JKCB	
CCOc1ccc2nc(NC(=O)CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)sc2c1	929895	SAXAUKFDXYAKHH-IBGZPJMESA-N	494.642	5.468	10	40	JKCB	
Cc1cccc(OCCn2cc(/C=C3/C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1	1305148	ZJKAZBKKXVYQHA-JLPGSUDCSA-N	499.954	5.553	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(Cl)cc3Cl)C2=O)cc1	2260361	GPHVAIINVHRHMH-HMMYKYKNSA-N	498.366	5.943	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	2277399	WVDUTPGJPKWRNQ-ULJHMMPZSA-N	489.666	6.472	10	40	JKCB	
O=C1/C(=C/NC[C@H]2CCCO2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	8443940	HMKRYJBNMFBJNS-APVMCDBPSA-N	485.034	5.097	10	40	JKCB	
Cc1cccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C\c4ccco4)SC3=S)s2)c1	8820315	XNTFYDGZLAKIEF-CPNJWEJPSA-N	483.640	5.255	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1	8821756	YTDOOBCKUNYMDY-UQQQWYQISA-N	477.029	7.344	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1	9015721	XPEPMBPPFRKPAJ-AOJNWGRGSA-N	488.927	6.114	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	9076153	PUWHSWLGZDUAMZ-DFIYOIEZSA-N	470.481	5.427	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3cccc(F)c3)cc2Br)SC1=S	9973343	RVZFGYUTMFPPSU-NVMNQCDNSA-N	482.396	5.397	10	40	JKCB	
CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	12616613	BBSXKAWCXXOBBW-QYWGDWMGSA-N	482.960	5.276	10	40	JKCB	
Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1c(O)ccc2oc3c(c12)CCCC3	19324814	UJTRVSASVXAHQX-UHFFFAOYSA-N	470.569	5.445	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C	26642516	PGBBUQDVXZEUCS-XYGWBWBKSA-N	475.635	6.374	10	40	JKCB	
Cc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1Cl	26712859	ZYRKBRJMBLISBX-BOPFTXTBSA-N	454.400	5.591	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCSc3ccccc3)cc2)SC(=S)N1Cc1ccccc1	41108559	IJORUFLCZVJTSH-QJOMJCCJSA-N	463.649	6.259	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418245	LYFOPVSHPPGYHC-FYJGNVAPSA-N	466.515	5.719	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1c(C)cc(C)cc1C	100524887	AWKYGGIXMIEMTC-QTJUSOIVSA-N	482.407	6.373	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	106684935	QAXMQURBLRMDGL-PKAZHMFMSA-N	499.035	7.651	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	106687262	HCHPQNUWUIPGFM-IMRQLAEWSA-N	470.638	7.378	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223057679	PVZULDYUCZPLLH-XZOQPEGZSA-N	489.472	5.805	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390173	ZIMYOWCIAAYPDX-SXOMAYOGSA-N	487.072	6.624	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc21	223509752	WYCIZDNYKRPBNL-OEAKJJBVSA-N	457.574	5.380	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223540775	YVMKTMUOINCTTN-VPUSJEBWSA-N	467.642	5.674	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Cl	224399740	FLSBXMWVDFAHAO-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224405654	WMSYBGXUTREZJI-RPBOFIJWSA-N	457.578	5.509	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)[C@H](C)CC(C)(C)N2C(C)C	260572521	WQOFUKVKAPLXAZ-IXOWOOARSA-N	473.617	5.779	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(Br)cc1	408533871	PKIVAWACCJCBIU-YBEGLDIGSA-N	463.173	5.547	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(OC)cc2)cc1	408759386	DEXSHIQIXCUKRJ-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1	408900447	SOIQYQYKSBOQKI-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C	409126178	DUMDRJBDDFQZJI-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl	409149320	BLZQPFNSFIFYAR-FQEVSTJZSA-N	450.025	5.355	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc2ccccc12	409400856	UPUIZWWVJSIMDD-JLPGSUDCSA-N	454.913	5.534	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)c(Cl)cc12	1565520122	NCNVYGWVKBBBHL-LVXARBLLSA-N	495.063	5.748	10	40	JKCB	biogenic
CCN(CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccc(Cl)cc1	4429030	MDPILQBVLXUFDI-RUZDIDTESA-N	496.482	7.979	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)c(OC)c1	8821874	DUSCQCGRGMZFOE-RGVLZGJSSA-N	485.905	5.608	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S)c1cccs1	9232361	DKDDNXMUFRWNAS-XNTDXEJSSA-N	479.029	5.692	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	11859514	LQJTURQEFGILOO-ZYLNGJIFSA-N	459.929	6.172	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(C)cc23)cc1	20288802	FLAJFVDTPFTCMI-RRAHZORUSA-N	494.595	5.351	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c2ccccc21	27549646	LEMRUPCFSWXAOE-VKRJAPGXSA-N	485.613	5.694	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	35212355	RBNOTZJLFOZBLT-QGUUBAPPSA-N	459.600	5.577	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2	58846186	YCTBNSGSJCGMGP-BOCWGRARSA-N	486.681	7.174	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)ccc1Cl	214325263	QCNBYQZLJJWQHF-VXLYETTFSA-N	457.866	5.674	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223802279	MDUOSDKYNPMGDC-VMPREFPWSA-N	496.680	6.682	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224622976	VATRDQZMBZGDKK-UIOOFZCWSA-N	498.608	5.158	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2F)cc1	408753312	GHCNWGWIDGRLRQ-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)c1	408779395	WDEZZJXLHBTYLU-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc(F)c1	408903135	UWOIQDGDEGIGHQ-CIAFOILYSA-N	495.348	5.982	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12	409006809	LXNINEQGWIGULQ-ITYLOYPMSA-N	452.579	6.526	10	40	JKCB	
CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C(=O)N(c2ccc(Cl)cc2)C1=S	409012029	IMWKPYNCWOUSNH-DEDYPNTBSA-N	484.408	5.656	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(O)c1	1196132	NVLZYLQBZXLBQR-WQRHYEAKSA-N	458.358	5.821	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(F)c(Cl)c1	1252307	CFEUFNPPDQEJFH-SXGWCWSVSA-N	455.363	5.363	10	40	JKCB	
Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CC(C)C)C1=O	2340048	LNQNJJOHZSFTTB-OYKKKHCWSA-N	491.682	6.492	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	8455470	NVYIPSZLOYKJNT-KSCDAYEDSA-N	491.650	5.351	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	14166010	XMSOHUHYGBUPGX-CZSZKKDXSA-N	495.000	5.974	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1	26642706	PDANYWBDRHKKII-JWGURIENSA-N	471.644	5.672	10	40	JKCB	
Brc1ccccc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21	32181008	GFWJYDYKVXVUSA-JCGVRSQUSA-N	452.133	5.880	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2cc(C)ccc2C(C)C)SC1=S	33430370	ODHQACNHHQNTHL-KQWNVCNZSA-N	485.671	6.196	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847754	VSDRVZITBMZKAQ-SRGWNRLKSA-N	489.399	6.760	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)cc1	59138819	CDOXCGRPELPWLD-XIEYBQDHSA-N	455.558	5.445	10	40	JKCB	
CN(C)c1ccc([C@H]2Nc3cc(C(=O)c4ccccc4)ccc3N=C3CC(C)(C)CC(O)=C32)cc1	104159422	SKFUFJKVFNJXTC-MUUNZHRXSA-N	465.597	6.855	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)c1	223601331	MMWNSQVZPMECKC-PGLVWIQMSA-N	473.617	5.779	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(O)cc1	223897690	BAPVCJNVTNDWPH-SVBPBHIXSA-N	483.641	5.438	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1C	224017722	INFQSXBRHJUVHK-VSGBNLITSA-N	496.636	6.012	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C	224265827	JLITUCNBSSNHIU-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224338997	GLYIKJBDGFJQTI-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O	224401740	GGRDVIKGVFYIJM-DQEYMECFSA-N	486.572	5.504	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405802	RXFAHAHQELVFNF-DNQXCXABSA-N	457.578	5.509	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224898391	GFELYUSXPRLULS-VSGBNLITSA-N	484.644	6.676	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408695432	UUAGBPMROFSETR-PXLXIMEGSA-N	474.944	5.477	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408797109	GDYGOFIIMIBMSW-FYJGNVAPSA-N	481.335	5.547	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2OC)cc1	408840770	FOGUNQPJINLPKA-CJLVFECKSA-N	477.358	5.691	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)C1=O	408866078	FNIPHOSNCGNWIO-QNGOZBTKSA-N	460.917	5.148	10	40	JKCB	
CCOc1cc(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1	408875757	HLSUNDFOYIDLSD-UHFFFAOYSA-N	462.958	5.487	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(C(F)(F)F)=NN1c1ccccc1	408972197	NGVINBGWHUDWQI-UQQQWYQISA-N	472.466	6.767	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1	408983804	CSFYSYWWGKREML-LHLOQNFPSA-N	477.991	7.877	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)OC)c3C)C2=O)cc1	408986351	PXJYJWSFHCDQPX-LTGZKZEYSA-N	473.956	6.305	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OCC)c2)NC1=S	409093263	ZPIHMUIETRXKPQ-WQRHYEAKSA-N	493.398	5.034	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)o2)cc1	409339392	UUYOOHHXUXCTBJ-WJDWOHSUSA-N	458.611	5.347	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1cccc(C)c1	409339726	LFVSGOWERPNRNW-BKUYFWCQSA-N	496.635	5.190	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	409343422	GYYBWVLLDWMLQG-HZHRSRAPSA-N	481.042	6.391	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1	409369217	ACFOFEAZRPMBES-MFKUBSTISA-N	485.609	5.024	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	1105893	NYAXZRRLPZAONS-UNVFRBQDSA-N	498.570	6.950	10	40	JKCB	
O=C(c1ccccc1)c1ccccc1NC[C@@H](O)COc1ccc(Cl)cc1C(=O)c1ccccc1	1585940	HQBVXGSETFEVCV-HSZRJFAPSA-N	485.967	5.654	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	3066829	PTCUTVJSPAJOSP-ODLFYWEKSA-N	462.379	6.668	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc(F)c(Cl)c1	9030118	YDEMTSDJVXJPFD-CXUHLZMHSA-N	499.814	5.472	10	40	JKCB	
CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1	9075585	MQBBLWBTWOWGTA-QZXCRCNTSA-N	475.614	5.758	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl	9280910	CPBJFOJDZHSBBO-HEXRROBQSA-N	474.977	5.118	10	40	JKCB	
Cc1cc(C(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(C)n1-c1ccccc1	12551158	BQGDVNPKEHOCSA-UHFFFAOYSA-N	469.972	6.559	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1/N=N/c1c(S(=O)(=O)O)cc2ccc(Nc3ccccc3)cc2c1O	38176442	BZLXFPQTLKAAKQ-OCEACIFDSA-N	494.485	5.868	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847695	GGVPEJAHKCMAKN-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1OC	58849479	JVERMSFOVCFUAH-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)c(OC)c4)cc3[C@H]3C=CC[C@H]32)c1	58849528	OXSDUUGPPIEQIC-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1	108024445	DEQJPNRMOMFIHH-MTJSOVHGSA-N	482.367	5.100	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl	217084616	PHRONBALCDINKX-DEDYPNTBSA-N	453.903	5.577	10	40	JKCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222785917	KCBKNAYOLKNBSC-LEWJYISDSA-N	455.425	5.244	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1C	223230025	ANGFEAGQERROOM-FTJBHMTQSA-N	461.679	5.030	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O	224394124	MMSOYTQBUBPDHQ-DQEYMECFSA-N	493.007	6.164	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463769	HLKHRYPESOFQKY-RRPNLBNLSA-N	487.072	6.882	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1cccc(Cl)c1	224492816	IEQDPHMMDLCADY-UHFFFAOYSA-N	480.992	5.289	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CSc1ccc(C)cc1	224666668	LJOKOWFPILJVLB-UHFFFAOYSA-N	476.642	5.657	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1	224804755	KKLVTEKSCUTIOT-WUFINQPMSA-N	498.652	5.992	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(C(C)(C)C)c1O	408532998	PDFGRYMYUOOOMY-YBFXNURJSA-N	494.509	7.700	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)C(=O)NC1=S	408961335	RRHDANKXQULQJL-XQNSMLJCSA-N	471.626	5.359	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409021319	BBCMABVRSWHECE-ONUIUJJFSA-N	497.591	6.158	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	409149158	YHARUSNHDAWSAA-QRVIBDJDSA-N	482.606	5.685	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c(Cl)c1	409161288	MKUDGDDXTDYVII-VIZOYTHASA-N	457.791	5.501	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1	409222825	XQQDMCKZRMYYKA-VEILYXNESA-N	461.565	6.162	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O	409227634	RBVPCWMJUNNHOD-XMHGGMMESA-N	477.948	5.121	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1	409242163	NCHINXPJFAAKLO-MFKUBSTISA-N	469.972	6.053	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)cc1	409242737	STZJEIOHMPBGPO-UDWIEESQSA-N	454.357	5.802	10	40	JKCB	
O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c(-c4c(O)ccc5ccccc45)c3)c3cccc1c23	781557	CIVICYXXDIQUPZ-UHFFFAOYSA-N	482.517	5.438	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S	2258662	QGNGYWXILFBWQX-JCMHNJIXSA-N	498.073	6.593	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	3367526	OQYUWAAOOXDJTR-HNNXBMFYSA-N	469.513	5.296	10	40	JKCB	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1	6019452	CHMOWOFUIVYDGF-GRSHGNNSSA-N	478.892	5.832	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl	8741392	SASCEZBLHNCZMR-GLDPYIMESA-N	481.335	6.947	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	8821346	UQZHEIFMPHOIRX-ITYLOYPMSA-N	473.663	7.322	10	40	JKCB	
Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	12345759	RTSBMFBVOKVDQR-STZFKDTASA-N	483.351	5.221	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1Cc1ccc2c(c1)OCO2	12619051	JCOVSZCIVJOVJN-JMIUGGIZSA-N	455.944	5.730	10	40	JKCB	
CCOc1ccc(/C(O)=C(/N=N/c2ccc([N+](=O)[O-])cc2)Sc2nnc(-c3ccncc3)o2)cc1	27526058	HNXYKQKZQCIZEB-UNGCUCNDSA-N	490.501	6.199	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c1C	59198413	DXCWLYHJFBWPMS-FYJGNVAPSA-N	492.373	5.926	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)cc1	59536733	XRUQBVZPFOXIFS-MYYYXRDXSA-N	488.609	6.633	10	40	JKCB	
CCCCCCc1cc(/N=N\c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(O)cc1O	104090776	MZLFIOSNNBVWRF-RQZHXJHFSA-N	469.567	5.535	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)ccc1Br	144212721	PUPHJQXLBVMCOM-BKUYFWCQSA-N	467.388	6.406	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223233357	WBBUUHZEOSNXKP-BDYUSTAISA-N	475.706	5.284	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467714	QBJDKXWMPXPRJP-IAPPQJPRSA-N	481.669	5.928	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1C	223500828	YYQMRIUZEJTRPA-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018522	RAVAQFHGQMEVOP-WUFINQPMSA-N	496.636	6.012	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224535509	UXRILWBVMKFMLF-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1	225504450	XDTYIGDYYNYGRX-KAYWLYCHSA-N	499.615	5.239	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)cc1	408805226	FBEQRDYIKHIKJH-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	408870021	UXYIARWRIGYPBV-UYRXBGFRSA-N	464.880	5.033	10	40	JKCB	
CCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408876880	QUVKXMFGOKWUDP-UHFFFAOYSA-N	462.505	5.822	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408972897	WTGJWKKPTKLXDW-ONUIUJJFSA-N	495.504	7.191	10	40	JKCB	
CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl	409043068	PMSWGQCTVXOKFX-NTUHNPAUSA-N	467.736	5.348	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409099481	NSAMZILJAVCOFB-YBFXNURJSA-N	458.320	5.633	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)cc1	409200547	IDIKBSZLNZCAJS-OGLMXYFKSA-N	490.653	7.557	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409241362	RURRYPCHSWGPII-SFQUDFHCSA-N	484.408	5.541	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	409334993	YLTHNNDIIUPZAE-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)cc1C	409345843	LPBINVDWWHSLOW-RGVLZGJSSA-N	470.959	6.531	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12	409351155	ZQIMAISJUAVPCS-XKZIYDEJSA-N	492.965	7.067	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	2280949	CTALCHYOFNFDIT-CPNJWEJPSA-N	478.561	5.888	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc6ccccc56)c4C)C(=O)N=C3S2)cc1	4090333	DLQPDNOSFQPITL-LLIKLIDUSA-N	489.604	6.223	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc2ccccc2c1	8819693	PGOSVTAVDCGDEM-QJOMJCCJSA-N	460.624	6.240	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4cccc(C)c4)c4ccc(C)cc34)C(=O)N=C2S1	9763739	JSXMSVIDJRRVIG-STVRALQESA-N	455.587	5.644	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	9805655	WSZIGHCIPKJXTR-UZINWLIJSA-N	452.450	8.421	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	9884842	QPDSSHJJXVWYJS-KNGSKEOJSA-N	487.546	5.373	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1	20037486	TWCJBIDFXWJHLE-NEAWXCLQSA-N	454.555	5.407	10	40	JKCB	
CC(C)(C)c1ccc(OCCCn2cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1	33349120	RUSOBYVFVPLLOQ-FSWFDUBRSA-N	485.613	5.657	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C2=O)c1	208328286	JYOFCBBYZPGFJV-UEIZDATPSA-N	475.589	5.172	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223615508	SMWVHMCBHRXBKV-QHSFOXILSA-N	491.657	6.171	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223974160	ZPZDPTXRBIMZOL-KAYWLYCHSA-N	499.615	5.764	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C	224268212	KNLIPOOQOMKWHG-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224531717	PGYMOCZZAKIBJO-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1N1CCCC1=O	260742676	YBFNDYFCYQRNFL-ICSRJNTNSA-N	450.652	5.406	10	40	JKCB	
Cc1ccc(NC(=O)c2cc3ccccc3c(N=Nc3cc(S(=O)(=O)O)ccc3O)c2O)c(C)c1	263602175	LZBFYQQOKGIGIS-UHFFFAOYSA-N	491.525	5.782	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(OC)cc3)C2=O)cc1	408759871	NFWBGYLNBMLKAS-PXLXIMEGSA-N	491.341	5.079	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	408787327	XTACFYGXVMSRAI-DEDYPNTBSA-N	467.308	5.239	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409059305	MIDDUAPICQNCIX-QQXSKIMKSA-N	470.569	5.597	10	40	JKCB	
O=C(O)c1ccc(COc2cccc(/C=C3/C(=O)N(c4ccccc4)N=C3c3ccccc3)c2)cc1	409084856	QTDPLKWJRGPVQW-ZXVVBBHZSA-N	474.516	5.798	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1	409201854	OOSBRKSSAVNDFV-PXNMLYILSA-N	455.344	5.706	10	40	JKCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409244196	ZFVYRWVYHQLKNY-KOEQRZSOSA-N	476.598	5.746	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)c1	409245757	YTCHVSYXCNIOFQ-SRZZPIQSSA-N	482.353	5.397	10	40	JKCB	
Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN(C)C[C@H]1CCCN2CCCC[C@H]12	1565520636	ZLLVABAJBJUAOJ-ZEQKJWHPSA-N	474.645	5.403	10	40	JKCB	biogenic
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1	9168816	BEKTVDJDVMXKEB-WOJGMQOQSA-N	455.297	5.537	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	14010083	XSWFHNMYUKNAJG-IWIPYMOSSA-N	460.961	5.933	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1Cl	16732645	AHNBAQPXXTYGLO-MOSHPQCFSA-N	470.019	5.813	10	40	JKCB	
Cc1nn(-c2ccccc2)c(Sc2ccccc2)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	16735060	NEXUTFUDJDRYFJ-ULJHMMPZSA-N	499.686	6.733	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(CC)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1	20238553	UAGVFIYPJBGJCV-MOSHPQCFSA-N	475.457	5.323	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1C	33892059	LEINYBVSYYRSSV-JRRXTTBFSA-N	473.627	5.634	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)c(OC)c1	35039198	CEUUIJNWKYCSQM-ZVHZXABRSA-N	477.607	5.997	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1Cl	35386881	YIUQHQBSOAEVPR-FNARYYANSA-N	488.016	6.032	10	40	JKCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/c2ccc(F)cc2)cc1	100143859	PQDDITXBNZSHIT-XSFVSMFZSA-N	459.571	6.322	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1C	100524911	HIZXQWBCGCCQIG-IUBFCHALSA-N	454.899	5.555	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21	208239595	UTDBAMFPTJIKTM-RKPNYOAGSA-N	471.985	5.032	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	224226044	MLCGVPWERLAHCQ-UIOOFZCWSA-N	489.088	6.852	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224300403	DHMMZZCDZUVICS-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224335720	KRBQTUGRRRXUKN-SXOMAYOGSA-N	487.072	6.882	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(O)cc1	224870880	AGGXVMUDBIFLAC-RPBOFIJWSA-N	491.016	5.731	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(=O)C(C)C	260746353	WJRKZFDXXSQBLR-RBUKOAKNSA-N	489.707	5.279	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	408572399	GSNBQRDQZYMIQG-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1	408576217	UJXONTONFDKXAF-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c(C)c1	408578612	ZGWRRGSGPDDIJM-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)C2=O)cc1	408784650	VPRLBHFVUVIDFA-WPWMEQJKSA-N	485.543	5.818	10	40	JKCB	
Cc1ccc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	408869672	STGJMCBNKQXWJH-UHFFFAOYSA-N	488.543	6.157	10	40	JKCB	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1	408984585	IHZYXPCZRXCZLB-DEDYPNTBSA-N	464.348	6.641	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1	408984980	JVNIIBQAJFYHDP-HMMYKYKNSA-N	459.929	5.997	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S	409122878	CCXBHWSBDUDKDR-KQWNVCNZSA-N	466.628	5.266	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1Cc1ccco1	1301606	ZCEXGYJMEXWFRW-BKUYFWCQSA-N	461.543	5.673	10	40	JKCB	
Nc1c(Sc2ccccc2)c(Sc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O	6446684	LSAVWOJOLBIJGU-UHFFFAOYSA-N	454.576	5.929	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	9291653	PORIJWTYRIRGTB-ZJRBDENDSA-N	461.635	6.301	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1	16678643	RQZUEHSUPTUAQB-UHFFFAOYSA-N	462.550	5.607	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	17167676	CBXMCKFQJGCLMR-QETRNLNESA-N	489.015	6.490	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)cc1	59229132	WJBMRERKZMGXQI-UDWIEESQSA-N	461.315	5.321	10	40	JKCB	
O=C1N(c2ccccc2)N(c2ccccc2/N=N\c2ccccc2)C1(c1ccccc1)c1ccccc1	100369476	BSRDKFMQOMLMSE-YHZPTAEISA-N	480.571	7.814	10	40	JKCB	
CC1=CC(C)(C)N(C(C2C(=O)c3ccccc3C2=O)C2C(=O)c3ccccc3C2=O)c2ccccc21	100668871	FGXBSDYXEAEZSN-UHFFFAOYSA-N	475.544	5.448	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)cc1	208239700	JHSRWMOVZHHNQP-QZDMBBGESA-N	454.039	6.707	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2C(C)=CC1(C)C	208514364	ZYCVKEJVLZMXSB-SFQUDFHCSA-N	484.383	5.682	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012171	INBUMDKIROLIBI-SVBPBHIXSA-N	482.609	5.703	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)c(Cl)c3)C2=O)cc1	408766858	TUQAJPWLKZNYQN-ATVHPVEESA-N	466.320	6.172	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccc(C)c(C)c2)c1	408809341	NXCBOPWDHIODOB-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(C)c1OCc1ccc(Cl)cc1	408850030	DBORMGPQIBSSOP-HYARGMPZSA-N	466.027	6.942	10	40	JKCB	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409004014	WCWRHUOTZITGML-QBKUVYRMSA-N	456.546	6.403	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2C)ccc1Br	409129329	GILVOICTNZXQCW-HDOAHBKWSA-N	491.476	5.545	10	40	JKCB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cc(Br)c(OC)c(OC)c1)N2	409161764	AVXRBUSIYVGDMW-VLXJIEOASA-N	478.770	5.733	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O	409231772	MECUMOQFLZWNDC-KQWNVCNZSA-N	452.576	5.109	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)o2)cc1	409342658	FAIRYOMMMASYMJ-UDWIEESQSA-N	484.396	6.318	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(C(F)(F)F)c1	2302589	QBVZIEHMPONAPD-YBEGLDIGSA-N	470.925	5.589	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1	2671995	OPOAYVLTPPQVRG-UCQKPKSFSA-N	487.581	5.746	10	40	JKCB	
C[C@@H]1c2ccccc2Cn2cc3c(c21)C(=O)c1cccc(O[P@@](=O)(O)OCc2ccccc2)c1C3=O	3954654	UXTSQCOOUJTIAC-QGZVFWFLSA-N	499.459	5.473	10	40	JKCB	in-man
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1	4003799	DNXTXNYDHDNNII-PPJWLVRDSA-N	491.569	5.621	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1	6177847	XSYZQOCURQPQOH-UHFFFAOYSA-N	461.521	5.678	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	8951899	WGDVGOJDNPECFL-KXYLLZDBSA-N	492.601	5.189	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9309083	RJDRRLWMJNDVLV-DSITVLBTSA-N	498.922	5.271	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3)C2=O)cc1	13685473	IGMALDGGAZAJGC-VZMLSGIISA-N	457.530	5.587	10	40	JKCB	
CCOC(=O)COc1ccccc1/C=C1\C(=O)N(c2cccc(C(F)(F)F)c2)N=C1c1ccccc1	15932038	WQYMBCAGOVQGTL-JCMHNJIXSA-N	494.469	5.482	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OC)cc1OCC	59435715	HBJWEDYRTRRLFY-ZHZULCJRSA-N	455.938	5.405	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Nc3nc4ccccc4s3)C2=O)ccc1OCC(C)C	98002368	HCQRCOCRORSYIE-YBFXNURJSA-N	471.629	5.568	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	100270870	ZMXNFHLMGDSOCI-CIAFOILYSA-N	471.771	7.032	10	40	JKCB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)cc1	101212911	MKHNEAQWPHFKIP-GIWBLDEGSA-N	499.350	5.149	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1	102625333	DRXJQUOAHOLMIG-RGVLZGJSSA-N	487.865	6.273	10	40	JKCB	
CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)cc1	102873251	HBRIMKMFLDBAPG-KCWXNJEJSA-N	455.577	7.301	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Br	222615214	VJTKDLHFURSKNM-ITEAAPOESA-N	467.436	5.841	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223059478	YJFWXPCPSDKFNM-BJKOFHAPSA-N	469.054	5.460	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21	223494677	UORFHJKKBSQHHE-QRVIBDJDSA-N	493.604	5.911	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1	223758400	JPIYYVKMERCAMN-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C	224269214	IQGOKXYABTVKPY-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1	224867852	IFNMPECPTSUJAR-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260572431	VHZODYBDWMHQNR-IXOWOOARSA-N	475.658	5.635	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1	408784165	TUJILOYVRKTQGS-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	408802712	GJMJNMNDRZUXRH-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)c(OC)c1	408843756	SEWAUWLPQPAKQS-FYJGNVAPSA-N	481.321	5.440	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cccc2ccccc12	408879990	IBMOKKWDFFOVSK-MYYYXRDXSA-N	499.567	6.061	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409012771	KNDWACRABDVBHL-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc2ccccc2c1	409038325	VHYUDMQSIQPQEI-MYYYXRDXSA-N	477.651	6.675	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409057641	VUDTXUWIUJUEPU-MTJSOVHGSA-N	499.369	6.417	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409062069	MTCQSNUDIGWQNH-QQXSKIMKSA-N	468.597	6.205	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	409170320	UILUKSUQJVHRCM-WOVHNISZSA-N	463.002	7.675	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	409232457	HZWPRGPRHBAMNC-SSDVNMTOSA-N	471.409	6.946	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)cc1	409243244	QZNICLICOMXBBN-SRZZPIQSSA-N	454.357	5.802	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1	409352127	WGNRMXPMDJEGSJ-HAHDFKILSA-N	491.594	5.646	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC1=S	409376578	ZQRIESGZBCACGG-SXGWCWSVSA-N	469.371	5.702	10	40	JKCB	
COc1cccc(OCCOc2ccc(Cl)cc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1	8453082	YLDQXKJPYBQPBC-NJABPNOBSA-N	498.992	5.082	10	40	JKCB	
CCN(CC)c1ccc2c(c1)OC1=N[C@@H](c3ccc(Br)cc3)n3c(nc4ccccc43)C1=C2	8741384	WCXWYPYIFKPRLL-RUZDIDTESA-N	499.412	6.537	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	8821603	MKXWETPHYLHIFU-DUQSFWPASA-N	466.068	6.606	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCCCOc2ccccc2Cl)SC(=S)N1c1ccccc1	9113152	UZACPXTZVKFQRJ-QJOMJCCJSA-N	482.026	6.594	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C=C(c4ccc(Br)cc4)OC3=O)c3ccccc32)c1	9934452	XICYMRFCLVSQBR-KGENOOAVSA-N	470.366	6.742	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(/C=C/c3ccc(Cl)cc3Cl)n2n1	12955311	AWWMCOZNWYBMCP-SOFGYWHQSA-N	465.409	7.343	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	13286032	CVECWVFHIQRRNU-QRVIBDJDSA-N	460.364	6.803	10	40	JKCB	
COc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1OCc1ccccc1	36245368	RCKDNASAROYDBO-HHHXNRCGSA-N	463.537	6.125	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)c(C)c1	41082970	GNCQSTLIPGEVLJ-QGNOBFDASA-N	476.602	5.427	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	58845578	JUEIKQXYVMFDLY-GLDPYIMESA-N	471.409	6.621	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1C	58846594	WEQADVPQAWVENV-UZINWLIJSA-N	474.582	5.629	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2[C@H]2C=CC[C@H]21	58846988	NZMRJRADGZSFEV-ATLLOTDBSA-N	450.535	5.462	10	40	JKCB	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	103679518	RYGJFADJFDLOCL-HHJKRLRDSA-N	450.796	8.780	10	40	JKCB	
CCN(Cc1ccccc1)c1ccc(/N=N\c2cc(Cl)c(S(=O)(=O)O)cc2Cl)cc1	104221380	RBSXUHSLINSOEF-IZHYLOQSSA-N	464.374	6.682	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)S2)cc1	208519364	AAULWTGKVPXFST-IWIPYMOSSA-N	461.631	6.498	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222965545	FJSMSPVTXHRZCY-GOTSBHOMSA-N	483.479	6.024	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(F)(F)F	223266213	LVKLBVZZNNFCBM-PKTZIBPZSA-N	487.595	5.042	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223425771	ZFPZOWAEKKYXLD-WDYNHAJCSA-N	496.680	6.287	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Cl	223536157	SVRGTOFAODJWTD-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	223995851	CAGZJQJHOISZIP-CLJLJLNGSA-N	467.598	5.316	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224238829	PAZBGOMTTSRGLI-IAPPQJPRSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc2ccccc12	224397259	IGBPBCZIGJZBFI-VMPREFPWSA-N	492.623	6.959	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224868170	SVPNJNDWKCVADA-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	408576685	QJFPCFDLBDBCNK-HMAPJEAMSA-N	476.579	5.119	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1	408755882	SDFJAJLFRUYTQE-DEDYPNTBSA-N	466.266	5.331	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c1C	408777007	UNYNGIWIJMVDOE-FYJGNVAPSA-N	492.373	5.140	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1ccccc1Cl	408866508	HAKWYPYMMZTDLO-KGENOOAVSA-N	474.944	5.304	10	40	JKCB	
CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1	408935634	IERWGMUSXAQJEQ-KQWNVCNZSA-N	490.943	5.374	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1Cl	408986885	NNCOLQIJCOGLIL-YBEGLDIGSA-N	486.267	5.136	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409061053	ZULOOEALESJNIS-XYGWBWBKSA-N	498.579	5.062	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC1=S	409133178	PAJLQNFUTBTORT-JCMHNJIXSA-N	487.046	5.611	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1	409326877	FUXGWJMHBZCNJT-XDHOZWIPSA-N	470.959	5.155	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409330707	LGPGFURTINTBOV-VGOFMYFVSA-N	489.641	6.271	10	40	JKCB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1Br	409345059	JZKZQPWGGFRLIK-DEDYPNTBSA-N	469.429	6.074	10	40	JKCB	
CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CCC2=CCCCC2)cc1	1340108	BCSSABYHLQVIAI-UHFFFAOYSA-N	495.092	6.891	10	40	JKCB	
CCOC(=O)C1=NN(c2ccccc2)C2=NC3=C(CCc4ccccc43)[C@@H](c3ccc(N(C)C)cc3)N12	2181126	LFUGEEUWVQPFHA-HHHXNRCGSA-N	491.595	5.220	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1	2966208	RNAPEHGGBRWTBO-PDGQHHTCSA-N	478.433	5.648	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1	9434110	VBNDEWFHVMGQFC-CLCOLTQESA-N	494.682	5.158	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	13809807	QSPZGYTZNMFLFC-ZEAYLUBASA-N	495.604	6.066	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	16216716	OELACFBKJBOYIY-UCQKPKSFSA-N	482.026	6.329	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N=C1O	34865590	CZKJCQOFQNDXEP-OQLLNIDSSA-N	478.376	5.713	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	223041568	SKQANPZJEDEFTD-PKTZIBPZSA-N	471.070	5.376	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224206824	XRVDWVVJDKSMPK-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224209089	IZUFCNBVPDCNFJ-LOSJGSFVSA-N	453.615	5.678	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(Cl)cc2)cc1	408765475	WFKBPDGLMXGQPI-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)cc1	408773135	GOTXXITXZVDQMA-FYJGNVAPSA-N	492.373	5.140	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O	408873413	QSWYPRVSHKUMOY-JWGURIENSA-N	480.495	5.533	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)C1=O	408889086	DMLWRSNYGDUHJD-HMAPJEAMSA-N	488.971	5.765	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c1C	408965846	JATHZQZYLXVSNJ-FYJGNVAPSA-N	463.990	5.141	10	40	JKCB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	408999474	CZCPANKWIKJFGN-ZGGJALHESA-N	464.591	5.742	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(OC(C)C)c(Br)c1	409029926	DDLCQSYRKWIKIJ-WDZFZDKYSA-N	489.238	5.738	10	40	JKCB	
CCOC(=O)Cn1c(C)c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21	409037735	YUHUWVKLDHNZPZ-ZROIWOOFSA-N	491.416	5.014	10	40	JKCB	
O=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)C(c2ccccc2)=NN1c1ccccc1	409079830	BPQSWNIUIUJCJU-QQTULTPQSA-N	480.545	5.289	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)NC1=S	409108324	WASACEUTZZWIRT-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)NC1=S	409127138	GZLRIUAQHBKSTQ-UNOMPAQXSA-N	454.393	5.087	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)c(Br)c1	409249480	UHLAXHSMJSVWMO-PDGQHHTCSA-N	495.398	5.466	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9232821	JGCZWUAGRATXCK-AWMDUDEPSA-N	487.560	5.218	10	40	JKCB	
O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1	9260622	KMPHNULCABOPCQ-RUZDIDTESA-N	474.520	5.829	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)cc1	13809767	DFBQKMWRGZAWTN-CQKUFZHESA-N	474.589	6.302	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	13942087	APRGYPOHPLUEEI-GZTJUZNOSA-N	471.694	5.029	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1	16216719	RGBAMBMLLNTWIU-UCQKPKSFSA-N	465.571	5.815	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(Br)cccc4[C@H]4C=CC[C@H]43)cc2)cc1	20058216	YQXIDARBAXXGPW-IMSXRSKXSA-N	466.806	7.508	10	40	JKCB	
Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c3ccccc32)c1	20059451	OSYZUGKIVQDFLC-XHLNEMQHSA-N	484.599	7.556	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1	27018092	DCTHCYZXHDJCKP-QJOMJCCJSA-N	458.587	5.394	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	33675828	GWLVSLNONKYZDL-JCMHNJIXSA-N	466.628	5.546	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c1	83326821	LQAAJPGASWGRSB-CIAFOILYSA-N	481.982	6.023	10	40	JKCB	
O=C(CC(=O)N1N=C(c2ccccc2)[C@H](/N=N/c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl	102920794	FKVLWOJNRCWKPA-XHWLHZJSSA-N	494.338	5.248	10	40	JKCB	
O=C(NC1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12)c1cc(-c2ccccc2Cl)nc2ccccc12	104480048	RMLONFKGBLFJLP-ZBLYBZFDSA-N	490.946	6.050	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1C	106684491	RLVDAAAYONXSKZ-QRVIBDJDSA-N	450.991	6.601	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	222971130	HCFQCHKGGVKHIR-BJKOFHAPSA-N	479.606	5.179	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223459407	JIZGCXZNDYMGTG-SXOMAYOGSA-N	467.642	5.619	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21	223495892	WJKGMMHOCIGSQB-XKZIYDEJSA-N	493.007	5.282	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501597	GKEASMFUWUHFSX-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1C	223559076	KILWEOZARHSDQV-WQZUMXOESA-N	459.590	5.470	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223893775	XIVFYWLXEOOFAB-VSGBNLITSA-N	481.669	6.041	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224202481	WJLHQWVCOAKSJI-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224302429	PWLYUJBPTVLCCC-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224530566	MFTNPYXPFMIJAZ-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1I	408741016	GNCDDCQUNFQPIE-MDWZMJQESA-N	483.099	5.044	10	40	JKCB	
Cc1c(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1	408856718	QWBZEZPMQNUMSQ-XDHOZWIPSA-N	498.764	5.176	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)c1	408872679	OBVVVTKLYJLYRL-KOEQRZSOSA-N	494.978	6.367	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(Cl)c4C)C3=O)o2)cc1	408985405	LUZWJEIJAXIYQP-HAVVHWLPSA-N	495.962	7.166	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	408997031	LAGDONQPKWGTSG-DHDCSXOGSA-N	467.146	5.633	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409062491	VOXNIOVYYZSRBJ-XYGWBWBKSA-N	456.542	5.288	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1C	409201545	MGDUGJGKMBIOTH-NDENLUEZSA-N	463.540	5.805	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4/C(=O)NC(=O)N(C5CCCC5)C4=O)c3C)cc2)cc1	409205577	QTMAQHWHDWLGFZ-ONUIUJJFSA-N	499.567	5.299	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)cc1	409233422	SCQCNUYAAUXXJH-YDZHTSKRSA-N	478.390	5.566	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)cc1	409339765	YAGBFMYPCRQQLM-MYYYXRDXSA-N	487.625	6.301	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1Cl	409343292	DNSGAJHWUANCBI-LICLKQGHSA-N	482.410	5.337	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OCC)c1	864736	HPTADVWOIGAKMF-UHFFFAOYSA-N	472.566	5.232	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	8821301	QSMRUDFESZURFI-JCMHNJIXSA-N	495.025	5.394	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1	8821833	JUQBDRHNLKFWHY-UDWIEESQSA-N	482.359	5.750	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	8821870	UDDVSZFTZOKARE-VCHYOVAHSA-N	469.862	5.289	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	9159141	AEGNYQSJLKYAIW-IEHORWCKSA-N	451.621	5.547	10	40	JKCB	
COc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O	10058975	HQSFEXHMGAEBCO-MLCYQJTMSA-N	465.413	5.805	10	40	JKCB	
CC(C)=CCc1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c3oc2c(O)c1O	14763943	UVAAZIOBAWMBHC-UHFFFAOYSA-N	464.558	6.295	10	40	JKCB	biogenic
CCN(CC)c1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)cc1	16678573	ULVWUQIZMKVOPS-UHFFFAOYSA-N	466.006	6.725	10	40	JKCB	
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OCc1ccccc1	16916080	SDEGIRSKVUQEJJ-PJGGMPLZSA-N	478.552	6.578	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)ccc1[N+](=O)[O-]	27519530	VZHGQPBAEITIFG-ODLFYWEKSA-N	490.484	6.588	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	33572122	KSXMIIYFEUJUQQ-FSWFDUBRSA-N	467.598	5.632	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)cc2Cl)c1	41108857	BRDVBDZBEGPKOH-QNGOZBTKSA-N	476.916	5.613	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139080	YNYKJXMTYCTZMP-JJIBRWJFSA-N	466.468	5.978	10	40	JKCB	
Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(Br)cc3)C2=O)ccc1Br	59859801	WSASNMNXLOTYGY-NTEUORMPSA-N	464.113	5.027	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223121874	DPSHEDUPZXMQLF-FTJBHMTQSA-N	488.657	5.581	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1	223489123	ARWMYKLZNXIHJI-HZHRSRAPSA-N	457.574	5.326	10	40	JKCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223686084	RWOFIYBFHBXIRR-RRPNLBNLSA-N	484.625	5.178	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1F	224892346	XRWZOBTVUSXQEO-LOSJGSFVSA-N	457.578	5.509	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1Cl)Nc1ccccc1	408575385	OCMKSDPOCSGYRG-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCC(C)C)SC2=S)c(Cl)c1	408600456	ZBGLJSSOYLDQRH-YBFXNURJSA-N	461.008	5.229	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1	408983844	DMUOCKNYRVTGTQ-XMHGGMMESA-N	450.763	6.882	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409017384	NWDFJXOWUPHLGC-MSXFZWOLSA-N	494.374	6.450	10	40	JKCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O	409064074	BMSGESPRJZNNBC-OEAKJJBVSA-N	450.535	5.868	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	409164324	GVEODNJPXAIZPA-JAIQZWGSSA-N	453.903	5.843	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409185612	NKBORLCMCSBUKS-SOZUMNATSA-N	455.179	6.600	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Cl)c1	409349117	UOJRNRKIAGSEDI-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1c(Cl)cccc1Cl	2852215	IRJHAVNLKKCYKD-ODLFYWEKSA-N	468.427	6.192	10	40	JKCB	
Brc1cc2c(cc1[C@@H]1Nc3ccc(I)cc3[C@H]3C=CC[C@@H]31)OCO2	6445373	RIVTWYVNCSCPEQ-SYTFOFBDSA-N	496.142	5.609	10	40	JKCB	
Cc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1	8916248	OTJDMMUTXMOILX-JLPGSUDCSA-N	479.598	6.306	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)c1	9282603	YMZGAPHTCWLVJC-MBTIHVDPSA-N	469.570	5.101	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	12374277	JJDCBRHZQBCPCB-MTJSOVHGSA-N	462.336	5.458	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1	13805541	LRYIBLISGFXSPD-BIRLBKGPSA-N	485.638	5.913	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=O)N=C(O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1	13810576	PVAWLDRXZPCZCP-MYYYXRDXSA-N	463.537	5.486	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	14010591	YSQJJVGWXAHNLQ-GTBBCORBSA-N	489.399	5.253	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(-c2ccccc2)cc1	16676008	AFSVQUTULJXFFP-CJLVFECKSA-N	479.026	6.237	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	26531659	IRMWWONYJGHRQL-UBYSGRDGSA-N	496.702	5.019	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1CCOc1ccccc1	33424504	CXEXAQLYQFDTDW-WWKAASCYSA-N	497.502	5.210	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)Nc1ccccc1	33766040	RDMGIAJAUUHXBJ-HAHDFKILSA-N	473.554	5.104	10	40	JKCB	
CC1CCN(C(=O)C2=CN(c3ccc(F)c(Cl)c3)c3cc(Cl)ccc3S2(=O)=O)CC1	49003996	KORZHROLGJJXCT-UHFFFAOYSA-N	469.365	5.158	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	58847038	XSRRBJPWVFAQMH-YYULODDRSA-N	495.532	5.370	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850238	RURYCIPBJZNNPV-RHGYRFJNSA-N	489.399	6.760	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	59194105	KSZQIXBGCYFDSV-WQRHYEAKSA-N	469.324	5.042	10	40	JKCB	
O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1	59514603	WPMBWGCZOPBQGN-CIAFOILYSA-N	493.522	5.697	10	40	JKCB	
Cc1cccc(Nc2ccc(Nc3cccc(C)c3)c3c2C(=O)c2c(O)ccc(O)c2C3=O)c1	98214397	OCZLACZXYUWXDJ-UHFFFAOYSA-N	450.494	5.977	10	40	JKCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1nnc(-c2ccc(Cl)cc2Cl)s1	101113884	RQKSMVUTPGTKPQ-MHWRWJLKSA-N	458.374	5.847	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21	208243163	LHLKGZKOLAAOBQ-NLLJVSSUSA-N	460.430	6.798	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1C	223540332	XJTZDGINZKPRGY-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224602114	HWPBHEMMAHJFFZ-SVBPBHIXSA-N	468.626	5.934	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609436	YIHKKHGPQVDQPF-XTEPFMGCSA-N	482.653	6.243	10	40	JKCB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)O)n[nH]2)c1	408635057	YIWIUUOPVUQJAE-UUYOSTAYSA-N	494.548	5.253	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)cc1	408755155	MPXOJQIWNHRMAG-RCCKNPSSSA-N	458.970	6.706	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1	408820749	ZOCMOLBJVBXCSF-UDWIEESQSA-N	481.980	5.280	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1	408984314	GMUKXLYLOLILQQ-QGOAFFKASA-N	480.347	6.562	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	408984724	JJTXHOCHAHJFQA-XMHGGMMESA-N	466.364	6.872	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S	409198200	ZPRNIRGVZMTOHA-OYKKKHCWSA-N	492.069	6.607	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(=O)OC	409345355	LLKISOGSPWUMCR-RQZCQDPDSA-N	498.409	5.350	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	2165251	QJMBUQGKXBMZME-MTJSOVHGSA-N	467.934	6.205	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1-c1ccccc1	3299517	IMQYXHIMOYLZQF-UHFFFAOYSA-N	451.737	5.850	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)c(OC)c1	8749790	MQBLOCNKGDVOMT-HYARGMPZSA-N	464.974	5.936	10	40	JKCB	
CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)cc(Br)c1O)Nc1ccccc1-2	8763963	NPSLUIBWTBIGJO-INIZCTEOSA-N	465.760	5.275	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)cc1	8821681	ZHPRDYNXGKLTCD-IWIPYMOSSA-N	457.555	5.615	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	8984151	CSLQRYXVWPSKCC-WQRHYEAKSA-N	465.905	7.025	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1C	9425568	DUFFMALRGIVXBD-JLPGSUDCSA-N	496.053	6.820	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)=C\c1ccccc1	9444421	ACIZANJYQHPLIQ-RZTVDGLLSA-N	462.518	5.492	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(Br)cc2[C@H]2C=CC[C@H]21	9763513	VKZZRLANCOJLOD-VEVIJQCQSA-N	453.149	6.186	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c3ccccc32)c1	12285447	YXYCUNPDUAVQQC-CQKUFZHESA-N	474.589	6.302	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1Cc1ccco1	33352777	ZRRMZDUBQXAMMI-ODLFYWEKSA-N	494.334	6.092	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1F	33625742	KAWFBMPHJNBJQW-FDUAJKPBSA-N	461.497	5.040	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl	39556254	YCUZGSRILHAXGF-OEAKJJBVSA-N	476.363	6.402	10	40	JKCB	
Cc1cc(OCCOc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)ccc1Cl	41082978	RKZPBGVMASXXFQ-ICALIKLASA-N	497.020	5.771	10	40	JKCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCN(c5cccc(Cl)c5)CC4)c3oc2=O)cc1	41585337	IJMMECWYWJGQBF-UHFFFAOYSA-N	490.987	5.458	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1	58845921	WKSGNUHGAIHPFT-DFIYOIEZSA-N	450.991	6.276	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S	113838031	BVKIXIWMCWRTHR-RGVLZGJSSA-N	461.439	6.608	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)N21	222695551	NJYRCDLQUFTRGJ-MQNAVGNWSA-N	470.564	6.487	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222963030	UYVVPNADPLKGBM-XZOQPEGZSA-N	472.580	6.281	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	223054655	HNCGDEBDRTUIQE-GOTSBHOMSA-N	499.478	5.261	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313055	CHLXRZPYEXQHPC-NZJKTDFXSA-N	460.647	5.257	10	40	JKCB	
FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1	225956665	FOKNQVCKWKPAJZ-UHFFFAOYSA-N	473.524	5.375	10	40	JKCB	
CCc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)N=C1C	408536664	XEJPEYJZCWSJIB-ONUIUJJFSA-N	484.600	6.344	10	40	JKCB	
COCCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(C(=O)OC)=C1C	408772541	MSJNLPIVBJRXPB-AQTBWJFISA-N	477.388	5.110	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1C	408808600	QILBHPAETODZDT-LPYMAVHISA-N	495.362	5.856	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1	408844716	PDZICXSHCVFMRK-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	409046792	MEMUBZPEWYHAJA-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S)c1cccs1	409350042	WZSWINHRCMOXGZ-UNOMPAQXSA-N	470.572	5.012	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1Cl	409383662	ZFXABMGVTGAWMU-XRVIQIRUSA-N	498.796	6.168	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc23)C1	1913344	CABJPKLEZUYNKQ-CYBMUJFWSA-N	451.872	6.070	10	40	JKCB	
COc1ccc(CNc2cc(Nc3ccc(OC)cc3)c3c4c(onc24)-c2ccccc2C3=O)cc1	2294441	PDPRISTYKZVBBI-UHFFFAOYSA-N	477.520	6.412	10	40	JKCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12	2833143	HPMGZKGLHWGFBX-JXFDPVBFSA-N	493.397	5.088	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1	2844334	LYNNKQPWLGPJLJ-UCQKPKSFSA-N	481.570	5.828	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3285912	HKUZKGXROSOAKO-UHFFFAOYSA-N	468.283	6.042	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1-c1ccc2c(c1)OCO2	3358464	TYJYOEOBGBRCOJ-UHFFFAOYSA-N	453.470	5.477	10	40	JKCB	
CCCCN1C(=O)/C(=C\Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N(CCc2ccccc2)C1=O	8431315	MMERNFKXRFJTIU-JQIJEIRASA-N	494.806	5.776	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1	8741492	WGHSYYILDCYTAB-XKZIYDEJSA-N	473.891	5.989	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	9057247	LTCLIYRJZLYMDN-UOLRQISWSA-N	490.947	5.726	10	40	JKCB	
CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)ccc1Cl	12411218	HLKAIBXOSOXWEF-XSFVSMFZSA-N	492.915	5.142	10	40	JKCB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1Oc1ccccc1	12563335	TVKHJZYOFYYYDD-UHFFFAOYSA-N	477.472	5.050	10	40	JKCB	
COc1cc(C)ccc1OCCn1cccc1/C=C1/C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O	13751566	CZDUJWHNJARNCI-XSFVSMFZSA-N	493.947	5.353	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	13799908	CSFINFIFGOGTOC-YVLHZVERSA-N	451.400	5.532	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccco1	16688809	JPSVYDBNPJLKLQ-STZFKDTASA-N	465.552	5.299	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@H](N1CCN(CCC3OCCO3)CC1)Cc1ccc(F)cc1S2	19802408	IQBYKZJJFMWOSQ-HSZRJFAPSA-N	456.627	5.078	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3c(-c4ccc(Cl)cc4)c4cc(Cl)ccc4n3C)CC2)cc1	19894332	ZILJPLBZKWYTBC-UHFFFAOYSA-N	494.422	6.123	10	40	JKCB	
CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)SC1=S	33515803	SPWPUBVKLBXCSI-DEDYPNTBSA-N	461.568	5.515	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(Cl)c1	59109540	HRWOAKRRZMXILT-WOJGMQOQSA-N	460.361	6.036	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4Cl)C(=O)N=C3O)o2)cc1	59137940	UGONLYGPYCKETQ-RVDMUPIBSA-N	473.337	6.553	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208243279	PJVUNARFUORNAI-AOPUEWEHSA-N	494.875	7.451	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223383474	QMKZXWMSGNNHIQ-NSOVKSMOSA-N	466.654	6.224	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	223858174	USYWKFUPIPPVQO-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224273909	SIDKZGIIJOPIIZ-SVBPBHIXSA-N	467.642	5.987	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)c1	408761390	JPNCSUDJUADMBP-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)S2)cc1	408776487	ZTMRARTWGMLZMF-YMSBRDKKSA-N	482.447	6.019	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1	408791541	ZWZIAKFNZCGCAT-WOJGMQOQSA-N	470.381	5.232	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)c1	408814936	ZVMQHTAJDPLTGM-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408843744	RYIRDVAIDMHUGX-XDHOZWIPSA-N	482.721	5.845	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1	408884544	ZQSFZKLSVIDZQG-OEAKJJBVSA-N	474.944	5.511	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)c1	408891504	ROBIYRPSNIMXMO-DEDYPNTBSA-N	478.907	5.341	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409050606	XSYGSTFNVNGXMZ-GHXNOFRVSA-N	497.763	6.010	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	409200245	QZVYCOHSRKYILR-SRZZPIQSSA-N	489.449	6.528	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O	409210010	IZUDJKUKNGATEG-MTJSOVHGSA-N	450.491	5.168	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)c1	409332977	SXJQKKCWJHKBLE-NDENLUEZSA-N	467.593	6.081	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)cc1	409335422	ZWAIODVQEDLCMX-RCCKNPSSSA-N	462.552	5.034	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1cccc(C)c1	3769298	ZWRYTBSSJFYDCX-PCLIKHOPSA-N	490.650	6.054	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1	9730555	UYIMZWNQJKMVMT-FDLDKBQRSA-N	498.992	5.226	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)/C=C/c3ccco3)n2)c(C)n1-c1cccc(C(F)(F)F)c1	13112841	FNQCSHIVBUJULS-CMDGGOBGSA-N	457.477	6.481	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1	14133030	CTUCZCRVQOLGMH-DEDYPNTBSA-N	490.943	5.293	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccc(C(C)C)cc3)C2=O)cc1	33330534	MOPAYGUOPSWAPQ-BWAHOGKJSA-N	471.557	5.760	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	33716564	LESVJWRWXXCJSP-HYARGMPZSA-N	461.499	5.265	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C(=O)OC)C3=O)o2)c1	33729620	PURYYCVVYVOIHY-STZFKDTASA-N	493.562	5.316	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCOC)C2=O)c1	35351199	GQNPPPQSWYPHEY-HAVVHWLPSA-N	493.654	5.566	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc2ccccc2c1	59135201	XFHLVVJSFXYYLB-BUVRLJJBSA-N	496.494	6.073	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(Br)c(C)c2)C(=O)N=C1O	59859644	GFEGGSNWGDTQNA-PDGQHHTCSA-N	465.303	5.426	10	40	JKCB	
CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2	70453894	VOLPPGRYVYZXAN-UHFFFAOYSA-N	499.523	6.128	10	40	JKCB	
COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222884	WPOLLYDSBJBVKJ-LJQANCHMSA-N	490.508	5.059	10	40	JKCB	biogenic
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccc(C)cc1	113830481	KKFANGNSLFDZDX-LPYMAVHISA-N	496.009	6.282	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Br)cc1	169616513	YKJMQPTYJSHAOV-MOXQZVSFSA-N	490.397	5.642	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1C	208239504	VJHBIABUFNBFJW-YODDIOPGSA-N	482.049	5.510	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2[C@H](C)CC1(C)C	208305221	UWSNMIFTTHPDDC-XWAFYUISSA-N	486.399	5.772	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223382263	NDUULQJAMCCOSY-KAYWLYCHSA-N	452.627	5.970	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223761095	ORZJTUJYHMVMCV-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224253782	KXXMGMFRNKXLMW-KAYWLYCHSA-N	496.636	5.761	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)nc1	224406088	MAZFXDQFXATWER-LOSJGSFVSA-N	457.578	5.509	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)S2)cc1	408775107	OCPXRQWJLJCPLF-SCRHHBKZSA-N	461.587	5.263	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	408787226	VFILQQOQAYAAOU-UQQQWYQISA-N	454.570	5.978	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C	408808438	IUWZGSUNGPXEFR-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1	408941471	WPXMXIHSMXLBRM-JCMHNJIXSA-N	460.917	5.148	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C)cc1	408944369	UNELXBLKHTYZCD-HZHRSRAPSA-N	489.369	5.778	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2Cl)cc1	409044228	UPXYUGAEWWZHLC-VXLYETTFSA-N	497.334	5.253	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1	409100448	NJJOJMJFFKGYEX-XDHOZWIPSA-N	482.367	5.684	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl	409146326	SGAPZWHXYKIXND-OAQYLSRUSA-N	464.052	5.745	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c2C)cc1	409208192	ABGYNRKYDLFYQY-UCQKPKSFSA-N	489.597	5.395	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccccc1Cl	409223006	YKOMXESAMLQCQN-XSFVSMFZSA-N	455.967	5.005	10	40	JKCB	
CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2	2104250	KNIFWUAYIPCTIA-VWLOTQADSA-N	477.634	5.721	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C3(c4cc(C)n(-c5ccc(C)cc5)c4C)CCCCCC3)c2C)cc1	3164071	CYEMXILNVPYWNM-UHFFFAOYSA-N	464.697	8.759	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	8450641	LUDBGBJTPUUZKF-OHMBLGONSA-N	499.596	5.109	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c1	9260411	FXWHBXDLUXCZHK-PDGQHHTCSA-N	487.364	5.483	10	40	JKCB	
Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2CC(C)C)cc1C	12633324	RVQHMGPQQHZITN-UHFFFAOYSA-N	472.452	6.316	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1	13773584	LKBMZATXEQYNNP-UNOMPAQXSA-N	461.008	5.228	10	40	JKCB	
CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4C(C)C)c(C(F)(F)F)oc23)CC1	19691242	BTEVDMZZFDMTBO-UHFFFAOYSA-N	490.522	5.571	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)cc1Cl	30822643	HBLCYWLNWUWQNR-GZTJUZNOSA-N	474.822	5.955	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1Cl	100233037	ZNXNOYZCUCUBGJ-CIAFOILYSA-N	467.352	6.387	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232778	HOMISWHFSZPLIA-LOSJGSFVSA-N	498.096	5.075	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223758783	WNPBNJXRTKFOQK-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1	223857988	AZBOSAVYJFFCLQ-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(F)c1	223895380	RBBIQALPXXTCDZ-KAYWLYCHSA-N	485.632	5.871	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224204991	HHDOOVMCFGGYFJ-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224373820	JWDWXHVWWAMSQP-RRPNLBNLSA-N	481.669	6.493	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224532882	YTUXGYAHJJWALI-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224533081	ZRBDNUSZTFPBSS-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(F)c1	224869255	JLKUYZOHKGTPAP-LOSJGSFVSA-N	493.007	6.164	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020198	PCNKCPFAJLPNFT-DQEYMECFSA-N	474.630	5.411	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1C	408738486	ZIOMTWJKNAUMNB-RCCKNPSSSA-N	486.398	8.342	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1cccc(Br)c1	408752956	DOBJXBWDXMNOJU-DEDYPNTBSA-N	482.175	6.046	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccccc1F	408774704	XDVJMLZROMHSPU-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	408819917	ZEXKTCGZSHHBFP-MDWZMJQESA-N	498.160	5.211	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Br)cc1	408840013	AEQAVHGJMPYTGF-RCCKNPSSSA-N	492.329	5.591	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1	408866432	HITOJVCKCOTWBF-UCQKPKSFSA-N	477.561	5.471	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1	408869139	REGHSACRBJLUJV-KGENOOAVSA-N	481.335	5.259	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408882100	PSJVAWSLWQWUGR-YZSQISJMSA-N	464.496	5.545	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1	408895784	FRJHDTWTWCNETB-IMRQLAEWSA-N	498.579	5.728	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)NC2=S)cc1C	408987635	BLBWOTFAXFRIHR-SFQUDFHCSA-N	491.619	5.489	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409083879	WOEXCZUPMQNQNU-BCUAHEQISA-N	463.983	5.438	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	409127435	CQCYBIRVFAMJLH-XKZIYDEJSA-N	471.047	6.231	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1	409245210	PAOVZTCAPBZUNP-ZVHZXABRSA-N	489.597	5.395	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)SC1=S	409342543	FPXGMPWCZQBNIR-MOSHPQCFSA-N	458.561	5.184	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1Cl	2193068	MTVQLPABCMNBOR-NTUHNPAUSA-N	498.160	5.129	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1	2233255	SCYNBPGKZVCOMX-UQQQWYQISA-N	497.526	5.224	10	40	JKCB	
CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(Cc2ccccc2)C1=O	4048099	AGCLOWKEXQYFCV-JEZNNCEXSA-N	468.669	6.193	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(C(F)(F)F)c1	8765619	KGGDKMQLYSFXBQ-YBEGLDIGSA-N	454.470	5.075	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)ccc1OCc1ccc(Cl)cc1	8821780	BCZMCWUHCUCYNK-XKZIYDEJSA-N	494.956	5.708	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C([C@H](O)c3ccccc3)[C@H](O)c3ccccc3)c2)cc1	8871899	LDWPEGDDCZLRKJ-VSGBNLITSA-N	489.593	5.052	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)c([N+](=O)[O-])c1	8989946	ZUWIVHUCSKQRTA-ODLFYWEKSA-N	471.391	5.688	10	40	JKCB	
COc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	9731183	BPLMORHNUSTMMW-JLPGSUDCSA-N	477.607	5.554	10	40	JKCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)cc1	13025190	CRTLACUAQPDCTR-XMMPIXPASA-N	465.981	5.446	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccccc1C	13774647	VBCLCPHJJHTIRP-BKUYFWCQSA-N	465.552	5.217	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c(C)n1-c1ccc(Cl)c(Cl)c1	16045689	IURUJWCSGONWTB-UHFFFAOYSA-N	459.358	5.465	10	40	JKCB	
O=[N+]([O-])c1ccc(O)c(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)c1	19333503	GTIZETMDZSHCJJ-UHFFFAOYSA-N	458.345	5.624	10	40	JKCB	
CN(C)c1ccc(/C=C2\S[C@]3(C(=O)Nc4ccccc43)N(c3ccc(Cl)cc3)C2=O)cc1	32597937	DHCLRSMFMQROIT-BQKWAYIGSA-N	461.974	5.332	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848228	HNIGULDWSRICQW-QHWMMSMNSA-N	495.044	6.674	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc(Cl)c1OCC	59198248	MDMIHVBPHLDGJD-OQLLNIDSSA-N	493.741	5.407	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)c1	83327741	AMSAXWLUZOGIKI-DEDYPNTBSA-N	481.335	6.388	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Br)c4)c3C)N21	222698424	XFKAVDKAGQUTAL-SXSPYAJSSA-N	481.463	6.231	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1C	223230085	ANGFEAGQERROOM-IZZNHLLZSA-N	461.679	5.030	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223767652	DNIZJZRQFIRXGB-IZZNHLLZSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224201255	TVHFIKZXESITHB-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	224240117	WJQUJPZMKYGANH-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1	408533012	PEYZZMZYFPHZND-KQWNVCNZSA-N	462.665	6.618	10	40	JKCB	
O=C(Nc1ccc(Br)cc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408722200	RIDCUPJQVMPOLM-UHFFFAOYSA-N	478.349	7.104	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1	408816022	QQIYHYHIYYLVPM-FYJGNVAPSA-N	495.362	5.801	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)C1=O	408874764	AJDMHVSFAXLMSO-HAHDFKILSA-N	472.972	5.776	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)C2=O)cc1C	409057523	POTLVTGPQISOFS-CAOOACKPSA-N	461.345	5.311	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)c(Cl)c1	409160791	JADYTILUXBTMGQ-YBFXNURJSA-N	489.405	6.108	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)cc1	409329300	DIHWWGDWZVRPHG-OVVQPSECSA-N	497.641	7.223	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1[N+](=O)[O-]	409332388	QLPSVQXLWLHACX-KEBDBYFISA-N	466.496	5.298	10	40	JKCB	
COc1ccc(OC)c(N2C(=O)/C(=C/c3ccc(OCCC(C)C)c(OC)c3)SC2=S)c1	1789680	RZCLWQNZGJVCDF-XKZIYDEJSA-N	473.616	5.543	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/C(=O)N(c3cc(Cl)ccc3Cl)N=C2C)cc1OC	8397865	NIMQNLPNQLZBOH-VIZOYTHASA-N	497.762	5.403	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)c1	8819179	HDJRAQKSQONWAB-LDADJPATSA-N	491.432	5.078	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1	8820633	HUKVUIVITOQRNK-RCYLNMRYSA-N	494.638	5.430	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1Cl	9076089	GYGDSUFAMNEIBE-ODLFYWEKSA-N	467.884	5.402	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	9335070	RTUQNCHGJZOPGG-UQQQWYQISA-N	497.645	6.339	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1	9659984	WPCQPZUZQLNYKK-JCMHNJIXSA-N	474.047	6.334	10	40	JKCB	
CC(=O)Oc1ccc(/C=C2/SC(N(C(C)=O)c3ccccc3Cl)=NC2=O)cc1Br	13914330	VQWFEVVZBJXISI-VCHYOVAHSA-N	493.766	5.051	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N12	32969730	GRRSPIYFKFXMDY-MQIWZSEOSA-N	480.596	5.675	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1cccc(F)c1	33692476	HCVFJDAAIAZCQT-CJSRDQHASA-N	489.601	5.743	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)N=C(O)N(c4ccc(Br)cc4C)C3=O)o2)cc1	59137932	HMRGAUAFCSCATH-LDADJPATSA-N	497.370	5.681	10	40	JKCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	222785637	NHDLHVQHWXANDP-LEWJYISDSA-N	455.425	5.244	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(=O)O	223099346	VJYWGHHUPDWMNI-JWQCQUIFSA-N	474.630	5.493	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc21	223515695	KFNAOSRFOIPJJC-OEAKJJBVSA-N	487.669	5.853	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C	223583106	WBVVNDPSWJICCL-SXZORUHJSA-N	461.631	5.247	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224529786	PXWRWYZTADTBIN-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019677	OQBOHKMKPZYFIK-DQEYMECFSA-N	491.617	5.321	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	253504097	RUPJLEKJZUBHKS-PVJGNJBBSA-N	481.771	8.066	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC(=S)N1c1ccccc1	408724549	FOMYHXWBLXBGPW-USPLRNBBSA-N	467.575	7.367	10	40	JKCB	
COC(=O)c1ccc(C)c(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1	408758080	GJVORAHKHULSOV-STZFKDTASA-N	459.929	5.915	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1OC	408761210	CJVZVSUPABISLU-UDWIEESQSA-N	481.321	5.440	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)c1	408817800	WUERZSUGVNOKOJ-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	408941499	VWRQOMLDVRMXII-MYYYXRDXSA-N	455.945	5.994	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O	409232510	QKOQHKGHIIZRIX-XNTDXEJSSA-N	486.267	5.136	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)c1	409242219	VQXSBHGBTAJJBV-VEILYXNESA-N	461.565	6.162	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC	409339160	FJGBLVNHSFJETK-BOPFTXTBSA-N	464.406	5.258	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1	1896156	RDBULABPNZVKDP-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1C	2258756	BWEGMDFFBDXWHT-XYGWBWBKSA-N	497.526	5.143	10	40	JKCB	
Cc1nn(-c2ccccc2)c(Cl)c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	3961041	WWLQIAKLWTVAPY-UHFFFAOYSA-N	482.927	5.418	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821331	WOIBXAVIIBTZHX-PQDCBLBRSA-N	476.019	5.764	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	8821468	YTNZRZNYCKOXRP-UDWIEESQSA-N	484.396	6.318	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12	9161304	VYQRLAVITYYXNE-CHZFGFJDSA-N	496.983	5.405	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)c1ccccc1	9730601	FQRWPKSZAKBKPP-AKGOGDBKSA-N	476.916	5.155	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c1C	9849699	AALPDEXLTPTADY-UCQKPKSFSA-N	466.027	6.942	10	40	JKCB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc(Cl)c1	13810889	DWROTSDKPAMJAG-SVFBPWRDSA-N	489.742	5.404	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	33735887	ZJVNNWMXSSXJDG-MSYYJCCKSA-N	467.598	5.885	10	40	JKCB	
COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1	34735683	UZCBOFZEMOLVPC-TWJOJJKGSA-N	483.951	5.371	10	40	JKCB	
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C1\SC(=S)N(c2ccccc2)C1=O	96305954	QSIGIWNGXWZWDM-XLNRJJMWSA-N	460.628	5.577	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)c(Br)c1	100525064	KZUSJIGBRFTNLA-ZFZZVZNFSA-N	468.380	6.064	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc21	208460775	AAPUJRFSTRQUDX-QRVIBDJDSA-N	475.614	5.610	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1	224011455	QYCICXJWPRUGDE-UIOOFZCWSA-N	468.582	5.395	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl	408586533	OWZJZBXBAXGVJN-UHFFFAOYSA-N	450.343	5.424	10	40	JKCB	
CCOc1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	408735708	VNKHZVUYNSYHOL-UHFFFAOYSA-N	458.521	7.132	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1OC	408753063	HMEPCYYIQPWWPW-XSFVSMFZSA-N	474.944	5.787	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccc(C)cc2)c1	408808797	GDIIVRFQUYIYRN-WSDLNYQXSA-N	490.943	5.211	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409014741	YILFLVHQEWNYGY-NHDPSOOVSA-N	496.394	5.669	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	409104874	KNSOSNVKFJAMAD-GXDHUFHOSA-N	495.240	5.939	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)c2ccccc21	409201736	XMYVLSFCGXZRRZ-OVVQPSECSA-N	495.604	7.061	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Br)c4)C3=O)o2)cc1	409205569	QQBIHROBFHTJRT-UDWIEESQSA-N	484.396	6.318	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1OC	409329855	HRMBXMQZTWQIDA-BOPFTXTBSA-N	464.406	5.571	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1	1163693	QUQOSPGGXGTUHV-LPYMAVHISA-N	472.501	5.380	10	40	JKCB	
COc1ccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)cc1	2372047	ZLCCXSBHGJUZQE-LFVJCYFKSA-N	499.523	5.214	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(C)cc1)N1CCCCC1)c(O)c1ccccc12	2667761	APLRAQIVVGEOEZ-SANMLTNESA-N	457.570	6.660	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCC(Cc2ccccc2)CC1	8714003	SWMGPAKEQUBOIH-XLNRJJMWSA-N	485.074	5.413	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccccc1OCc1ccccc1Cl	8821691	CNVZTWSSATVMOT-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(C)cc3)C2=O)cc1	8830152	QHPNSYORODDNQJ-FVBVXOILSA-N	471.557	5.055	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1	8918486	FDBPAFBKDCUWBH-PVHODMMVSA-N	463.533	5.026	10	40	JKCB	biogenic
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1	9188478	GFUCTHHBWICPND-IWIPYMOSSA-N	461.608	6.297	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	9635935	QZZXFRXVCBAIKM-OYKKKHCWSA-N	490.987	5.942	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1-c1ccc(C(C)C)cc1	13145612	XSZZEYIUHLTZNC-UHFFFAOYSA-N	497.517	6.012	10	40	JKCB	
O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1	19848447	YFEMQANTZKOQFD-CLCOLTQESA-N	474.029	5.718	10	40	JKCB	
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H]1Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3O[C@H]1N2	32936463	JTWRZYPDIVHLQP-WMPKNSHKSA-N	464.694	7.838	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	59138841	YIXGKELWRWSJFN-XDHOZWIPSA-N	468.340	5.410	10	40	JKCB	
C/C(NC1CCCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	101449032	SFPJXZJIFLODGJ-QJOMJCCJSA-N	462.644	5.906	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1	208306304	MPUGGTUZEAMPBK-HRKXOBMBSA-N	477.630	5.029	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	223060633	ZFKUYQIAVATJRT-ZEQRLZLVSA-N	485.053	5.160	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223459178	AKWKJGBFKAQSSH-SXOMAYOGSA-N	467.642	5.619	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1	223460876	YQQCSGNIESRTMP-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223533878	OHEORSGTMQUNPD-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224237327	RMLGKKUFBKIPTC-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224338057	QKEOJXHHGFZGDD-KAYWLYCHSA-N	496.636	5.927	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	224464549	JSEWVYSUASKANW-DQEYMECFSA-N	493.463	6.973	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1F	224900209	LMRYADXLYUXDTA-FTJBHMTQSA-N	472.589	5.819	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1F	224902431	YSENLLOTBKGYCT-IXCJQBJRSA-N	484.644	6.731	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	408572324	GFLFOGGJEYZVTE-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408646753	WGPHGSYMUZUTKT-IBGZPJMESA-N	456.929	6.277	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)S2)cc1	408767624	NBRGVCBXQDWVEJ-IZBTWGKQSA-N	472.441	6.563	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	408839823	APNUWDCMCYJBJF-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408866476	GMLHLITUEUKXGN-KOEQRZSOSA-N	450.469	5.236	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1ccccc1Cl	408880026	IHQITQUAQKAOOV-YBFXNURJSA-N	495.362	5.568	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(F)cc1	408972190	NFHIPBZFLWWQAT-MOSHPQCFSA-N	470.422	5.762	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)c(C)c4)C3=O)o2)cc1	408986638	RTEVSWLMVLLTHH-XIEYBQDHSA-N	475.544	6.821	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)S1	409084244	AQVISQMZRMHLKR-LZYBPNLTSA-N	455.750	5.332	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	409193683	KQZLPWMEKRWJGS-UFFVCSGVSA-N	452.919	5.717	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl	409242376	RKSAIBJLAURLQW-UZUMKDMXSA-N	456.995	5.472	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OCC	409350722	YTXJWOVLCDQRGL-YVLHZVERSA-N	482.396	5.791	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	409351215	ZKNYRVMCINZGIC-MTJSOVHGSA-N	474.434	7.340	10	40	JKCB	
COc1ccc(NC(=O)c2c(NCc3ccc(OC)c(OC)c3OC)sc3c2CC[C@@H](C)C3)cc1	2909556	PAONCCBBNLJPDT-MRXNPFEDSA-N	496.629	5.772	10	40	JKCB	
O=C1/C(=C\NCc2ccccn2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	8694939	KCXPYVQQRXRBMQ-RGEXLXHISA-N	492.029	5.513	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc4ccccc34)C2=O)cc1	8819865	RMWBMFLMKBIFMY-MOHJPFBDSA-N	490.650	6.249	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9293488	ZJVNNWMXSSXJDG-IJQXDZDCSA-N	467.598	5.885	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1cccc(F)c1	10131072	JYRWTXYXGQRLQC-GRSHGNNSSA-N	496.423	5.787	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc2ccccc12	12275740	HXBJGZYIEXRQAE-ZPKNHPDFSA-N	490.386	6.601	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1F	16729192	WVCNNHYASADQEY-JCMHNJIXSA-N	497.617	5.315	10	40	JKCB	
Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CC(=O)O)C1=O	27061929	IKQJNVHAFVLUQJ-MTJSOVHGSA-N	477.611	5.257	10	40	JKCB	
N=C1/C(=C\c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	34688839	FTPPVEWSWYQFGC-VIFXODNGSA-N	481.577	5.839	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1Cl	34799483	NVWRULXYPMMMMW-DEDYPNTBSA-N	470.019	5.813	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12	41084228	VYQRLAVITYYXNE-FNARYYANSA-N	496.983	5.405	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847758	HRMXLQFFEAHHAD-XLNZFTOWSA-N	489.399	6.760	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2	58850156	XCPLCOLXUYSBQI-CEYNDMKZSA-N	495.442	6.385	10	40	JKCB	
C/C(Nc1ccc(Cl)c(Cl)c1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100094532	GVCNBAPJHYSHPU-OQLLNIDSSA-N	471.291	6.254	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	208222897	ORDSXORONGUXTG-RANIVTSPSA-N	451.548	5.553	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C	208325746	WBVVNDPSWJICCL-ALDSOSFCSA-N	461.631	5.247	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc(Cl)cc1	208696415	HWOLRUDOEMNHKQ-YVLHZVERSA-N	466.798	7.313	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222971820	MFIFOULBFQWKRU-RPWUZVMVSA-N	469.054	5.924	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1	224465701	JHTZPXAYFTZSDS-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(O)cc1	225045346	POQSCLBXKPEPJS-WUFINQPMSA-N	497.668	5.669	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	260909941	AYBXPMKLGVUWIS-LOSJGSFVSA-N	455.631	5.281	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl	408795928	WQFPVXGHTCJHHA-GDNBJRDFSA-N	467.146	5.633	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)cc1	408802137	DLENUFXERTVINH-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	408841110	HSHIHPCTBHXRMP-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(Cl)cc1	408859270	RUIHPZIMRRSDKO-OWHZGTRUSA-N	496.832	7.517	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)NC3CCCC3)c12	409126448	OCHQPQMLMRDFIM-XKZIYDEJSA-N	493.654	5.257	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)cc1Cl	409240999	WCEASCJJRGUYRO-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc2ccccc12	409330048	JFBDWALZZVOGDF-PCLIKHOPSA-N	471.578	6.964	10	40	JKCB	
O=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12	1747687	KTUOVBCXFRCBPU-UHFFFAOYSA-N	472.290	6.477	10	40	JKCB	biogenic
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	2381898	LSNKMTWKMCQLGI-ZPWPBLDLSA-N	496.009	5.946	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)ccc1OCc1ccccc1Cl	2700962	VWLYNOSOZYYQTM-BRLDDBHUSA-N	492.018	5.382	10	40	JKCB	
CN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)SC1=S	2999946	SAPODOVPNXBPEY-JAIQZWGSSA-N	460.407	6.557	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1-c1ccc(OC(F)F)cc1	3351360	FECKRRFNLMASMO-UHFFFAOYSA-N	455.486	5.721	10	40	JKCB	
O=C1/C(=C\c2ccc(SC3CCCCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1Cl	8383741	MLRIJSGMROEQAG-DEDYPNTBSA-N	491.059	7.079	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nc(-c2ccccc2)cs1	8820452	HAJXMHLGSBAZHH-WAYKPHQQSA-N	477.636	5.596	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	9553407	BDKJUIHXWONBOR-IHRLJDSVSA-N	497.363	5.952	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1Cc1cccnc1	9805860	FOCIZIPQPJJHDH-OYKKKHCWSA-N	489.597	5.656	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	13648410	IZNRSZPJCRQEOD-RWZYYMRUSA-N	493.654	5.904	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1	13800048	RRGFDEBCVYUIBE-JKGLIZDUSA-N	472.482	5.168	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1	16678564	CZAKOVDBDQSEKM-UHFFFAOYSA-N	460.490	5.267	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1	16678595	SKLDZEGWALFHLC-UHFFFAOYSA-N	464.363	6.356	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(C)cc23)cc1	20288805	NRSIEVRODPSPJZ-DIBXZPPDSA-N	482.559	5.481	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1	32701752	GNRJEUPNBUCEOZ-LYBHJNIJSA-N	494.726	6.584	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1	59135332	TUVVQKXTTDVALS-LFVJCYFKSA-N	459.521	6.083	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F	59418062	AWIUWDJBNJXEKH-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	108204737	OMSKEKOOWWDBMG-PKAZHMFMSA-N	481.527	5.274	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)SC2=S)cc1	113833734	SIHFYYAOXCHZKS-ZVHZXABRSA-N	491.037	6.757	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc5ccccc45)c3C)N21	222693784	ZBCARHXODNSYBK-SACAOSOOSA-N	452.627	6.622	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223420408	MVJNYELVYGNEJX-SVBPBHIXSA-N	486.616	5.810	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223799303	ZNLYQPDEZVVQGF-IZLXSDGUSA-N	498.652	6.074	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C	224271199	JFVDTEWQXRUTGN-WDYNHAJCSA-N	480.681	6.900	10	40	JKCB	
CCn1c(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O)nnc1-c1ccc(Cl)cc1	408633862	MOWYXPOFPSPMCV-HMAPJEAMSA-N	496.995	6.383	10	40	JKCB	
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(ccc(Cl)c4Cl)[C@@H]4C=CC[C@@H]43)cc2)cc1	408736110	FOYYHPPECAWRBH-NMMYMHLASA-N	467.352	7.307	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2Cl)cc1	408849369	ZVEULTDWPCNJQS-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(C)c(C)c2)C1=O	408878702	AJIBMYLAINNMFI-KQWNVCNZSA-N	454.526	5.111	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1Cl	408902020	JWQDOYMWIIILFF-BUVRLJJBSA-N	475.038	7.057	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=O	409010624	CPPJVLDJBAFVEC-ITYLOYPMSA-N	493.563	5.023	10	40	JKCB	
COc1cc(Br)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC	409059658	WIMCPZOFQAGONX-NVMNQCDNSA-N	464.406	5.176	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S	409107879	XMNLEQAOAWQGBC-YBFXNURJSA-N	456.976	5.019	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c1	409233180	RPBDVRAVXNGRDV-XKZIYDEJSA-N	464.363	5.258	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O	409246506	CCMQTZZNAPFFEY-UVTDQMKNSA-N	475.715	5.882	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc([N+](=O)[O-])c1C	409328422	UYPFJGIRPMXLRV-JAIQZWGSSA-N	481.511	5.786	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S	409348505	SZMPDWOFPRSVOR-YVLHZVERSA-N	468.825	5.903	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	1013586	RYJMJDQKYYVUAV-DEDYPNTBSA-N	489.959	5.313	10	40	JKCB	
COc1cc(OC)c(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1Cl	2119558	WTGXEHVYAHKBGN-UHFFFAOYSA-N	477.944	5.719	10	40	JKCB	biogenic
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	4107010	PQCWVGVTOXFGLO-CFRMEGHHSA-N	496.438	6.791	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc(Cl)cc1	9310279	YKZKRHDZGBADEA-KGENOOAVSA-N	465.983	5.961	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1	9334366	JONPHRZAIMLJNQ-ARNWESCTSA-N	472.929	5.096	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)c(C)c1	13894559	DCSJATGWMINGTB-XQNSMLJCSA-N	490.943	5.921	10	40	JKCB	
CN(Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12)C1CCCCC1	19793021	YZAHUSSAPRXOAO-UHFFFAOYSA-N	481.898	6.728	10	40	JKCB	
Cc1cc(OCCn2cccc2/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1Cl	33331071	LBVUNMVSXZOKSW-ZHZULCJRSA-N	467.884	5.175	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1	33347482	DRKTYTGYDWWRBS-OQKWZONESA-N	482.377	7.489	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1OC	36056884	CEJPURLKVRROJN-UMTXDNHDSA-N	490.625	5.948	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	41083225	LVNQPEZSYVSNIE-VOECXEDKSA-N	455.971	5.031	10	40	JKCB	
O=c1[nH]n(C2CCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc([N+](=O)[O-])s3)c12	95474879	JZFJCUPORMKLKY-UHFFFAOYSA-N	466.475	5.177	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1OCc1ccccc1	100319837	MANAQMYGCSNRND-CIAFOILYSA-N	467.352	6.387	10	40	JKCB	
COC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@H](C(C)(C)C)C2	102580623	ZCVFGLZSGPVFTH-TWQQJCIXSA-N	451.592	5.404	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223458658	WKESMENPMNVXNP-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1F	223535385	HICAQZSTUSYCSA-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	224168849	JFDVBJULNJXQNE-SVBPBHIXSA-N	467.642	5.732	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224304848	TVLHKTGRKQJNKW-FQLXRVMXSA-N	480.681	6.900	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224305726	XQXRJYBNMVMWHD-VMPREFPWSA-N	480.681	6.900	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	224416690	LAMRWUBDZKHOQO-JWQCQUIFSA-N	458.562	5.506	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224531339	NNMBYFUYKWAJTH-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1F	224899371	YWMAYFOJGLRDGO-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019976	HPRFSJUCRVOFRP-LOSJGSFVSA-N	465.066	6.366	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C2=O)cc1	260569393	QACXBRVLYDCCAI-MMTNMYCKSA-N	459.590	5.336	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(C(C)(C)C)c1O	408528723	GYXXPADEEIZKLP-ATVHPVEESA-N	474.673	5.595	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)S2)cc1	408781534	BKBWDGJQSNZZFT-PLQXQRLBSA-N	478.574	5.173	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408839807	ANTOIENISHLJBV-FYJGNVAPSA-N	451.751	6.245	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(Br)c3)C2=O)cc1	408846423	SJDVNNAXVWFWFI-FYJGNVAPSA-N	496.202	6.355	10	40	JKCB	
COc1cc(C(=O)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc(OC)c1OC	408978181	YQSWOUGASMEXIU-UHFFFAOYSA-N	490.515	6.334	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	409038527	VXUDPUKELOGYLN-GZTJUZNOSA-N	452.382	6.495	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OCC)c2)NC1=S	409082925	UHMOXMTUNSKBFI-WQRHYEAKSA-N	493.398	5.034	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1cccc(C)c1	409196129	TWGNKALMOUXNRM-UCQKPKSFSA-N	464.612	5.538	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C)C2=O)cc1	8819834	VDFNNHJNMQFZPZ-PGMHBOJBSA-N	454.617	5.404	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)c1	8984321	BBRMDEBOIPCGSA-HZHRSRAPSA-N	492.915	5.313	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1	9210325	LMRAGAXVYMWUKH-RVKANBTNSA-N	471.561	5.518	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4CC)C3=O)o2)c1	9310426	NZXQKIBDGVGEBI-PXLXIMEGSA-N	463.580	6.092	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1	13897869	AQCIOSAIZYWBJN-JHKOBTARSA-N	483.597	5.409	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1	13940498	HLWZOEKTKRJLSF-WJOFZGQRSA-N	496.592	5.429	10	40	JKCB	
C/C(Nc1cccc(OC(F)(F)F)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288404	YYYDSACJRFBDAA-QNGOZBTKSA-N	482.418	5.630	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S	59418113	HQGLBQOEILCTMI-LICLKQGHSA-N	452.370	5.388	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113831116	CLGNGZPNUZICPE-CIAFOILYSA-N	466.515	5.719	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1Cl	222833174	SXMZREKDAPEQIR-FGZHOGPDSA-N	459.446	6.177	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223494617	XDHRSVWTWGGOJW-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223761417	OOIDFAUBLMUWKV-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224604953	NYFALYTYEHQHFO-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c(C)c1	260567338	KMZRTIUIUYYZCA-KOMLCTQHSA-N	461.631	5.165	10	40	JKCB	
O=C1/C(=C/c2cc(Br)c(I)o2)SC(=S)N1c1ccccc1	408950419	DVZNVTXMKVZCQT-XFFZJAGNSA-N	492.157	5.053	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409058037	RVNPGNSQYVUODH-QQXSKIMKSA-N	489.015	6.632	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1	409245982	BZVFSUKYLSYAQN-SRZZPIQSSA-N	454.357	5.802	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc(Br)cc1	409339927	MVLOVIWGUYOAQM-ZSOIEALJSA-N	455.742	5.417	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1Cc1ccccc1	409344260	IGGLSRVFGZZBCV-QFEZKATASA-N	484.602	6.133	10	40	JKCB	
CCCCc1ccc(N/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1	6151015	QBDIQZCLHAPQBG-CJLVFECKSA-N	456.633	5.403	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12	7003198	JKATUNSMWNPWAP-OMDCXGFUSA-N	464.856	5.100	10	40	JKCB	
O=C1NC(=S)S/C1=C(/C=C(\CC(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1	8445455	CRSZQINWTRBXRQ-ADGFTTEDSA-N	476.022	6.556	10	40	JKCB	
Cc1ccc(/N=N/c2c(NC(=O)Nc3ccccc3)n[nH]c2NC(=O)Nc2ccccc2)cc1	8453282	ONAFJOSHEWXMNR-QVIHXGFCSA-N	454.494	6.422	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	8768961	SAQCWQNTNXTCTO-ZDSQJECRSA-N	475.520	5.726	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCC1=CCCCC1	9015739	NZBVGWSPSUNHCQ-ULJHMMPZSA-N	453.542	5.882	10	40	JKCB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	13649635	WIFGKDTVYCIJNP-UHFFFAOYSA-N	453.007	5.399	10	40	JKCB	
COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N\c1cc(CN(C)C)cc2ncccc12	17122411	XQYJMZDUTFYABG-MCDSGTGBSA-N	499.531	7.053	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	27018124	YPPMHLUWOLICBI-QNGOZBTKSA-N	468.047	6.584	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1	33826480	SONOFCSKIABWBC-HMCBYUHISA-N	457.534	5.209	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)c1	35446865	NDDAMQDYCYAPMY-VFCFBJKWSA-N	476.580	6.524	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1	58848578	DFAZLKHAWVSPNV-UZINWLIJSA-N	481.017	6.366	10	40	JKCB	
c1ccc(/N=N\c2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N\c5ccccc5)cc4)cc3)cc2)cc1	100368281	HXWHXECPBINUKM-BNIRNHMPSA-N	494.562	11.348	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1	208219598	TTZCIRAZSVWAJR-PGECNJAHSA-N	493.629	5.482	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2C(C)=CC1(C)C	208511717	PIUHKSNZCDAHHN-OYKKKHCWSA-N	489.641	6.000	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222925879	FSCADFKNRZENDN-ZEQRLZLVSA-N	453.055	6.079	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351934	RIFSVRUHTXZYKE-LOSJGSFVSA-N	477.033	6.217	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1	223420088	MVFQMJSILUEJGQ-URLMMPGGSA-N	496.680	6.233	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(F)cc1	223895807	KSWWATJHSXRUAB-SVBPBHIXSA-N	485.632	5.871	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224011898	MHIORTOAVKSNIX-RRPNLBNLSA-N	482.609	5.703	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(Cl)ccc1O	224158819	SJQZAMUETJUMDE-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224845618	YCUWJWLKESPYFX-KAYWLYCHSA-N	499.640	5.387	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408551055	ALGFMZYJOYNYHZ-BKUYFWCQSA-N	480.351	5.817	10	40	JKCB	
COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)c1	408576132	RTQMBKBFVFECSI-UCQKPKSFSA-N	490.606	5.427	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Br)cc2)c1	408842991	PVZOEPWXIFNFHO-KGENOOAVSA-N	462.303	5.500	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OCc3ccccc3F)ccc3ccccc23)C1=O	408897036	PWVFHQRHXMRDDQ-ULJHMMPZSA-N	494.522	5.787	10	40	JKCB	
O=C(O)c1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	409087204	BEBBJQZSPUGMKN-XHPQRKPJSA-N	474.516	5.798	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc2ccccc2c1	409221596	SPUXHLLQRJEZBZ-PXLXIMEGSA-N	485.996	5.732	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1	409333702	VHPPKFCCKRZRGY-ODLFYWEKSA-N	472.931	5.923	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1	409349271	VGHGTHZKERSLCG-UDWIEESQSA-N	482.970	5.349	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl	409399431	INOKPKALKMZHBK-UYRXBGFRSA-N	483.749	5.143	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccc(Cl)cc1	8426157	UJXRGNOANUISDO-UDWIEESQSA-N	486.401	6.618	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CC[C@H](C)C3)c1	8430100	NHQJFQWEFFXCIZ-INIZCTEOSA-N	496.629	5.772	10	40	JKCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1C	8871685	ABLHHHZULGPCKF-UYRXBGFRSA-N	489.460	5.686	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1Cl	9232284	XTZIMUYLPNKOKK-ZVHZXABRSA-N	496.053	6.950	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)O2)cc1	9311312	GITQTIQMZLTJAA-XNTDXEJSSA-N	452.260	5.907	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	10113172	VYEYTWVCWQWCMF-PMERELPUSA-N	499.680	5.424	10	40	JKCB	
C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc23)C[C@@H](C)O1	19791748	SOQQJUCOCSPQGJ-CHWSQXEVSA-N	467.871	5.447	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1	20287174	BPZSLQQUBKKHLG-ONUIUJJFSA-N	488.519	5.230	10	40	JKCB	
O=C1/C(=C\c2cc(-c3cccs3)nn2-c2ccccc2)SC(=S)N1Cc1ccc(F)cc1	28629684	PXXKJFUJQJSGQS-HYARGMPZSA-N	477.611	6.141	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	41108020	ORGGMJGXFNOLRU-QPJVQXSBSA-N	494.407	6.068	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2C)C1=O	59484131	IIVSJJNGEUPFHJ-UHFFFAOYSA-N	465.336	6.194	10	40	JKCB	
CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(N(CC)CC)cc3)C2=O)cc1	102753180	SDFGADUTZMUCIW-HZFUHODCSA-N	499.611	5.373	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)c(C)c1	107583803	VOFRRRROFACILI-HMAPJEAMSA-N	465.619	5.068	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208253150	BBVLJCLPBOZAMV-LKEIMFIWSA-N	475.441	6.952	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)c1	208701182	OWFIRLVGJDERIA-ODLFYWEKSA-N	455.944	6.012	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222833108	PFQZKRTVFOQHHK-UIOOFZCWSA-N	461.679	5.716	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	223524985	MHALUGKMDXESJC-JWQCQUIFSA-N	490.076	5.934	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223534254	LSNLJCBCGRXKQS-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[C@@H](C)CC1(C)C	223566036	IOEMHDFFQSNJBP-ICODJCHTSA-N	479.602	6.332	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3Cl)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223614457	BGFSOINCAZNBJD-WTZXFZKGSA-N	483.077	7.386	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224167695	JLDZCKQBMNVBMU-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271856	DESHPYIOHNJMJZ-VMPREFPWSA-N	480.681	6.900	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224530098	KPGCJORRXRJFGA-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224904509	KJPYCYKJFDNWQK-CLJLJLNGSA-N	471.605	5.817	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccn1	225037429	VEOLNBHNTWQSAI-SXOMAYOGSA-N	482.657	5.359	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1	408571937	DJQVJGLSDSSXIE-STZFKDTASA-N	464.543	5.249	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1	408761677	APZKXXKIKUIRBT-CPNJWEJPSA-N	482.367	5.630	10	40	JKCB	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1	408777104	VNDREXCJHVBBLM-PXLXIMEGSA-N	454.482	5.551	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)cc1C	408781740	FNXYOPIHZBNZMV-PCLIKHOPSA-N	485.653	5.840	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408804400	FNJQZRYSTIJTIZ-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408844544	UERCAXYECXQIHQ-CPNJWEJPSA-N	482.721	5.845	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(OC(C)C)c1	408873274	SBWLPMQYOQEMAG-UHFFFAOYSA-N	472.566	5.231	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Cc1cccc(F)c1	408883579	QGPLXKUDKJOZFD-LPYMAVHISA-N	492.934	5.443	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(F)c1	408890160	OVDKRGPLFHCHST-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	408914790	YZQQVYLYCJVUQY-NVMNQCDNSA-N	472.303	5.206	10	40	JKCB	
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(-c4ccccc4)cc3)N2[C@@H]1c1ccc(N(C)C)cc1	408989562	LGMAKDHIDUUFDU-MUUNZHRXSA-N	495.648	6.715	10	40	JKCB	
CCCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl	409045388	YGFVJKMVGRHDMZ-UHFFFAOYSA-N	495.362	6.366	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409064590	DLQXLGPYSWDFHY-ONUIUJJFSA-N	468.597	6.403	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1	409379472	YBXFKZPTPQYGBS-NLRVBDNBSA-N	485.653	5.830	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(Cl)c1	1848698	ALUSCDFFJQABRJ-DURWOYGOSA-N	477.438	6.170	10	40	JKCB	
COc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	2267749	RUZKVMYSQHLOKF-UHFFFAOYSA-N	469.540	6.904	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)SC1=S	8383767	ZCRYPFGPESVYMG-LICLKQGHSA-N	450.994	5.762	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1	9293601	CLYNTHMYSIMYCW-UGIGCIEISA-N	453.571	5.264	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	9478042	CSMNOQHFKOPPHU-LOYIFYEOSA-N	487.983	6.953	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	11640022	KJGWTBHHLNMCRA-PXLXIMEGSA-N	479.583	6.107	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1	12412746	VQIXYWDSQPXGCC-UYRXBGFRSA-N	467.344	5.536	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Br)c1O	15930272	XGKLBDIREAHTAP-OVCLIPMQSA-N	480.156	5.122	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21	18173598	XTRRGNSKQSRNBD-IXFSTUDKSA-N	454.784	7.704	10	40	JKCB	
C/C(Nc1ccc(Br)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288246	JDIVONDOICEERL-QNGOZBTKSA-N	489.398	6.196	10	40	JKCB	
Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2c1	38160141	FTCCFISUCYYKSV-HMAPJEAMSA-N	485.590	6.766	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	41076709	YTALWRLKOZEUGY-VCOIRPETSA-N	497.624	5.916	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224202431	WJLHQWVCOAKSJI-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	224337445	WRFYHFDXOXYMPF-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224523393	NXZLBNLRRQKCKP-RPBOFIJWSA-N	455.587	5.070	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C	224566525	KPNHXPVLZBHVQY-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1	408574266	LJESDLWJFZPXBQ-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)c1C	408805586	HBAWZGXWUGWOPF-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1	408810847	MZFCJLPSTDOKNC-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C1=O	408894583	RLWYHFVJTNZXOE-XQNSMLJCSA-N	480.495	5.533	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C	408967395	QJNOESOAZHYDMM-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1	409024493	UGSBCQMGCFHQAT-IDUWFGFVSA-N	467.146	5.633	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccccc3F)c12	409124727	KHUSSEFKCYKURP-BKUYFWCQSA-N	454.592	5.239	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1	409161981	YASXLCGGNGYHNS-LPYMAVHISA-N	479.989	5.731	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1	409166479	GGHRCWGQBPHANX-NDENLUEZSA-N	470.754	5.607	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O	409242624	XGDZGIXKXYUFTA-PXLXIMEGSA-N	483.955	5.876	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O	409328566	XSKWUVPEKIXBLF-VCHYOVAHSA-N	498.851	6.306	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	2278201	FTSIRSCEVIOCHL-HEQHKCQXSA-N	475.591	5.877	10	40	JKCB	
S=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)Nc1ccccc1	2292026	BTRFKZOPRYEQOB-UHFFFAOYSA-N	450.365	5.373	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(Cl)c2)SC1=S	2696938	WDPFBSOEDWDPBO-MOSHPQCFSA-N	470.019	5.813	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)ccc3O)C2=O)cc1	8819766	CGXWARYYFVZURF-MOSHPQCFSA-N	475.035	5.754	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1	9233427	WNRVSDGFQCLGJM-KEBDBYFISA-N	471.893	5.982	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1	9293202	AMWAPLCCMCEMAB-VGPRQDCSSA-N	471.561	5.463	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1	9308038	RAVGMXNMHSLLKN-MBTIHVDPSA-N	469.570	5.101	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C(=O)N=C2S1	9425541	ITWFFWAQIUCHCI-ADZLKVMLSA-N	497.020	6.127	10	40	JKCB	
COc1cc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c(OC)cc1Cl	20288348	HMHYBDMFBZBCCR-HAHDFKILSA-N	465.912	5.633	10	40	JKCB	
O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1	22636585	YBJNTELFKMGAFV-UHFFFAOYSA-N	495.048	6.102	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)c1cccc2ccccc12	26965553	ZAXGWNHFQVQBIM-XHPQRKPJSA-N	495.625	6.503	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(C)cc4C)C3=O)cc2[N+](=O)[O-])cc1	32124977	HIQIUZJLPKEVBW-OEAKJJBVSA-N	492.647	7.077	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1	33390948	GIVKFJVQLLVZCE-STZFKDTASA-N	492.062	6.034	10	40	JKCB	
CC(C)c1nn2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)c(-c3ccccc3)nc2s1	41074270	DEGAIOLGINEXDW-AQTBWJFISA-N	462.625	5.987	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1Cl	102686429	FNLUINZLVKIHIO-KGENOOAVSA-N	484.046	6.203	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21	208459790	LGDAKNBJYHSPSD-UUYOSTAYSA-N	497.458	6.626	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc2C(C)=CC1(C)C	208506065	MLRTYBRSMANXFK-UUYOSTAYSA-N	452.023	6.753	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Cl	223345512	ZTRKVUJUOALZLT-BJKOFHAPSA-N	463.006	5.908	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1	223879080	KHTGVLPUYLIHGO-DQEYMECFSA-N	456.571	5.072	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224016000	ZKAZHKXYWPLCBS-SVBPBHIXSA-N	498.608	5.404	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224233715	HAAVSUIQSIDPHT-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224300514	DHMMZZCDZUVICS-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(Br)cc1	260784261	VNMQOSIEQZEFQH-KBJGYGKASA-N	467.436	5.841	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br	408600910	GZWGNZQVHBDPJI-NVMNQCDNSA-N	482.852	6.543	10	40	JKCB	
O=C1/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)SC(=S)N1Cc1ccccc1	408724204	HSUMXKKUEVTBKC-WBNQBQQXSA-N	465.987	6.862	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccccc1F	408744051	WBQXQYPNCUGYQA-DEDYPNTBSA-N	495.344	6.547	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1	408754253	JOXRZPVEMFGNQQ-PXLXIMEGSA-N	475.342	5.379	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)ccc1Br	408764107	WBZUVXZZHPCYRJ-GZTJUZNOSA-N	485.721	5.337	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)S2)cc1	408775804	SDNILIRQTLJTJF-OFCKJYIJSA-N	461.587	5.043	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1cccc(F)c1	408866481	HQDVUAGFWMSKGL-LPYMAVHISA-N	492.934	5.443	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	409081036	FTLHYPDCVJJNTJ-PDGQHHTCSA-N	497.385	5.072	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)c1	409101939	ZIZCQKRQLNVPMX-WGOQTCKBSA-N	478.552	5.087	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c12	409132720	JUMLROQPSKCECR-GRSHGNNSSA-N	461.439	6.390	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br	409228208	VYAYIWAEYJTUCC-WOJGMQOQSA-N	487.419	5.191	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(Br)cc1O	409329566	FZYCEMXIVXGHJN-FRKPEAEDSA-N	470.797	5.613	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)cc1	409330212	JTXZWSVMUQYLAV-UDWIEESQSA-N	486.958	6.313	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S)c1cccs1	409339062	RLDDWCNMNUIVFI-XDHOZWIPSA-N	470.572	5.012	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O	409339883	MJYMNZCLXPAWJW-OVCLIPMQSA-N	470.450	5.124	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)c1	409340105	QMDAKXXFCBBNGY-YBFXNURJSA-N	488.999	6.636	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc(Cl)cc1	409348627	NXIRPPDSARIOAG-SXGWCWSVSA-N	478.357	6.121	10	40	JKCB	
CC(C)(C)c1ccc(O)c(CN2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)c1	643583138	RKQBDUUKVHWXJZ-UHFFFAOYSA-N	487.640	6.544	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	2380798	NLWIHGZJYMFYEQ-ANYROYSUSA-N	457.534	5.209	10	40	JKCB	
C/C(Nc1ccc(F)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1cc([N+](=O)[O-])c(Cl)cc1Cl	8453949	NNKZKRVLEVHIMC-BKUYFWCQSA-N	485.302	6.178	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3)C2=O)cc1	8820061	QFVGCQUFDBBOCG-PGMHBOJBSA-N	482.627	5.182	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl	9296537	DHPLPZLVHWUCDS-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O)=C\c1ccccc1	9444423	SKCKOANKHCXQER-LDFNIPPCSA-N	496.963	6.145	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)c(C)n1-c1ccc2c(c1)OCO2	10037141	XCGNOQXMNAIYLB-MRXNPFEDSA-N	495.532	5.460	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)ccc1[N+](=O)[O-]	16283205	KFNXIWBZHQDOLT-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	26580579	BDPLOSNOTIEAAZ-XYGWBWBKSA-N	475.635	6.374	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1	41076710	VEYJHEPKGCTNQR-JHKOBTARSA-N	483.597	5.409	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	41108833	NCJINUUZXABJJI-SZHLLGMXSA-N	468.538	5.664	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccc(N(C)C)cc1	58196747	RTMWLRNPARRNFB-AREMUKBSSA-N	464.569	5.267	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58850058	NYYBGEATPXIYMC-TYPXCFOJSA-N	470.569	6.606	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)N=C1O	59860560	DANJIQYWKSDADQ-SFQUDFHCSA-N	457.324	5.361	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	100931048	UETJZXCKWPWXPP-HZHRSRAPSA-N	480.977	5.168	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223014938	IEAJBUHAJKQYBS-XZOQPEGZSA-N	455.027	5.070	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223420674	DQJSHIHHCNEGMH-SXOMAYOGSA-N	486.616	5.810	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1	223996021	UVSIIMBCTNEVLL-RRPNLBNLSA-N	497.624	5.325	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403616	ZVEGFFREJLCNBH-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(F)c1	224432509	OECNONBORCHUFX-RPBOFIJWSA-N	460.553	5.944	10	40	JKCB	
Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1	225657405	ZCQVXNOCNVOYLI-NSOVKSMOSA-N	495.652	5.490	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1	260573387	YKPGNGWJUNTYLL-IERINAHZSA-N	473.617	5.724	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)NC2=S)cc1	408751774	CEWSQVJQPOILTR-LFVJCYFKSA-N	457.599	5.050	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408762719	FVQKWQCBWPNZRQ-PXLXIMEGSA-N	475.342	5.379	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2c1	408779092	QYCZAGZZRDVBQF-KGENOOAVSA-N	480.973	5.122	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O	408878425	BEHPKWWWRLSEEG-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc2ccccc2c1	408902491	OMMQBPZUJGQIGX-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(C(=O)OC)=C2C)cc1	409012254	PRBRSZZMXLALTD-ONUIUJJFSA-N	484.596	5.987	10	40	JKCB	
CCCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OCC	409036565	RRKJDCFGLNNUNX-GXDHUFHOSA-N	468.422	5.766	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)SC2=S)cc1	409053697	OLSDZGSLAIHEAJ-XKZIYDEJSA-N	497.483	6.566	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1Cl	1181630	LOAKIDKALKLZPG-XNTDXEJSSA-N	471.818	5.877	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1nccs1	2073230	LQNUBLRCLFVCCT-NTCAYCPXSA-N	452.026	5.197	10	40	JKCB	
CCCOc1ccccc1/C=C1/SC(N2CCN(c3cccc4ccccc34)CC2)=NC1=O	2320159	NUJPAGMLDNWYNO-NCELDCMTSA-N	457.599	5.421	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3cc(C)ccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	2453463	YWVAKEKOPYBZNG-JCYYIGJDSA-N	477.560	5.416	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S	2666933	SGGBJHOVQUFNQK-XHPQRKPJSA-N	497.689	7.474	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1	8997337	QBQUMRGUGQCFQC-ODUHAEHHSA-N	497.624	5.663	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C	9144499	KWXZDEFYAFRQAM-OPATVOHWSA-N	492.601	5.189	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(=O)c1ccccc1	12630990	DQYUEXNNQLJMHE-JCMHNJIXSA-N	461.564	5.629	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ncc(Cc2ccccc2)s1	13575242	ZSMQWYOSALPLFU-HMMYKYKNSA-N	479.652	5.354	10	40	JKCB	
CSC(=S)n1nc(-c2cccs2)c(/N=N/c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	17995264	AOBKLZXDTDZAGZ-QZQOTICOSA-N	457.484	6.450	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	33334789	JIAXMLIBHLQVPB-LECIVKJOSA-N	476.901	5.812	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1	33458271	KKCVZTHUICJBPV-GQZSXMDHSA-N	487.006	5.159	10	40	JKCB	
COc1cc(C(=O)c2cc(Cl)ccc2NC(=S)NCc2ccccc2)cc(OC)c1OC	95116587	ANDXNBGEYRQFRC-UHFFFAOYSA-N	470.978	5.083	10	40	JKCB	
COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC(C)C	96114778	FTGKRIGUKLIEHI-KRWDZBQOSA-N	488.492	5.108	10	40	JKCB	biogenic
O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1	96114863	UOPSCSVSQQJKGS-AWEZNQCLSA-N	469.276	5.619	10	40	JKCB	biogenic
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C	208517014	ACRWCHJGLAVLEA-OEAKJJBVSA-N	457.574	5.300	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224170335	LVTZIGZRZRSKES-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1	408763500	SMLWNHFXUAWNST-CPNJWEJPSA-N	498.435	5.795	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1	408787107	RNDSUERNSNVIFF-HYARGMPZSA-N	463.990	5.141	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)cc1C	408878539	BSRJRNXLZXPCMF-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C1=O	408892601	BKDOKNGXNIDKQS-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccc(F)cc1	408971548	IPBCWJXWESZCAG-HAHDFKILSA-N	477.461	6.486	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409020272	NJSUCSAAKZEBGG-BKUYFWCQSA-N	487.427	6.406	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(F)c2)C(c2ccccc2)=NN1c1ccccc1	409092920	WWGQCHCVQJAUBJ-ITYLOYPMSA-N	482.942	6.893	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	409129623	VAWCGACNJYXADG-HZHRSRAPSA-N	461.543	5.671	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)SC2=S)c(Cl)c1	409160377	HNPOTIOKSDYZBP-AUWJEWJLSA-N	473.790	5.207	10	40	JKCB	
O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(F)c(Cl)c1	409184251	WLQXDDQLVUWHHL-YBFXNURJSA-N	473.938	5.643	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1	409228367	XXZLFDUSILUVBZ-LPYMAVHISA-N	495.988	5.431	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)c1	409344209	IBSRUPAQOGSGHQ-BUVRLJJBSA-N	488.634	6.035	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)SC2=S)cc1	409350105	XHEQVXRBINLAPV-BUVRLJJBSA-N	495.597	6.218	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	409375806	PLCKRBDFTQSNHU-WQRHYEAKSA-N	474.376	5.057	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)ccc1Br	1095328	IERWCVIFCMHIDU-WOJGMQOQSA-N	499.748	5.646	10	40	JKCB	
Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C(C)C)C1=O	2328789	BVJTWCBRFUEYOW-UCQKPKSFSA-N	477.655	6.245	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nnc(Nc3ccccc3F)s2)c(C)n1-c1ccc(Cl)cc1	2619012	CPXGZWSIVGICBT-HNNXBMFYSA-N	487.025	6.845	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(OCc5ccccc5[N+](=O)[O-])cc4)C(=O)N=C3S2)c1	2810684	YZENKAYZZGHZIL-VKPUNFQASA-N	497.536	5.150	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3283454	ROVQGTVQPFWYCL-UHFFFAOYSA-N	467.390	5.754	10	40	JKCB	
COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1/N=N/c1ccc(O)c(C(=O)O)c1	4758263	CAMUDURGYCTTQC-RLPYSRNMSA-N	456.436	5.177	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(OC)cc1	8407866	CZPVXQPMYKMVMV-XIEYBQDHSA-N	472.541	5.358	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)C(=O)N(c3ccccc3)C2=S)cc1C	8426645	KUBWOFYGKUDFQJ-MOHJPFBDSA-N	485.609	5.635	10	40	JKCB	
Cc1cccc([C@@H]2C3(O[C@@H](c4ccccc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)c1	8435088	SDWFVBRQPHZKHT-HVNZXBJASA-N	498.534	5.734	10	40	JKCB	
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1C	8820140	HXGJCHPGGMFABI-QNGOZBTKSA-N	473.063	6.357	10	40	JKCB	
Cn1cc(/C=C2\C(=O)N(CN3CCCC[C@@H]3c3cccnc3)c3cc(Cl)ccc32)c2ccccc21	8993116	QQHWLPGAUQCNJP-MJRUJHQZSA-N	483.015	6.299	10	40	JKCB	
Oc1cc(C23CC4CC(CC(C4)C2)C3)cc(CN(Cc2ccccc2)Cc2ccccc2)c1O	9424154	NOYWKGMWVHQTCI-UHFFFAOYSA-N	453.626	6.768	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	13602812	SHJXNJQBXPHKGY-JCMHNJIXSA-N	461.564	5.316	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1cccc(C(F)(F)F)c1	14357228	VMFLDPHUYDLASY-UHFFFAOYSA-N	469.415	5.259	10	40	JKCB	
O=C1/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C(O)=NC(=S)N1c1cccc2ccccc12	16544877	TXOCWWCFRKWZNO-HMMYKYKNSA-N	486.553	5.410	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc(F)c1	16689174	SMDCUEHAOVVYGR-MYYYXRDXSA-N	493.625	6.513	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1	26593473	WNWAZUVJDBVMTI-DHPBROCDSA-N	462.575	5.118	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850226	LXQAAFOWWPRLLG-DXMSMQRWSA-N	472.944	6.246	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc5c(c4)OCO5)C(=O)N=C3O)c2C)cc1	59104397	PKQRJKVQHYJILD-OEAKJJBVSA-N	485.540	5.672	10	40	JKCB	
NC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccc(Br)cc2)c1-c1ccccc1	104115284	ZRBKFDLZJIJXDM-QPLCGJKRSA-N	462.376	6.487	10	40	JKCB	
Cc1ccc(-c2ccc3c(N)c(C(=O)OC4CCN(C(=O)Nc5ccccc5)CC4)sc3n2)cc1	215744537	OBKJJKIIYZHGSX-UHFFFAOYSA-N	486.597	5.707	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223005235	DCAFQCCLBKYVIZ-IZZNHLLZSA-N	456.615	5.261	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223855736	QWXBHODVYMNNAW-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	223887797	RWIMNOMLAGBLMG-IZZNHLLZSA-N	468.630	5.127	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1C	224017830	INFQSXBRHJUVHK-WUFINQPMSA-N	496.636	6.012	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371461	VBAFHBQNOOEXGK-LOYHVIPDSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(F)cc1	224432657	MNBQQIFFOMFBBA-JWQCQUIFSA-N	460.553	5.944	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c(C)c1	408571896	DDSKSSAXOQZXNE-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	408886895	MWPNRKRJIVDTMH-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408993029	BLURMPMJGZJXHB-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O	409019042	XVQJYOVFSNVOSY-MMTNMYCKSA-N	458.583	5.465	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cc(C)cc(C)c4)C(C)=C3C(=O)OC)c2C)cc1	409059735	NUFDODTWVFZPEO-PKAZHMFMSA-N	484.596	5.987	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O	409196023	MKCRJHLXPGRRRS-FYJGNVAPSA-N	484.440	6.795	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1	409239712	DHMWHOKEABUSAZ-RVDMUPIBSA-N	491.446	6.037	10	40	JKCB	
Cc1cc(-n2c(C)cc(-c3nc(O)c4ccccc4n3)c2C)ccc1I	409262477	FGMYPCTYWOFYJO-UHFFFAOYSA-N	455.299	5.323	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1C	2169920	QQYXAXXZZAJQGY-UUYOSTAYSA-N	490.537	5.245	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	2222795	ZZWMBDDHFVCXGS-HFITWMCCSA-N	459.458	5.875	10	40	JKCB	
O=C(OCC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(C(=O)C(=O)c2ccccc2)cc1	3413001	NETSYVKSQYQWGA-UHFFFAOYSA-N	491.543	5.138	10	40	JKCB	
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(OC)cccc12	5008998	YOGYLHMRTKESGK-UHFFFAOYSA-N	457.939	5.174	10	40	JKCB	
CCCCCCOc1ccccc1/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	8442742	MWTOPWWPENVKHS-QQTULTPQSA-N	469.541	6.388	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	8495606	JBTKIQBYBKULHJ-XDWJAMLSSA-N	469.497	5.349	10	40	JKCB	
O=C1N=C(S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	9043250	XQJUGKVZQKDGQO-GDNBJRDFSA-N	461.301	5.635	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	9170602	AODAHHZPIIFZNT-YIRPMMGJSA-N	496.394	6.863	10	40	JKCB	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	13777543	JUHGSJBZVDODBQ-LRQZKABGSA-N	466.378	5.020	10	40	JKCB	
CC(C)(C)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1	19789755	UHRRDZJUZYVRPH-UHFFFAOYSA-N	461.480	6.203	10	40	JKCB	biogenic
C[C@@H]1C/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1	33794678	NGOSHZCUWMINTE-JFPYRBRCSA-N	457.530	5.954	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2cc(Cl)cc(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12	41076741	IJHHMEATYLJFLP-JEWQOCPQSA-N	456.314	5.045	10	40	JKCB	
C[C@@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl	96936038	YIUJUBPNSRABFP-HIPMGEKLSA-N	483.417	5.601	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(N(C)C)cc1	101395135	VHJIRBUZPVSVFB-SMSORMJASA-N	465.597	6.713	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	223054215	DOBBOMLDYGXAGL-XZOQPEGZSA-N	499.478	5.261	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	223759399	BVMQDPNOQKMDPE-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224831562	FBGNBVSJHIJRLJ-CLJLJLNGSA-N	485.613	5.078	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Cc2ccccc2F)c1	408875395	FGEXTMCITJACQR-FYJGNVAPSA-N	478.907	5.053	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	408946175	YJMSXFPCELGCIZ-HYARGMPZSA-N	475.888	5.269	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409019201	YKCCRHHGDXZRRU-OEAKJJBVSA-N	476.363	6.402	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCc1cccc(Cl)c1	409048453	WPGVVUYLSBYUGY-YBEGLDIGSA-N	492.831	6.421	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1	409228331	XJQOYVXXUHKWCO-MFKUBSTISA-N	469.972	6.053	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC3CSC3)cc1)N2	409335568	KHSICPGQIJFMCD-CLCZQPDDSA-N	490.650	5.808	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1Br	409341287	AXFPJBHKQHWXRU-GZTJUZNOSA-N	452.370	5.783	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)o2)c([N+](=O)[O-])cc1C	409352019	VPERPKJHSYTGFL-ZDLGFXPLSA-N	485.568	5.079	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N(C)C2=S)cc1	680418	IDWSTOPEZKOKDT-HZHRSRAPSA-N	457.599	5.193	10	40	JKCB	
CC[C@@H](C1=NN2C(=N)/C(=C\c3c4ccccc4cc4ccccc34)C(=O)N=C2S1)c1ccccc1	8411399	RAJDXCVLLBNDSN-NTBSUXFJSA-N	474.589	6.806	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087948	SUMIHMPKXQSMDL-SDHSZQHLSA-N	488.370	6.016	10	40	JKCB	
O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N2	12375062	AGLJHKDQSANDEZ-WWMYMODYSA-N	498.423	5.755	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C/c3c(C)nn(-c4ccc(Br)cc4)c3Cl)C2=O)c1	22821188	BTAYUYZTJUXDIS-WQRHYEAKSA-N	499.752	5.412	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(F)c2)cc1	103922463	ADCIWBFRQVGUEZ-HMAPJEAMSA-N	492.963	6.234	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1	112298315	BWCLFYBPQRJCKH-ITYLOYPMSA-N	471.513	5.139	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	222970717	MHEOCBQFWQIKIK-ZEQRLZLVSA-N	479.606	5.179	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223057727	PVZULDYUCZPLLH-DHIUTWEWSA-N	489.472	5.805	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1	223384834	VWJWFIJQLZPFMZ-FTJBHMTQSA-N	473.045	6.315	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223429164	CVXDFNRAJJBZHL-RRPNLBNLSA-N	483.641	5.374	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223608221	FAUWMMDWRFIIGR-ORWNMUSCSA-N	480.008	5.815	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223824360	FFNMLPUGQRTAIC-SXOMAYOGSA-N	483.641	5.768	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223894840	ODLXPACIMDSBKO-VMPREFPWSA-N	495.696	6.295	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	225546256	ZZTHFCUVJUNENC-CSYCHJTNSA-N	487.669	5.941	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)CC1	225657184	TUCCLDDUBSFNKC-NRFANRHFSA-N	464.679	5.597	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)ccc1Br	408763778	OUMILUFVOHNQNQ-GZTJUZNOSA-N	485.721	5.337	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Br)c3)C2=O)cc1	408884217	XCEQKCAPWHRONY-UDWIEESQSA-N	493.332	5.154	10	40	JKCB	
O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1	409197373	DBAZWMYNHATAEI-PDGQHHTCSA-N	486.372	5.554	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)SC1=S	409207582	XYQQHSVAXYKZHT-OYKKKHCWSA-N	475.614	6.093	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1Cl	2259706	ATDFRRPWDUUNJS-KQWNVCNZSA-N	493.032	6.048	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1	3317989	IMUDARNWYAJNBM-UHFFFAOYSA-N	492.811	7.309	10	40	JKCB	
CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O	5947714	JAFKOLOZZODKGW-HYARGMPZSA-N	490.541	5.476	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1	6600519	KDTQALNWJJTLJT-HYARGMPZSA-N	496.009	6.364	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCc4cccc5ccccc45)c(OC)c3)C(=O)N=C2S1	8492195	BFGIOLJCESKXRP-FMFOLGPSSA-N	470.554	5.457	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1	8974060	PYUNHEMMDHFSBH-XKZIYDEJSA-N	455.901	5.850	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	9291521	NJGRZVFNYNAOMB-ASFQMBHESA-N	476.602	5.508	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1	9461089	PSPGAUOQXLYVQZ-JIMJEQGWSA-N	492.575	5.233	10	40	JKCB	
CCC(/C=C1\Sc2ccc(Cl)cc2N1CC)=C\c1sc2ccc(Cl)cc2[n+]1CC	13573500	UDTPPSQDGFXXKS-UHFFFAOYSA-N	462.491	7.783	10	40	JKCB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1	16678634	GDNSOXBCVVKVNU-UHFFFAOYSA-N	488.613	5.867	10	40	JKCB	
Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)ccc3c2=O)cc1	19792874	FTKKAVDPPJWTOT-GASCZTMLSA-N	463.452	5.227	10	40	JKCB	
Oc1ccc2cc(Br)ccc2c1CN1CCN(c2cccc(C(F)(F)F)c2)CC1	25394794	WZWKXPAYHKZIKZ-UHFFFAOYSA-N	465.313	5.649	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1	26712536	DRXZAIURMJQJMX-RDJYZGLESA-N	462.575	5.036	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccccc1Cl	27519419	HGINAEWNYAALJI-NBVRZTHBSA-N	492.789	8.378	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)N=C3O)c2C)cc1	34388810	GPVKNEBZXUUWKW-CIAFOILYSA-N	467.447	5.928	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(F)cc1	40006373	OFBWEJIWQSHCJV-CVHFWEDTSA-N	473.591	5.184	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3ccc(F)cc3)SC2=S)cc1	41108550	XJGCMDISRQFWAB-XKZIYDEJSA-N	485.989	6.473	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58847744	HWYMRQARYLDMCW-XLNZFTOWSA-N	471.409	6.621	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1	58848426	HHGVQJVUWQYRRX-OBTVHEKISA-N	460.599	5.939	10	40	JKCB	
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O	102759463	PROHNLRRZLTDRT-FUPPJEDESA-N	499.350	5.149	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C	208511312	IUBUPIWTGQCSMM-XKZIYDEJSA-N	479.577	5.523	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223534062	WAOLXRVNRNOPEQ-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224187923	CNXKRKIHXKTRCS-CLJLJLNGSA-N	482.609	5.453	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436291	GZIITSFHGNVATG-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224529483	SREJTFURMCTCFI-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O	408585781	IMNHNNGXTWDCMG-ZSOIEALJSA-N	483.145	5.339	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)c1	408753672	KHQDGJYMCHHGIH-FYJGNVAPSA-N	467.750	5.946	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C(=O)N(c3ccccc3)C2=S)cc1C	408775571	IFSAOASMCJZXTN-IMRQLAEWSA-N	497.664	6.585	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)c1	408801871	WFPYXDOQCPZEAE-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2ccccc2Br)C1=O	408865022	BEWGOAZQIKSIJB-HMMYKYKNSA-N	475.342	5.015	10	40	JKCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12	409017419	ZPNYHLZLRMBXCD-CIAFOILYSA-N	489.959	5.313	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1	409131744	XVQIYHOXUOODOG-ULJHMMPZSA-N	474.582	6.292	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1Cl	409237517	UYTXGHMVNCVQTL-JAIQZWGSSA-N	484.408	5.541	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)c1	409326848	FIGCRLSHBXKKRY-ZDLGFXPLSA-N	485.926	5.402	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(C)C	409330827	MZMYDBUREKXKOG-FBHDLOMBSA-N	457.573	5.255	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1	409331009	NYARFKLBYAFFBL-ZMOGYAJESA-N	491.590	5.799	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc(Br)cc1	1103039	OLYDSZLRQMOYEY-STZFKDTASA-N	472.452	5.589	10	40	JKCB	
CCCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(C)c(Cl)c3)CC2)=NC1=O	2313667	RBTUKUZGMWLFIP-XQNSMLJCSA-N	470.038	5.620	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	3769264	LTVVCBKZRMGXEG-UUYOSTAYSA-N	486.445	7.287	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4cn(Cc5ccccc5C)c5ccccc45)C(=O)N=C3S2)cc1	8451389	FWCVFBZIQOTVSU-CQEFFZBYSA-N	489.604	5.974	10	40	JKCB	
CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N\c5ccccc5)c5ccccc45)ccc(c23)N1	8603133	YCUVUDODLRLVIC-ATKLANMESA-N	456.553	9.397	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(F)c(Cl)c1	9232356	RTFHOMHLZXBMQF-GIJQJNRQSA-N	495.340	6.707	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	9310945	QGTKWNPIAMWGDV-SKQFIHRFSA-N	459.236	5.435	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1	9884871	AHACRWOJRGTGSO-UKQGIEBLSA-N	493.562	5.150	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)c2C)cc1	15227653	CQQMUQZTFNGEMW-QGUUBAPPSA-N	459.600	5.386	10	40	JKCB	
CCCc1ccc(Oc2c(C(F)(F)F)oc3c(CN(CCC)CCC)c(O)ccc3c2=O)cc1	19793908	UOOGRPHJURKCGI-UHFFFAOYSA-N	477.523	6.884	10	40	JKCB	
COc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O	23114505	FEQPFXLKIOINDN-AWEZNQCLSA-N	463.452	5.550	10	40	JKCB	biogenic
O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1	32124845	VOKMQCMAAXACIK-CXUHLZMHSA-N	486.518	5.104	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1c1ccccc1	33333358	GFAMOQLEYKLPPJ-QNGOZBTKSA-N	473.985	5.574	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	34910129	XLVVILYJOUVTAI-HMAPJEAMSA-N	460.511	5.055	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1	41076369	BPIUCWXJIWEFFK-GQZSXMDHSA-N	479.518	5.063	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1	58848370	ZUZDXLIGGZRGEA-VRUMLPLGSA-N	498.570	6.950	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(O)=NC(=S)N1c1ccccc1F	59135906	XIWQDLPAKGCVFK-CPNJWEJPSA-N	450.466	5.215	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1	96193314	HLYZSDXUAPYFQG-BKUYFWCQSA-N	490.943	5.822	10	40	JKCB	
O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)C(O)(c1ccccc1)c1ccccc1	103561243	GFQJFCROKPDQGD-OCEACIFDSA-N	450.292	5.182	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223053616	ADBCSOMOICARKO-PKTZIBPZSA-N	455.027	5.152	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223428603	ILBOTKXKTSPGJZ-SXOMAYOGSA-N	483.641	5.374	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223428654	ILBOTKXKTSPGJZ-RRPNLBNLSA-N	483.641	5.374	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21	223483202	OMWGXYGYMQJTAC-CIAFOILYSA-N	480.033	5.582	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(O)cc1	224604487	SJLVJBPFQMZWED-JWQCQUIFSA-N	456.571	5.077	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1-c1ccccc1	225382666	PBJSCYBYNRTOQW-FQLXRVMXSA-N	494.664	6.679	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1C	408578599	ZDACRSZUAXXUQG-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
COCC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1	408839928	BKVUDVNXBUITMC-WOJGMQOQSA-N	485.323	5.693	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409058205	JDHHDDKFSFEGKA-HMAPJEAMSA-N	460.505	5.119	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	409183200	QLOWUCAQQVVEGM-WSDLNYQXSA-N	469.990	6.772	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1	409231468	JFFCVMVBTSSQLQ-UHFFFAOYSA-N	462.509	5.073	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c1C	1147028	HDEHUPZQRFLIMX-HYARGMPZSA-N	461.562	5.776	10	40	JKCB	
CCN(CC)Cc1cc(C(=O)C[C@H](c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	1558461	AARWOQDVALPBFX-HHHXNRCGSA-N	465.615	5.330	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	2700972	UYRKJHBGJXLWOM-SYERDGIWSA-N	492.018	5.382	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	6057151	JWRFBVMNCFWSHD-UMFSSWHCSA-N	474.582	5.409	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1	8821765	HRQCETJHSWEVLK-UQQQWYQISA-N	477.029	7.344	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1	9075873	IYECFIUQNVYWPQ-LRSOKBAUSA-N	496.394	6.023	10	40	JKCB	
O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	12311998	CAHBXFHNYDMWMJ-UHFFFAOYSA-N	489.556	5.532	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(=O)c1ccccc1F	13096077	WQWNWPBUTRMBCM-UCQKPKSFSA-N	476.529	5.753	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)O)cc2)N3)cc1Cl	14166041	QBVBLWYQYUIBEE-CZSZKKDXSA-N	495.000	5.974	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccccc2Cl)cc1	20288569	ZDEHDEVRLVWQDY-KQWNVCNZSA-N	489.000	5.773	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1ccccc1	26676003	COINFSAHEYALLR-BWAHOGKJSA-N	491.634	5.945	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)cc1	30721687	AWMBKYTYDOCJPR-PCHQCWAOSA-N	450.589	5.939	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)c3ccccc3C2=O)cc1	33039436	RZPQMZLCEYUFKB-USHMODERSA-N	462.549	6.220	10	40	JKCB	
Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1	33157373	FWIJBEFGTNPSFQ-SNCYIGMASA-N	468.582	5.488	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	33794642	YLQHVHLKTPYIOA-AQQGHWPGSA-N	487.673	6.691	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1	40942100	ZDXPJISSKFPYPG-NVNXTCNLSA-N	470.797	5.179	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	59639137	HOWUBRZHBAJIRT-GDNBJRDFSA-N	486.267	5.666	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21	208218798	OYTUQNOYBFOALR-RANIVTSPSA-N	484.021	5.737	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	208254141	CHJDNBFTNDHTSR-YYLUKMIBSA-N	485.993	6.207	10	40	JKCB	
COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C	222556875	XFFWLYAFMWOGAB-UHFFFAOYSA-N	479.024	5.967	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N(C)C)cc1	223100299	SHQQMWRWWNTODQ-SVBPBHIXSA-N	473.690	5.860	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223230458	YNZXOZURZRZHNQ-AOYPEHQESA-N	461.679	5.030	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223780500	OQKSZXTXNRKPKF-CLJLJLNGSA-N	470.598	5.375	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(Cl)ccc1O	224158959	SJQZAMUETJUMDE-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224234687	XVBURDDZOMWSRZ-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224335232	FCRZOLLSMQDCKJ-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)nc1	224406142	MAZFXDQFXATWER-DQEYMECFSA-N	457.578	5.509	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224533497	SMUSXZFBQMRSJG-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408742415	OUWQYXGIZRUCBJ-HYARGMPZSA-N	457.482	5.862	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1	408990860	OOVFKCVZBCPJHJ-JCMHNJIXSA-N	460.917	5.148	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409052123	BVUSAAWEYSAODO-HMAPJEAMSA-N	450.579	5.130	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccc2c(c1)OCO2	1174703	AIWLDOUQIHTGKI-OQLLNIDSSA-N	471.252	5.489	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c2cc(-c3ccccc3)sc2n1	1895992	QNNGIRALOSGUIN-UHFFFAOYSA-N	487.625	7.188	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	9210381	ZCBDWUSSXWYHQQ-DALCUZTNSA-N	470.942	5.075	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	17150218	PMERJEWEPJTBQY-JAIQZWGSSA-N	485.367	5.867	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(C)cc12)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288117	XDJBPFVLLIGBBA-XHPQRKPJSA-N	479.540	5.242	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S	27026096	HMWSLSCIMAWBFO-HAHDFKILSA-N	477.655	5.819	10	40	JKCB	
CCOC(=O)c1cc(N2N=C(C)/C(=C/c3ccc(-c4cccc(Cl)c4C)o3)C2=O)ccc1Cl	32099582	CHVUJVYOYJMLPB-UYRXBGFRSA-N	483.351	6.545	10	40	JKCB	
Cc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	33430352	YLDARGAKQXKORG-BWAHOGKJSA-N	475.635	6.244	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(CCCC)cc3)C2=O)cc1OC	35039106	ZRIHHJDJULPUQU-HAVVHWLPSA-N	455.645	6.623	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OCc1cccc(C)c1	41083686	VVIFYLKKHMVQIZ-PXQJKHDOSA-N	498.402	5.512	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccc(F)cc1	83312677	MTISUKUBZDMHAA-YBFXNURJSA-N	480.879	5.573	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1	106703565	YDGCGNSNOMMJFS-JAIQZWGSSA-N	453.903	5.843	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	205659509	NRTAVZSAWPUWMB-SRZZPIQSSA-N	475.372	6.777	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	208223307	VFURJVKBIJOGRO-RANIVTSPSA-N	451.548	5.553	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1	208464278	CTNYPNMNMQIBLH-HYARGMPZSA-N	459.615	5.020	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21	208470943	YZJRBVVSVIIRDU-FBHDLOMBSA-N	456.970	6.347	10	40	JKCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222786262	LATPUTAHZWZMQP-NHCUHLMSSA-N	455.425	5.244	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223095576	GRBDDBMLZYNDBG-KAYWLYCHSA-N	458.675	6.357	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223767955	PWQUKSAFVSPRRD-JWQCQUIFSA-N	469.614	5.378	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607191	YGHJRDBGVYTGHT-BDYUSTAISA-N	468.626	5.989	10	40	JKCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1	408572231	FTFRCJMNSRIYLC-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CC=C[C@@H]21	408736073	DBKHGEWENRBXSR-NYULUDCUSA-N	472.415	8.552	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1C	408795280	BUBYNXZPPZXKOY-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)S1	408812512	WTDZDXIKXMUQHT-UHFFFAOYSA-N	467.014	6.136	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F	408897670	SLDSSWDJSAVDJB-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1	408901299	WYGHCPQVFAQEGI-UQQQWYQISA-N	470.525	5.029	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCc2cccc(F)c2)=N1	408985228	AIHIYGHUYHIYLM-VWLOTQADSA-N	474.605	5.738	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1	408994919	HVRHMIIOTHNQQC-MFKUBSTISA-N	479.605	5.446	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409020089	LVLMUBYECJMWFW-MTJSOVHGSA-N	499.369	6.417	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)NC2=S)c(C)c1	409138807	IHQAPXRRXRKHSS-LFVJCYFKSA-N	479.605	5.695	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C	409179659	NAHRJLDAQZMYCA-NDENLUEZSA-N	479.539	5.018	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409220650	CSOGECVTBNZEEN-PCLIKHOPSA-N	486.641	5.115	10	40	JKCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O	409251624	VBLRPQYLLRJOTB-PCLIKHOPSA-N	494.588	5.885	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)C(C(=O)OC)=C2C)cc1	409272995	UQWLUKOPGZSFRW-ITYLOYPMSA-N	453.538	5.705	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@H](C)CC	409339795	YNGRPRFSJBAKSG-FAPYRAKZSA-N	458.561	5.577	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	1462142	JFLWPMOKXMFWHF-UYRXBGFRSA-N	450.545	5.059	10	40	JKCB	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccccc2)cc1	1874920	NVDWQTNDGZCIQV-UHFFFAOYSA-N	459.571	5.618	10	40	JKCB	
O=C1C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	2386539	RMTCOFMWGCFOGX-UHFFFAOYSA-N	499.595	6.583	10	40	JKCB	
COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)n2C(C)C)cc1	3365027	XFQMDXGDUNCQOB-UHFFFAOYSA-N	460.603	5.917	10	40	JKCB	
N=C1/C(=C/c2cccn2Cc2ccc(F)cc2)C(=O)N=C2SN=C(SCc3ccccc3)N12	9190453	IPQMDDQIMQZLEI-HHGYXRTLSA-N	475.574	5.186	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc(F)c1	9296563	ORMSSTSKCLHSPL-VCHYOVAHSA-N	450.343	6.798	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	9427769	ZZWMBDDHFVCXGS-XWCAUFEOSA-N	459.458	5.035	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c(C)n1-c1ccc2c(c1)OCO2	13141977	QJZXGZNGNBMWNB-UHFFFAOYSA-N	467.930	5.731	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1	13674500	HTWSCTZJBWHFNH-UHFFFAOYSA-N	491.657	5.333	10	40	JKCB	
Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	13899098	HVOHTQMKGGRJOR-UCQKPKSFSA-N	476.579	5.884	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	33380440	WGHROBPGZHWMEC-BYHVMHSWSA-N	491.979	5.863	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1C	33635662	LFGZXNLLVRKTIL-QRVIBDJDSA-N	483.008	6.994	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	33665931	SOUDAMGPZWSNBN-SMIHKQSGSA-N	485.967	5.982	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1	58848605	AZKOFQMRTOTPAI-XXAUWVGASA-N	476.598	5.721	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1Cl	223349172	VLJOXOQLRAZDCY-RPWUZVMVSA-N	497.451	6.562	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1-c1ccccc1	225358566	QZNKMIOHPHPLKI-SVBPBHIXSA-N	468.626	6.145	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2cccc(Br)c2)C1=O	408763029	NDORUSLUXDERHB-DEDYPNTBSA-N	467.750	5.946	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1	408765891	RJQLFDSGGPLKQH-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(Cl)cc2)cc1	408842170	NDQQWKKOLMXKRR-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408865427	CJSZDEDNVWSBKL-BKUYFWCQSA-N	494.975	5.300	10	40	JKCB	
CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	409039985	DYKNJGZXMMGRRH-VIZOYTHASA-N	467.736	5.348	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O	409104958	GZILKFIIJMPXOV-QFGUUYLXSA-N	483.351	5.990	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409125698	DWCILRFTHRNOSZ-GENIAPEFSA-N	480.699	6.522	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21	409167651	JESOYQCTDKSQGB-YZIHRLCOSA-N	452.450	8.421	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)c1	409329347	FETQEOIMTOGKLO-XYGWBWBKSA-N	486.687	7.126	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1cccs1	409344477	JJDQFNDNWHUFKO-XDHOZWIPSA-N	487.027	5.527	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccccc1O	2059085	BHGPGAXRNKVGKI-SILNSSARSA-N	484.349	6.886	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)c2C)cc1C	2662661	SCBJJGAXYTYLRV-UHFFFAOYSA-N	490.600	5.928	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3319783	SSKRDABPGBHNTM-UHFFFAOYSA-N	489.902	5.738	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2C)cc1	3360415	ULFTZZPNYZEIEZ-UHFFFAOYSA-N	456.542	5.503	10	40	JKCB	
O=C1/C(=C\c2ccco2)SC(=S)N1CCCC(=O)N1c2ccccc2Sc2ccccc21	8820346	QORGGZVAVWJFCB-RCCKNPSSSA-N	478.620	6.091	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OC(=O)c1ccccc1F	9805369	PNIHXFVTSYQANH-BKUYFWCQSA-N	483.517	5.598	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	9884792	VPYGCSKRCYSMCT-TVNWYLLRSA-N	455.944	5.627	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)c(C)n1-c1cccc(Cl)c1	13039431	OBJODXCOGISMIT-YSMPRRRNSA-N	467.956	5.866	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1-c1ccc(Br)cc1	13801997	JYKILYPXHAUAAL-MOSHPQCFSA-N	480.387	5.528	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	14133144	AOFJVDOPKRWQPJ-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)S2)cc1Cl	33743742	WGYSHHXJJYNJRU-CHHVJCJISA-N	452.717	5.402	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847559	IHQDGMFINZLKQI-UZINWLIJSA-N	497.016	5.985	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(O)=NC2=S)c1C	59105261	DREAKYDWVGATCA-IZZDOVSWSA-N	484.169	5.093	10	40	JKCB	
O=C(N[C@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1	102057872	MXZMLJQVLFPZGX-PRTKFVRJSA-N	496.807	6.108	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc2ccccc12	113837908	SYHFLXILWAAREG-GIJQJNRQSA-N	461.351	6.461	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3ccc(Br)cc3)=NC1=O)[C@H](C)CC(C)(C)N2C	208233164	LNRHJNUUYBZYHV-OFNOZLENSA-N	484.463	6.562	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1C	208238982	MVTOKZXANLWHBO-BKQORJHRSA-N	482.049	5.510	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223422897	KBZQLVHLRKYADH-VSGBNLITSA-N	498.652	5.679	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1	223536290	CIZHXZCLQMYWFV-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224015711	OUITVOTZQSDINK-RRPNLBNLSA-N	498.608	5.404	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224201303	TVHFIKZXESITHB-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224436493	CMYLKXMXCFAWRK-AHKZPQOWSA-N	470.617	6.422	10	40	JKCB	
c1ccc(N=Nc2ccc(N=Nc3ccc(/N=N/c4ccc(N=Nc5ccccc5)cc4)cc3)cc2)cc1	245239337	HXWHXECPBINUKM-CPHMHXECSA-N	494.562	11.348	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260925622	WGPAMQNTTLXPKO-RRPNLBNLSA-N	468.670	6.453	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC	408761188	CGOMJGKBQOXPOL-KGENOOAVSA-N	459.929	6.031	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)cc1	408774105	ASERZSLFFIGPJZ-WPWMEQJKSA-N	485.543	5.818	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408864196	XHLOGNURKJSKCQ-RNHFSVANSA-N	461.945	6.452	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1ccccc1Cl	408870639	WFTIIXAAPKXADO-UDWIEESQSA-N	481.335	5.259	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1	408894654	INORLYCHWBDPLT-HZHRSRAPSA-N	454.526	5.166	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SC(C)C)c2ccccc12	409035632	JRWVFHGJECPCFA-MHWRWJLKSA-N	476.470	6.842	10	40	JKCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O	409102687	SXKRQTYVZOWKAU-MTJSOVHGSA-N	458.967	5.194	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	409189121	IUPAJVFKKDTUEB-UDWIEESQSA-N	498.366	5.466	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1	409210895	HKSQOLOWLJUPTK-NSIKDUERSA-N	473.732	5.556	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1	409220457	ZXRVSILVLAHAOU-DEDYPNTBSA-N	473.392	5.215	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409330206	JSLCGRKAPVNVSU-HYARGMPZSA-N	477.611	5.264	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409339299	GZMRDAYFJHZCTM-MFOYZWKCSA-N	484.477	5.636	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S	409368799	NNPGOBWJGPWHKR-AUWJEWJLSA-N	492.331	5.950	10	40	JKCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	2429938	ZBGHLQLHUBEQSD-VUEOATCUSA-N	463.510	5.053	10	40	JKCB	
CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C	4048112	NIGZPTWLFGMEJW-LROCXXJGSA-N	453.995	6.251	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1	4149933	JWRFBVMNCFWSHD-PPJWLVRDSA-N	474.582	5.409	10	40	JKCB	
COc1ccc(N2[C@H](c3ccccc3)SC3(c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1	8446422	XFWSMBMKKWFALE-SAIUNTKASA-N	497.663	8.613	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	8872229	PUMIQNAEMPCWEG-LDADJPATSA-N	477.314	5.837	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O)=C\c1ccccc1	8951608	HRGWFTNCKYJGSZ-MBOPZJHMSA-N	491.465	6.560	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1Cl	9425466	ULSCRNQXSNMVKX-ODLFYWEKSA-N	462.379	6.668	10	40	JKCB	
Clc1ccccc1-c1noc(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)n1	11644309	CDQAFHWHDDXVGN-QGZVFWFLSA-N	452.967	5.725	10	40	JKCB	
Cc1ccc(C)c(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)c1	13799432	XOIPIHZKBKLMJV-ZEAYLUBASA-N	495.604	6.066	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O	14133139	BPSWQUADCLRYET-LFVJCYFKSA-N	480.495	5.533	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCc1ccccc1	16699724	DBRGMJOWMPUXHT-WCIBBKAISA-N	461.608	6.237	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1F	16729216	BCODIZRNKOXFFE-LRSOKBAUSA-N	481.618	6.077	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	26580592	VZCPTHCEUZHJNX-XDXPSGJKSA-N	492.601	5.045	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl	32099425	SQHRLXILLVVNAB-WQRHYEAKSA-N	473.743	5.687	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	36079814	XTRRGNSKQSRNBD-BSRJHKFKSA-N	454.784	7.704	10	40	JKCB	
CC[C@H](C)CCCCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O	45337516	FIEXPCXAWNKDMT-SANMLTNESA-N	476.742	9.323	10	40	JKCB	biogenic
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(OCC)c1	100324686	GLVHLYAGPUHIJD-HAVVHWLPSA-N	474.988	6.904	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)cc1	100786404	FHKCVDFAJMBRJH-OVVQPSECSA-N	462.553	6.133	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	208693689	HDUAMJDVLADMED-WQRHYEAKSA-N	453.457	5.169	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224602263	SJMHOJSSVSESNV-RRPNLBNLSA-N	468.626	5.934	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C	260766258	JLMHWRINDACEPP-DURYTUKUSA-N	453.011	5.740	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1OC	408758465	KKUCRIDTAROSTI-UDWIEESQSA-N	481.321	5.440	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408882101	PSVGIFYGRLUYNS-GTBBCORBSA-N	489.399	5.253	10	40	JKCB	
CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1	408942155	XVWQWMAMPCLIKM-JLPGSUDCSA-N	490.943	5.374	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	409159732	WURDGOFPKYIEKI-IPVFLDMMSA-N	463.002	7.675	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1	409245408	SHJHBQPBYSVWHL-JLPGSUDCSA-N	467.500	5.058	10	40	JKCB	
COc1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	409333264	INTQYJSTZHIJCF-UHFFFAOYSA-N	460.562	6.907	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)c1	409344255	IKPSULGNTNYBCB-XKZIYDEJSA-N	486.445	7.287	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1O[C@@H](C)CC	409350706	YLZRUCPFRUDOLM-OMBDHMDGSA-N	478.035	6.330	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(OC)c3)SC2=S)cc1Cl	409354707	BJOHVTFHKKOCCI-PXNMLYILSA-N	457.907	5.364	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S	409371994	NLUSRBBDRQLJSM-MKMNVTDBSA-N	474.778	5.290	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	2449477	XYKKAQNIGLYBJI-TWJOJJKGSA-N	451.497	5.157	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	8821277	RIVYPJLFGQSKOJ-JLPGSUDCSA-N	496.053	6.372	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	9038864	HXKBOHRDRCCDBF-OEAKJJBVSA-N	492.578	5.584	10	40	JKCB	
Cc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	9042756	PRHVJHJFIHCBJB-DVELLGFNSA-N	471.586	5.304	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9193039	FIAIQKYSFUSAHI-ZEAYLUBASA-N	495.652	6.669	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9210144	HRCYYOSZZCDMHA-SSBOKUKZSA-N	499.541	6.142	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9307555	HLEZSDMAPKDIDK-BRKMNUETSA-N	484.368	5.661	10	40	JKCB	
COc1ccc(-c2nnc(S[C@H](C)C(=O)c3cc(C)n(-c4ccccc4)c3C)o2)c(OC)c1	9464440	QNZFIDIDINCKSN-QGZVFWFLSA-N	463.559	5.525	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(Br)c(OC)c(OC)c1)N2	16687905	BTRRFDVTDGACJU-XFQAVAEZSA-N	458.352	5.470	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c(OC)c1	35039902	CIKXAVBJKJMMBV-NDENLUEZSA-N	468.512	5.278	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1	40006370	UPVLJYPVLXVXMP-UUMRFZBWSA-N	490.046	5.698	10	40	JKCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	41083552	LTZSOLZQNDQNJJ-CDLVGDAQSA-N	464.403	5.341	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)N=C2S)c1	103127051	UHDVQVVBHGAVLZ-JCMHNJIXSA-N	488.012	5.454	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	223101084	WFOPEKFJVZDWAV-DQEYMECFSA-N	499.511	7.101	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	223519414	SIAAVZIAKGCLMW-CFRMEGHHSA-N	491.613	6.550	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccccc4C(C)(C)C)c3)CC2)cc1	224174345	ULKXCPJZOQTNFM-UHFFFAOYSA-N	488.628	5.543	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl	224956794	FTEWVWXPEYPFJJ-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N(C)C)cc1	225017708	FNJYDBMETCLBRU-FTJBHMTQSA-N	459.663	5.470	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225042818	BOMOASMVURKRSW-URLMMPGGSA-N	495.696	6.272	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225342930	ZDASFWJGGJIZCI-FQLXRVMXSA-N	496.680	6.762	10	40	JKCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/N(c2ccccc2)c2ccccc2)SC1=S	256055769	SMLNAOWDAFOQFV-PMKMQUDQSA-N	488.634	5.701	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1	408578525	YKCKWTRRDJKOEA-HAHDFKILSA-N	492.597	5.811	10	40	JKCB	
CC(=O)Oc1c(Cl)cc(Br)cc1/C=C1/C=C(c2ccc(Br)cc2)OC1=O	408742489	PGMYSDXPQIEKHL-MLPAPPSSSA-N	498.554	5.772	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O	408889715	GBOCASUMCWMIKP-VXLYETTFSA-N	499.325	5.686	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1	408944347	ULQGCZBQUBWREW-PXLXIMEGSA-N	475.342	5.470	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409141683	WIRZOJHLNAQFKZ-HMAPJEAMSA-N	478.599	5.183	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1Cl	409174866	WMFNIZINSASGDO-NVMNQCDNSA-N	494.352	6.497	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	409245557	VTZHUUODMRFXRN-HYARGMPZSA-N	492.044	6.011	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OCC	409348960	TWGJJOSIUMFMPR-UYRXBGFRSA-N	492.460	6.351	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N=C2SC=C(c3ccccc3)N12	8837069	IIRPLPOWICHKBO-JJYAYZJSSA-N	455.514	5.709	10	40	JKCB	
CCSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S	9007683	JPTLEVUGUJCDBJ-VBKFSLOCSA-N	459.643	5.142	10	40	JKCB	
CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O	15947078	SCWKDRBFXMBMNM-SFHVURJKSA-N	456.395	5.355	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C(c3ccccc3)=c3\ccc4c(c3)C(C)=CC(C)(C)[N+]=4C)cc21	16607167	NZPKRGXVLQRGAU-UHFFFAOYSA-N	461.673	5.882	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12	32969760	PJOVPUNGHPHIPD-UTQUROFUSA-N	451.504	5.608	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)cc1OC	33316145	VNBJYCGVTWDEEF-HMAPJEAMSA-N	472.497	5.098	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)n(-c4nc5ccccc5s4)n3)CC2)cc1	33435897	SCPIHSCJQSDFDS-UHFFFAOYSA-N	495.608	5.120	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)N21	222695602	NJYRCDLQUFTRGJ-PDIWNELESA-N	470.564	6.487	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	222971068	HCFQCHKGGVKHIR-RPWUZVMVSA-N	479.606	5.179	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1	223601419	OVFRICOWKUZYMU-TTXZLZEXSA-N	475.589	5.171	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224302778	YBPQMPXHBOEFQC-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224534073	FVHNBVHPWUTGRZ-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1	225455145	UGOQCDFMCRBFDE-UHFFFAOYSA-N	479.646	5.189	10	40	JKCB	
Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N1CCCC1=O	260735440	IJJDGTISOXNOAP-AZUAARDMSA-N	450.652	5.406	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C(C(=O)OC)=C2C)cc1	408587843	VBZVDNKDSBRZNY-BWAHOGKJSA-N	483.520	5.533	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc34)C(=O)N(c3cccc4ccccc34)C2=O)c1	408725644	LTGWCRXHLBTBCH-ZXVVBBHZSA-N	498.538	6.590	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(-c2ccccc2)n1-c1ccccc1	408773690	SXUJMJBJCNQHKE-JJIBRWJFSA-N	498.007	5.937	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c1	408901686	HFHICORYGDTWNT-XDHOZWIPSA-N	455.944	5.792	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl	408983872	DRNKZBAIQOOSDV-MHWRWJLKSA-N	461.175	7.772	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)cc2)c1	409108012	UJNLDGVTYJHIDS-LPYMAVHISA-N	461.564	5.678	10	40	JKCB	
CC(C)CN1C(=O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c2ccccc21	409137798	YXBFKRZHRSNNAJ-MYYYXRDXSA-N	451.526	6.141	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O	409330056	KCANLRWEYGOVGM-NSIKDUERSA-N	457.316	5.022	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)N(c3ccccc3)C2=S)cc1C	634898	NFCBYJJZNWFOCX-CPNJWEJPSA-N	452.988	5.767	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	680463	CWXSMSQKUSUGAE-IWIPYMOSSA-N	460.961	5.933	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc4ccccc34)C2=O)cc1	2283970	MGBHKDIICKHZRL-QJOMJCCJSA-N	460.624	6.022	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S	2997585	OKYXKOROFGUDNW-SXGWCWSVSA-N	454.798	5.513	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21	3954376	PSWVJVFHPGZDQH-UHFFFAOYSA-N	476.554	5.197	10	40	JKCB	in-vitro
CCCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC	4136163	HGLNYPLOLMJFGU-SILNSSARSA-N	465.637	5.501	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8818970	VUFFAYZFIFCMNN-FSEGOYHTSA-N	488.439	5.661	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	10130525	NTAAHCHZXJHBGL-STZFKDTASA-N	484.599	5.522	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S	16750567	UMHMTKINXJXXSP-MTUBTWAWSA-N	478.820	6.811	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(Br)cc1O	21345447	HPWYONKDYFPUEX-SOFYXZRVSA-N	486.796	5.231	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	33479337	MEVNYZTWVBLADP-LICLKQGHSA-N	450.379	5.262	10	40	JKCB	
Cc1cccc([C@@H]2NC(=S)N[C@@]34Oc5c(ccc(O)c5O)[C@@H](c5cccc(C)c5)[C@H]3CCC[C@H]24)c1	33821799	MOKMXDVHASCMMM-OFXBGWBLSA-N	486.637	5.571	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58845731	UNZKNZVDQUVMSS-QHWMMSMNSA-N	460.599	6.021	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc(Cl)cc1	208647871	OFQRMLJDLIXBNE-MTJSOVHGSA-N	490.408	7.117	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223392445	KDKIQGZCCXAGML-JWQCQUIFSA-N	453.615	5.365	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	223726911	REJSIYGDTFBUHE-CLJLJLNGSA-N	476.646	5.032	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1	223916713	NRVYYNMRRVYAMP-RRPNLBNLSA-N	483.641	5.432	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c1C	260572278	UIDYJJHSNCXYHX-SKCQWOFPSA-N	465.981	5.345	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc5ccccc45)c3C)N21	260788352	ZBCARHXODNSYBK-ZFWHIUCFSA-N	452.627	6.622	10	40	JKCB	
O=[N+](Nc1ccc(Br)cc1)c1ccc(N=Nc2ccc(Br)cc2)cc1	368053657	JDZHTTGZVGCFOG-UHFFFAOYSA-N	461.137	7.065	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2cccc(Cl)c2)c1	408812309	SEIAKDPDEPYJAE-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)c(C)c1	408817611	UFVJRJQXKQQIDZ-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2OC)cc1	408844705	PCQAQNSWKNMWTM-RCCKNPSSSA-N	463.331	5.301	10	40	JKCB	
COCCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C	408871160	WHJBZPHBOYFPRA-UNOMPAQXSA-N	477.388	5.110	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1	408901337	XHALHIQZIWZXPZ-UQQQWYQISA-N	488.515	5.250	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1O[C@H](C)CC	408905031	SDXRTBVNHHKFOU-IYSPOMMRSA-N	457.368	5.831	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409177869	IGLONBKMMSUYNN-VCHYOVAHSA-N	483.895	7.164	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccn1	409236371	FKSSWLFFJWAPBQ-UHFFFAOYSA-N	478.577	5.237	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O	409244677	HDJVDBYCYLCIJF-LDADJPATSA-N	482.367	5.684	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	409338696	ONJKKZQYAHZTMS-UYRXBGFRSA-N	477.449	5.710	10	40	JKCB	
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(Br)cc1	409338848	PKLQTZJRUQSHGP-APSNUPSMSA-N	494.233	6.099	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC	409339333	HLCDGFSCKNVLFF-RQZCQDPDSA-N	484.824	5.916	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1	2255456	LRYVVVYXQBKHIZ-QJOMJCCJSA-N	474.655	6.108	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1	4047887	VCHQITKZNCEDFE-BUVRLJJBSA-N	494.507	5.721	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	9009537	YPQDIFSQJBKBBU-PXLXIMEGSA-N	494.960	5.301	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	9209951	INOOBEUWQUJKNT-NZPMGEGNSA-N	495.652	6.584	10	40	JKCB	
Cc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C	9659786	MFKMHIWOPORCNJ-ITYLOYPMSA-N	489.662	6.553	10	40	JKCB	
Brc1ccccc1[C@@H]1Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[C@@H]2C=CC[C@@H]21	14186277	AFMXJTYFJWQWLE-IBDQEKDVSA-N	460.459	7.743	10	40	JKCB	
O=C1C(=Cc2cccc(C(F)(F)F)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	16488518	VPAMQKCIRYTRNZ-UHFFFAOYSA-N	452.457	5.454	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C	208305392	VNXSJTZQKHPLQR-NLKUQUHMSA-N	477.630	5.782	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(Cl)cc1	208731301	GGSGNDQRNKFSIA-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223233287	WBBUUHZEOSNXKP-AHKZPQOWSA-N	475.706	5.284	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224239310	NJNRTEZBWHGDEU-XRKRLSELSA-N	480.681	6.900	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cc(Br)ccc1O	408581673	ABUQPXXITUMKMA-UYRXBGFRSA-N	464.315	5.185	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	408775425	GWXWFWMGGZZCGR-PKAZHMFMSA-N	482.624	6.712	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408788650	FTQZLYVKQHGKLP-HYARGMPZSA-N	481.337	5.505	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccc(Cl)cc2)c1	408809290	KXJQPPSKAIAEDL-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	408834091	KZTOTYAOYCHCAK-BUVRLJJBSA-N	490.943	5.373	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408889520	DNQBODPTWGREHW-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	409058527	PGSJJSWPVNRSHQ-QQXSKIMKSA-N	470.569	5.597	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409059356	WRRLKXTYCBOZOL-QNGOZBTKSA-N	489.955	5.805	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c1C	409132839	LEZPIMSCTRZBKI-GZTJUZNOSA-N	471.365	5.702	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S	409199660	CMYNRDLZJMWORX-UNOMPAQXSA-N	465.512	5.197	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1	409215731	DTTIJDACUFGGGB-MOSHPQCFSA-N	479.539	5.587	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O	409237337	IDWPRYAZZKEITI-CPNJWEJPSA-N	483.376	6.119	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)cc1	409328310	RUXGIROWSIRAIJ-MYYYXRDXSA-N	487.625	6.301	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1cccc2ccccc12	409328661	ZOGTZYMSTFFCJG-XYGWBWBKSA-N	498.585	6.733	10	40	JKCB	
CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	1267421	FJKGJLSSHWKYBU-XPAFPMRLSA-N	450.629	5.815	10	40	JKCB	
COc1ccc(N2CCN(CC(=O)c3c(C)n(Cc4ccccc4)c4ccc(OC)cc34)C[C@@H]2C)cc1	2249763	QAXJCJQTWUDTPV-QFIPXVFZSA-N	497.639	5.409	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	2688741	DMRBMPOBFOXPHB-RQZLXBNYSA-N	460.407	7.216	10	40	JKCB	
Cc1noc(C)c1CSCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	3449262	JSMDLKVKYBFVHB-UHFFFAOYSA-N	481.401	5.665	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)S/C(=C/c3ccc(OC)cc3)C2=S)cc1	6143091	RZXGKYXFELUPJT-HMMYKYKNSA-N	484.599	5.128	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	8450618	YNGMVVHIYALHFF-ZKWSLEOOSA-N	487.585	5.148	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccccc1Cl	8492185	HSSOHLHFTGYGDQ-HPFDFQMNSA-N	468.966	5.347	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S)cc1	8818233	OSJNSCPOIRLYLY-ODLFYWEKSA-N	484.408	5.952	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c1	8821297	YOKJEDRZLIZDDO-UCQKPKSFSA-N	466.027	6.942	10	40	JKCB	
O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)SC(=S)N1Cc1ccccc1	9296564	NYJVFVHUVXIRQX-ZSOIEALJSA-N	485.222	5.319	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9309480	SQVKZDQMLBCKLV-MBTIHVDPSA-N	455.587	5.913	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1	9311825	QEFNNASJPORKIG-WSDLNYQXSA-N	479.989	5.731	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	9477928	JYBCTTGGQDFZBT-GLDPYIMESA-N	470.783	7.693	10	40	JKCB	
C/C(Nc1ccc(Br)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288244	KBZWHNCJKYZZPW-QNGOZBTKSA-N	450.311	5.725	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	26965484	KCMSUTDSGXQWLN-NBOCOGBRSA-N	461.612	5.228	10	40	JKCB	
COc1ccccc1/C=C1\C(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C1O	33398413	OTLZEJPUAJZTNI-STZFKDTASA-N	462.889	5.434	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1	35144565	GLHMWOUZNQUROI-ZKZDLDBDSA-N	479.606	5.167	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)SC1=S	35352176	JLGSHONDOYRBHE-ZDLGFXPLSA-N	459.390	5.121	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	41108233	AFDHZPFFXHJHKO-XDWJAMLSSA-N	487.560	5.299	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1	58850339	ZEFQRUKMGQNZTF-RHGYRFJNSA-N	499.951	6.015	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1F	59418151	PGZHGUUEEKGQKV-BUVRLJJBSA-N	495.597	6.218	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	107363341	SXBZGXTZMZTICH-PDGQHHTCSA-N	470.381	5.232	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C	224569124	CXFLTJGREHQAAU-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc2c(c1)OCO2	224607607	OAQMXGLLNKPHTA-UIOOFZCWSA-N	484.581	5.101	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1	225504696	WUEUHPFVRMTZTD-SVBPBHIXSA-N	499.615	5.239	10	40	JKCB	
COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2sc(Cl)nc2c1	225982587	CYWRGTNYTLAMPH-UHFFFAOYSA-N	453.995	5.646	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	408536075	XTZNWYNJCVUYIH-KGENOOAVSA-N	454.041	7.205	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408753319	LWRGMIFEPDFXLX-DEDYPNTBSA-N	481.733	5.635	10	40	JKCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1	408803337	NSCBNBYGZBAXRR-OEAKJJBVSA-N	498.922	5.444	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)c(C)c1	408812424	OVAALGBLYCVPBT-WSDLNYQXSA-N	490.943	5.211	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	408814812	ZRFSHDDTRSLGQQ-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1	408885205	XUANBOBSOIIZKQ-BUVRLJJBSA-N	488.971	5.613	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408909354	GQUHNERWMCQYKA-KEBDBYFISA-N	494.906	5.042	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCc2ccc(F)cc2)=N1	408989822	MGAPAOQXTKRTKO-VWLOTQADSA-N	474.605	5.738	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409053503	KJILJGFUZZNDCJ-UCQKPKSFSA-N	490.987	5.942	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409059595	SJCIXNREHSHCDG-JLPGSUDCSA-N	485.536	5.160	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O	409238435	ZZVLDNIWJDKCOD-HYARGMPZSA-N	475.976	5.846	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409340285	UAVFDQWLQUVIOS-WQRHYEAKSA-N	453.457	5.169	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC1=S	2398545	DDVQXTQEKDRUIM-RCCKNPSSSA-N	488.012	5.883	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Br)cc1	3299288	AJZNDMORDDYNKS-UHFFFAOYSA-N	468.391	6.194	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	8819753	QNBUPFVVZPEKDP-JWGURIENSA-N	452.645	6.012	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1	8821485	KIOIJKNSXVIHKS-UDWIEESQSA-N	450.497	5.463	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	8838201	WTIMGONATOKPFH-NDQRNUBQSA-N	466.349	6.558	10	40	JKCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c(C)c1	9183537	SASLFXOSBDYVFB-IWIPYMOSSA-N	463.537	5.281	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	9281362	AAULNEUUKXQPCZ-BDPOZWGGSA-N	473.989	5.723	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9309803	BVIJXUWKZLSVRT-BRKMNUETSA-N	467.913	5.147	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c(Br)c1	9933387	NADSUYVUVRYJEI-XMHGGMMESA-N	461.315	6.137	10	40	JKCB	
C[C@H]1C[C@H](C)CN(c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1	10339138	KWPWXZDNYIWMIG-GJZGRUSLSA-N	470.960	5.332	10	40	JKCB	
Cc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c(C)n1-c1ccc(I)cc1	12555139	AXYBNTIKUOHOMI-GRSHGNNSSA-N	474.729	5.845	10	40	JKCB	
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O	13748057	AUEWCAYTBULUQT-PGMHBOJBSA-N	492.670	5.031	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCOCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S	13896026	YCKBWKUZFWDLRI-KQWNVCNZSA-N	487.643	5.008	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14414377	RVNAPQCOVCXDRW-BWAHOGKJSA-N	499.563	5.411	10	40	JKCB	
O=C(NC1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]12)c1cc(-c2ccccc2Cl)nc2ccccc12	104480052	RMLONFKGBLFJLP-IDISGSTGSA-N	490.946	6.050	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223615065	QPMNOTADCQBCSO-DNNAEVNTSA-N	493.629	6.640	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc2ccccc12	223854531	BETAJUFKKBAETN-URLMMPGGSA-N	490.632	6.525	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224531874	XGKZBLWCLKDIMW-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
CCN(CCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(C)cc1	225734537	SFQYGWHVMBIUMP-UHFFFAOYSA-N	487.713	6.727	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)CC1	225779505	BAOWPZDDOQDXHA-OAQYLSRUSA-N	463.021	6.646	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)cc1	408769614	XFTWCVQBJJXMBQ-FYJGNVAPSA-N	492.373	5.140	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1	408819594	ZNVMOVZGZIEMFO-PCLIKHOPSA-N	498.579	5.510	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccccc1	408905151	ULKDZQUHEDRBMB-HYARGMPZSA-N	489.959	5.562	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409054260	INSLKDREZZRHMX-BKUYFWCQSA-N	478.951	6.072	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C	409328486	WDTFFVCYGIGNHR-JAIQZWGSSA-N	470.959	6.531	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	409329901	IOMRMZHKBWSLEQ-DEDYPNTBSA-N	451.529	5.327	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1cccc([N+](=O)[O-])c1	409378730	QXHZMQKXHDBVRR-SYZQJQIISA-N	479.322	5.414	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	2425307	DQIOEVRSTNKHDJ-IQGAPNPZSA-N	458.012	5.386	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC	3769266	WHUAGLBEAVWHBD-LDADJPATSA-N	478.433	5.961	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S	4502516	WNPIYKBUHMZUJG-ZDLGFXPLSA-N	458.948	5.254	10	40	JKCB	
CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	8684658	TUXNHFUXZNQYFF-HVIPQOSHSA-N	451.551	5.960	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Br)c1	8820430	YSWFBYYIVQZNBC-KGTQDBRDSA-N	473.417	5.235	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2nc3ccccc3s2)C1=O)=C\c1ccccc1	8820607	ZJTJFBNIWMYEJG-GEZYKDBCSA-N	479.652	5.863	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCSc1cccc2ccccc12	9136909	FNGPERMQFPRTOT-ULJHMMPZSA-N	495.691	6.631	10	40	JKCB	
COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1	9762179	IGHOUGWYDBTHIC-ULJHMMPZSA-N	477.607	5.867	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793014	YQWZTCGFLUUJHC-ZDUSSCGKSA-N	467.871	6.338	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2[N+](=O)[O-])cc1	32124868	STUYTTNGHBZKJG-FYJGNVAPSA-N	482.583	6.599	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5cc(C)cc(C)c5)c4C)C(=O)N=C3S2)c1	33924599	FELMCWBUEKFCNN-LADBVJPCSA-N	497.624	5.718	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)C(=O)N=C2SC(C3CCCCC3)=NN12	41076351	PAYWOFODONNKGW-MLDLNWIHSA-N	482.953	5.238	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1Cl	58848255	XAYRMUUDWUEIOR-BPYKYCOYSA-N	495.988	6.184	10	40	JKCB	
O=[N+]([O-])c1ccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)cc1	59488304	OZEKTLWOKAELAQ-RMLRFSFXSA-N	468.433	5.400	10	40	JKCB	
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CC(C)(C)CC(O)=C32)cc1	102641775	DQMDUMCXUMJFGX-SSEXGKCCSA-N	493.651	7.635	10	40	JKCB	
O=C1/C(=C/c2c(-c3ccccc3)nn(-c3ccccc3)c2O)C(c2ccccc2)=NN1c1ccccc1	104318296	JSSGCLAUFYOTTI-SZXQPVLSSA-N	482.543	6.079	10	40	JKCB	
COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)ccc1/N=N\c1ccc(O)c(C(=O)O)c1	104388930	CAMUDURGYCTTQC-ICHHBZPXSA-N	456.436	5.177	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc2[C@H](C)CC1(C)C	208318794	RSQQKLKQXVKOFY-NXUSMQHESA-N	498.490	6.952	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc2ccccc12	208695883	VGUWIHLXSISQPE-HMAPJEAMSA-N	458.520	6.414	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1Cl	223271447	QTZLBMMLJZXULN-XZOQPEGZSA-N	488.488	5.330	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	223486304	XCGKXIJYRLJSBH-JWQCQUIFSA-N	490.076	5.934	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	223726222	KRQKEOOLHYIDDH-FTJBHMTQSA-N	476.646	5.032	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	224240064	WJQUJPZMKYGANH-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	224327778	QQRTYOKWAJRAII-UIOOFZCWSA-N	453.615	5.624	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1F	224902205	XEGZUHQANYYAPZ-NSOVKSMOSA-N	484.644	6.731	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3nc4ccccc4[nH]3)C(=O)O)c2C)c1C	408634824	VDVZVMASPDAEKL-LPYMAVHISA-N	461.543	5.283	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Br)cc2)cc1	408762627	PURPOTKYDWBOBP-UDWIEESQSA-N	477.314	5.021	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	408875327	JMFCNRBPRWJKLI-HYARGMPZSA-N	493.390	6.176	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408883472	PUYIMAMKBZDBPW-CIAFOILYSA-N	478.907	5.053	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408891556	SJROFYKQNJYCSO-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409078063	HNFQXTUOYWIOMD-BCUAHEQISA-N	480.438	5.953	10	40	JKCB	
CCCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O	409105349	MXYROBXFVRLLHE-XQNSMLJCSA-N	492.597	6.273	10	40	JKCB	
O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409327953	OBHBMECKNQMOSM-AUWJEWJLSA-N	478.742	6.527	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1	409339707	KWGZJLYYOJADHL-XQNSMLJCSA-N	490.606	5.509	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)SC1=S	409343142	GCUFZDUTZFGVMC-NDENLUEZSA-N	451.525	5.368	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12	524729134	FLEBYNSENNSPKU-GBXCKJPGSA-N	491.072	5.208	10	40	JKCB	biogenic
O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1OCc1ccccc1	2311067	KBQWQBZZJCZPNE-XIEYBQDHSA-N	490.028	5.712	10	40	JKCB	
CCC(=C/c1sc2ccc3ccccc3c2[n+]1C)/C=C1\Sc2ccc3ccccc3c2N1C	3123167	PKSGFGUEIRRUFZ-UHFFFAOYSA-N	465.667	7.909	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)c(C)n1-c1ccccc1	3407665	BWHNVVAAXBLYHO-UHFFFAOYSA-N	490.563	5.742	10	40	JKCB	
C/C(NC(c1ccccc1)c1ccccc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	8694712	DYFGNUSHWHZEHF-LTGZKZEYSA-N	492.526	6.214	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cccn2CCOc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1	8914649	JRPDTQVWFFUDKZ-QGOAFFKASA-N	488.302	5.520	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)SC2=S)cc1	16216725	KIAFWYIKOQAMCM-UCQKPKSFSA-N	492.578	5.584	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C	32109356	WCPGEMKJXBVFGA-IUSLSNNWSA-N	498.992	5.062	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(CSc2ccccc2)=NN1c1ccccc1	32639069	BQUCQSBNPQNCJI-HAVVHWLPSA-N	470.981	7.179	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCCOc1c(/C=C2\SC(=S)N(C)C2=O)cccc1OC	33430254	FSZMNUHHPFUXIM-VULIGXMUSA-N	471.644	5.888	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	33740331	XLCDJIMZNNKOSW-AFKBWNQJSA-N	484.368	5.661	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC	33743238	ZAAOCIQSWTUSFW-SJWFJVLYSA-N	451.375	6.262	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58846074	OJJDQMRZLZWGIG-VVZHRXSXSA-N	465.018	6.530	10	40	JKCB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847149	LXUQQEXFTOWEPL-YZUZCNPQSA-N	465.506	5.361	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58847376	ILHJSMSKYFXBHU-GLDPYIMESA-N	471.409	6.621	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847639	XAIMRPDXTBKOFN-ANSQWYIGSA-N	499.463	7.238	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1cccc(C)c1	59135881	VBPSWNUEEDXFPF-CPNJWEJPSA-N	476.529	5.393	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21	208190672	YHOYLVVEYYXCJV-VZWMTCDZSA-N	472.372	5.382	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2C(C)=CC1(C)C	208531146	AOZOWNWELOQUTQ-OYKKKHCWSA-N	489.641	6.000	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223420713	DQJSHIHHCNEGMH-RRPNLBNLSA-N	486.616	5.810	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1C	223464669	RWZFEWXUNBSNAA-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	224164387	KSVAQGMJFNTUCG-DQEYMECFSA-N	492.570	6.685	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)nc1	224274289	WCZCCXMVNFCHRV-SVBPBHIXSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	224464825	DBZUQEQQZBLDNB-RPBOFIJWSA-N	493.463	6.973	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1F	224898573	KMCSOFTYFLCBCV-CLJLJLNGSA-N	474.580	6.253	10	40	JKCB	
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1N1CCCC1=O	260735443	IJJDGTISOXNOAP-ICSRJNTNSA-N	450.652	5.406	10	40	JKCB	
CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1	408637874	AOMYAOVWUNZERE-OAQYLSRUSA-N	466.537	6.022	10	40	JKCB	
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1C	408645240	ULHTXADTVRRLLB-QFIPXVFZSA-N	450.538	6.241	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1	408762414	KFTTVZQXFFJAGK-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2F)C1=O	408881668	JWSXXCLPHGLZGY-UDWIEESQSA-N	483.326	5.698	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	408902734	QRCMHNBCZYJVGB-ZVHZXABRSA-N	487.386	7.532	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C	408961691	UPZGPFFHSOZWIB-PXLXIMEGSA-N	457.599	5.105	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4F)C3=O)o2)cc1	408984998	KATYYYXKEDHRTO-OQKWZONESA-N	465.480	6.344	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)SC1=S	409043764	ZLLIJLPYFYZSMN-GRSHGNNSSA-N	452.428	6.430	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC1=S	409205200	AFOWKLCKTCCVFU-FYJGNVAPSA-N	499.455	5.984	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(I)o3)SC2=S)c1	409344761	GWUWBJAOMLZAPS-WQLSENKSSA-N	459.355	5.012	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	2301887	CUFMVZZPNAFQMT-ZHZULCJRSA-N	467.568	5.198	10	40	JKCB	
O=C(c1cccs1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9307449	PHWPQTSGZBHLSB-CCDWMCETSA-N	477.541	5.657	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1	9461047	MWQGOWXGQZKMSY-ITYLOYPMSA-N	464.594	6.457	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)c2C)cc1	13141784	SOIVCZCQCCGFMT-UHFFFAOYSA-N	468.553	5.569	10	40	JKCB	
Cc1ccccc1COc1cccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1	13785771	CACBSNQZYJROMC-FISJVANTSA-N	451.551	5.878	10	40	JKCB	
CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1	13799009	COXPEKVQGHVCFL-JMIUGGIZSA-N	453.281	5.730	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C(=O)N=C2S1	13800858	SBSVOAGFBLYXIA-CNXJSLBUSA-N	456.930	5.333	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	26641644	SWOFHBDXRJDVCR-IHLSHBBNSA-N	450.882	5.407	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccnc1	27519417	RGXILSXQUORFEV-QGOAFFKASA-N	459.332	7.120	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58846354	IITBSCFPPHONFI-VYKTZEHYSA-N	474.626	6.329	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)c1	58846411	FZDQWXHCYZWJJD-UNVFRBQDSA-N	474.582	5.629	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1	58846751	ZKALODFMVQGQPP-FVVBACEJSA-N	472.654	7.054	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	83302512	MJTDCBMQVWVGSE-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208324363	YNLDRNXOINTSRR-VYZAVGSRSA-N	495.023	5.292	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Cl	214095704	WYEIFUZVXWKTGM-CIAFOILYSA-N	457.382	6.637	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c(C)c1	223541569	XNRJXTAVILNRDF-XTEPFMGCSA-N	481.669	5.982	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)NC1=S	223560373	BUGPPAZNKXYDTQ-ALDSOSFCSA-N	461.631	5.327	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	224558539	NZXFYYPLBPMBCV-DQEYMECFSA-N	455.587	5.070	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)C1	260801665	KLFNXOAMRCSMFZ-VQTJNVASSA-N	472.048	5.805	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260922625	QODLJJONVAGJPW-RRPNLBNLSA-N	484.669	5.895	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1ccccc1Cl	408574851	MXYJAFPJSWSWOR-HMAPJEAMSA-N	495.025	5.759	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(-c3ccccc3)cc2)cc1	408775150	FGWSRHMJAQBZGN-LGUFXXKBSA-N	458.517	7.042	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)cc1	408780437	YKDOOEGGAREMRR-LDADJPATSA-N	468.340	5.376	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1	408864986	AKYOBRUIUNPIRD-KGENOOAVSA-N	465.336	5.559	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cc(C)cc(C)c1	408937312	NYHRSDBHTBDODQ-PCLIKHOPSA-N	468.553	5.723	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O	409105799	KQSOGBJGJJKYJV-FOWTUZBSSA-N	455.297	5.212	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccncc1	409179267	LIEUVAKHKMATLE-SRZZPIQSSA-N	486.977	5.868	10	40	JKCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	409250764	YBWURTJPGMNRSX-GZTJUZNOSA-N	476.863	5.450	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c1	409347123	MFIHLMVVBJUYFO-OYKKKHCWSA-N	472.660	6.817	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1-c1ccc(OC(F)F)cc1	3291801	KZFFVXPIAIRJKQ-UHFFFAOYSA-N	468.529	5.466	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCC(Cc2ccccc2)CC1	8819699	XRRWBFNOOPLZJV-DAFNUICNSA-N	492.710	5.930	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O	11859675	SKCKOANKHCXQER-BUHHDHKDSA-N	496.963	6.145	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=O)N(c4cccc(C)c4)C(=O)N=C3O)c2)cc1	13896745	DREWIXAIKNPUOI-JJIBRWJFSA-N	456.498	5.268	10	40	JKCB	
O=C(O)CCc1ccc(-c2ccc(F)cc2)n1Cc1cccc(CNC(=O)OCc2ccccc2)c1	14153019	QFPIBKAJUTZRAW-UHFFFAOYSA-N	486.543	5.786	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12	15998872	JFBRTGRVLAIKJV-OHSXHVKISA-N	490.490	5.224	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1F	26842518	PAILBQJVBVSHAR-AWLIUGMOSA-N	476.577	5.066	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	33730425	GRJXJJGFCRTNLY-ANYROYSUSA-N	457.534	5.209	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(c3cccnc3)=NN12	33761543	OWTRCYVHKBVBQE-FZMXLXIHSA-N	468.325	5.316	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1	41108866	NXVJBPUILALNCQ-AQTBWJFISA-N	468.340	5.912	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(Br)cc1	58883663	DYIMNPHTNGAJSD-ZHZULCJRSA-N	456.336	5.115	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	59137199	CQVWMGODNDXDIV-GZTJUZNOSA-N	488.371	6.212	10	40	JKCB	
Cc1ccc(C(C)C)c(OCc2ccc(NC3(c4ccccc4)C(=O)c4ccccc4C3=O)cc2)c1	59497685	BXOVUBFYYTZTKB-UHFFFAOYSA-N	475.588	7.084	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc21	208192459	PKKMILQJBWNTOU-GQFJFNLSSA-N	470.436	6.254	10	40	JKCB	
Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)S1	208238662	YZUITSUNKHJFOR-GMECJLQCSA-N	474.457	7.106	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224335532	DHEUGVNUVNUOEM-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C	224557076	FVYTYQNCCDGLKZ-FTJBHMTQSA-N	470.642	5.899	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1cccc(F)c1	408877542	VQFPSHLKSJDJMO-UNOMPAQXSA-N	496.897	5.274	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1cccc(F)c1	408893901	GTLJRYOQFUXSNI-JCMHNJIXSA-N	488.515	5.032	10	40	JKCB	
Cc1cccc(COc2c(Br)cc(/C=C3\SC(=S)NC3=O)cc2Br)c1	408923563	JOAVKMDAKVFUCF-NVNXTCNLSA-N	499.249	5.588	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409017521	XBXWMRHOMOLVDH-MYYYXRDXSA-N	470.569	5.597	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)C(=O)NC1=S	409100506	TYDKVQNHWWJVPL-NTEUORMPSA-N	493.810	5.029	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)cc1Cl	409240645	QVCJUEVIHUEJBA-WOJGMQOQSA-N	471.365	5.702	10	40	JKCB	
CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12)CC(C)C	1946497	XZZJPARMGABTAH-UHFFFAOYSA-N	481.942	6.952	10	40	JKCB	biogenic
CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2451525	IMTRWDSSHNCHHV-UBFVSLLYSA-N	453.925	5.362	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1	8431639	QCJQIOXMFRVBED-AUXOXNLQSA-N	478.640	6.255	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccs2)[C@H]3c2ccc(N(C)C)cc2)cc1	8444231	MZVITIXQDDIEIF-HDQWXURESA-N	484.669	6.317	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	8821287	AOCQGXQZNHQYMP-RXWSAZGZSA-N	476.019	5.764	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1	9210464	GNKZONCODQCWNN-KPQKMHLXSA-N	451.621	5.547	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(CCCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	9309687	NAQXMZMNPRIOTN-UREHTDJCSA-N	499.640	6.166	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3)C2=O)cc1	13685479	IGMALDGGAZAJGC-NWUSPQHDSA-N	457.530	5.587	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccc(C)cc1	13899310	RHZKBVWQSMZQJO-CPNJWEJPSA-N	464.008	5.384	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4cccs4)c(OC)c3)C(=O)N=C2S1	13942955	BJOXSNNJZYQBAI-WEQSZXBMSA-N	482.587	5.175	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2c(Cl)cccc2Cl)C(=O)N(c2ccccc2C)C1=O	15223363	PUQQPYOXGFNLFK-UHFFFAOYSA-N	465.336	6.194	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)NCc1ccc(Cl)cc1	15906216	LBDMBKOWASUHMZ-PDGQHHTCSA-N	496.988	5.239	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(Cl)cc12)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288145	LNAMDOBKHWUSDD-UQQQWYQISA-N	499.958	5.587	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	31963928	ZSSHBMOOPBLSRD-OQZKWKKUSA-N	466.994	6.580	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	106696375	ZCKMQJFPOBSIHI-PKAZHMFMSA-N	488.628	7.517	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2	223102152	OXLAYACVKITAJO-FTJBHMTQSA-N	474.630	5.523	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc2ccccc12	223222570	KKJGIZKWTVMVDL-WUFINQPMSA-N	483.685	5.567	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C	223419886	KLTNPNYYHZOQKU-WDYNHAJCSA-N	496.680	6.233	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224221203	GQDJPBZZURTWDN-SVBPBHIXSA-N	496.636	5.761	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C	224265872	JLITUCNBSSNHIU-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224401485	ORLCKLFTKQSOIJ-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405496	HKVHSTISGGYDBO-XTEPFMGCSA-N	484.644	6.676	10	40	JKCB	
CCN(C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCCC2)C1)c1ccccc1	257283885	PAHWTXJISCLPPZ-JOCHJYFZSA-N	470.617	5.294	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2C)cc1	408551192	MENFORQLXCCYFH-XQNSMLJCSA-N	465.619	5.095	10	40	JKCB	
CCCCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1	408758470	KMCRBXWZBFXFTC-NKFKGCMQSA-N	487.983	6.777	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)S1	408800951	QKVQBHWQVWGTEN-UHFFFAOYSA-N	451.015	6.436	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O	408889018	AQVLBPNJAABAEM-VCHYOVAHSA-N	499.325	5.686	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl	408997469	GPIRZNXJBBEAON-WJDWOHSUSA-N	481.173	6.023	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c3ccccc32)c1	408999621	XAALQHXIFHQMQH-HZHRSRAPSA-N	465.578	5.138	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409056513	HDJCUHCNADHKJC-XYGWBWBKSA-N	458.533	5.809	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NCc1ccco1	409132777	JZLISPYLCZQRSL-UCQKPKSFSA-N	493.654	5.332	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)N1CCCCCC1	409133332	SJGLDXGGUVOKHQ-HMAPJEAMSA-N	479.627	5.038	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21	409167645	JESOYQCTDKSQGB-ISJBWFOZSA-N	452.450	8.421	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)c1	409238054	YWLFJYNCXIQYTF-MFKUBSTISA-N	469.972	6.053	10	40	JKCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccc(Cl)c4)c4ccccc34)[C@@H]21	1565524922	XYVRVPFTQMXCBP-MUUNZHRXSA-N	499.014	5.148	10	40	JKCB	
O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1	2912393	PZSCLIHCZHBINR-WCSRMQSCSA-N	488.306	5.602	10	40	JKCB	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccc2)c1	3249981	LVLXFOGVAXRRNE-MHZLTWQESA-N	452.554	6.248	10	40	JKCB	
Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c(C)n1-c1ccccc1	3251034	GYWXAGRGWCMKNF-UHFFFAOYSA-N	472.492	5.894	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc12	8789574	KLVGKBLGJRUBIL-CQSZACIVSA-N	496.357	5.409	10	40	JKCB	biogenic
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3C)C2=O)cc1OC	8819927	UCQWPYMRBXUBCY-KQWNVCNZSA-N	498.670	5.721	10	40	JKCB	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(Cl)cc2s1	8894602	MQXCYBXHHXXJPC-GRSHGNNSSA-N	495.347	6.346	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1	13898904	OGVSNYUKZJNXHJ-XQNSMLJCSA-N	487.643	5.008	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	14009599	YKQIFXDISWCOES-IWIPYMOSSA-N	486.568	5.297	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5cc4OC)ccc3o2)cc1	16678584	MQQZEOIONSQOPK-UHFFFAOYSA-N	465.553	6.755	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	17299681	PEARCGIUTPVZBH-UQQQWYQISA-N	454.570	5.978	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S)c1ccccc1	40939892	BVLXECSMBCNTNE-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1	103917595	RWLDMAXYLFKVBO-ITYLOYPMSA-N	458.537	6.467	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	106688443	WCMOIWPCKQBWLE-UQQQWYQISA-N	473.598	5.167	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352921	HJJWUJQMJNVJNA-AHKZPQOWSA-N	470.642	6.126	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223973694	NUQLMURQERLNNH-KAYWLYCHSA-N	499.615	5.764	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224533127	ZRBDNUSZTFPBSS-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OCC	408725112	HFMBRPNCEKIMPE-UHFFFAOYSA-N	498.579	6.074	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])cc1OCc1ccccc1	408743665	UCJVDPLIKBERTA-YBFXNURJSA-N	463.873	5.817	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Br)c1	408755386	UNOUSFHOFQQNFD-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408760637	CBNSJOHBHSSSDG-KGENOOAVSA-N	479.305	5.209	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)cc1C	408845335	GBTHRIGOWFPWIM-WSDLNYQXSA-N	461.949	5.339	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(Br)cc2)cc1	408845993	XBLAGDBRSYBSOD-CJLVFECKSA-N	477.358	5.691	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1	408852963	XQHPFRXPOKZHLG-GHRIWEEISA-N	453.350	5.492	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1F	408868695	AUSOOMNIXFWWGI-QGOAFFKASA-N	469.299	5.390	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1Cc1ccccc1F	408875013	HLLAHIVLRKVXRX-RGVLZGJSSA-N	492.934	5.362	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	408895650	VBNPYJHGLABXPE-LFIBNONCSA-N	464.718	5.509	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(C)cc1	408901827	HNJKEIWPSOSOHO-LPYMAVHISA-N	491.385	6.151	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cn(Cc2cccc(F)c2)c2ccccc12	409130778	UUWTZQGRNUYMBD-UCQKPKSFSA-N	455.514	5.229	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	409142335	KVLPCGQVMPRTOW-SYANTJLKSA-N	492.666	5.799	10	40	JKCB	
Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409400512	SFGJMLOMBNVTJB-HMAPJEAMSA-N	476.363	5.766	10	40	JKCB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc(N3CCC(C)CC3)cc2)nc1	1615059168	WPSPIRAGZRCRPB-UHFFFAOYSA-N	464.635	5.145	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4cccc(C)c4)c(Cl)c3)C2=O)cc1	1120098	DRASYBAVUHYZIT-DEDYPNTBSA-N	474.900	5.683	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)c2C)c1	1160996	DUMAQZFFYMDAIC-CIAFOILYSA-N	491.931	5.349	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl	1281945	LRUDFACYBFXJQR-JSKDENIMSA-N	498.409	5.255	10	40	JKCB	
CCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1OCC	3361767	YOWLDQPJUSODIW-UHFFFAOYSA-N	487.499	5.533	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)c(C)n1-c1cccc(C(F)(F)F)c1	3380480	RWICOERMSMNDBH-UHFFFAOYSA-N	486.475	6.397	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	8821474	DDJQNTIYYSLRLD-ZXMBATIKSA-N	480.405	5.410	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl	9232377	WDBZUIPJFYKWDJ-OEAKJJBVSA-N	482.026	6.642	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1Cl	9296533	BNNQTWGETIEOKH-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)c(Cl)c1	12412838	AUTMOVSNKSXAGT-UDWIEESQSA-N	467.352	6.387	10	40	JKCB	
CCOC(=O)COc1cc(Cl)c(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC	13915588	NUARPXJYODBFTR-GRSHGNNSSA-N	477.991	5.005	10	40	JKCB	
COc1cccc(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	13940094	RGMTXUJERMWUIQ-JLPGSUDCSA-N	477.607	5.554	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)c2C)c1	14008621	LXBLJGRKMQWFRZ-UCQKPKSFSA-N	495.000	6.161	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	33715886	YFAQUBVEBMOEIZ-JCYYIGJDSA-N	496.006	6.486	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@H]1CC[C@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@H]4CC[C@H]3[C@H]1[C@@H]42	37246229	WVSXJYGUVHEAPF-JKCIVSDUSA-N	465.593	5.781	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1cccc(C)c1	59135020	IGHARHFLCHBNDY-FYJGNVAPSA-N	460.461	5.228	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1	208730715	FXASXGHLKDNHNF-ZDLGFXPLSA-N	466.798	7.313	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Cl	223096949	AUIMYDNKIIUEEK-RPBOFIJWSA-N	465.066	6.448	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N(C)C)cc1	223539285	OHRBYQSJHLBMRC-RRPNLBNLSA-N	482.657	5.123	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223767835	PWQUKSAFVSPRRD-RPBOFIJWSA-N	469.614	5.378	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224530200	KPGCJORRXRJFGA-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1	225343195	OJYMLZPKJFTYKC-VMPREFPWSA-N	496.680	6.762	10	40	JKCB	
Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)c1	408647099	SALUYVRZDZVPFP-UHFFFAOYSA-N	461.743	5.306	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1C	408738028	LZADNIGUVXTGNQ-PXLXIMEGSA-N	486.398	8.342	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)S2)cc1	408786590	KYWBYGAOBXNVBX-OXWVMCNISA-N	474.674	6.102	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1	408816102	RAZCTKCNETZBPC-RGVLZGJSSA-N	497.334	5.247	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(Br)cc2)cc1	408845565	QKAJLGOAUAEXFP-HYARGMPZSA-N	493.357	5.309	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccccc1F	408970898	AHGSMINAUYJPNW-UYRXBGFRSA-N	470.422	5.762	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(C)cc1	408971586	JMEFTGIFWMDQBS-STZFKDTASA-N	466.459	5.931	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(F)c1	409330294	KPHIPKABYMLQRQ-ZDLGFXPLSA-N	460.895	6.053	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409341387	BINSZYISNRINPC-MFKUBSTISA-N	498.585	6.733	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl	1172628	QCBOGXWOFQEXFO-GXDHUFHOSA-N	488.308	5.833	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1Cc1ccccc1	1827410	FCLLQCGHVOXZLQ-OYKKKHCWSA-N	458.583	6.230	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9282684	KYPGTHLRKAFHMT-IJQXDZDCSA-N	473.646	6.417	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c2ccccc2n1	13141902	VVSKZEFPJFCCLC-UHFFFAOYSA-N	477.358	5.753	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	20287320	ACXBOBFOEPBVRQ-RRAHZORUSA-N	485.559	5.177	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12	32109362	ZSRMPUSHOZMKJA-AHMVSGTESA-N	466.444	5.633	10	40	JKCB	
CCc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O	35334985	HDYNRZKUIJIZAJ-ZHZULCJRSA-N	490.943	5.997	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	59418162	SRIKPXUIAFSXES-CIAFOILYSA-N	489.515	6.829	10	40	JKCB	
CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cc(Br)ccc3O)C2)cc1	65298118	HESGGYXXCZLMEH-HSZRJFAPSA-N	486.454	5.278	10	40	JKCB	biogenic
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)cc1	83260619	XFCVBAOWAGJKOX-XDHOZWIPSA-N	453.321	6.562	10	40	JKCB	
O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc(O)c(O)c3)c12	85876442	QTXMSEIRKBBPDL-UHFFFAOYSA-N	475.501	5.399	10	40	JKCB	biogenic
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208226941	UGUYLZSAQFGREV-YSUUHWHMSA-N	498.048	6.045	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1	222684041	VUANDUQVWPLZAB-UZPCJBMISA-N	457.574	5.227	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc21	223515615	DIGRHUPZSKNHOZ-OEAKJJBVSA-N	487.669	5.853	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)O)n[nH]1	408633186	WWZWQHAVBZAGRM-DEDYPNTBSA-N	470.982	5.342	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1OC	408762015	JJPHRQMARWFRAO-DEDYPNTBSA-N	463.331	5.301	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1C	408801586	WEKPFBBVUVZXAQ-HZHRSRAPSA-N	454.526	5.166	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408871471	YIEMDKSFWWKOGV-UHFFFAOYSA-N	476.532	6.210	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	408888534	WTNRZCJNDIHXKG-HZHRSRAPSA-N	454.526	5.166	10	40	JKCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1	408902431	NNDKOFMCZSLHOD-HYARGMPZSA-N	462.596	5.595	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409059749	NZUAVGSGPQVKRK-UQQQWYQISA-N	484.596	5.987	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409069910	YNDXNMPTPAZYBH-FBHDLOMBSA-N	458.320	5.633	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1C	409202631	SGYYPKUXCLAEJB-UDWIEESQSA-N	459.514	6.988	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)cc2)c1	409342404	DNGCCPBCJHJMRP-XKZIYDEJSA-N	478.570	5.557	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O	409343351	GXLXAUJYBYGLBJ-NSIKDUERSA-N	491.215	5.876	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	2258607	FCEYDOPIQVKNHG-HAVVHWLPSA-N	470.525	5.105	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1	9291198	NVDMWCPGJDKVBH-LSTNBMAPSA-N	492.601	5.208	10	40	JKCB	
COC(=O)Cc1c(C)c2cc(CNc3ccc(Oc4ccccc4)cc3)c(O)c(C)c2oc1=O	9423321	UHLPMKIWXWTDHX-UHFFFAOYSA-N	459.498	5.235	10	40	JKCB	
COc1ccc(Nc2cc3c(nnn3-c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1	12312035	HJPUDZHOEKGRQN-UHFFFAOYSA-N	460.493	5.257	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c(Br)c1	15012176	UAJPGBHBKSWFTG-YBFXNURJSA-N	490.831	7.077	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1Cl	16733115	PMWXIIPJEOTOTD-JCMHNJIXSA-N	498.073	6.593	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)N2CCc3ccccc3C2)cc1	16914182	KHAXQMLMJLVLIC-DEOSSOPVSA-N	451.973	5.075	10	40	JKCB	
CCCCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793020	UIIFGGHVIXSNQL-UHFFFAOYSA-N	469.887	6.585	10	40	JKCB	
CCOc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1	20210211	VWUQYLZUHHAATF-ZHZULCJRSA-N	480.318	5.145	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c3ccccc32)c1	27903619	KIZZKQMYHQHQLV-CQEFFZBYSA-N	489.604	5.974	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	33915774	QTOVJWOSOAHJEV-BOJMXSMESA-N	497.624	5.718	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21	58851370	KVISYWVIWPQPGJ-LIBAHTEVSA-N	459.598	7.244	10	40	JKCB	
CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)OCc4ccccc4Cl)cc3)o2)C(=O)O1	96193234	MUIHDEXCWVNZPK-UHFFFAOYSA-N	466.873	5.177	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223230518	YNZXOZURZRZHNQ-RSXGOPAZSA-N	461.679	5.030	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224538014	AIJFNSUWUQMQLL-LMSSTIIKSA-N	496.680	6.546	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(F)c1	224869209	JLKUYZOHKGTPAP-RPBOFIJWSA-N	493.007	6.164	10	40	JKCB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408576773	RCJPWDJTXZZHLY-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
COc1c(Br)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1[N+](=O)[O-]	408741903	MAOHKQIDKKWIGV-WUXMJOGZSA-N	481.096	5.110	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)c1	408787296	WSVWDGAJGVRCQG-FYJGNVAPSA-N	461.949	5.339	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	408851308	BEECLYRGZKHUIM-CRVYLDRDSA-N	466.581	5.767	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	408870028	UMPBJSAUQLEVMG-YDZHTSKRSA-N	479.363	5.867	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC1=S	409037688	YHQDOGRZBHQUHZ-GRSHGNNSSA-N	496.879	6.539	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCC	409334272	WMZVBPHDZBPUGH-QGOAFFKASA-N	484.481	6.171	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl	409345595	JMGOUFBGWZNTBJ-NDENLUEZSA-N	469.971	5.788	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1	2274240	XWUFDKNCXTUQCK-UGHLTKRUSA-N	495.673	7.119	10	40	JKCB	
Cc1ccc(C)c(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)c1	6142732	DXIXXRRFNFXDBC-UHFFFAOYSA-N	492.647	6.724	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nnc(CC(C)C)s3)C2=O)cc1	8819806	QUHXOKKRICRBQZ-JXAWBTAJSA-N	488.704	5.445	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21	14165825	KDWJQUPDZSPBSD-BIENJYKASA-N	482.159	5.889	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(O)=NC(=S)N1c1ccc(Cl)cc1	18066133	KQNVRYPVBKRLNG-WQRHYEAKSA-N	480.889	5.107	10	40	JKCB	
Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)c1	19597084	GYYSCXLCKXQPJA-UHFFFAOYSA-N	477.523	6.732	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5C)c4C)C(=O)N=C3S2)c1	34389354	LXZKEJGOHSBHIJ-VKPUNFQASA-N	453.571	5.378	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1Cl	58848264	NUZKKPZWIZYFSZ-OUDXUNEISA-N	495.000	6.004	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)c2C)c1	59198342	KHYCYZDYDXDXJJ-WSDLNYQXSA-N	492.373	5.980	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)cc3Cl)c2C1	59596865	JJQPCCSWIYXAJR-UHFFFAOYSA-N	463.202	7.369	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)c([N+](=O)[O-])c1	107661677	WFUBYOQYOSNQDK-UHFFFAOYSA-N	476.316	5.133	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222872599	QNCGSBFCZWCEPZ-FCHUYYIVSA-N	458.553	5.890	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	223389594	BGTGHYKOOCDXNN-KAYWLYCHSA-N	482.609	5.391	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	223726710	HHYRYWBZUIKNIH-AOYPEHQESA-N	476.646	5.032	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224601978	HWPBHEMMAHJFFZ-KAYWLYCHSA-N	468.626	5.934	10	40	JKCB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)C1	225691740	YPRFOUCBUSDWPG-JOCHJYFZSA-N	499.724	6.938	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(C)=C2C(=O)OCC)cc1OCC	408770245	VFEJWKXFUVMTIK-QNGOZBTKSA-N	469.965	5.795	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(F)c1	408775050	YAMPPVLWQOJKCO-OEAKJJBVSA-N	488.515	5.087	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C1=O	408804286	XBDZQHDALBUKQM-DEDYPNTBSA-N	464.880	5.033	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408873971	XXTCFMSAWSXQSY-FYJGNVAPSA-N	495.362	5.649	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1	408968158	UMSIKQKNPFUBHJ-XYGWBWBKSA-N	484.600	5.231	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl	409062885	CJGNHMBNHZJZLA-UHFFFAOYSA-N	495.966	6.331	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	409066507	NGPMPQYWACVQQQ-JVWAILMASA-N	497.982	6.424	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(Cl)cc1Cl	409216851	OYOJAESFIFSDDG-LNKIKWGQSA-N	480.181	6.614	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409247216	GVTXZXNVJVCBSU-UFFVCSGVSA-N	491.827	7.291	10	40	JKCB	
CCOC(=O)c1c(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)sc2c1CCCC2	409335363	WFQYFLGXBJWXIX-HSZRJFAPSA-N	458.583	6.259	10	40	JKCB	
CCN(CC)Cc1cc(/N=N/c2ccc(-c3ccc(N)c(OC)c3)cc2OC)c2ccccc2c1O	5389975	VCVGFQHHBLCJJT-QNEJGDQOSA-N	484.600	7.069	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8763333	MOMDPFNTIUDLCP-ZHZULCJRSA-N	476.019	5.765	10	40	JKCB	
CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1	8820188	JPWLLLNSZRRJHZ-QINSGFPZSA-N	481.068	5.154	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(F)cc1	8871689	PSOMWFCVIRTOGE-ATVHPVEESA-N	479.396	5.208	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	9111503	DHXZRFZTLGESMD-CYXNTTPDSA-N	467.952	5.671	10	40	JKCB	
CC(C)Cc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1	12377610	ATIPQICGCQSDEE-RVDMUPIBSA-N	481.068	5.010	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007097	OZBUWUCMKVRRFD-NXCFDTQHSA-N	479.551	5.874	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	20573313	IUWJUGVRSTYHEW-KELUXRKGSA-N	478.035	5.809	10	40	JKCB	
Oc1c([C@H](c2ccc(Cl)cc2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	21486982	RSNBPTMQOCZYCB-VWLOTQADSA-N	482.386	6.298	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1ccccc1	33378177	IOSCIGCGZULBKI-LPYMAVHISA-N	477.563	5.378	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5c(C)cccc5C)c4C)C(=O)N=C3S2)c1	33855936	GCJMQOXAHSGXKO-YLOHPIGASA-N	497.624	5.718	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	58848722	LHAGPYFLMMKHRH-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	59138834	UKFNKPIPEJNJPI-XDHOZWIPSA-N	468.340	5.410	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1OCc1ccc(F)cc1	96935802	FIRQDMCOMWQTDK-LPYMAVHISA-N	480.517	5.210	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21	223493573	BSLUZAYDQIYDQT-QRVIBDJDSA-N	467.034	6.987	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	224208030	ZOOOYWCAIPJUSA-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224529825	PXWRWYZTADTBIN-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(c4ccc(OC)cc4)CC3)o2)cc1	224921908	OTFFGGYILWUSIO-UHFFFAOYSA-N	483.568	5.378	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1	260569283	OVFRICOWKUZYMU-UEIZDATPSA-N	475.589	5.171	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3cc(Br)cc(Br)c3OC(C)=O)C(=O)O2)cc1	408744663	ZENVZTBFRKZTNM-VGOFMYFVSA-N	494.135	5.127	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1	408842522	OMFAUBPJICBEND-DEDYPNTBSA-N	498.174	5.752	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C	408855872	GFOITRPBXORYEZ-CIAFOILYSA-N	477.948	5.039	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1	408897184	HZHIXRUGMHOWGR-JCMHNJIXSA-N	490.943	5.374	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	409181197	YWSKLHFOUAVBMV-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409198649	COIBIBZLCJIQFB-YZSQISJMSA-N	481.577	6.671	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1Cl	409214166	RLWDOPVVKLOFJM-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)cc4F)c3C)C2=O)cc1	409246604	JKTFZLGJWNYTFP-SRZZPIQSSA-N	482.353	5.397	10	40	JKCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O	409339780	YGJHDCXHLNLQGE-WQRHYEAKSA-N	492.416	5.105	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409371396	ILQKABHMKJKYJD-MFOYZWKCSA-N	482.414	5.719	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)SC1=S	2048464835	JZFBPGPPIJBVMI-HMAPJEAMSA-N	461.564	5.678	10	40	JKCB	
COC(=O)c1c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CC[C@H](C)C2	938461	ORKDUELRXVEHDV-MGPLVRAMSA-N	498.548	5.120	10	40	JKCB	
COc1ccccc1Nc1ccccc1C(=O)N(Cc1ccccc1O)c1ccccc1Cl	3187874	VHFWDGWQFIJKGO-UHFFFAOYSA-N	458.945	6.645	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	9262195	QEVWWRHVOPHOHC-UYRXBGFRSA-N	474.329	6.573	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	9293443	AUWTWOIOYYONHB-HGEMSSTASA-N	498.052	6.346	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	9730595	GIUMNKZZKBSEJY-FZAWDKCWSA-N	484.423	5.666	10	40	JKCB	
CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S	10232842	BYUIIWXCTADTRG-SLVCOGOPSA-N	466.378	5.082	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	13809867	LQYNTJBGJJDQAX-PXLHENEQSA-N	481.577	6.139	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N(C)C3CCCCC3)nc3ccccn3c2=O)SC1=S	16699780	JARHVALDQGSGQH-JZJYNLBNSA-N	484.691	5.245	10	40	JKCB	
O=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(F)c1	20324590	LIFVOHVYSGRRSF-WQRHYEAKSA-N	461.992	6.770	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847634	PMOUMPOIOPVKBN-OSWQYVSFSA-N	485.436	6.929	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58848125	UVKSOXUYAUCOIG-CEYNDMKZSA-N	485.436	6.929	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	58848139	LVPWEMWEMNQEPB-VVZHRXSXSA-N	481.017	6.284	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)SC2=S)cc1	59418148	CBIJMKHMIYLRRD-OEAKJJBVSA-N	481.570	5.828	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1OCC	96193410	NAUPBZXTJXYQTR-NVNXTCNLSA-N	463.317	5.295	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208327399	JLLZSIRRAFUMKU-SUVVMJBMSA-N	469.050	6.997	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1Cl	222923793	YPNYUUCTJIWEIQ-GOTSBHOMSA-N	473.473	6.424	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223418995	KLJFGQGZIFSWJZ-KAYWLYCHSA-N	468.626	5.670	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223419602	SBHLUDRLJXTBAN-VSGBNLITSA-N	482.653	5.979	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)nc1	224470760	RTBYPJBAZVETTF-JWQCQUIFSA-N	474.033	6.023	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	260919796	NRJFYISLYALMEH-DQEYMECFSA-N	455.631	5.281	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1OC	408761811	BQQKFNWZRUNITD-KGENOOAVSA-N	477.358	5.609	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Br	408785405	ZCTOEYFQKVXLIN-LDADJPATSA-N	498.764	5.176	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Br)cc2)c1	408841793	LMNQZJDVUXQEAD-XQNSMLJCSA-N	460.375	5.658	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408875165	DNDYAIZTWUFNOF-UYRXBGFRSA-N	464.880	5.033	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([C@@H](C)CC)cc3)C2=O)cc1	408987073	VKSAWGWEHWDYRV-AYBPGSHHSA-N	458.001	7.724	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409014584	QGMYYXFBUXWBBZ-KEBDBYFISA-N	458.320	5.633	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c(C)c1	409247134	GLCYIQYFGHXFIF-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)SC1=S	409332069	PXFDZBBUUWUYDI-NHDPSOOVSA-N	495.497	6.640	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1	2388415	PTDAHUDJYSCURV-PGMHBOJBSA-N	488.012	5.124	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	8821484	WYBWLAYXWJKMCM-UDWIEESQSA-N	450.497	5.463	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12	8846691	JKLRNODSLITJHA-UDWXTBBOSA-N	471.439	5.010	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C	9192363	VCEQAJVCLFTXNC-ZYHLNSASSA-N	465.888	5.237	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9235311	BJVTXLDBBVZNGZ-BSMJIXEWSA-N	483.597	5.273	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3cc(Cl)ccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	9260795	MQMXFFZUXBYLTM-ZVHZXABRSA-N	496.438	6.791	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccc(C2CCCCC2)cc1	9436087	SMLCNCJWMHFSCV-SZXQPVLSSA-N	482.580	5.654	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)ccc1OC(=O)c1ccccc1Cl	13039036	KFJATVLKEWLNDT-HMAPJEAMSA-N	478.957	5.959	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	13069674	ODKCLLJHNBVSMY-JCQPUDPBSA-N	462.377	5.084	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16001510	DNKQFVMKEKZXKS-GSDHBNRESA-N	496.006	6.389	10	40	JKCB	
CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)O1	16605334	CZPZUNFATMZFEP-UHFFFAOYSA-N	454.262	5.407	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)SC1=S	16790658	QTEILAZCVMWDKK-ZHZULCJRSA-N	470.572	5.596	10	40	JKCB	
Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)ccc1Cl	26712551	ZLQWXXZHRMULMQ-OAHXEOETSA-N	482.993	5.381	10	40	JKCB	
O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12	28296992	NKLOYMCRJYLDDN-DJKKODMXSA-N	490.437	5.035	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O	28964015	NFLVSIWCPOWURY-AUWJEWJLSA-N	456.770	5.223	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl	32099359	ZIWXDVFMWHMRDT-PDGQHHTCSA-N	485.323	5.200	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	33534229	HRDKVLYLZLPTFL-UCQKPKSFSA-N	474.538	5.363	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	35039896	OVXPLIMMXLMIFJ-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1	58846602	UOGNDLAXOMKDJD-JPYHZWLXSA-N	458.627	6.548	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422974	HJZPXMMAFDOKIP-SOFYXZRVSA-N	483.442	5.148	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223418872	KLJFGQGZIFSWJZ-SVBPBHIXSA-N	468.626	5.670	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224305616	XQXRJYBNMVMWHD-WDYNHAJCSA-N	480.681	6.900	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224337037	XNKWSDBLWXKMLZ-SXOMAYOGSA-N	468.626	5.934	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	224569447	MBGUFCGNIBWXJU-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1	225015604	SFFCYIJWULSSTH-DNQXCXABSA-N	451.039	6.058	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	408757017	YZWYITJXLWPGJA-KGENOOAVSA-N	451.309	5.615	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)c1	408809343	GYQVVFMFBCKZDK-LDADJPATSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1	408964667	FCWPYGWDRNMCQS-ODLFYWEKSA-N	467.953	5.026	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c1C	408965076	GAGRLTMBAGLQBY-MYYYXRDXSA-N	487.625	5.948	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C(=O)N(c2ccccc2)C1=S	409021544	MSNIXCJOFDSRRV-XIEYBQDHSA-N	485.653	5.919	10	40	JKCB	
CCN1C(=O)[C@@H](Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S	409161195	KRSBZYKTUZAKTI-MRXNPFEDSA-N	460.835	6.017	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1	409169371	PUFMLRMEBQIRFQ-CIAFOILYSA-N	465.962	5.423	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)o1	409170173	UCOVBJIHISOCJE-JAIQZWGSSA-N	453.903	5.843	10	40	JKCB	
CC(C)n1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc21	409204006	BEMGTVQRFUWCDS-VXLYETTFSA-N	457.418	6.391	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c(C)c1	409242053	PYPQILMDVFXBQL-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	409327780	MUMMWGRRCKGSLE-LICLKQGHSA-N	467.490	5.053	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2	409334830	WKEDDROUUNPSQE-MYKKPKGFSA-N	488.565	5.963	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C	409338049	CAPGSBRMHMCAGB-MTJSOVHGSA-N	450.541	5.873	10	40	JKCB	
O=C1C(=Cc2cccc(Br)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	1508239	IWFZJTAJPSHAFZ-UHFFFAOYSA-N	463.356	5.197	10	40	JKCB	
CCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCN(c3ccc(OC)cc3)CC2)cc1	2693616	SVUIPXVKTZQFSS-UHFFFAOYSA-N	467.569	5.200	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	2696844	JNZIMBGDSPCJFC-CEZZIEKDSA-N	481.712	7.018	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3Sc3ccc(Cl)cc3)SC2=S)cc1	2923365	PDIXIJSRXRPZBI-STZFKDTASA-N	470.040	6.906	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c1	8821381	OZISSQVUVKWRAX-UCQKPKSFSA-N	466.027	6.942	10	40	JKCB	
O=C1/C(=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)SC(=S)N1c1ccc(Cl)cc1	8870048	BVTMRXQWNRDUOV-BUHFOSPRSA-N	483.448	5.635	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C2=O)cc1	8993766	DPPSELHAQHKYNR-LGUFXXKBSA-N	498.579	5.417	10	40	JKCB	
Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S	9090343	KDOWXFRCHPGFOS-LDADJPATSA-N	496.988	5.870	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cc(C)cc(C)c5)c4C)C(=O)N=C3S2)c1	9159032	YOUBTFVGNFMYAI-WNGCWRAYSA-N	467.598	5.687	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1Cl	9309000	VAAWVHYKCAPJTB-OILBOLJZSA-N	488.016	5.918	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1	13751710	YMCAIAPIANJDPU-KQWNVCNZSA-N	490.606	5.211	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)o2)cc1	13940924	UFGIJNGDPAMXRF-QGUUBAPPSA-N	458.568	5.715	10	40	JKCB	
CC1(C)OC(=O)C(=CNc2cc(C(F)(F)F)ccc2Oc2ccc3ccccc3c2)C(=O)O1	14007358	UOSSAOJKZYGXCM-UHFFFAOYSA-N	457.404	5.783	10	40	JKCB	
Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	15153190	XYKSOVCAKHBTKD-AWEZNQCLSA-N	471.896	5.333	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1	16678582	RSTYAEGORROCFU-UHFFFAOYSA-N	464.909	6.155	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc23)CC1	19789747	TZEJHKKVYCBFOE-UHFFFAOYSA-N	489.534	6.839	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1	33629855	LMRAGAXVYMWUKH-XNKHQWLISA-N	471.561	5.518	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc3ccccc23)c([N+](=O)[O-])c1	35177633	OCZUJBZOWOKLLU-XKZIYDEJSA-N	499.910	5.442	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35843156	RSPFGXULXYEQBE-ULNSLHSMSA-N	499.541	6.142	10	40	JKCB	
N=C1/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)C(=O)N=C2SC=C(c3ccccc3)N12	41074297	NFKNJVNGTKEXTC-WSFLPQJTSA-N	494.605	5.639	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58847004	CWKNJBDKNPMXFT-ANSQWYIGSA-N	480.561	5.470	10	40	JKCB	
CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2[C@H]2OC(=O)c3ccccc32)cc1	102648094	NNKZYLQPLALNKV-VMPREFPWSA-N	493.607	6.888	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2C(C)=CC1(C)C	208510456	KCUUNQIYWLYQLN-XKZIYDEJSA-N	463.559	5.853	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O	208517262	SCQKMYGYEWLHDE-PXLXIMEGSA-N	457.574	5.246	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223015814	QWHCIAZZTMOZNB-DHIUTWEWSA-N	455.027	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N(C)C)cc1	223348786	MENYJAUYBDVWCY-UIOOFZCWSA-N	471.630	5.321	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(O)cc1	223386041	FEBVPACYAWEFRC-CLJLJLNGSA-N	454.599	5.367	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc2ccccc12	223532866	BHDDAGXSYCHNHE-FQLXRVMXSA-N	489.648	6.210	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3Cl)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223614388	BGFSOINCAZNBJD-DNNAEVNTSA-N	483.077	7.386	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223859557	ZIEWTVKVYMNPOZ-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408572019	DVRCOPGBZJGCFP-JCMHNJIXSA-N	474.607	5.727	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408578576	YWPAFJGNXGPPDE-HMAPJEAMSA-N	492.597	5.866	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccc(Br)cc2)cc1	408756279	YMMBZJSHUCVWNP-HYARGMPZSA-N	493.357	5.309	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1C	408771068	CBOBWYPRIBMJJN-NLRVBDNBSA-N	475.548	5.736	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S1	408800872	RPXITFMLHUNWPQ-UHFFFAOYSA-N	457.406	6.472	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(Cc3ccccc3F)c(OC)c2)C1=O	408864956	BHDYHUXHFNMYRC-NDENLUEZSA-N	492.934	5.307	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Cc2ccccc2Br)C1=O	408880229	FJPKOPZTBZUCCR-PGMHBOJBSA-N	489.369	5.269	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1O[C@@H](C)CC	408905032	SDXRTBVNHHKFOU-UZUMKDMXSA-N	457.368	5.831	10	40	JKCB	
Cc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1	409078806	JLXVNPXPVSSBEW-MOSHPQCFSA-N	458.425	5.247	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)cc2Br)cc1	409104846	ITQQMDHCDFWNEI-WOJGMQOQSA-N	492.416	5.012	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)NCc1ccccc1	409130299	LDIYHDJPWGGPJE-IWIPYMOSSA-N	483.618	5.364	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)SC1=S	409146361	SMYRCDXWBJKRRN-KQWNVCNZSA-N	454.661	5.989	10	40	JKCB	
O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409328567	XSZADMSNFLZYJY-VGOFMYFVSA-N	478.742	6.527	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(F)F	409363956	VVLJFYZZMJFHAI-CXUHLZMHSA-N	475.460	6.111	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N=C2O)c1C	977370	AYAJAFOCFVIILT-HZHRSRAPSA-N	473.598	5.645	10	40	JKCB	
COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4ccc(N(C)C)cc4)nc3c2)cc1Cl	1414927	QCJBJOVUROTNAG-UHFFFAOYSA-N	456.329	6.129	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	3035094	MKQHMJDVHYFKKT-MOSHPQCFSA-N	452.513	5.659	10	40	JKCB	
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	13619083	CPYSTYJMMMCSAZ-WRYMDKBQSA-N	496.702	5.019	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	14010514	YGHXKBZXGLEAPT-UNOMPAQXSA-N	477.388	5.110	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1Cc1ccccc1Cl	16729663	KZQQZUPDSYTDIC-BKUYFWCQSA-N	494.066	6.656	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222833424	NYLKNTQWSJGPDV-FGZHOGPDSA-N	459.446	6.177	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1	224285618	FQNKPEGUBMTCQI-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1F	224367026	FGQUXZQHGNLBMI-VSGBNLITSA-N	484.644	6.929	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463221	GWZCUXQRMYFYKW-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224535981	JAFKYPWXAJPBGP-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)cc2)cc1	408764020	RCYGKWAGNZZHLL-KGENOOAVSA-N	462.303	5.500	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408866491	GBQQWWBDYBYBKG-FYJGNVAPSA-N	479.363	5.813	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	408932641	YOIFMOBFIOXIQA-XYGWBWBKSA-N	477.008	5.687	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)c1	408938980	SUKBRGYKDUJYOW-MYYYXRDXSA-N	487.625	6.201	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Br)c1OC	408970568	BOPLCPHTMKVCDJ-ZROIWOOFSA-N	469.257	5.205	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1	409014576	QFLLNCQLYCWTMP-XNTDXEJSSA-N	461.301	5.224	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	409037929	UUILGNJNZDHAMF-CXUHLZMHSA-N	489.400	5.294	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2	409327101	HXNDDLUODZBLEB-SSDVNMTOSA-N	465.527	5.539	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@H](C)CC)c(OCC)c3)SC2=S)cc1	409349091	UWFIHKUKLIEAPM-QFNCUCFLSA-N	457.617	6.067	10	40	JKCB	
CCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1c(OC(=O)COc2ccccc2)ccc2ccccc12	2063571	HCVHKZNVBXUKHQ-SSEXGKCCSA-N	482.580	5.506	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1Cc1ccccc1	8712105	ZAHPCETUGXIUQY-YZSQISJMSA-N	467.615	6.820	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)c(Cl)c1	8819610	ZDECATYDLBSAAP-NVMNQCDNSA-N	495.409	5.342	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)CC2)c([N+](=O)[O-])c1	8898554	VZYVSMVTHUWECP-UHFFFAOYSA-N	476.316	5.133	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	9307945	JFVHRCFIWXUFAY-DDSBZIKFSA-N	488.016	6.032	10	40	JKCB	
COc1ccc(NC(=O)c2ccc3c(c2Sc2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	12461904	GZTFJGGQXLJZKC-UHFFFAOYSA-N	479.557	6.183	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1Cl	16283245	UUBDFNJMRBNZEO-JAIQZWGSSA-N	485.970	6.021	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)c1	19793126	JYYVYILMXSBENG-HNNXBMFYSA-N	461.480	6.158	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	34888739	VEOROXWYQWZNJD-KQWNVCNZSA-N	471.509	5.373	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1	58848538	AODXHHSXFOKBJD-DFIYOIEZSA-N	476.554	5.021	10	40	JKCB	
CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)O2)cc1	59425786	KRUSWBMXPPNACV-DIBXZPPDSA-N	461.561	7.141	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223582591	RJVWRBKTKVNRSH-WQZUMXOESA-N	459.590	5.390	10	40	JKCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223649270	GYQOLFUOSGRDHT-RRPNLBNLSA-N	484.625	5.178	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224208913	ZRBPQWNPGWNIBU-IZZNHLLZSA-N	453.615	5.678	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1C	224270271	QHPPAIOKCZYFIT-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21	225336910	FEQONRREEPCFAS-VSGBNLITSA-N	498.696	6.678	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	408576753	QXRHPHOWFUIBRF-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(C)c4)ccc4ccccc34)C2=O)cc1	408799707	HTDCOJWFKDTVKL-YZSQISJMSA-N	492.531	5.402	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1	408804152	WLMSCLRRHZTYNB-RGVLZGJSSA-N	481.335	5.547	10	40	JKCB	
CCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC	408870890	XDYKFXGPWZNLSM-UHFFFAOYSA-N	476.916	5.331	10	40	JKCB	
CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408951019	KRSDDDVKZFLOCE-CVKSISIWSA-N	482.624	6.118	10	40	JKCB	
Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c2c1	408969977	YEOUONWKDKVSME-JCMHNJIXSA-N	459.471	6.800	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	409065166	DRCSDTQEJPXIMW-HAHDFKILSA-N	474.988	6.242	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	409129446	GDBLQPISKPQGIA-YPFLROGLSA-N	494.638	5.109	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1C(=O)O	409200832	JYTAVGJAGLFCER-MTJSOVHGSA-N	450.491	5.168	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O	409253389	UHKBNNGTZHJOMS-GHRIWEEISA-N	464.562	5.052	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S)c1ccc(Cl)cc1	409339828	ZEQDQPYVFZEXAD-FYJGNVAPSA-N	498.988	5.604	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409341790	CDZBYPCCNBZIJY-UYRXBGFRSA-N	465.512	5.197	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1	409365223	XQPGDFYZXYKVBN-XYGWBWBKSA-N	469.635	6.161	10	40	JKCB	
CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C=C/c1ccc(N(C)C)cc1	2279799	WACVXSQMBAAYBR-VGOFMYFVSA-N	499.430	6.072	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F	8424590	OEYDOOOFLZIBNH-HYARGMPZSA-N	457.592	5.947	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1	9057081	JMIWBHOYFBVRGZ-UGIGCIEISA-N	476.602	5.427	10	40	JKCB	
COc1ccc(OC)c(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)c1	9065167	NKIPXJWEFVEOOG-QOMWVZHYSA-N	499.636	5.081	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3c4ccccc4Oc4ccccc43)c2C)cc1	13147708	RZXMRGOHTDZIOK-UHFFFAOYSA-N	495.531	5.544	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1	16790832	LVNZFGRPJVAONZ-QJOMJCCJSA-N	479.667	6.737	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)c1	19793122	CQZJOZYZBXWRIV-UHFFFAOYSA-N	461.480	6.303	10	40	JKCB	
C/C(NCCSc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20287924	IMKSAHVJOXYNCV-QJOMJCCJSA-N	492.988	5.655	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2C(F)(F)F)N2CCN(c3ccccc3)CC2)cc1	22665227	BDAFMTQPEXJQPP-AREMUKBSSA-N	496.577	5.065	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	58865723	BDXMKVFRGMWUMZ-UHFFFAOYSA-N	489.571	6.955	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccccc1I	59417962	BQMFIVGNTQMGSO-AUWJEWJLSA-N	492.190	6.004	10	40	JKCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1	100321103	BPFIHYGULFIWRK-NBVRZTHBSA-N	458.867	7.205	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223101616	IDURHQMWYPJVCB-XNMGPUDCSA-N	458.675	6.411	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N(C)C)cc1	223463769	XAJMSYHEYKLJOB-SVBPBHIXSA-N	482.657	5.123	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1	224302959	FULLJVFVDJCJJX-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225031686	XOCSJPJSHKHCFS-RPBOFIJWSA-N	474.630	5.191	10	40	JKCB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1Cl	408646132	TUHAFCOJGBUYNU-HXUWFJFHSA-N	470.956	6.586	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408762636	LNTWKQJPAIEWMY-SFQUDFHCSA-N	485.384	5.025	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	408775521	HXCQYAYIAWCWNP-ZRDIBKRKSA-N	499.335	5.280	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(OC)cc3)C2=O)cc1	408841807	LPWHRLXOOXCBFY-PXLXIMEGSA-N	491.341	5.079	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)cc1C	408848859	WOKLSYPFFKXBCK-PCLIKHOPSA-N	463.537	5.281	10	40	JKCB	
CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)c1	408854673	BASFKMWWBOFEHV-LFIBNONCSA-N	485.348	5.287	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O	408881370	LAHRMIYYEUMIPA-MOSHPQCFSA-N	490.943	5.156	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	408893123	FSSFJMHWJJFDFN-WSDLNYQXSA-N	495.362	5.856	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1	408971325	ILZKOMOEDYNZDX-ZSOIEALJSA-N	496.228	6.510	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1	409024696	UPYDZGYTBPMXMJ-JJFYIABZSA-N	497.382	5.241	10	40	JKCB	
COc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)cc2)cc1	409104538	JOXJREBJPZGSHL-LPYMAVHISA-N	477.563	5.378	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)c3ccccc32)cc1	409134738	TVCVJSSYPKDCEI-QQXSKIMKSA-N	499.661	6.215	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1	409142045	PQPUGPPCAVKZKK-CPNJWEJPSA-N	460.024	5.041	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)N(C)c4ccccc43)c3ccccc32)c1	409205393	CBNIXCRIJFLUEE-NLRVBDNBSA-N	450.582	6.669	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)SC2=S)cc1Cl	409209629	GYEBOADAKOHPJD-ODLFYWEKSA-N	471.943	5.713	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409210677	GDIGPXXJBKRRKV-XKZIYDEJSA-N	484.599	5.716	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	409222348	WTBVTKCKIVUUDH-AUQXIXNCSA-N	462.933	5.645	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1	409228272	WPNTTWCXOHCQPK-MFKUBSTISA-N	480.524	5.308	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	409328631	ZDPFVVBDHOQFGV-YBFXNURJSA-N	499.957	5.363	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(OC)c3)SC2=S)cc1Cl	409330896	MKJDJAFLVUQKMT-JMIUGGIZSA-N	464.008	5.798	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1C	409374189	YKRFUNQDJRBZMZ-LZYBPNLTSA-N	468.387	5.248	10	40	JKCB	
CN(C)c1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	2532796	HNURNCVYLLIXNW-UHFFFAOYSA-N	480.351	5.643	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1	2931743	YTNZBGCWAAZINC-YBFXNURJSA-N	456.932	6.222	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1Cl	4489303	ZEPRFBZQAVLMRI-AXXGLQBDSA-N	474.369	5.748	10	40	JKCB	
Cc1nc(N)sc1/N=N/c1c(Br)cc(Br)cc1Br	8454005	VYTPYYLQCUGQHF-WUKNDPDISA-N	454.973	5.737	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	8495687	UJJLKYKQFFPUQJ-FORMPUQESA-N	496.976	5.233	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc(C(C)(C)C)c1O	9188782	FOUJFPKRPGYHTP-PGMHBOJBSA-N	469.672	6.267	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4cc(Cl)ccc4Cl)C3=O)n2)cc1	12275667	PHZQEYIVEXRNDS-GEJZQBIKSA-N	460.346	6.001	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c1	13618934	WQKJQNCWHLBSJM-UCQKPKSFSA-N	487.606	5.851	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1	13809791	UVSDXNAKNLOZCN-QCIUGURRSA-N	456.483	5.467	10	40	JKCB	
N=C1/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=NN12	33457401	JPSAAWWVQGQVKW-VFHVDCSJSA-N	463.950	5.013	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1	35212408	ZTRADBMYLGOQOB-KOEQRZSOSA-N	497.645	6.339	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/SC(N4CCN(c5ccccc5)CC4)=NC3=O)c2)cc1	35623380	OJTKHTQGCXXLJQ-LGUFXXKBSA-N	469.610	5.367	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccc(OCCOc4ccccc4Cl)c3)C2=O)cc1	41108855	SZXIWQYZLNWDLH-PGMHBOJBSA-N	492.915	5.313	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2	58845696	KDYINWBBLVFQIX-OSWQYVSFSA-N	485.436	6.929	10	40	JKCB	
Cc1cccc(COc2c(Cl)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2Cl)c1	59135168	HGBFGSHPVFGACW-VXLYETTFSA-N	499.325	6.527	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1	59418156	UKABIZOIPNWFKN-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCSc3ccc(Cl)cc3)C2=O)cc1	112296592	IVCJVAOUALBWQL-MOHJPFBDSA-N	478.017	5.755	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223389387	FUSXERIEBHAADC-IZLXSDGUSA-N	466.654	6.279	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223422784	KBZQLVHLRKYADH-IZLXSDGUSA-N	498.652	5.679	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224012474	JAGCEEGVADDNDX-VSGBNLITSA-N	496.636	5.957	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224837384	XVLOTEWUKONBJS-WUFINQPMSA-N	498.652	5.992	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4c(C)cccc4C)cc3)SC2=S)cc1	408574958	GZRIAPHJKFUBAI-HAHDFKILSA-N	488.634	6.035	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)SC2=S)cc1	408576763	RAFLZSHUCUZQKK-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4F)o3)SC2=S)cc1Cl	408598752	ASORKHYKNFDNFB-GRSHGNNSSA-N	463.914	6.293	10	40	JKCB	
O=C(O)/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	408631966	BTZLQRJLJBMLGV-CPNJWEJPSA-N	485.953	5.241	10	40	JKCB	
COc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br	408742099	MYTIBTUQSFLZBP-WUXMJOGZSA-N	470.544	5.855	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1	408754688	LFMPAHFQPHGBFI-LFVJCYFKSA-N	487.784	7.090	10	40	JKCB	
Cc1ccc2cc(C3=C/C(=C/c4ccc(-c5ccc(Br)cc5)o4)C(=O)O3)ccc2c1	408756648	RVSLSLRFTWNTHN-STZFKDTASA-N	457.323	7.152	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3C)C2=O)cc1OC	408763511	PHBGGHKZJZZOQN-CPNJWEJPSA-N	466.364	6.790	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1	408889263	BXAADILCXCSDAU-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc([N+](=O)[O-])c1	408900975	AZHSCGNFBULEKE-HZHRSRAPSA-N	457.486	5.379	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C)cc1	408944367	UMYHCYFHZGOXMT-LPYMAVHISA-N	474.944	5.678	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408964178	BMNZTULQEDFUAI-IWIPYMOSSA-N	472.545	5.393	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C)c4)C3=O)o2)cc1	408985457	MEOLMGFBMVNCJM-HKOYGPOVSA-N	461.517	6.513	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	408998448	QLLGMYGUZRRBQX-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409008898	ABBMGFYIFUUFTJ-QRVIBDJDSA-N	464.924	5.764	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	409042297	KDSMPKTZRGQIAT-RIYZIHGNSA-N	477.345	5.665	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCC(C)C)C1=O	409058787	TUGPQDIDCFDRFS-OVCLIPMQSA-N	481.763	5.656	10	40	JKCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1CNc1ccccc1Cl	2165605	GBBHPPCVTHRAER-DHDCSXOGSA-N	486.787	5.215	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1	9232545	VVBVGUGODPNDGP-HZHRSRAPSA-N	481.042	6.391	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	9273902	HDLPDBILJSARAS-UOSKESRZSA-N	474.417	6.066	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	9360161	IRMWWONYJGHRQL-MCVCKHRISA-N	496.702	5.019	10	40	JKCB	
CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c1C	13017537	DNLUMZOWEPZZCO-UHFFFAOYSA-N	484.552	5.339	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccc(C)cn3c2=O)SC1=S	13777312	QHNWSIGFNRGLDZ-SILNSSARSA-N	486.707	5.411	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	14009610	ASGJYPVNCZRSQD-ITYLOYPMSA-N	458.602	5.966	10	40	JKCB	
Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)N(Cc4ccccc4)C(=O)N=C3O)c3ccccc32)c1	15931704	PECBKMUEFYXVMC-KOEQRZSOSA-N	493.563	5.839	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	33730690	HLEZSDMAPKDIDK-UDYIERFUSA-N	484.368	5.661	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(Nc4cc(C(=O)O)cc(C(=O)O)c4)=NC3=O)c2)cc1	39869918	FWWVAJMAEVYCFP-YVNNLAQVSA-N	488.521	5.053	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC(=S)N1c1ccccc1F	59135756	WBAVPFOWDOPNPF-RAXLEYEMSA-N	461.301	6.064	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N(c2ccccc2)C1=O	59138924	QRBBMCWPTPZOCU-OQLLNIDSSA-N	486.267	5.170	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S	96346739	MAJUSKJKSLMFGG-PYCFMQQDSA-N	471.644	6.743	10	40	JKCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1	113467096	ZMWMBGQFWOZRAG-UQQQWYQISA-N	486.484	5.039	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2[C@H](C)CC1(C)C	208321289	DFIDBOKRKCLMRT-QHSFOXILSA-N	491.657	6.091	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(I)cc2)o1	208838294	HQHOZDHVTPYPER-CPNJWEJPSA-N	454.267	5.357	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103842	WUCOGSQUXUKOMC-IZZNHLLZSA-N	488.657	5.801	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	224337405	WRFYHFDXOXYMPF-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	260919562	MGWBRYRUNROOQL-DQEYMECFSA-N	458.606	6.030	10	40	JKCB	
CCCCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC	408541175	YEWSPPWDJHUKCI-ZHZULCJRSA-N	471.395	6.223	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408571239	ANVLUIQYBLPMAV-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
O=C1/C(=C\c2cc(/N=N/c3ccc(Cl)cc3Cl)ccc2O)SC(=S)N1c1ccccc1	408727884	YPLPTCZVKGIEFT-AXSMUARKSA-N	486.405	7.520	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)c(OC(C)=O)c1	408743716	UNTGQOXQTAPLBB-LDADJPATSA-N	456.336	5.202	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	408811764	KSOAVKATHGICPB-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)S1	408817533	UDWKBWNOMRKTGY-UHFFFAOYSA-N	479.069	7.116	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)C(=O)NC2=S)cc1	408993003	ULLJZXVVGJHHPI-XMHGGMMESA-N	471.563	5.119	10	40	JKCB	
CC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)cc1	409040004	SBPWNWCLXMYDHF-VCHYOVAHSA-N	487.428	5.798	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccc(F)cc1	409040940	ITCWLUKCEXCTTN-GRSHGNNSSA-N	465.999	5.924	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409058039	RWVWPIIKTNPIJU-HAHDFKILSA-N	474.988	6.242	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)c(C)c1	409208909	DEAUIDIHQBGVIZ-UDWIEESQSA-N	463.540	5.805	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1O	409343615	FCXPGYPWCLIRAK-DHDCSXOGSA-N	454.342	5.098	10	40	JKCB	
O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(Cl)cc1Cl	409351984	VHVHQJCSJHVNPE-FZSIALSZSA-N	484.227	6.643	10	40	JKCB	
O=C1NC(=S)SC1=Cc1cc(Br)ccc1OCc1ccccc1Br	1988179721	HXNBAOLVPAWYLT-UHFFFAOYSA-N	485.222	5.279	10	40	JKCB	
CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc23)C1	6151129	VEFJOPJDVUJAHM-ACSYHNTCSA-N	454.570	6.114	10	40	JKCB	
COc1ccc(OC)c(S(=O)(=O)Nc2cc(SCc3ccco3)c(O)c3ccccc23)c1	8870839	USUADWIGNRSHHB-UHFFFAOYSA-N	471.556	5.249	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1Cc1ccccc1	12363171	PHPIHQWQZVTFFL-HAVVHWLPSA-N	482.377	7.176	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2	13141789	YGIVRHYWUXTJET-UHFFFAOYSA-N	469.493	5.655	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	14010598	KARCMYQLBSCEPR-UCQKPKSFSA-N	452.982	5.753	10	40	JKCB	
CCOc1ccc(NC2=NN=C(c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)CS2)cc1	15978480	OOAKFOUUOXQPFI-UHFFFAOYSA-N	462.575	5.198	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C	27549667	XYFUQMGOKBBPMP-XGCFFSCVSA-N	492.601	5.045	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	32109376	DUSVXVNFEKWOLG-LEXTUMAWSA-N	498.992	5.144	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)c1	33889382	JDZMERHALXLZRQ-MMTNMYCKSA-N	458.587	5.250	10	40	JKCB	
CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3ccccc3C)c3ccc(Br)cc23)C1=O	59087293	WLKBKUBAWGBPDY-XDHOZWIPSA-N	496.361	5.113	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)NC2=S)cc1Cl	98086264	ATFZSYRASXQYQR-KEBDBYFISA-N	498.435	5.849	10	40	JKCB	
CC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1	101391561	CBZFPLCIAPQBQA-HYARGMPZSA-N	490.943	6.174	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2)cc1	108110531	IXAQNUINFWBGRR-STZFKDTASA-N	484.986	5.499	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)CC	108981456	HCBNYNONXZJPJX-RERGGYADSA-N	493.785	5.140	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Br)c3C)N21	222698012	UQHKGMCHTBGOIH-MQNAVGNWSA-N	481.463	6.231	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223894186	NRQHNHQMPBWQOA-VSGBNLITSA-N	481.669	6.041	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224269364	KKZINBHYAVWVDS-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	224571025	XGLWDGFMEXFOJW-XTEPFMGCSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F	225504332	DRKBPYUQQHNKBU-SXOMAYOGSA-N	499.615	5.239	10	40	JKCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1	408574343	LXZDWHDWVZEWDM-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1	408737937	KTKWRPFFCLRJGN-HMMYKYKNSA-N	472.371	8.033	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C(=O)O2)cc1	408741980	MFNPUGDGVJHDOL-SFQUDFHCSA-N	460.398	5.285	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(Br)cc2)cc1	408764497	IZUQDNVDAYVCRF-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	408777029	USXJECBVAOWAFH-QQXSKIMKSA-N	484.596	5.592	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1	408803769	AGOXWXGMUFKORZ-OVVQPSECSA-N	492.531	5.484	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408816774	ZESRMBVXSHXZGN-SFQUDFHCSA-N	455.297	5.212	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1	408842210	IXRRAMDUMGLEAJ-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1ccccc1F	408881843	NYNNAHVKVYUDSK-CIAFOILYSA-N	492.934	5.443	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1C	408883306	UWIJGYLFSZVYPP-LPYMAVHISA-N	478.907	5.341	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Br)ccc1OC(C)C	409050203	SMSRHRITJNXGLV-GHXNOFRVSA-N	489.238	5.738	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(C(C)(C)C)c1O	409228513	BAKURFIEAWZBMT-RVDMUPIBSA-N	471.022	5.472	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)Nc1ccccc1	409349456	PKFNHOPQRBJYTO-JCMHNJIXSA-N	460.580	5.106	10	40	JKCB	
CC(C)CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	585152490	PTKMKBIHEASCAE-STZFKDTASA-N	482.458	6.496	10	40	JKCB	
CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2	2094868	HUXGUMWZYNQTEO-XMMPIXPASA-N	463.607	5.331	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)cc1	8495872	DTIVLMPHJZYNGH-WNUQXASFSA-N	499.567	5.896	10	40	JKCB	
COc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1	8871687	UCAZNPQBRRJXEQ-PDGQHHTCSA-N	491.432	5.078	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c3ccccc32)cc1	8885096	MMPYSTPJBVRJPP-BWAHOGKJSA-N	485.584	5.213	10	40	JKCB	
COc1cccc(OCCOc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c1	8983811	QERIBPBAGAXVGP-JLPGSUDCSA-N	462.933	5.613	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	9293473	SAQYLXDGRVTGOA-RDJYZGLESA-N	468.026	6.337	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)C(c1ccccc1)c1ccccc1	9404773	BWNMFWJKYJVYTM-HKOYGPOVSA-N	480.614	5.904	10	40	JKCB	
CCCCC1(CC(=O)Nc2ccc(F)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	9761261	JJJRPJSHRVVEMK-UHFFFAOYSA-N	459.521	5.326	10	40	JKCB	
Cc1cc(C(=O)COc2ccc(Br)cc2Cl)c(C)n1-c1ccc2c(c1)OCO2	13141960	MXRINZCQBHZRQH-UHFFFAOYSA-N	462.727	5.500	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)c(C)c1	13785906	VXHWAYMMTBKXOX-ZEAYLUBASA-N	495.604	6.066	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	13803652	VDRARAUMQFRQAU-VCOIRPETSA-N	466.610	6.522	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	13940492	XSXRBEYELVRXFW-PEYOBPGZSA-N	497.020	5.983	10	40	JKCB	
COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1	16000871	UZCBOFZEMOLVPC-JIMJEQGWSA-N	483.951	5.371	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	18190733	VEGJQRZJMSUPTF-IMRQLAEWSA-N	481.596	5.804	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cc([N+](=O)[O-])ccc2C)cc1	20289157	HXBRMKKLVGCFLB-ULJHMMPZSA-N	472.501	5.057	10	40	JKCB	
CCN(CC)c1ccc(/C=C\C2=NN(c3ccccc3)[C@H](c3ccc(N(CC)CC)cc3)C2)cc1	25782332	BZKRKPGZABEOSM-MBOHSSIFSA-N	466.673	7.400	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	33458291	NEPNCBFNCKYTHV-UBZYXAKASA-N	491.016	6.436	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(Cl)c4)C(=S)N=C3O)o2)cc1	59137959	KCLRSVDYZJIQOC-LFIBNONCSA-N	489.405	6.718	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	223054492	IMTGMKBZCARLNM-XZOQPEGZSA-N	499.478	5.261	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223057377	JUKSJWJBFQVJND-PKTZIBPZSA-N	489.472	5.805	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224206503	LDDHVNGZQIUSHM-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224266541	SPMHPIAXQBVRNQ-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224436395	CMYLKXMXCFAWRK-XNMGPUDCSA-N	470.617	6.422	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020673	KUIBZQIAJYCNCR-AHKZPQOWSA-N	458.675	6.275	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	260916579	JPXCINXCNWAWPU-FTJBHMTQSA-N	489.088	6.539	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2Cl)cc1	408578833	ZNWADUIXTFCKJQ-NDENLUEZSA-N	475.035	5.530	10	40	JKCB	
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1	408650181	ZSJRBPNBRQXBCC-FQEVSTJZSA-N	452.510	5.632	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC	408900946	AKUCCSZZCTZUEY-WOJGMQOQSA-N	464.406	5.652	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)OC)c(Cl)c3)C2=O)cc1	408986611	RJLMIDYSBGYILJ-XMHGGMMESA-N	494.374	6.650	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O	409022180	HVPJBFJMZHDAAD-SFQUDFHCSA-N	454.960	5.528	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1F	409143062	UGBKKIHNDYQITI-JOCHJYFZSA-N	471.575	5.368	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1CCc1ccccc1	2286222	AASGHURDYHCZOX-ULJHMMPZSA-N	485.609	6.122	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1	2332645	PKNAFMZYSLUGPX-UCQKPKSFSA-N	469.928	5.318	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccc(OC)cc32)S1	2334140	PIIHOHFWDSKACJ-NKFKGCMQSA-N	469.653	6.350	10	40	JKCB	
COc1ccc(NC(=O)c2c(NCc3ccc(OC)c(OC)c3OC)sc3c2CC[C@H](C)C3)cc1	2909554	PAONCCBBNLJPDT-INIZCTEOSA-N	496.629	5.772	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	3035085	GOIOWEGGIYGEPQ-MOSHPQCFSA-N	486.412	6.514	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(CC)c4)c(OC)c3)C(=O)N=C2S1	8817254	WNMMPQAABJZSOX-AKZCVUIYSA-N	492.601	5.053	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccc(O)cc1	8872182	RYCREDYIYIDUHG-CAPFRKAQSA-N	484.349	6.886	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9016000	XHKPDCUZMCTPBC-UODIDJSMSA-N	496.006	6.389	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1c1ccccc1Cl	9016105	PTDAHUDJYSCURV-LTGZKZEYSA-N	488.012	5.964	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCOc1ccccc1C	9425701	VYCSJDRNZFRFFU-JLPGSUDCSA-N	495.597	6.006	10	40	JKCB	
COc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c2)cc1	9762430	OGGKLHXTJHGJSS-BWAHOGKJSA-N	491.634	6.257	10	40	JKCB	
Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c(C)c1	13025259	YFWDXHHDVQZQIE-AREMUKBSSA-N	459.590	5.409	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	15307012	IQJHAIBQNCLXKL-ZXVVBBHZSA-N	483.637	5.362	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc1	16678560	ATQSKUQRMMYCLS-UHFFFAOYSA-N	457.574	6.482	10	40	JKCB	
CCCCN1CCc2cc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N=C3O)ccc21	17248076	BJYCFSKGIMFKAZ-CPNJWEJPSA-N	473.520	5.540	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1C	33430093	GTPYFDOUWQOCHQ-JWGURIENSA-N	457.617	5.463	10	40	JKCB	
O=c1c(-c2ccc(Cl)cc2)coc2c(CN(Cc3ccccc3)Cc3ccccc3)c(O)ccc12	54219550	CJKUWAOOOBJDDN-UHFFFAOYSA-N	481.979	7.021	10	40	JKCB	biogenic
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223758864	WZLHOLLTKVZVIW-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1	408759763	LCVFVCVHWFSELA-KGENOOAVSA-N	479.305	5.209	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3cccc(F)c3)ccc3ccccc23)C1=O	408888587	XNOHWMXCGUGPQO-LFVJCYFKSA-N	480.495	5.533	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	408936668	HDKCXVUZZAALJX-FYJGNVAPSA-N	481.777	6.488	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1C	408937185	NAGZURNKPGPAHC-PKAZHMFMSA-N	476.532	5.702	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc1Br	408985359	LOCQNKJZHHDKBM-PXLXIMEGSA-N	474.398	6.936	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c1	409017429	WOYWHQRZPNQPNE-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1C(C)C	409241262	SOWGECKRWTVLOP-HYARGMPZSA-N	450.604	5.472	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1O[C@H](C)CC	409350709	YLZRUCPFRUDOLM-STCDJXRXSA-N	478.035	6.330	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	1314862	QRDNCYKXXSPFRR-OEAKJJBVSA-N	461.562	6.028	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c(C)n1-c1cccc(F)c1	1895894	ZBAPLCYENQKTGL-UHFFFAOYSA-N	473.598	6.880	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12	2397925	BAIWWSNNXMOVPH-ZHZULCJRSA-N	486.325	5.264	10	40	JKCB	
O=C1/C(=C/c2ccccc2OC(F)F)SC(=S)N1CCCC(=O)N1CCCc2ccccc21	3178142	KYNLZJFORJDMMZ-HKWRFOASSA-N	488.581	5.249	10	40	JKCB	
CCOc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	3771306	ZNRNDELBHGHRRD-UHFFFAOYSA-N	483.567	7.294	10	40	JKCB	
CN(C)c1ccc(/C=C/c2ccc3cc4ccc(/C=C/c5ccc(N(C)C)cc5)nc4cc3n2)cc1	3845546	MBUABCFIUIYELL-ACFHMISVSA-N	470.620	7.256	10	40	JKCB	
O=C1/C(=C/NCc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	8694307	HXLVWTMGEKEEGO-PKNBQFBNSA-N	471.291	5.542	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1	8820137	PJPZJTAWOOMHAT-RGEXLXHISA-N	461.008	5.446	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821367	FELBORBOCZKGCP-UUYOSTAYSA-N	496.009	6.331	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1	8821735	YBZDNDKHDXXDBT-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	9188557	IOPFDWLKSIJUMI-IDUWFGFVSA-N	456.372	5.425	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc(C(F)(F)F)c1	9310467	WXLLFDHJQWRTRD-LHHJGKSTSA-N	479.288	6.326	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)n1-c1ccc2c(c1)OCO2	13148476	VVJUSTONKHYBGN-UHFFFAOYSA-N	470.525	5.270	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1ccc(F)cc1	13804186	LJYHQKYASURIOX-BDPOZWGGSA-N	489.601	5.743	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1Cl	33911794	VLBGGLLKJXOCOA-ILUGDOHVSA-N	496.036	5.956	10	40	JKCB	
Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Br)cc2)N1	53363270	LNGMKWBKWIUQDO-XXBNENTESA-N	485.765	5.759	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58848118	PXTOEUJIDXFMQK-CEYNDMKZSA-N	468.981	6.415	10	40	JKCB	
COc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1	100525193	YNSXSLOOOBADLJ-FTGFMQHASA-N	470.352	5.456	10	40	JKCB	
C[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1	223828252	DFJYGOGRJAYNRA-BZSPEZQHSA-N	459.615	5.387	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224205347	VGANSRSMEKDATJ-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224206168	JGWJMPXDFROVKD-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl	224951566	DEKOXKCIGFXGSA-DQEYMECFSA-N	490.032	5.723	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019902	HPRFSJUCRVOFRP-JWQCQUIFSA-N	465.066	6.366	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)NCc4ccccc4)c3)SC2=S)cc1	408574804	DIMUSRHWINNNJK-HAHDFKILSA-N	474.607	5.096	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(Br)cc2)c1	408764683	MXZGJUFLIYHPOY-KGENOOAVSA-N	461.315	5.290	10	40	JKCB	
CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	408807857	IBEDEANEAIKLKL-XQNSMLJCSA-N	490.943	5.374	10	40	JKCB	
Cc1ccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1	408873379	QCIILHBBJWPHSG-UHFFFAOYSA-N	488.543	6.157	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(OCC)cc3)C(C)=C2C(=O)OC)cc1OCC	408894409	QJYWLJYGWJAMTB-JWGURIENSA-N	465.546	5.150	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	408984346	HBIKWJOYPDLDMT-DEDYPNTBSA-N	494.816	7.281	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)C2=O)cc1	409059726	XHPIRFRLKSFTSH-RQZCQDPDSA-N	477.344	5.093	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)ccc1Cl	409202534	UEKLJDKAMOSZBZ-YBFXNURJSA-N	472.975	5.342	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)cc1	409339127	SALHUPAKLPBEFC-LFVJCYFKSA-N	491.634	6.926	10	40	JKCB	
O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	1262112	ACHNVKJNKHCMNW-QPEQYQDCSA-N	462.927	5.260	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	2096899	JVVADJZDSMGGOB-FZCRRMIMSA-N	476.617	5.170	10	40	JKCB	biogenic,in-vitro
CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2383261	QAHXQEOLADCIJB-HVIPQOSHSA-N	451.551	5.958	10	40	JKCB	
COc1ccc(OC)c(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCCC3)c1	3066022	DMKSMJOSEQGOHS-UHFFFAOYSA-N	482.602	5.526	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	8742621	LTDGRJYSCILIQL-BERHBOFZSA-N	498.535	6.207	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	8820609	ODEIYBMNHYOFQF-NSESQLPSSA-N	464.656	5.663	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1	8836012	PVCAGSCCALGWOC-AKZCVUIYSA-N	492.601	5.189	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1	8919696	FYBLDXNUJIOTPI-XTZNXHDOSA-N	483.859	6.840	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC(=S)N1c1ccccc1	9434956	QJRUXNHQGJVBDL-JWGURIENSA-N	484.067	6.917	10	40	JKCB	
CCOCCCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2ccccc2c1=O	13141817	YPFOLQNERJDOPH-UHFFFAOYSA-N	475.614	5.206	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(C)cc1	14132856	QUUNODOPZVVQKF-UDWIEESQSA-N	490.943	5.211	10	40	JKCB	
CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1	15015441	NPGQOFQGSKDQLW-IUXPMGMMSA-N	486.163	5.877	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C(=O)N=C2O)cc1	17057060	ORHKKGCWIBBNSZ-RZKQZQCBSA-N	496.394	6.228	10	40	JKCB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)c1	19793073	WIRICJGDVHQDQE-CQSZACIVSA-N	461.480	6.158	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc2ncccc2c1	27519473	ASIFBWAYAFWCEO-RCCKNPSSSA-N	453.339	6.469	10	40	JKCB	
COc1ccc(N2CCN(c3cc(-c4nc(-c5ccc(C)cc5)no4)c4ccccc4n3)CC2)cc1	33140355	BAVAQKDBVFBVKV-UHFFFAOYSA-N	477.568	5.595	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	58845596	YYGVIABIHVWPFH-YZUZCNPQSA-N	481.415	6.076	10	40	JKCB	
O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847282	FNBGWZRQSYZUAN-XLNZFTOWSA-N	480.973	5.666	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927396	PRKHVPZPLZZVBV-BJKOFHAPSA-N	479.606	5.034	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	222988844	MFKYJCSVNCMABS-RPWUZVMVSA-N	462.619	5.048	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(F)c1	223383902	PIDUDOFEDNDTSV-IZZNHLLZSA-N	456.590	5.801	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)nc1	224875446	RTERPSJKPRWJQY-JWQCQUIFSA-N	490.032	5.729	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1F	224904750	GCDOATFWECGTAW-LOSJGSFVSA-N	471.605	5.817	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	225822771	ZXWFSERCKDOEIS-HOSHDJOUSA-N	471.601	5.473	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408584744	ULPULIXMAMNTQS-KQWNVCNZSA-N	470.481	5.051	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	408724455	AGKARJDUYPIVIO-ODLFYWEKSA-N	497.334	5.247	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)C(=O)NC2=S)c1	408743032	YRWAXKCRGYZUHH-JLPGSUDCSA-N	452.535	5.223	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)S1	408800041	NCXNKALIYLVJCU-UHFFFAOYSA-N	467.014	6.136	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408942882	RCAPKZSTSZMQCM-FYJGNVAPSA-N	493.332	5.609	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(O)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1	409093137	YBTVZGJOJXBOIA-BOPFTXTBSA-N	498.174	5.752	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S	409099639	SMZLXRRLGCKDIT-XNTDXEJSSA-N	491.783	6.047	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O	409205424	QHXLSABEFQNFHF-GZTJUZNOSA-N	451.411	5.194	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1F	409327376	JHLYPLAFBCYOIQ-YDZHTSKRSA-N	497.638	6.541	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409329996	IRZCFFWMDGMDMH-MTJSOVHGSA-N	474.434	7.340	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccccc1	409338101	DATPNRKOPHDRBH-KGENOOAVSA-N	496.635	5.272	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)C2=O)cc1	1161713	FVFURKJOHOFILN-FYJGNVAPSA-N	488.500	5.080	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3F)o2)SC1=S	1411633	CHCBBBOUUCTJPU-ZDLGFXPLSA-N	477.380	5.804	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	8821516	WOMPGAPWBKWXLZ-YBFXNURJSA-N	466.496	5.267	10	40	JKCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2Cl)cc1	12629397	XYINAAXBHPPGPR-NDENLUEZSA-N	469.971	5.862	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	13133676	PJRZMLDKCRJEPV-KRWDZBQOSA-N	493.535	5.417	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N1c1ccc(Br)cc1	20324525	UIDVFMPZIQDKEX-PDGQHHTCSA-N	483.343	5.841	10	40	JKCB	
CCCCCN1/C(=C/C=C/C2=[N+](CCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	25763118	JSVWLHSNFYARGF-UHFFFAOYSA-N	469.737	8.681	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	33916868	LMAJVANIMFMBAZ-ULJHMMPZSA-N	483.593	5.320	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)SC1=S	35199209	PVMHAUSUXASBHN-BKUYFWCQSA-N	450.541	5.548	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1Cc1ccccc1	59418165	SWGOCCLOKBLXFB-YBFXNURJSA-N	456.932	5.910	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Cl)c1	113830726	GJEPFTNNIXIPMT-VGOFMYFVSA-N	455.742	5.417	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223053331	LYNKLAQBOXHIMA-PKTZIBPZSA-N	455.027	5.152	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224236411	UECLVPHKZASDJJ-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)cc21	224891032	CBRAFHZECXAUKT-UIOOFZCWSA-N	472.633	6.338	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1ccc(Br)cc1Cl	408526632	BUFIVVWTRBUGLV-WQLSENKSSA-N	459.558	6.128	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(Br)c(Cl)c1	408529973	IICPXRHLINWWAS-ZROIWOOFSA-N	483.591	5.892	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)SC2=S)cc1	408575387	KTEKTLOZBFPZKP-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c1	408877613	WFAZBCBNVUNCIH-WSDLNYQXSA-N	493.390	6.176	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)NC1=S	409172572	KXYSTUBVPUFQOQ-PXLXIMEGSA-N	473.598	5.057	10	40	JKCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409175979	GTBJMKATGTZCDW-AUWJEWJLSA-N	475.735	5.490	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1	409228083	TXXBWMUPRREZNC-XDHOZWIPSA-N	483.376	6.119	10	40	JKCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O	409350588	RUHHREFBQLHXOV-WQRHYEAKSA-N	492.416	5.105	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1ccccc1Br	924780	TXYMMXOYOYARST-UHFFFAOYSA-N	486.366	5.824	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21	4404087	AZOLUUUBSCUYPP-GWANMFGPSA-N	497.502	5.210	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1	8821274	CVGHRBXLULAZQQ-KQWNVCNZSA-N	474.607	5.049	10	40	JKCB	
O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O	9445107	YRESENKXMTVXGM-ULIFNZDWSA-N	481.511	7.287	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	9884835	QREKVLJPSMJDQX-DWKHYPNZSA-N	487.546	5.373	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc2ccccc12	13899171	BKKKECPTSZGUMY-XKZIYDEJSA-N	480.973	5.577	10	40	JKCB	
CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)cn(CC(=O)NC3CCCC3)c12	20059459	ZMUAFQZPMWRMMZ-TURZUDJPSA-N	489.619	6.481	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	26681021	XIIYOVSWWIUCNG-SCORJZKRSA-N	462.918	5.298	10	40	JKCB	
COc1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	33430095	NFZVMOBLWPFAFM-BWAHOGKJSA-N	491.634	5.945	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC	35039097	URORAHQVIWGLGS-CJLVFECKSA-N	457.617	5.327	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OCc1ccccc1	41083688	OTOLXKYSSRFWNI-FDGNSCPVSA-N	484.375	5.204	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O	59138956	QZXCETDCNQSCAR-FOWTUZBSSA-N	485.721	5.371	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21	208190630	YHOYLVVEYYXCJV-VGSSETLESA-N	472.372	5.382	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466847	WBHYAFNBRVHHET-IZZNHLLZSA-N	488.060	6.019	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223855401	IFSNRBQDLCVBNG-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223855545	IFSNRBQDLCVBNG-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C	224267966	LWGFTCXWGQGKGU-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436681	ZFDVEYZOBMKXHV-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc2c(c1)OCO2	225019072	QOKYLRJMAXTOFE-JWQCQUIFSA-N	460.603	5.133	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)c1	260567731	MMWNSQVZPMECKC-LSCMLXDISA-N	473.617	5.779	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408577258	SDBMISBRSMIKQU-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
CCCOc1ccccc1/C=C1/C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O	408605066	WRWFEGULSMHOQT-MOHJPFBDSA-N	470.594	5.841	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)o1	408742417	OVLZRBBLFJPULG-XNTDXEJSSA-N	452.260	5.907	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3OC)C2=O)cc1OC	408752590	FCJISZJKBSZRPE-LDADJPATSA-N	482.363	6.491	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	408800971	QNUDQDNXUGZORS-OEAKJJBVSA-N	474.944	5.511	10	40	JKCB	
Cc1cccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408803397	OKVJXGHLPPIEDX-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Cc2cccc(F)c2)c1	408884557	YHVPRCGYOZGILD-UDWIEESQSA-N	499.325	5.398	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408968191	URFWJUVRGAOQMI-OYKKKHCWSA-N	496.438	6.791	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c(C)c1	409130088	IGPVPUCRFCHNJH-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(C[C@@H]3SC(=S)N(CCc4ccccc4)C3=O)c2c1	409146899	VLOBCABLBKDTMM-DEOSSOPVSA-N	465.640	5.651	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409177746	GYDJCEHPDIJFSZ-GIJQJNRQSA-N	484.788	7.452	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	409207055	ZQRYYPMKRSMVKI-PXLXIMEGSA-N	492.417	5.210	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1	409242116	MCTHURHMTWUWEC-WOJGMQOQSA-N	470.381	5.232	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)CC	409340116	QPESOLKAULGQOL-ZXOFLVKFSA-N	491.034	5.462	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	409347390	PQUROWXSTBSPTH-PXLXIMEGSA-N	454.016	7.078	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1	409347760	QXXWIAZDPPPVJQ-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1C1CCCC1	1105138	AZMQGIPGQHEJSS-PCLIKHOPSA-N	463.537	6.088	10	40	JKCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1C	9057215	ZGYKHSRKBXYVIQ-BWAHOGKJSA-N	475.635	6.557	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	9282068	DWYIRSPYXAWJFA-QLSUFNALSA-N	462.962	5.541	10	40	JKCB	
Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	9679097	RTSBMFBVOKVDQR-KGENOOAVSA-N	483.351	5.221	10	40	JKCB	
CC(C)OC(=O)CCCCCN1C(=O)/C(=C\C=C2/Oc3ccc4ccccc4c3N2C)SC1=S	18173693	VATMPDATNDILKH-TZKOODLUSA-N	496.654	5.766	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)cc1	18193708	LHXHTIFCTTZTEH-DHDCSXOGSA-N	498.196	5.398	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	34377890	RWFYGGFPOYWRDH-KUYAPCGNSA-N	469.998	5.566	10	40	JKCB	
COc1ccc(N2CCN3c4ccccc4C[C@@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@H]3C2)cc1	36056328	YBTIOWHKOXIQEX-IAPPQJPRSA-N	487.003	5.009	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1O	59484787	JXFHAEIRKILXTA-JJIBRWJFSA-N	492.531	5.836	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	96505161	YFODTSYIAPTHSZ-FYJGNVAPSA-N	471.525	6.690	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	106746711	UNUROUABTHEWGK-IWIPYMOSSA-N	474.582	5.749	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223723238	ISBZWGVEFAYPIW-RPWUZVMVSA-N	483.037	5.068	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224205269	VGANSRSMEKDATJ-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224366734	ZMVHWRIGRNHQSX-XZWHSSHBSA-N	494.708	7.352	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224468576	UENKXYAHRLFPHA-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	224567169	ZAPOBWKYCVJXIA-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)nc1	224904898	JJTITGIADRNDQW-FTJBHMTQSA-N	471.605	5.817	10	40	JKCB	
C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCCCC2)cc1	225665627	BZZNEXCYVHARMF-QFIPXVFZSA-N	499.724	7.253	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)Nc1ccc(Cl)cc1	408572023	DVVLGNLNDRQEGL-HMAPJEAMSA-N	495.025	5.759	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)ccc1Cl	408762574	DZGOPPRFPPKRQU-AQTBWJFISA-N	480.347	6.260	10	40	JKCB	
O=C1C(=Cc2ccccc2Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408880161	GESYAMYPQPHFMO-UHFFFAOYSA-N	492.575	6.165	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1	408882082	PGAKJHBMRUUHRA-MTDXEUNCSA-N	488.587	6.331	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Br)cc2)SC(=S)N1c1ccccc1	408902360	NFLQWDLEFOATNC-KGENOOAVSA-N	482.424	6.434	10	40	JKCB	
COc1ccc(CN2C(=O)[C@@H](Cc3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	409149941	WEPKIMKETDQCNR-HSZRJFAPSA-N	484.042	5.899	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1C	409246730	CZYZJNHZNOUXFT-DEDYPNTBSA-N	461.949	5.339	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O	409250182	PZPJTGQXWOJIOW-WPWMEQJKSA-N	492.579	5.341	10	40	JKCB	
O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(O)=NC(=S)N1c1ccc(Cl)cc1	8742792	OROKPJLKUBUDPE-GZTJUZNOSA-N	475.378	6.409	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c(OC)c1	8821439	DONPSKYKZCVPJX-RGVLZGJSSA-N	492.405	6.676	10	40	JKCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	9293317	JSGFMHONLPQXHR-RKQIHDTFSA-N	464.403	5.341	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	9425755	ZZQYXPRUUKQFSQ-DEDYPNTBSA-N	461.445	5.693	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S	9462009	MLEMVVULEXFEIG-BDBXIWDTSA-N	486.707	5.488	10	40	JKCB	
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1C	11565479	NUOGULSRJAUIIC-HMAPJEAMSA-N	482.627	5.432	10	40	JKCB	
COc1ccc(Nc2c(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)nc3ccc(Cl)cn23)cc1	12370931	GEKFOZHCBJJLQV-UHFFFAOYSA-N	483.877	7.686	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N\c2cccc(/C=C/c3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	13403827	RRVMYYAEPMQLSF-ONDOVZKQSA-N	470.510	6.254	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	13685950	ZZWMBDDHFVCXGS-JTMDUIFQSA-N	459.458	5.875	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1cccc(C(F)(F)F)c1	16268522	NQUMBLVVWUHSJI-UDWIEESQSA-N	453.420	5.620	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C[C@@H]1CCCO1	19880523	CJZRPESTCOSZEY-HAKPAVFJSA-N	450.379	5.089	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1	33416797	WBRPSFBFSJIBEV-DDSBZIKFSA-N	471.561	5.518	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Br)cc1	33927639	UVMBSVDEIDVYGI-FYJGNVAPSA-N	477.354	6.326	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	34720845	HRCYYOSZZCDMHA-ULNSLHSMSA-N	499.541	6.142	10	40	JKCB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	58847020	AOZJPWQLVQADTD-XLNZFTOWSA-N	465.506	5.361	10	40	JKCB	
Cc1ccc(C(O)(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c2ccc(C)cc2)cc1	103561232	WEXPGFZYRGKWLN-BYYHNAKLSA-N	478.346	5.799	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc21	208453326	HCNIJVKZZUINCU-RGVLZGJSSA-N	494.389	5.056	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223780556	OQKSZXTXNRKPKF-FTJBHMTQSA-N	470.598	5.375	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Cl	224165697	XTDAIRHUWLKRPE-RPBOFIJWSA-N	459.018	6.320	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224470458	KHUMUYXIFFVCOB-RPBOFIJWSA-N	474.033	6.023	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1NC(C)=O	225332497	ITUGHGPYMMGWJM-KAYWLYCHSA-N	497.624	5.325	10	40	JKCB	
O=C1C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408759926	OHDXBVRSJJYRLB-UHFFFAOYSA-N	482.586	6.179	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OC(C)C	408875816	LGXOTALCWHYWCH-UHFFFAOYSA-N	486.593	5.621	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1Cc1cccc(F)c1	408879206	BFRNXRNDWBHXIX-CIAFOILYSA-N	492.934	5.362	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S	409067840	RKCKMRMRLIROAD-RCCKNPSSSA-N	479.026	5.885	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409089238	ZCDUCNPSYZVRFP-BWAHOGKJSA-N	464.952	6.754	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409136339	YNPVUOMBMGRSCA-QQXSKIMKSA-N	487.694	6.938	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c1	409236882	GNUIDAGKKRJIMS-CIAFOILYSA-N	463.990	5.196	10	40	JKCB	
C[C@@H]1Cc2ccccc2N1C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	409333136	HYAGMDNSJHCGPF-GOSISDBHSA-N	471.585	7.204	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3)SC2=S)cc1	2350481	RVNMSUOZKPASSM-KQWNVCNZSA-N	469.591	5.954	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCCOc3cc(C)ccc3C)c(OC)c2)SC1=S	2882624	AYLLWNASXBAKON-JCMHNJIXSA-N	457.617	5.381	10	40	JKCB	
COc1ccc(NC(=O)c2c(NCc3ccc(OC)c(OC)c3)sc3c2CCCCC3)cc1	2909656	JBMIPSXLOJIPKV-UHFFFAOYSA-N	466.603	5.907	10	40	JKCB	
Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)cc2C)c(C)c1	8870357	KMVAOCIXKBUYAU-UHFFFAOYSA-N	470.641	6.188	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccccc1C	9805353	NIRKWZLKPRXPFP-BWAHOGKJSA-N	491.634	6.257	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	12600984	OBXQGCUWBKHCNE-QVIHXGFCSA-N	470.451	5.982	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1	15011315	IIWCZMGMHDCQMW-JJUBJSHISA-N	452.576	5.209	10	40	JKCB	
CC(C)c1ccccc1OCCn1cccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	33330874	LRHSHLBLYMGDSI-JWGURIENSA-N	461.493	5.336	10	40	JKCB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCCc2nc(-c3cccs3)no2)cc1	40093968	OKDNXESSJCJBKJ-UHFFFAOYSA-N	450.564	5.009	10	40	JKCB	
O=C(O)c1ccc(N2N=C(Cc3ccccc3)/C(=C/c3ccc(-c4ccccc4F)o3)C2=O)cc1	43194129	IZPMWFSVTDOCDI-QJOMJCCJSA-N	466.468	5.813	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	59135632	NETJBIISNOSXQC-YBFXNURJSA-N	485.298	6.218	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC	85877334	KMWUJKVGYUJROC-UHFFFAOYSA-N	489.528	5.615	10	40	JKCB	biogenic
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@@H](C)C3)=NC2=O)c1	102687134	JFKYITUZBYAZGF-GXDFBKAQSA-N	472.614	5.640	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222994520	AKAPBLQDFATEIU-VXKWHMMOSA-N	474.552	5.127	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1	223552354	WBMALCMWMCSWBW-IXOWOOARSA-N	459.590	5.470	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)nc1	224904851	JJTITGIADRNDQW-CLJLJLNGSA-N	471.605	5.817	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)N21	260756122	DJGKBUKACJTHEK-ZGNKEGEESA-N	453.055	6.346	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)c1	408538252	ZOGHNFLJEOVQBT-UNOMPAQXSA-N	495.318	5.187	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)c(Br)c3)SC2=S)cc1	408600951	HPVWIDAMNLRWGN-UDWIEESQSA-N	492.460	6.288	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1ccccc1F	408879731	FDNGKYBMOLXSBG-HYARGMPZSA-N	472.516	5.098	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409011459	GRJHXABVDKONOI-QNGOZBTKSA-N	452.982	5.753	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=S)N1Cc1cccnc1	409143641	GPYDUOJWDRRVJM-NRFANRHFSA-N	489.449	5.939	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1	409144697	GBNTVUKXLMKPRS-KQWNVCNZSA-N	458.539	5.065	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCCC3)c12	409146928	TZVFQOIGNRUNID-KQWNVCNZSA-N	489.666	5.622	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)o1	409169920	RGOPQBKMQFMRQW-JAIQZWGSSA-N	496.928	5.282	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc2c(c1)OCO2	409326866	FPCADTWXQHHBSV-DJKKODMXSA-N	486.914	5.643	10	40	JKCB	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Cl)cc1Cl	409344827	HLSXAFGNKKMPLW-WQRHYEAKSA-N	451.400	5.236	10	40	JKCB	
O=C1/C(=C\c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2F)N1c1ccccc1	2190058	LLVNVQLVKBFEKH-SOEBIRPASA-N	472.519	6.298	10	40	JKCB	
CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	8819930	IIQJDSLMVCPJQI-QJOMJCCJSA-N	498.670	5.667	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)S1	8821736	FCJVFRBNMRXDRW-UUYOSTAYSA-N	478.957	6.008	10	40	JKCB	
COc1cc(SC)ccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	12531867	FZUNQMAAQCSRQC-UHFFFAOYSA-N	475.513	5.466	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2cccs2)cc1	20288632	MRZQJFLHBDIFRV-QNGOZBTKSA-N	460.584	5.181	10	40	JKCB	
CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1	20289070	RBRYZIKRYLWBNG-BWAHOGKJSA-N	457.530	5.240	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1c1ccc(Cl)cc1	35384217	WZPYPDJZBMHDCN-PCLIKHOPSA-N	482.923	6.579	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1	59135655	MBBPMAJHIYIOCC-LFVJCYFKSA-N	466.468	6.065	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1ccccc1	59422899	MIPHHCCPINKOIO-UDWIEESQSA-N	479.495	5.701	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	59435734	QVRZTYHCPFBZMW-STZFKDTASA-N	494.374	6.450	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3c(Cl)cccc3Cl)C(=O)N(c3ccc(C)cc3)C2=S)cc1	59484924	VSSDLOMGWYZWRQ-UHFFFAOYSA-N	481.404	6.359	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCC(C)C	96193326	OBSRYRXFWLGDMI-ZDLGFXPLSA-N	456.926	5.278	10	40	JKCB	
C/C(Nc1cc(Cl)ccc1Cl)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	103920943	REWLUXALJZPGST-STZFKDTASA-N	467.312	6.039	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)SC1=S	113830757	WECBXHXDNIUEON-GIJQJNRQSA-N	454.400	5.802	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1	223097512	MORVNTAQVAYTBT-LOSJGSFVSA-N	465.066	6.448	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)C2=O)c1	223582129	JYOFCBBYZPGFJV-TTXZLZEXSA-N	475.589	5.172	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223600802	LEHHBSLLLWUUJW-QQZPLFJDSA-N	496.076	5.980	10	40	JKCB	
Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223611077	CDOZDGZCFYAAJS-RYFGYPJOSA-N	458.624	5.484	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223795539	ZSTZUFYAGDFBDO-IZLXSDGUSA-N	482.653	6.373	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864877	QRKXKLAUDGBVFM-IXCJQBJRSA-N	482.653	6.243	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1	224229876	NMDMDMKUVVACRM-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC	408540996	XCQBXHGHBNAGNM-CYVLTUHYSA-N	484.980	5.673	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	408574274	LKBZKELQEMCSCQ-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
CN(C)c1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	408848524	QWLHHGDEGZRETA-UHFFFAOYSA-N	476.536	5.127	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccc(C)cc1	408881476	MMYUESLMRKDJSJ-KQWNVCNZSA-N	484.552	5.202	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O	408898053	JWSZQZDIHZEQRK-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1	408995084	IPRQSSIFNUZKCY-BUVRLJJBSA-N	465.578	5.138	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1	409042729	XOBQIIQRIUDMQU-YVLHZVERSA-N	492.831	6.421	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1Cl	409238726	NMVVFHNSIKIJDO-SFQUDFHCSA-N	454.960	5.224	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S	409338102	DAZJIVYRAKCFHI-SXGWCWSVSA-N	454.451	5.627	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)ccc1Cl	409341794	BUEBXFQFQVKRGC-XDHOZWIPSA-N	455.944	5.792	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(OC)cc1)N1CCOCC1)c(O)c1ccccc12	1448586	SCFGEGUTUOYCPH-VWLOTQADSA-N	475.541	5.207	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)SC2=S)cc1Cl	3768768	FVRBBIGGMJVHGK-LZYBPNLTSA-N	470.797	5.526	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	8783598	JUVWKLNEQWVVNU-ASGGMOCVSA-N	492.660	5.458	10	40	JKCB	biogenic,in-vitro
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c(OC)c1	8821767	PWOQESXZJADTIC-QRVIBDJDSA-N	480.973	6.019	10	40	JKCB	
CCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1Cl	8846082	WEIGTWBTJCCAFV-IBGZPJMESA-N	451.394	5.280	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(F)cc1	8872165	XUXGSHUUXGPAOF-NBVRZTHBSA-N	476.334	7.864	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	9188736	HCJQSPWLCONODG-ZHZULCJRSA-N	482.671	5.842	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc1	9849446	SCKJLJVLLROGAC-MOSHPQCFSA-N	453.516	5.668	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(O)=NC2=S)cc1	9934879	DJCGTIHUFOKNBQ-BUVRLJJBSA-N	481.577	5.678	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	16480467	WYQKHIZSINUKDD-MOSHPQCFSA-N	477.860	5.334	10	40	JKCB	
CCCCCCOc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)cc1	16638322	FVNFFQSWGSHMLV-CJLVFECKSA-N	492.062	6.246	10	40	JKCB	
O=C(Nc1ccc(Nc2cc([N+](=O)[O-])ccc2O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1	20027312	KMXGXKBYTYRGHG-UHFFFAOYSA-N	479.448	5.072	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cccc(Br)c2)cc1	20289010	YQRZHQZDPAETPK-KQWNVCNZSA-N	492.373	5.603	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1C	26743485	NJMDBLMSTNWQDA-UGIGCIEISA-N	476.602	5.427	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	33826552	GYIYUESYRZOHOB-FZMXLXIHSA-N	460.390	5.676	10	40	JKCB	
CC(C)COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21	96114575	XEWBRUCWQHDOKF-KRWDZBQOSA-N	488.492	5.053	10	40	JKCB	biogenic
CC(=O)N(c1nc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1ccccc1F	96663338	NZPCHBPBNSTJCF-YBFXNURJSA-N	452.536	5.358	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1	113830445	GDFOYQIJKZFHDP-YBFXNURJSA-N	467.484	5.477	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)c(C)c1	208219230	WVNLLNWJCAVQHK-VLZFXTDASA-N	477.630	5.700	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208236209	CTMBIIXAHFEPHF-RVZJCZPVSA-N	468.022	5.202	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222965915	AKUOFVUNMHIZOX-XZOQPEGZSA-N	483.479	6.024	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(O)cc1	223386161	FEBVPACYAWEFRC-IZZNHLLZSA-N	454.599	5.367	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223723084	VGLCMPCUXOOZLE-BJKOFHAPSA-N	483.037	5.068	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	224226096	MLCGVPWERLAHCQ-FTJBHMTQSA-N	489.088	6.852	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C	224272031	RDUBURRFEATMTQ-NSOVKSMOSA-N	496.636	6.012	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224339489	PXVFDUVFRVSGAK-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	260924310	UFIWMPLXDUWMGE-LOSJGSFVSA-N	458.606	6.030	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1	408814539	ZJDCYEGADWAKIH-FYJGNVAPSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1	408882847	OKCDYFGIIPNVBC-FYJGNVAPSA-N	479.363	5.867	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1	409332552	QEQBBEZYUMPOPG-WOJGMQOQSA-N	464.406	5.651	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	409345990	MCYNBNGZWUUYSM-SXGWCWSVSA-N	484.824	5.916	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409352103	WGSRDAHZUDFZPM-SXGWCWSVSA-N	495.376	5.170	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1C	2432740	ONYMVCUFMVSAHU-JYBCESJWSA-N	477.655	6.246	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCC(Cc2ccccc2)CC1	8820509	FDDKFTUBJIXKLZ-YXCMAKQYSA-N	490.694	5.706	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(OC)c3)C(=O)N=C2S1	9008176	HXYOOGCDPXIKMH-AKZCVUIYSA-N	492.601	5.189	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1	9193658	CPUQTBFRFYGSOX-KOXZJICBSA-N	499.596	5.191	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S)c1ccccc1	9225163	PZLHYBABPWTTGQ-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C	9310211	UJSGOICYYICMBC-LAPLDCDFSA-N	451.699	6.178	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S	9805571	HBMZTCIZXAAJLW-MOSHPQCFSA-N	451.525	5.449	10	40	JKCB	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1	12376072	IMALRYCLIFMOHA-PDGQHHTCSA-N	460.902	5.692	10	40	JKCB	
Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(c3ccccc3)CC2)c1O	13098096	BNYFSEKLPUDEBO-UHFFFAOYSA-N	451.570	5.428	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)OC(=O)Cc2coc3ccc4ccccc4c23)c(C)n1-c1ccc(Cl)cc1	13134125	WUPARJIAQSXIDK-IBGZPJMESA-N	485.967	7.004	10	40	JKCB	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	16194583	NORNGMHVBBOENR-MDZDMXLPSA-N	452.293	5.429	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1	16678550	LRHLKQZPGDTOPB-OVCLIPMQSA-N	456.502	5.901	10	40	JKCB	
O=C1[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1	17748726	NBVUTOWQEBFCTK-QKDODKLFSA-N	499.522	5.049	10	40	JKCB	biogenic
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(C)c5C)c4C)C(=O)N=C3S2)c1	35125342	VXQIKYLVKCIKKJ-YLOHPIGASA-N	497.624	5.718	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208326667	GITOGBLSEUEMAX-VYZAVGSRSA-N	451.998	5.853	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1C	223500882	YYQMRIUZEJTRPA-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224534272	GYVWDSZDJCGETD-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C	224557035	FVYTYQNCCDGLKZ-UIOOFZCWSA-N	470.642	5.899	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc2ccccc2c1	408782233	FYSLLGHTWCGVRO-PCLIKHOPSA-N	492.531	5.402	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c4ccccc34)C2=O)cc1	408785856	IQTRJXDDLDHPTK-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(Br)cc2)c1	408845329	VZUYBUGUCKFTMA-XSFVSMFZSA-N	462.303	5.500	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(N(CC)CC)cc3)C2=O)cc1	408985855	NQUYGDOTQSXXEO-FCDQGJHFSA-N	473.016	7.056	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1cccnc1	409162662	YGHWCLFZJILHBU-OAQYLSRUSA-N	472.994	5.425	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1	409228337	XOCBIVRIBFJVNT-OVVQPSECSA-N	499.680	6.391	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S	409329527	FFUOBOLQZMAVHR-BKUYFWCQSA-N	499.038	7.114	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409339446	ICTZPJIPFRKKMX-HAHDFKILSA-N	498.626	6.106	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)SC2=S)cc1	1417318	VDPHNCXZXPPNGN-HZHRSRAPSA-N	490.606	5.129	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1	8820865	JFUBXMQAPUOPQP-XKZIYDEJSA-N	466.946	5.716	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1	8821498	RMMGERZBLBLKNB-UDWIEESQSA-N	450.497	5.463	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	9164916	CKJCMQBUBFPCMK-HYTQYMIGSA-N	464.572	5.447	10	40	JKCB	
O=C(O)c1ccc(CN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	9262082	PEWRSEZTGASBBB-NDENLUEZSA-N	450.321	6.159	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)cc1	9659821	AWMBKYTYDOCJPR-HORDIMCOSA-N	450.589	5.939	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	12032456	FHBQBZCRWPNWRX-HMMYKYKNSA-N	473.063	5.759	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1cc(C)ccc1C	12350230	XAYAUERDYVGSGK-XIEYBQDHSA-N	470.569	5.966	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Oc2c(F)c(F)cc(F)c2F)c(C)n1-c1ccc(OC(F)F)cc1	12525040	KILCIFYSGUSBIH-GFCCVEGCSA-N	457.370	5.902	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	16349755	UETJZXCKWPWXPP-HAHDFKILSA-N	480.977	5.168	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1	40006360	WXQZQVDBEFGICZ-UZQMFHLOSA-N	476.019	5.308	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(O)=NC(=S)N1c1ccccc1F	59136433	BQKBIDUPCQBPED-CJLVFECKSA-N	482.536	6.230	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2	102719693	FGXRBQFPIUKGOG-WINIVTDRSA-N	479.536	5.905	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c(C)n1-c1ccccc1	205659052	PAJUDTSFUWBKFB-LSHDLFTRSA-N	466.946	5.713	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21	208254062	BPNXARUKFOFVPE-YYLUKMIBSA-N	458.986	6.438	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	224569625	VARHERPOLRXHFM-NSOVKSMOSA-N	497.668	5.741	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)cc1	224586804	ZPWDRSLPFWUGNZ-IZZNHLLZSA-N	470.598	5.375	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	260917893	JPXCINXCNWAWPU-UIOOFZCWSA-N	489.088	6.539	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2ccc(Br)cc2)cc1	408754329	MSGRYLPNOIXTPJ-KOEQRZSOSA-N	467.366	6.745	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1C	408854890	KIPDUWJTQSHSNZ-XHPQRKPJSA-N	477.589	5.842	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)c1	408876909	OTAFRCIGOLYDHP-FYJGNVAPSA-N	493.332	5.154	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408879539	GVPXTUXRVJGFMA-XDHOZWIPSA-N	497.334	5.247	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408889847	JVNQSRWHQYWNPY-LPYMAVHISA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1	408894849	JHLUPNUAJIGPOA-FYJGNVAPSA-N	464.880	5.033	10	40	JKCB	
Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccccc1F	408971927	MCJUSQLXXXKJMM-JCMHNJIXSA-N	477.461	6.486	10	40	JKCB	
COc1c(Cl)cc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409047887	PXMFHWVEOWGTMH-UHFFFAOYSA-N	467.308	5.585	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccccc3)c12	409127684	QVCIXXXXFUIVDV-OYKKKHCWSA-N	469.635	6.048	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OCC	409332603	QPAFJCLYWPDKHK-YVLHZVERSA-N	487.952	6.562	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409334158	VRUMLMBBRYHCHL-CIAFOILYSA-N	493.522	5.488	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(F)F	409344138	IYOKWKSSVWREPS-PXNMLYILSA-N	459.898	5.885	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409347746	RBRXKCCLCYTUNM-VCHYOVAHSA-N	496.397	5.144	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)SC1=S	409370110	LGXLGVOVJQPHTI-UCQKPKSFSA-N	483.058	6.548	10	40	JKCB	
COc1ccc(O)c(CN2CCC3(CCCCc4ccccc4OC[C@H](CC(C)C)NC3=O)CC2)c1	643578693	GEBDHCOKASVPQV-VWLOTQADSA-N	494.676	5.319	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1Cl	2323403	WLUMEIXXYSKNJA-XNTDXEJSSA-N	475.715	5.882	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	2965994	ZPVPSAFVTNXQSR-ODLFYWEKSA-N	468.427	6.192	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821458	KHRNSDMUTITVRM-GFHWABCWSA-N	470.399	5.954	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Br)c1	8872513	KWBZIHPXXRPXAT-PDGQHHTCSA-N	491.179	5.479	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	9281024	MRYJWRANVQWRET-IXODWGBUSA-N	498.996	5.711	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br	12414052	UQEZOVJKTGKDND-SXGWCWSVSA-N	487.366	5.940	10	40	JKCB	
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	13775006	KMIPBTTVMRIDDA-HYARGMPZSA-N	460.411	5.678	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c3ccccc32)c1	33361288	PKNAFMZYSLUGPX-OEAKJJBVSA-N	469.928	6.158	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2O)c(OC)c1	33417665	ANKDJNMVANAZIG-BKUYFWCQSA-N	492.915	5.443	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	33561625	GFIFYZFJARVWAP-LDADJPATSA-N	453.926	5.558	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N1CCc1ccccc1	33739917	XSXYIXHQEVURIG-PLRJNAJWSA-N	465.553	5.184	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1	58846833	AVIQAPMVOKZUTA-CLCZQPDDSA-N	488.609	6.136	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58848089	KGYAWAFGQBEFQN-OUDXUNEISA-N	495.000	6.004	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Cl)c1OCc1ccccc1	59136105	MXLCJNVJSKQTGI-GZTJUZNOSA-N	496.947	5.738	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1O	59484904	QFGKPQWPRWFALE-XQNSMLJCSA-N	478.504	5.446	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1	223332567	XIGBTSOKPVLLJX-BJKOFHAPSA-N	496.558	6.274	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223349825	JPLPEWJNOWSHKG-CLJLJLNGSA-N	456.615	5.872	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224431347	FUDFCPQYNMPDEB-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436262	GZIITSFHGNVATG-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224837290	XVLOTEWUKONBJS-NSOVKSMOSA-N	498.652	5.992	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225031774	XOCSJPJSHKHCFS-DQEYMECFSA-N	474.630	5.191	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)c(C)c4)c3)SC2=S)cc1	408574799	DEVJXPQWDVKEAZ-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccc(-c6ccccc6)cc5)c4C)c(=O)n3c2cc1C	408742743	YAZMAEIFAKNWMM-OGLMXYFKSA-N	475.617	6.148	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1	408776980	UBQQVAHPZCMJDO-OEAKJJBVSA-N	469.928	5.318	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)S2)cc1	408781016	PXCUKCNWRLZYMQ-ASZNLBCTSA-N	453.611	6.409	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)C2=O)cc1	408983098	KKNCSLXRWLOHSO-ITYLOYPMSA-N	484.600	5.169	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C	409017074	DZIIVHMCZPOOIA-YBFXNURJSA-N	467.953	5.026	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cc(Br)ccc1OCc1ccccc1	409138990	KVCJFTKPNPWMJB-STZFKDTASA-N	493.382	5.428	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1	409232500	ISWNCSCNCGJWQK-KGENOOAVSA-N	461.949	5.285	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C2=O)c1	409241164	RTJIMUDZZWVFKO-FYJGNVAPSA-N	464.363	5.258	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1cccc2ccccc12	409330780	LZNWSMLKOCELFM-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1cccc(F)c1	409346144	MQYOCWHTEBIKQW-JMIUGGIZSA-N	497.485	5.840	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccccc1F	409347709	MOQTUFJLZFTKHB-ZDLGFXPLSA-N	460.895	6.053	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)SC1=S	1151602	YVPMMGBWHVUGSC-LSCVHKIXSA-N	477.394	5.282	10	40	JKCB	
CCCCOc1ccccc1/C=C1/SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O	2313958	UWGPWWUYMIDVDT-OQKWZONESA-N	456.011	5.311	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1	2679396	QXKCBYWFUPEXFC-UHFFFAOYSA-N	479.627	5.867	10	40	JKCB	
Cc1ccc2c(c1)C(=C1SC(c3ccccc3)=C(c3ccccc3)S1)C(=S)C(C)(C)N2	3770954	UJYLCGMEGFAMCI-UHFFFAOYSA-N	457.689	8.244	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1)c1ccc([N+](=O)[O-])cc1	6475280	JFGOGUHCUWAEIJ-QQNWGBJXSA-N	461.521	6.827	10	40	JKCB	
Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccc(F)cc1	8407951	QKBDBEAAFUBHII-LXOJQUDUSA-N	485.466	5.319	10	40	JKCB	
Cn1c(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)nc2ccccc21	8869976	GAWICCCXCKVILF-KNTRCKAVSA-N	459.637	5.370	10	40	JKCB	
O=C1/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)SC(=S)N1c1cccc(Cl)c1	8870047	HQZLPLRLLVJHLW-BUHFOSPRSA-N	483.448	5.635	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1	9424377	YPXBGHSKRCTBHM-HIHWOFHQSA-N	487.972	5.290	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1Cc1ccco1	9634102	WEUFOZKDUXRELW-MFOYZWKCSA-N	491.344	5.612	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1	12032445	BOTGYDUKQVXSDS-XSFVSMFZSA-N	479.652	5.739	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	12468679	PRLJSRVZWIPGCE-VFVRVIDISA-N	465.185	6.055	10	40	JKCB	
CN(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)cc1	13025186	UHZRNHJLKNHMLC-XMMPIXPASA-N	465.981	5.446	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Br)c3)C2=O)cc1	13810050	ZZXBPCVLOZFYGW-PDGQHHTCSA-N	475.433	5.378	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@H]32)c1OC	20070076	VVMZJLWTGKRRJZ-QJMRKGMQSA-N	480.561	5.470	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	33782920	SUJAWCDLCZKHEP-HAHDFKILSA-N	494.594	5.162	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N1C1CCCCC1	59109554	SRWMBLVMPCIWCV-HKOYGPOVSA-N	471.557	5.745	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl	59135188	QDOQRWCPQZUFEB-XDHOZWIPSA-N	480.879	5.573	10	40	JKCB	
Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NC2(CCN(Cc3ccccc3)CC2)N1	65297973	LITHVWGOKQDLLS-VWLOTQADSA-N	480.439	6.215	10	40	JKCB	biogenic
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(/N=N/c5ccccc5)cc4)C3=O)n2)cc1	100510825	PNSAIINCPMVJIU-RHLUGTCXSA-N	495.568	7.109	10	40	JKCB	
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102722382	KRJYEFZBUAXKED-XPWALMASSA-N	482.367	5.111	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	222875043	DRISUXZMIZSJPJ-FGZHOGPDSA-N	469.452	5.634	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c(C)c1	223231186	CVKDORBUBPYWBA-XNMGPUDCSA-N	475.706	5.339	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c(C)c1	223465930	HFEAMIPFSNWCRN-XCZPVHLTSA-N	481.669	5.982	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467012	FGPSYBYDNFTNQE-FTJBHMTQSA-N	497.624	5.063	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542915	VDFWZSCYAQYTPV-UIOOFZCWSA-N	497.624	5.063	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223585635	DNEXJASTJCSVIO-QCYAWUEASA-N	491.657	6.091	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	223713615	GKMLKLYZYSBSOJ-RPWUZVMVSA-N	499.080	5.292	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1-c1ccccc1	225358471	QZNKMIOHPHPLKI-KAYWLYCHSA-N	468.626	6.145	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3SC)C2=O)cc1OC	408754912	LTSVLJLHLMCCNM-XMHGGMMESA-N	463.986	6.550	10	40	JKCB	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1	408761930	ILZALZKDYKFDAY-KGENOOAVSA-N	489.955	6.005	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1cccc(Br)c1	408844940	PTHJVYCUHCIRNY-DEDYPNTBSA-N	482.175	6.046	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC(=S)N1c1ccccc1	408901508	GGODOWFJKRMZJI-UDWIEESQSA-N	490.408	7.117	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O	409010987	GPUSUGJJCKXZFB-VGSSETLESA-N	467.374	5.389	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)NC2=S)c1	409231327	BWQATASBRZGPOO-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
COc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccc(C)cc4)n3C)n2)cc1	1355638	CRWNLBAMTJQPMG-UHFFFAOYSA-N	450.589	5.258	10	40	JKCB	
Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	2633663	BMDHMVQWOCCIAE-UHFFFAOYSA-N	460.531	5.517	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3c(C)cccc3C)c(OC)c2)SC1=S	2873996	GZNAUDPGCOGZMY-ZHZULCJRSA-N	492.062	6.034	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C)C2=O)cc1	8820059	KHUZSONBXDNMRB-PGMHBOJBSA-N	482.627	5.182	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(Cl)cc2Cl)C1=O)=C\c1ccccc1	8833885	HQGTYPJZQKANSG-QIROLCGISA-N	491.465	6.560	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	9281168	LEUQNJVKJJAWQQ-QGNOBFDASA-N	455.587	6.057	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	9292068	RXCWWDWMGKYYEF-BIRLBKGPSA-N	453.571	5.378	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	9308091	JDLRBFXNZBTXIM-FCASDSMHSA-N	478.430	5.731	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1	9730844	SLFGHZRQFXZUMD-VKRJAPGXSA-N	485.613	5.675	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OC(=O)c1ccccc1Cl	97990652	BYHRZVXGWGMSTI-HYARGMPZSA-N	478.957	5.959	10	40	JKCB	
CC(=O)Nc1ccc2c(O)c(/N=N\c3ccc(/N=N\c4ccccc4)cc3)c(S(=O)(=O)O)cc2c1	104045305	AIHPHBBNLJQATD-MBBAZXQCSA-N	489.513	6.581	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	110422566	VEYKDWVISKDSCQ-FBHDLOMBSA-N	470.660	5.170	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	223060796	ZFKUYQIAVATJRT-DNQXCXABSA-N	485.053	5.160	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	223514371	JSMUORDORRAUIF-WSDLNYQXSA-N	477.992	5.725	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020333	STRCSHYLOPPGRB-LOSJGSFVSA-N	481.065	6.066	10	40	JKCB	
C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCCCC2)cc1	225665595	BZZNEXCYVHARMF-JOCHJYFZSA-N	499.724	7.253	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)cc3F)cc2)C1	260732764	AYIOIYRDCGMDEF-LSDHHAIUSA-N	450.421	5.872	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	260910003	BKNCYSUKIHTUBP-RPBOFIJWSA-N	456.615	5.596	10	40	JKCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc12	408820045	ZZLNQOLQRUNRNC-BUVRLJJBSA-N	498.922	5.444	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1	408867860	OETOVPWDNMKYOC-FYJGNVAPSA-N	478.907	5.135	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1ccc2ccccc2c1	408912593	RCXOHVGBDHXDPL-BUVRLJJBSA-N	466.468	5.224	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)NC1=S	409094021	BQPDCJFVXAJKQE-XMHGGMMESA-N	464.999	5.631	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)SC2=S)c(Cl)c1	409141125	MCIGFEJABDWNEM-DEDYPNTBSA-N	472.035	5.103	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)ccc1Cl	409327404	JOJMPEYTDVTFOC-KEBDBYFISA-N	499.953	5.521	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	658502	PPLGCCHOKBFWOM-WLRTZDKTSA-N	485.776	5.331	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1[N+](=O)[O-]	1132381	KIIAAIYAWIWAJP-UVTDQMKNSA-N	486.267	5.136	10	40	JKCB	
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)ccc1Cl	2414715	PMZHJKQNMKYPRY-WQRHYEAKSA-N	486.018	5.367	10	40	JKCB	
COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=S)cc1	4151158	JSQOJKSUCHHZTF-OEAKJJBVSA-N	498.714	6.178	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	8431635	QCJQIOXMFRVBED-VKPRAIORSA-N	478.640	6.255	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1Cl	9308222	UTKGHXBQRQSGFB-ZMXGXFJXSA-N	469.998	5.421	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1	12040440	QMVUHFFTSBSOTR-XKZIYDEJSA-N	486.014	6.312	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1Cl	13361793	QBVBLWYQYUIBEE-BPYKYCOYSA-N	495.000	5.974	10	40	JKCB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1	15947458	CKOTZNITJSGSJB-KWKYVRJSSA-N	472.202	5.532	10	40	JKCB	
O=[N+]([O-])c1ccc(/N=N/c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)s2)c([N+](=O)[O-])c1	16487889	NVGMBWLLWHDCDJ-BYYHNAKLSA-N	495.520	8.603	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1F	16689274	LXNXINRARGKIER-MYYYXRDXSA-N	493.625	6.513	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)c1C	33591288	REFWWKJTNNUPKF-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58849804	MJXHHAWDLSOYFK-LZCXECNNSA-N	491.569	5.539	10	40	JKCB	
C/C(NCCc1ccc(F)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	101623859	USYSTUQITMIMEZ-QJOMJCCJSA-N	456.546	5.293	10	40	JKCB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1nc(-c2ccccc2)cs1	102437994	PBHMFBJLPHZMMZ-BOPFTXTBSA-N	486.338	5.133	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21	208255290	BPBJFTAFFZTXEM-ZGFXFUDXSA-N	484.021	5.737	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21	208459487	JPWFQRFOEJJTIB-UUYOSTAYSA-N	453.007	6.517	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	223387499	OVYQXQGMOWRHLM-UIOOFZCWSA-N	482.609	5.360	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223419054	ZUKDKMYJSIKALR-NSOVKSMOSA-N	482.653	5.979	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)nc1	224241520	DKDFEYNXUDMLBN-UIOOFZCWSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	224399506	PZDRQXJMTDISAQ-RPBOFIJWSA-N	460.553	5.944	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225031466	LYGXUKFOSHRPOO-JWQCQUIFSA-N	474.630	5.191	10	40	JKCB	
COc1ccc(Oc2ccc(N/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1	408550634	INOIMOMFOBLRMW-UYRXBGFRSA-N	497.935	5.024	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)c1	408753502	JFXXAMPPGPRQOX-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1	408755764	PEIVAJSRDWIDLQ-UDWIEESQSA-N	455.714	6.076	10	40	JKCB	
O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1	408758200	HLHRBIKMXAARSJ-SFQUDFHCSA-N	483.774	6.745	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1	408809293	GUPMLOJQRHRWRQ-QGOAFFKASA-N	467.308	5.239	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1	408809589	HMJVSVSZSXHVAH-UHFFFAOYSA-N	451.797	5.240	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1	408882774	NXWAMGNWTWHQJI-XKZIYDEJSA-N	463.534	5.217	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	409105538	IJVMAXSTJDXJSH-XNTDXEJSSA-N	474.731	5.412	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2C)cc1	409129319	RONFYHKNCFIYFU-IQDKPADRSA-N	498.670	5.431	10	40	JKCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21	409134483	UCLGBRHNMSDGIE-RIWZNOJBSA-N	479.627	5.037	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O)Nc1cccc(F)c1	409231122	HQVYDSKAQWRVCS-OEAKJJBVSA-N	475.545	5.254	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1	409347323	PHLUIOSWDJTXKP-ODLFYWEKSA-N	472.931	5.923	10	40	JKCB	
CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CC)CC)cc1)N(C(C)=O)c1ccccc1-2	2094872	PJAPNCZILZZVMB-SANMLTNESA-N	491.661	6.111	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c(OC)c1	2444630	YVVGHZBSVKBINX-APSNUPSMSA-N	459.898	5.782	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1cccc(C(F)(F)F)c1	3389796	RSEYGIDQNGFVNF-CQSZACIVSA-N	475.532	6.339	10	40	JKCB	
Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)s2)cc1	9438988	CABBIPACVXFSJX-UHFFFAOYSA-N	486.578	5.096	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)c(C)c1	9763335	SQGWLGVDWHLKRQ-JAIQZWGSSA-N	479.535	5.366	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	13124259	AMCJWCNWFYKNKL-UNOMPAQXSA-N	474.429	5.110	10	40	JKCB	aggregator
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1	41082840	GJGSPOSABJVTCU-DXGGMCDASA-N	456.369	5.049	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1	59418235	GGMSYWQBUZVMIB-LPYMAVHISA-N	496.541	5.727	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(N(CC)CC)cc1	102649934	AAZRSLQVDVLBOU-GPNASLBKSA-N	493.651	7.493	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc21	208468770	DKEFOYCZLRTMSQ-WOJGMQOQSA-N	466.006	5.111	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(=O)O)c1	224605390	HKXOCOKTVGYSCK-RPBOFIJWSA-N	484.581	5.070	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1	225602894	JTGBHWNKRCUEJE-SVBPBHIXSA-N	499.615	5.321	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1	408572790	IJMZIVLDUGPMLQ-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccc(F)cc1	408576085	PQXCNHVKZQOFFY-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
CC(C)COc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	408599050	DBVSJXLJAFMXFX-GIJQJNRQSA-N	482.852	6.543	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1	408754112	INBGTTYDXXLGCL-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2)cc1	408760829	GISFKBJWHPWXJW-LPYMAVHISA-N	471.771	6.880	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1C1CCCC1	408784935	DMXZKFMJXYIJLW-UHFFFAOYSA-N	453.542	5.803	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1Cl	408814639	ZMXCJNACLOHFOL-RGVLZGJSSA-N	499.325	5.686	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(Cl)c1	408869093	QZZJWCXIWZOBMP-STZFKDTASA-N	492.984	5.149	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1	409128000	KKQFAEULGPRBMU-HZHRSRAPSA-N	466.603	5.887	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O	409244771	IKKUZSPYZSVCNR-FOWTUZBSSA-N	471.296	5.319	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)NC2=S)cc1Cl	409252628	SYVHRGCYUXPALD-RGVLZGJSSA-N	467.953	5.026	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409331192	MNTFCNCJEJANNT-VGOFMYFVSA-N	489.641	6.271	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1Br	409335134	YYXHSPDWAMTCLH-MFOYZWKCSA-N	484.824	5.916	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc2n1Cc1ccccc1F	409351250	ZYJBEQHSZKSLME-BUVRLJJBSA-N	464.631	6.671	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC	1452325	ZTSYUBZHXYLICS-PXNMLYILSA-N	456.372	5.425	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccc(OC(F)F)cc1	3416778	PHLCMAVQSKNWFI-ZDUSSCGKSA-N	464.446	5.093	10	40	JKCB	
O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)o1	13810515	JQEMJHZOBLEFFA-BOPFTXTBSA-N	497.326	5.079	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	35177244	QJFUAGIXEOAVBB-WPRPLIHDSA-N	489.604	6.109	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35851500	DVWSSKABWQUDNR-DSITVLBTSA-N	480.539	5.269	10	40	JKCB	
N=C1/C(=C/c2cccc(OCCOc3ccccc3Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12	41076789	NWIQWILVKVYRFJ-WHTRWQNMSA-N	492.944	5.058	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1	41083174	RQMYRXGDFIWUJU-FODUTYMCSA-N	476.602	5.652	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2	58848970	XCZQLYMTAOADNZ-ANSQWYIGSA-N	492.597	5.340	10	40	JKCB	
CC(=O)[C@H](/N=N\c1cccc2c1C(=O)c1cccc(Cl)c1C2=O)C(=O)Nc1ccccc1Cl	104125440	DENOJOSCTNRQOA-QPGSPHQCSA-N	480.307	5.449	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1ccccc1	218221895	PDVKKDMRVXJXAJ-LDADJPATSA-N	485.384	5.255	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223425170	VDPBYEGXTFRYAI-FQLXRVMXSA-N	496.680	6.287	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223578680	OQYPOYNPLTWZBN-WQZUMXOESA-N	459.590	5.390	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)nc1	224470890	RTBYPJBAZVETTF-DQEYMECFSA-N	474.033	6.023	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Br)cc1	225016338	INKHJYSKDCOQMB-DNQXCXABSA-N	495.490	6.167	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc2ccccc2c1	408692903	YBKNGANMGSWUNP-LFVJCYFKSA-N	484.552	5.222	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCc1ccccc1F	408840620	DREUMXOEBBKVJQ-LPYMAVHISA-N	464.924	6.263	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1ccccc1Cl	408867824	MCPYVKCMGGXNMN-CIAFOILYSA-N	495.362	5.649	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)c1C	408936498	KPDUQIIYEYTTIG-ONUIUJJFSA-N	476.532	5.702	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409059623	REIAKCJVSMGZMU-ONUIUJJFSA-N	454.570	5.978	10	40	JKCB	
O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1C(=O)c1ccc(Cl)cc1	409331795	ICDKABMCIWNESE-HMAPJEAMSA-N	459.979	6.688	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c1	409333646	UWVCWNJFBVDZQT-ZDLGFXPLSA-N	485.926	5.402	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1	1052051	MNBSQJFMUFSHGX-LFVJCYFKSA-N	474.586	5.131	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C(F)(F)F)=NN1c1ccccc1	1155442	AFYPHKXGKQLFHH-LFIBNONCSA-N	461.783	5.857	10	40	JKCB	
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1cccc(Br)c1	2282934	GAHVTORNWRGGOG-ZSOIEALJSA-N	455.196	5.617	10	40	JKCB	
Cc1c(Nc2ccccc2C(=O)c2ccc(Cl)cc2)nc2ccccc2c1-c1ccc(Cl)cc1	8426538	XKGXFNRIOYRPOV-UHFFFAOYSA-N	483.398	8.492	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)c1	8494786	XTUXOKLJNQZQBO-WJOFZGQRSA-N	496.592	5.429	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188833	LGRLWXLGKZCMMM-DIBXZPPDSA-N	495.625	7.464	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1	9281561	GLHMWOUZNQUROI-VYIPLNHISA-N	479.606	5.167	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	41083054	VXYFJQZVSUKUKB-IHVOSJJMSA-N	453.999	5.947	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1	41108045	WIUWTWLWAAPOHS-NEAWXCLQSA-N	469.570	5.101	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1	58847883	YTZSRXVNOZJGQA-LZCXECNNSA-N	465.018	6.584	10	40	JKCB	
O=C1/C(=C/NCc2ccccn2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	96609554	KCXPYVQQRXRBMQ-XMHGGMMESA-N	492.029	5.513	10	40	JKCB	
CCc1ccccc1NC(=O)N/C=C1\C(=O)N(c2ccc(Br)c(C)c2C)N=C1C	102516039	CVNOOASMVUAYDR-ATVHPVEESA-N	455.356	5.056	10	40	JKCB	
CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	107904029	AFKPIHPCNGEGFX-ZQHSETAFSA-N	486.601	6.332	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	222972077	MMJIWBNTCKUAMU-RPWUZVMVSA-N	479.606	5.179	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223824691	HSZKOEQOZBICNL-IZZNHLLZSA-N	483.641	5.768	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(F)cc1	224602882	LBXJNIMFAVBLEB-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O	408604615	VTABNPNFVYEJDZ-IMQIKVDYSA-N	484.621	6.229	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408810413	MDYYHSJGCYRUFE-FYJGNVAPSA-N	490.943	5.293	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C	408968771	YYCUMWNSNFHQIV-UUYOSTAYSA-N	468.384	6.056	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c([N+](=O)[O-])cc1C	409349734	QQOGLFDYKCHDSA-RGVLZGJSSA-N	481.511	5.786	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)N(c3cccc4ccccc34)C2=O)cc1	8424912	ZIEGREFOSBNNDS-HZHRSRAPSA-N	476.488	5.460	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc4ccccc34)C2=O)cc1	8819780	BEFXCKUGFLLCJP-MOHJPFBDSA-N	474.651	6.549	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1	8872204	KSQLIRIEYGHJQV-CAPFRKAQSA-N	468.896	6.980	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1	8951853	ZMXNFHLMGDSOCI-MTJSOVHGSA-N	471.771	7.032	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5c(C)cccc5C)c4C)C(=O)N=C3S2)c1	9161275	GCJMQOXAHSGXKO-ZHXICNOMSA-N	497.624	5.718	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1	9282719	RCNQWAKECUHZOK-ADKREUBMSA-N	463.607	5.467	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	9291338	VGQUWSNHTXDIML-XTOVRFJNSA-N	469.570	5.160	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3o2)cc1	10001860	HDHMNWOQAUJYBT-UHFFFAOYSA-N	475.545	5.619	10	40	JKCB	
CN1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4Cl)c(C(F)(F)F)oc23)CC1	19791514	VUOLHOFKGYHINW-UHFFFAOYSA-N	487.305	5.239	10	40	JKCB	biogenic
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1C	33918661	HFPWMBAGIRHCMM-DDSBZIKFSA-N	488.016	6.032	10	40	JKCB	
N=C1/C(=C\c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	34879758	ANVHSQJMEHMYID-BQFUFWTISA-N	476.558	5.478	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1Cl	41076334	OFVJHJBZPSJCKV-DEIISRMLSA-N	480.037	6.255	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847545	BOQCKKKDZOMGOZ-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc21	208475875	YVUSKIAXYOWGAG-RGVLZGJSSA-N	463.965	5.255	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223060242	XWAZLBKCXANRMP-BJKOFHAPSA-N	469.054	5.460	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223419130	ZUKDKMYJSIKALR-WUFINQPMSA-N	482.653	5.979	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503121	HYSYVHFQJVPYFN-IZZNHLLZSA-N	488.060	6.019	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Cl	223857741	XUNUQLSAMWVBGM-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224204371	KEERMRIXGJVXDZ-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C	224267574	PFOYTAPIGYBOAQ-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224365975	AJLSUCLJQPWOEF-URLMMPGGSA-N	480.681	7.098	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(O)cc1	224369114	KNFPKADHNJEORA-NSOVKSMOSA-N	482.653	6.495	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224462951	QHEYCYQIJAQPBM-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224529970	YUAQOWDMXQXJSL-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1	225504630	WUEUHPFVRMTZTD-SXOMAYOGSA-N	499.615	5.239	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)c2)cc1C	408724953	CIVOOTXFQJYTGT-WLJHDNBWSA-N	480.014	7.484	10	40	JKCB	
O=C1/C(=C/c2cc(Br)c(O)c(Br)c2O)SC(=S)N1c1ccccc1	408730653	GUKHNPMJGDXSIE-XFFZJAGNSA-N	487.194	5.029	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1	408737773	GSFSCZZCFXUNCP-RELWKKBWSA-N	478.504	6.725	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccccc1F	408779359	VJCCWXAKJUYWGS-YBFXNURJSA-N	494.906	5.042	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C1=O	408804820	BOFIUXXJGMKXLP-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1	408847135	ZSHBQZQMCBNOQF-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408867385	JUHUFFMASDSTTE-IWIPYMOSSA-N	479.045	7.282	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3cccc(F)c3)c(Br)c2)C1=O	408875448	IWLLKAGRACUXQR-DEDYPNTBSA-N	493.332	5.154	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408902654	PHAGDSLCFDZUHY-LPYMAVHISA-N	491.931	6.032	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccccc1	408971508	HEJQUUQNPSDNFO-QNGOZBTKSA-N	466.459	6.013	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc2ccccc12	409328217	QBTNEHXTIBIAOE-UQQQWYQISA-N	453.588	6.825	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)c(C)c1	2194827	HUIKQEFNJVMHEF-KQWNVCNZSA-N	477.655	6.248	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1	3764312	UZYFIUTUZSJXSU-JCMHNJIXSA-N	480.611	5.859	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cccc5ccccc45)c(OCC)c3)C(=O)N=C2S1	8453080	KFSKZJONCRBRML-CSEHATQYSA-N	498.608	6.237	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)N2CCCc3ccccc32)C1=O)=C\c1ccccc1	8820573	ZUEAJZFKGOMTSC-MFRPZORVSA-N	462.640	5.594	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1	9188786	FGIJIFWFXLCNLG-JLPGSUDCSA-N	461.608	6.242	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCCn1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21	13810858	LIJKYGPDVJRWTJ-IHBHZOCUSA-N	498.652	6.791	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)cc1	16292667	MOEFEUDVGLKRDC-HYARGMPZSA-N	491.341	5.003	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC	16692880	BVBHBNDIVGONOQ-WQRHYEAKSA-N	453.507	5.909	10	40	JKCB	
CCCn1cc(/C=C2\C(=O)N(c3ccc(I)cc3)C(=O)N=C2O)c2ccccc21	33912051	RNAKYVYIHDRRGN-PDGQHHTCSA-N	499.308	5.163	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N1C1CCCC1	38198094	KEHAKXKCQZKJOZ-HAVVHWLPSA-N	457.530	5.355	10	40	JKCB	
Cc1ccc(/C=C2/SC(N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@@H]3c3ccccc3)=NC2=O)cc1	51330101	WXSSLMSYHIVNMT-RNIBXEDOSA-N	489.644	7.262	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(C(=O)c5ccccc5)cc4)C3=O)n2)cc1	100525033	JSAWHRSWTGSIIM-QBKUVYRMSA-N	495.564	5.925	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1nnc(-c2ccc(Cl)cc2Cl)s1	101114417	PYOPHHUIBPRCPM-LDADJPATSA-N	480.380	6.384	10	40	JKCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1	102607190	DKGROZPCUUFPHV-UQQQWYQISA-N	481.552	5.150	10	40	JKCB	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1	108234840	SCZNVJOLXAWFGM-QGOAFFKASA-N	469.324	5.042	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	208306170	BIWYNTMCSBFLRV-YSUUHWHMSA-N	498.048	6.127	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172583	BIBBEDNQGCLRPF-IZZNHLLZSA-N	499.596	5.583	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224236599	APWJVSGGTDVBEK-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224438705	ZRNGPBLKFFNCOU-RPBOFIJWSA-N	457.578	5.509	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1	408756744	XAVLOYMJSYMHFI-CPNJWEJPSA-N	465.361	6.748	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408768657	ZUKDHVKUNHVTBZ-RCCKNPSSSA-N	475.589	5.362	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S	408791060	VKORFJNCMWYRJC-JJIBRWJFSA-N	485.653	5.785	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)c1C	408801148	RQNUWJFFSFJKJV-KOEQRZSOSA-N	490.559	6.010	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)c1	408802914	JDOKJTRHBBKKMW-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S	409167462	MAAMGAUSKOIJNE-XMHGGMMESA-N	480.998	5.331	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)cc1	409242413	USDNPRBTJJFBAL-ZVHZXABRSA-N	489.597	5.395	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c(C)c1	409246635	JYIFKWBIEDPJIV-MFKUBSTISA-N	485.653	5.974	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	409333715	VIUGDDLTUWJNMN-BOPFTXTBSA-N	480.405	5.271	10	40	JKCB	
COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)o1	1411700	CFRWCIICFNIITA-XDHOZWIPSA-N	470.959	5.155	10	40	JKCB	
CCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2Br)c(Br)c1	1583086	SQFUPJYIKFVEBA-UHFFFAOYSA-N	468.277	6.495	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	2369278	AUSRIVMYUWEDRQ-KGENOOAVSA-N	475.907	5.549	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc2ccccc12	8714035	ZIMADYLAXXNKLP-QNGOZBTKSA-N	467.015	6.113	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	9193089	DAFAJPMHGFATMC-LXROFQDBSA-N	467.598	5.687	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C	9293401	ZWOPKRPTJLCKBX-JMSPFPEISA-N	453.571	5.324	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1	9312901	IQEUBDKBUWKIAF-IWIPYMOSSA-N	467.500	5.898	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c1	9345063	GTDQEMWVISLDCV-JCMHNJIXSA-N	463.628	5.938	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	9667883	ILTQYXJWJDGBST-CPNJWEJPSA-N	463.896	5.303	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)c1	19793133	UEEFFHNBVYNBKL-UHFFFAOYSA-N	483.486	6.559	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1	59136234	XRVBIDAYAIWDCW-CJLVFECKSA-N	490.604	5.751	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	96936281	MCXILAOXJBLKTP-ZTPSMGMTSA-N	451.972	6.071	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)c1	208731150	ADTCYELKNMOCDP-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222878566	GZLDUDDYPUUWQE-YADHBBJMSA-N	459.446	6.178	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900129	XIITZLFOIRUVGI-WDYNHAJCSA-N	495.696	6.349	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1	224384713	BEDBQKRUODUFAF-CSYCHJTNSA-N	471.601	5.473	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438583	PMCIRNJPVXBSAH-XTEPFMGCSA-N	484.644	6.676	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1cccc2ccccc12	224635067	PHHUPVFOCBYCDC-UHFFFAOYSA-N	496.607	5.789	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408754670	GRFSMVVNTFQKSZ-OQKWZONESA-N	489.015	6.675	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1C	408804613	BCPNFPMBOQSBGK-LXOBUFOJSA-N	498.716	7.765	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2Cc2ccccc2Cl)C1=O	408878880	DEVJBYDHNJNCMH-DEDYPNTBSA-N	465.336	5.559	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl	408885870	GEVNVPXXZVEHCJ-UYRXBGFRSA-N	483.376	5.404	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1	409180797	RRCRTTNFRSQVLP-OZWIOFLCSA-N	497.982	7.602	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC1=S)c1ccc(Cl)cc1	409328547	XJVHDBMOWNWFIZ-NSIKDUERSA-N	488.761	5.101	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	409338698	ONUSYUMCGDRIAD-YBFXNURJSA-N	489.496	6.378	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC	409345381	LMPQNJARUBAQKY-NVNXTCNLSA-N	454.342	5.011	10	40	JKCB	
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc2c(c1)OCO2	409351203	ZELYJSZXHQMUOG-ZWSORDCHSA-N	459.346	5.065	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1	8986305	AOHIHYZGXXIOGH-MYYYXRDXSA-N	454.620	6.712	10	40	JKCB	
CCOC(=O)c1c(C)sc(C(c2cccs2)c2sc(C)c(C(=O)OCC)c2O)c1O	12413794	KXCMYLDOIHUODP-UHFFFAOYSA-N	466.602	5.433	10	40	JKCB	
O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	12565519	UBDHGZYZUPKPIK-UHFFFAOYSA-N	460.533	5.103	10	40	JKCB	
COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1ccccc1	13371319	ZSTGYXIBFQKZAK-MTJSOVHGSA-N	477.354	6.326	10	40	JKCB	
CN(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1	13750273	KRJYEFZBUAXKED-VJBWXMMDSA-N	482.367	5.111	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1ccc(Br)cc1)c1ccc(C)cc1	13940622	XIGQOGWPXFERNK-TXLZIYAKSA-N	457.371	6.647	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	27549241	FCUFAISHLDRCHC-VKPUNFQASA-N	457.534	5.095	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCn2cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1	33457407	XPPLGOUJOMNAKO-ROJSNHKDSA-N	471.586	5.483	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)S2)c(OC)c1	35042658	JYTJIGHIYWEQCV-ZVHZXABRSA-N	460.555	5.674	10	40	JKCB	
O=C1/C(=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)SC(=S)N1Cc1ccccc1	35079380	MTIZOBXTKGIBAK-KGENOOAVSA-N	462.552	5.293	10	40	JKCB	
COC(=O)CN1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc(N(C)C)cc1	49591197	YIHXJVDDCSMCDC-LOSJGSFVSA-N	480.406	5.204	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58849157	VUXFYJWCACXVHN-LZCXECNNSA-N	491.569	5.621	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1F	100233071	LMOWYURERLDLAP-UDWIEESQSA-N	495.348	5.982	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224207214	AVFHIEXTCQTIHV-LMSSTIIKSA-N	480.681	6.900	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1C	224269760	PGTFUGKSFORMFC-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224337599	KWASTJRASAZMMF-SXOMAYOGSA-N	496.636	5.927	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1Br	260784227	VJTKDLHFURSKNM-UJUVCNOISA-N	467.436	5.841	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)cc1	408527544	DWWKDNQCGAKDOK-STZFKDTASA-N	497.066	6.346	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1ccc(Br)cc1	408762461	KMQFUDVQDMSCGQ-LFVJCYFKSA-N	471.329	6.576	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408764186	QKVHCCJLVBXFAS-CPNJWEJPSA-N	467.352	7.182	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1	408816179	JBPCYPHAQOXIPE-ZVHZXABRSA-N	483.568	5.277	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Cl)C2=O)cc1Br	408983738	CELQGPBGLUOKMW-XMHGGMMESA-N	480.789	6.973	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1	408984336	IUGLJIJQQNQDML-UUYOSTAYSA-N	461.949	5.339	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	408985805	NJEJSABBWFJRLV-LTGZKZEYSA-N	489.413	6.385	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1Br	409130753	UQEPKVJBMXPLIQ-STZFKDTASA-N	484.440	6.461	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C	409237700	LAECRPCIDZAMMT-WSDLNYQXSA-N	477.561	5.525	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O	409338914	QRAQEAUPRBVGCF-FYJGNVAPSA-N	484.440	6.795	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3c(O[C@@H](C)CC)ccc4ccccc34)C(=O)NC2=S)cc1	409369920	HPHHCPIHMLZZRS-CSUZIONRSA-N	458.583	5.411	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	409399587	JZJAGXYLGVDXOH-MOSHPQCFSA-N	483.749	5.143	10	40	JKCB	
CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc12	1747689	KGOJCYQIVGMKDI-UHFFFAOYSA-N	460.279	6.333	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	8431427	RUPJLEKJZUBHKS-GJGCTLMMSA-N	481.771	8.066	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	8821466	CIFNEOLJNYTUCD-DEDYPNTBSA-N	470.413	6.677	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9307568	PVHMDTJTEAOPDQ-VZHDZHPESA-N	471.561	5.518	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1Cl	13750420	UYFMUDKWSLYGMD-BKUYFWCQSA-N	484.046	6.201	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4cc(C)ccc4C(C)C)c4ccccc34)C(=O)N=C2S1	13806050	AMDRNTFWNXLPLE-YLOHPIGASA-N	484.625	6.319	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1	13940311	PUGFUVGMYMHQQU-WOJGMQOQSA-N	451.822	5.323	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)cc(C)c1	33390918	BNYFDTWTIFDAKP-MOSHPQCFSA-N	478.035	5.644	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(Nc3ccccc3)=NC2=O)c1	33599651	SKDCYQNDPZOQQT-HMAPJEAMSA-N	477.973	5.748	10	40	JKCB	
O=C1/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	40221170	YGSPQEQACWLBEB-PDGQHHTCSA-N	495.969	5.135	10	40	JKCB	
COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2O)cc1OC	72332577	FRURLUHNWYGLDT-YADARESESA-N	471.340	5.959	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1	106688114	PCLKSSSFXBPDKS-JAIQZWGSSA-N	453.903	5.843	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	106693369	MSAINCBVKINYCU-XYGWBWBKSA-N	491.588	5.306	10	40	JKCB	
O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1ccc(Cl)cc1	113830489	CEWKVHDXIUCCFF-NTEUORMPSA-N	457.745	5.350	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224206310	JGWJMPXDFROVKD-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1	408526762	CIOCDFCLMATEJP-QNGOZBTKSA-N	481.394	5.102	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1	408576091	PRQCETIPZJJLJR-HMAPJEAMSA-N	478.570	5.245	10	40	JKCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1	408739643	YGUPMMUVUANOLN-XDJHFCHBSA-N	460.327	5.707	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(Br)c2)cc1	408759055	XCFCYNOFHMKKSJ-FYJGNVAPSA-N	496.202	6.355	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1	408773721	IVVWKQXTAUUWGA-WOJGMQOQSA-N	454.313	5.067	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(Cc2cc(C)cc(C)c2)c1	408885333	ZMTJYCPFANAHFF-PXLXIMEGSA-N	474.944	5.223	10	40	JKCB	
O=C1/C(=C\c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)SC(=S)N1c1ccccc1	408901310	DBRQUTQTZROERX-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1Cl	408941520	WUXCCRFRDRTTBV-NDENLUEZSA-N	481.335	5.547	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1	408984315	GOFLWPIDOYBVIH-PXLXIMEGSA-N	491.499	5.933	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)c2c1	409052623	LEIKNCOTRIQXEK-IWIPYMOSSA-N	463.624	6.347	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccc(F)cc1	409143918	WTPKIEFZQBIBEC-QFIPXVFZSA-N	455.551	5.515	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1	409198762	KQACOMMPNMCWMY-BKUYFWCQSA-N	485.030	5.883	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c2ccccc2N1c1ccccc1	409206668	ZVJYWWBJTUEADW-NLRVBDNBSA-N	460.964	7.562	10	40	JKCB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2)cc1	409209608	GTNDBZQJXIZYKE-PXLXIMEGSA-N	494.638	5.324	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl	409337183	RGZUETNPUCKZPV-CIAFOILYSA-N	471.771	7.032	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC	409349594	VLUIERICDSEDLS-VCHYOVAHSA-N	464.406	5.258	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc2ccccc12	409350521	YIAJLMCGFLMLAJ-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1OC	1297349	OKFAZESVILCDHM-BOPFTXTBSA-N	450.379	5.262	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc(C)c1Cl	1916156	YPTCMRFQMAJHPA-UHFFFAOYSA-N	495.925	6.812	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)SC1=S	2308794	QCTWXZINQSXLDZ-JCMHNJIXSA-N	479.627	5.174	10	40	JKCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	8768129	CPYSTYJMMMCSAZ-KQWOTGNYSA-N	496.702	5.019	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=S	8821554	VNONQJLHDCIOLB-FYWRMAATSA-N	474.442	5.839	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)ccc1OCc1ccccc1Cl	8821772	WKIWWCXEAALQNF-XKZIYDEJSA-N	494.956	5.708	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	9232530	JUNHUMHYPOLIRP-WSDLNYQXSA-N	486.445	7.287	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2OC)cc1OC	13039624	CHFLZLHRJATYTK-UCQKPKSFSA-N	490.537	5.014	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)Cc4c(F)cccc4Cl)n3)c2C)cc1	13133893	UMFNYSLAGNVCJO-UHFFFAOYSA-N	497.979	5.978	10	40	JKCB	
Cc1cccc(C)c1OCCn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21	13688272	LHNNPQUGPUSPAM-HAHDFKILSA-N	483.524	5.432	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1oc2ccccc2c1C	13815471	IKYXPUNBUBWVCY-XDHOZWIPSA-N	453.541	5.190	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	14009561	SZGANVUDAMZZKP-ITYLOYPMSA-N	484.596	5.326	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	34744179	DLNPBABQIUJYBB-HAHDFKILSA-N	496.654	5.555	10	40	JKCB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	103748718	RWXHIBMUHKOKNZ-OVCLIPMQSA-N	457.098	5.404	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1	208699419	BNFJMCLVRKUERY-WQRHYEAKSA-N	462.379	6.668	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1O	225045151	MFYMHNNNUFYEKK-IZLXSDGUSA-N	497.668	5.669	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21	260924196	RYVFFLDGBQGHAH-RPBOFIJWSA-N	475.061	6.544	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(C(C)(C)C)c1O	408534736	UKHYQCHSVKXGIO-CPNJWEJPSA-N	470.616	6.301	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4C)c3)SC2=S)cc1	408574667	BGRNOSUDUNUSDK-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)SC1=S	408724510	FENLGKLEVXPDBX-MFOYZWKCSA-N	468.383	5.442	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1	408737807	HNDSIFGFKHIYPX-HMMYKYKNSA-N	458.344	7.725	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1	408764568	UQJZAGJIMVGEQH-SFQUDFHCSA-N	499.842	7.213	10	40	JKCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408849985	CGSSXAOSOWKFHS-RGVLZGJSSA-N	485.298	5.378	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2cc(C)cc(C)c2)c1	408882010	MUIXXHVBHJWJRV-YDZHTSKRSA-N	490.943	5.211	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)c1	408900799	VDQBQSRLXOPVEA-WGOQTCKBSA-N	494.522	5.841	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc2ccccc12	409188914	KKUPMPKPQHEXHW-BUVRLJJBSA-N	458.970	7.142	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)CC	409340177	RRXJGQQQNSKBRD-DABDWFRDSA-N	458.561	5.577	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	6475531	SUGFACQHZYBSJZ-CLCZQPDDSA-N	462.505	6.794	10	40	JKCB	
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2ccc(C)c(C)c2)c1C	9111785	ALPQTPFWOLVORQ-UHFFFAOYSA-N	493.677	5.200	10	40	JKCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	9282567	QSPDQQGKFJAHQB-UYEXWIMWSA-N	464.403	5.341	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN21	9461628	RMYVOXOQERDGFV-GVAUOCQISA-N	462.549	5.224	10	40	JKCB	
CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nn1-c1ccccc1	13305649	NGPLUYTYBPUWIR-LVTNMKICSA-N	475.596	7.715	10	40	JKCB	
C[C@H]1CCCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CCc2ccccc2)C1	13562248	BTVKPQQUPZTAFH-IBGZPJMESA-N	454.039	5.797	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1	13942541	DYQXRAWZJASRTA-QLSUFNALSA-N	498.992	5.144	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12	16001877	XYKKAQNIGLYBJI-KKUQBAQOSA-N	451.497	5.157	10	40	JKCB	
CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)CC1	19791839	SKWPCHZOIFTJHT-UHFFFAOYSA-N	498.501	5.600	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)c1cccc([N+](=O)[O-])c1	26965684	SVKFEGJEFOJCBQ-JCMHNJIXSA-N	490.562	5.258	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1	58846772	CDPUDZAUTGLXKW-CLCZQPDDSA-N	479.045	7.091	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	108226757	OORWFVYLDJKVTO-IMRQLAEWSA-N	463.537	5.135	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1F	223895243	ZZIKWCIGTRJSLY-RRPNLBNLSA-N	485.632	5.871	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(F)c1	225043805	CMSGJHVNHSVGTB-IZLXSDGUSA-N	499.659	6.103	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1	408575458	OKDZMPKGGITPDF-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1C1CCCCC1	408740616	HLMZJBMVQPIZOP-UDWIEESQSA-N	486.435	5.204	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2sc3ccccc3c2Cl)c1	408757674	BMQXQGOOSDBCFG-XSFVSMFZSA-N	472.953	6.396	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(F)cc1	408775583	IIVUDZIRNMUEAE-OEAKJJBVSA-N	488.515	5.087	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	408811723	LWBXJCWDXHPJSA-KOEQRZSOSA-N	492.531	5.484	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1	408934600	FGONJDLXDBSKNI-IMRQLAEWSA-N	492.531	5.484	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)SC1=S	409005479	DZPIKDMHXARMMF-BKUYFWCQSA-N	484.440	6.402	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1	409089219	YVSDGIDQAVRVBK-OFWBYEQRSA-N	498.557	7.392	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S	409107598	SAKWOTKNDOMBMS-UNOMPAQXSA-N	484.408	5.541	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1	409129241	FVVPNKMVOPRZKW-XDHOZWIPSA-N	450.947	5.357	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)c(C)c1	409340306	UQBTYCGKZHBCEK-ODLFYWEKSA-N	460.407	7.276	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1	409343040	FUQIQPRREGFFMM-PXLXIMEGSA-N	482.627	5.247	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	8983703	AZCAMKFORVMEMS-RGVLZGJSSA-N	476.520	6.658	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	9076124	BLHJMKZBHBWGBH-SAHIIKMKSA-N	455.558	5.582	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	9282652	VAPXYTICAKOESX-JIOHGKINSA-N	495.652	6.584	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	9293382	WESWVCRBMQKJJV-QRPNVLAJSA-N	469.614	6.053	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2OC)cc1	9296558	IUWJUGVRSTYHEW-ZXOFLVKFSA-N	478.035	5.809	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)SC1=S	9805420	QNCQLSDWEIVQGE-STZFKDTASA-N	481.551	5.312	10	40	JKCB	
Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	13025253	UOANAEXQPYYQHS-SANMLTNESA-N	459.590	5.409	10	40	JKCB	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCN4C(=O)[C@H]5CCCC[C@@H]5C4=O)n3)c2C)cc1	13039686	KJLKEHYEXAXXSA-SFTDATJTSA-N	490.629	5.030	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	26580602	XESILPIOOHAHMN-AABCQZNVSA-N	457.617	5.498	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c(OC)c1	27229342	YVVGHZBSVKBINX-FRKPEAEDSA-N	459.898	5.782	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	41082515	DUMHYGPOGDIIBM-MFTSTXPMSA-N	495.963	5.264	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	41083052	COYHUSGCFCVTFW-OSZNWEDFSA-N	453.999	5.947	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	59137197	AYHAZPLRAJGGGJ-VCHYOVAHSA-N	488.371	6.212	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1	83302485	UCLQZZZKHMQESW-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CC(C)(C)CC(O)=C32)cc1	104144361	WJXCVVKLVHIJNP-NDEPHWFRSA-N	465.597	6.855	10	40	JKCB	
Cc1ccccc1/N=N\c1ccc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(C)c1	104389113	FTJRRCJGWNWSIS-FNBANUKLSA-N	460.515	7.240	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223230572	YNZXOZURZRZHNQ-AZGAKELHSA-N	461.679	5.030	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc21	223490444	MQMBJVXQEGZCJX-HYARGMPZSA-N	457.574	5.380	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171406	NGJGQNBYZQDICI-UIOOFZCWSA-N	499.596	5.583	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224204633	CIWYLQHGCJZNIL-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1C	224436066	FOURJLBNXDMHKR-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224463131	UWDWUXZMUNMUDD-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	225018173	COFCZHUQUANIGC-DNQXCXABSA-N	485.484	6.711	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1	408577851	UVFSOOQGTCIXOC-XKZIYDEJSA-N	484.643	5.329	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1ccccc1F	408877032	SJJWKHINZIUKRV-CIAFOILYSA-N	492.934	5.443	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409029826	CLOILCAUIZRYKT-DAVUEJTQSA-N	488.840	6.028	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21	409160907	XWWJYYYLFBIJJM-JQYIIUTOSA-N	462.456	7.876	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)c1	409236974	HLNVYWWUVYBSCM-WSDLNYQXSA-N	464.363	5.258	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(O)=NC(=S)N1c1ccccc1F	631974	HUTRLQYCNYVJEP-UYRXBGFRSA-N	489.959	6.154	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S	2847835	AEKXZESPLINAFJ-ZDLGFXPLSA-N	454.400	5.802	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1cccc2-c1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)co1	8432938	ZNJRCXUVCNWUIS-OEAKJJBVSA-N	493.565	6.128	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)c(OC)c1	8821311	MLDWOKQNUMEXBQ-OYKKKHCWSA-N	477.607	5.997	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	8821435	UYGVBILVRQYGOW-UDWIEESQSA-N	460.407	7.222	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C	9282788	RTUXHIRPIJSOOK-KQHQIWRUSA-N	474.977	5.118	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2Br)C1=O)=C\c1ccccc1	9444425	HUNXZDZPSMLBQK-UJUKKVGJSA-N	473.417	5.235	10	40	JKCB	
CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	13898386	DXPFSVPWAWFCDS-PLRJNAJWSA-N	489.662	6.848	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3cc(Cl)ccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	14009944	MQMXFFZUXBYLTM-OYKKKHCWSA-N	496.438	6.791	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(N3CCN(c4ccc(Cl)cc4)CC3)=NC2=O)cc1	17044737	IEXFWVDSKQMENV-XLNRJJMWSA-N	456.011	5.311	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccccc2-c2ccccc2)cc1	20289094	FTLSJSJQHBDRLK-HFTWOUSFSA-N	459.549	6.499	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCOc2c(/C=C3\SC(=S)N(C)C3=O)cccc2OC)cc1	33430272	CKJMGYORRGXBHA-DBZAVIBRSA-N	471.644	5.888	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3cccc(OC)c3)c(OC)c2)SC1=S	33430384	LKLIWGYLOIQYNR-MOSHPQCFSA-N	494.034	5.426	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	34799355	NMVUJCBDRMWBMJ-NLPAIMTQSA-N	460.390	5.820	10	40	JKCB	
Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)s1	104090885	XFFJKYLOCCOVKO-LBXGSASVSA-N	494.566	5.038	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)o1	106721087	UVUCYBBSHOHJLJ-JMIUGGIZSA-N	488.348	6.497	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101497	NPNWLCQIZSEFFX-RRPNLBNLSA-N	458.675	6.411	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223757810	KVHXZBBUTDYVKE-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223802344	MDUOSDKYNPMGDC-WDYNHAJCSA-N	496.680	6.682	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	224170628	CKRSPAAOVMVJKK-FTJBHMTQSA-N	468.582	5.395	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224305339	ZLJGDJGATPKZJJ-XRKRLSELSA-N	480.681	6.900	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431115	VXJSWLXCVISJPV-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(=O)O	224434831	BRJQNRJMWBZUMU-LOSJGSFVSA-N	486.572	5.504	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1	224804611	WUCCENROAWEDGV-VSGBNLITSA-N	498.652	5.992	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(C)c1	408572079	FEPYAYKWAXCZFK-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1	408573840	KYEAMMGLDNKQBQ-XKZIYDEJSA-N	494.569	5.258	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl	408586320	MUUVDUGRSKVAGL-SXGWCWSVSA-N	466.799	5.144	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1	408804416	FSXUSQSMKOIOQD-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N(c2ccccc2)C1=S	409021464	JGFJVZPTFUPTTI-XMHGGMMESA-N	494.956	5.252	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1C1CCCCC1	409231600	KFONIOCCHXMRCD-UDWIEESQSA-N	475.536	5.460	10	40	JKCB	
Oc1ccc(/N=N\c2cccc(C(F)(F)F)c2)cc1-c1nc(O)c2c3c(sc2n1)CCCC3	409253619	UTPLLOBPHBKVPK-FLWNBWAVSA-N	470.476	7.083	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	409330271	KMHVZBAAPQNGOK-HZHRSRAPSA-N	481.042	6.391	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1	8426866	FTTKKZWUICANID-YBFXNURJSA-N	466.459	6.110	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	9188492	HWMJIMWWKIGWFM-QNGOZBTKSA-N	469.672	6.792	10	40	JKCB	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)ccc1Cl	9763805	BPUOMXAUWVDETM-JCGVRSQUSA-N	452.679	5.679	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CCOc3ccc(C)cc3)C2=O)cc1	13550663	QHPNSYORODDNQJ-HBTCSRNFSA-N	471.557	5.055	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(C)c4)C(=S)N=C3O)c2C)c1	13809856	FPSIBKJWMNXOND-HAHDFKILSA-N	487.581	5.251	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	13941836	QFQXZZPDZFCBIQ-WOJGMQOQSA-N	475.469	6.069	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C1=O	14132682	YZWMVQFRCYOVJM-CPNJWEJPSA-N	491.341	5.003	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	18173594	XTRRGNSKQSRNBD-PNCHPQGNSA-N	454.784	7.704	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc(C)c1Cl	19793138	NDDUOPIFEWMXSJ-UHFFFAOYSA-N	496.913	5.327	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3[nH]c4ccccc4c3NC(=O)c3ccc(Cl)cc3)CC2)cc1	21361883	XHLQGJAHNKTGAN-UHFFFAOYSA-N	488.975	5.045	10	40	JKCB	
CCc1ccc(/C(O)=C(/N=N/c2ccc([N+](=O)[O-])cc2)Sc2nnc(-c3cccnc3)o2)cc1	27526066	PXIPRCFFSDUKAN-UNGCUCNDSA-N	474.502	6.363	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	33924096	ZQIADEQDMOCFHI-RRABYFSWSA-N	487.560	5.240	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	33927636	UMCRPGLXQIPRFR-RGVLZGJSSA-N	467.348	6.871	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1	41108269	POQCXSQSBHPVQE-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	102260053	QDPCATIORLNJPG-HXHBTQRASA-N	489.678	6.220	10	40	JKCB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C(=O)N1c1cccc(Cl)c1	102765168	DWROTSDKPAMJAG-IRFCIJBXSA-N	489.742	5.404	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2C)cc1	106745537	AFKMQMTXPVSPIV-XKZIYDEJSA-N	463.515	5.247	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cccc2ccccc12	106757182	OGBQFUUNWZKEKT-JLPGSUDCSA-N	473.598	5.296	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O	113830375	VGLOWGLRACVPDW-RIYZIHGNSA-N	491.270	5.754	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224341662	FGGUQYPYWBMHRV-KAYWLYCHSA-N	467.642	5.932	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1	224855938	YEAFLHVOZRQEHQ-FTJBHMTQSA-N	470.598	5.375	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260910096	BZNUQMAFAWQGRN-RRPNLBNLSA-N	497.668	5.849	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	260917989	KJZAAYZLJLKODH-LOSJGSFVSA-N	493.051	6.683	10	40	JKCB	
COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)O)o2)c1	408631766	GGKDNCUDEPLUQZ-YDZHTSKRSA-N	491.569	5.688	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1	408751875	DGEMLOQEMHXNLS-DEDYPNTBSA-N	453.723	5.643	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)cc3C)C2=O)cc1OC	408755574	OOTNFXPOKCZOIP-DEDYPNTBSA-N	475.928	5.835	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4OC)c3C)S2)cc1	408781536	BKBWDGJQSNZZFT-VVNKCDPRSA-N	478.574	5.173	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408791114	UGGFTIOSFGYPAA-HZHRSRAPSA-N	492.044	5.876	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)c1C	408796548	AKSJHPKMXKMBRU-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC	408845726	RHTDJSUPTUQZLY-DEDYPNTBSA-N	497.776	5.954	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(Br)cc2)cc1	408846076	XJSSEQAFXRRELC-XQNSMLJCSA-N	476.374	5.358	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Br)c1	408902759	RBOBESSCLIURMR-CIAFOILYSA-N	495.804	6.796	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409079094	JTBMQPLIAUEZDD-WSLMLHKMSA-N	498.428	6.092	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc21	409115156	IUUJPOHCZGXBCR-JCMHNJIXSA-N	461.392	7.294	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccc1Cl	409124113	JEPMFUHRIYFPMX-XQNSMLJCSA-N	450.991	6.417	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1O	409329096	COHTWNIBBSNJHI-OVCLIPMQSA-N	459.898	5.869	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)cc1C	409330129	JCKOOXSHACYJLH-QQXSKIMKSA-N	468.647	7.021	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCc1ccccc1	409338579	MLSJCQMIUKKRIV-IMRQLAEWSA-N	497.641	7.223	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)nc4sc5c(c34)CCCC5)c2C)cc1	1746366	NYIXCZYDLZFDEU-UHFFFAOYSA-N	461.656	6.569	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)cc1Cl	1840375	WRTZBOSXACPQKM-MOSHPQCFSA-N	470.019	6.272	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1Cl	2262716	NVWRULXYPMMMMW-MOSHPQCFSA-N	470.019	5.813	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(Cl)cc1	4209201	UCFPQNDHRJWAGT-FYJGNVAPSA-N	450.853	5.565	10	40	JKCB	
O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccccc2)s1	12032226	VCZXDNQDTHGBAG-WQRHYEAKSA-N	486.043	5.227	10	40	JKCB	
Cc1ccc(C2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(Br)cc4)cc3)S2)cc1	13476692	UUMHZEPYRSWUMT-KGENOOAVSA-N	478.367	6.038	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c(C)c1	16284806	UXRVDWCQTKZYNZ-NDENLUEZSA-N	470.413	6.732	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3O)C2=O)cc1	16691401	FSRSWBWNOOSRSL-QGOAFFKASA-N	452.337	6.569	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1	16701179	CPDYRWOFQKOCDQ-UCQKPKSFSA-N	487.581	5.746	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc12	19793128	DBAQJLLZBWUBQK-UHFFFAOYSA-N	463.496	6.549	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1	26687539	QZYMWBWXIDBZTG-IMRQLAEWSA-N	476.580	6.441	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1Cl	27519414	ZZZBALVYAFMAKR-XMHGGMMESA-N	492.789	8.378	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	33366159	IDBDENVJAOXIGS-GDJNFKMVSA-N	459.600	5.577	10	40	JKCB	
Cc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	41083288	COUJQXTXQNJPMM-JJYAYZJSSA-N	485.613	5.612	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(Cl)c3)C(=O)N=C2S1	41108310	VZGXEKVXGBVSIS-VZKFJVGXSA-N	475.961	5.137	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(CC)C2=O)cc1	41108598	ILDAJGPWKOYHMW-GRVPHDJPSA-N	486.615	5.787	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2Cc2ccccc2)cc1	44086288	MBZIPOZIMJHXEY-UHFFFAOYSA-N	455.583	5.288	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1Cl	58822114	FJTOBRVEEATOFM-UDWIEESQSA-N	467.352	6.387	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	58848115	YNYLDUMHCJBINX-XXAUWVGASA-N	479.045	6.893	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223971977	CWAZYZCQUAIBCT-RRPNLBNLSA-N	481.625	5.625	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224235318	QPAANWBXRIZQTE-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Cl	224399791	FLSBXMWVDFAHAO-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)S1	408740901	DXAFIQFEMMLNOH-LPYMAVHISA-N	492.582	5.260	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccc(Br)cc2)cc1	408759058	XDJNLWGKJNFQSW-KGENOOAVSA-N	493.357	5.309	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)cc1	408781885	FNAVUGGKJXSUAD-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C	408800832	PQTSRUOWMPZQMW-WGOQTCKBSA-N	492.531	5.408	10	40	JKCB	
COc1cc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408864479	WBYHKHGWYDFLRQ-VHSZZVNMSA-N	490.441	7.480	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408977267	HWZVBTPFHFXDCA-HMAPJEAMSA-N	494.374	6.450	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc5ccccc45)C3=O)o2)cc1	408985036	KPZAFYFVMQATQD-LHLOQNFPSA-N	497.550	7.358	10	40	JKCB	
CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc(Cl)c1	409005619	GJZOBKUVXXDCOY-YVLHZVERSA-N	495.826	5.158	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)N(c2ccc(Cl)cc2)C1=S	409019731	KIKBPUPGNZUDHU-LICLKQGHSA-N	493.412	5.353	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1	409047162	NENXBBUNWZVHOK-CIAFOILYSA-N	455.316	6.518	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S	409047805	UXOOLRWUCKFSEL-ODLFYWEKSA-N	462.434	5.885	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1cccc2ccccc12	409085651	CMCHPMYNENYFRG-QEMKNDADSA-N	491.634	5.808	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)C	409181971	HDYOPYVHWZEJRV-VXLYETTFSA-N	451.972	6.071	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	409339908	ZQVFCECJQYKUEE-XKZIYDEJSA-N	480.567	6.276	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)SC1=S	409377433	HLJVPCLHAGXURL-MFOYZWKCSA-N	488.845	6.456	10	40	JKCB	
COc1ccc(-c2[nH]c(-c3ccc(N4CCCCC4)cc3)nc2-c2oc(C)cc(=O)c2O)cc1	1547203748	VAYJSHNHFHSZKX-UHFFFAOYSA-N	457.530	5.377	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1	661077	RFJHDQHKBOYYMP-SFQUDFHCSA-N	457.001	5.384	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1	2059051	DRKTYTGYDWWRBS-XLNRJJMWSA-N	482.377	7.489	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cc3ccccc3c3ccccc23)C(=O)N(CCc2ccccc2)C1=O	2178746	FDLPEIZRWZGOGL-HFTWOUSFSA-N	476.576	6.210	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(OC)cc1)N1CCCCC1)c(O)c1ccccc12	2667764	LLPZSOPTOVLDIY-AREMUKBSSA-N	473.569	6.361	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	6475534	SUGFACQHZYBSJZ-DPZBCOQUSA-N	462.505	6.794	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(OC)cc3)C2=O)cc1	8819839	DXVPZVAQRVTZIS-PGMHBOJBSA-N	470.616	5.104	10	40	JKCB	
CCc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	8993742	FRBACQIGSKVLIY-XHPQRKPJSA-N	489.662	6.498	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)o2)cc1Cl	9159458	NZAZZCUSIUXVDQ-FYJHPUIUSA-N	495.391	6.424	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CCOc3cccc(C)c3)C2=O)cc1	9166273	JFKWYPGZMMWJGP-VXCWRXKNSA-N	471.557	5.055	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c1C	10112172	JPJKEGWNEGOTHC-UHFFFAOYSA-N	498.048	5.288	10	40	JKCB	
Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	13895649	NVNCQXDZSZOKML-KQWNVCNZSA-N	482.026	6.512	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N12	13940241	WICMSDAKNPMNBH-XTLWELDGSA-N	471.969	6.223	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c3ccccc32)cc1	27549642	QPRLISDOHLEGEQ-XVCGDLFISA-N	485.613	5.694	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12	30819139	JVFAURPKSBQBLJ-ACKDDNJSSA-N	481.364	6.115	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1	41077938	SCBIQUCAWLLFDS-XDHOZWIPSA-N	452.919	5.200	10	40	JKCB	
CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1	102650243	NREAASQEXRGIGD-NDEPHWFRSA-N	496.680	7.416	10	40	JKCB	
COc1ccc(C(=O)c2ccc(/N=[N+](/[O-])c3ccc(C(=O)c4ccc(OC)cc4)cc3)cc2)cc1	104257863	YUHAZNCFYKSPDM-QVIHXGFCSA-N	466.493	6.092	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223315461	LAZGFGXSKDSQKL-LNBJVWSJSA-N	474.674	5.511	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1F	224899236	IIIARRQGQLVKPI-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225049396	SBHPYBOZFZPDPU-IZLXSDGUSA-N	496.684	5.667	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)C2=O)cc1	408779769	KDERCPCMSZCQKT-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408866475	GWIVGUAZYZDKDS-CIAFOILYSA-N	478.907	5.053	10	40	JKCB	
COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(OCc2cccc3ccccc23)c1	408867544	KLCDAQMQKITQNU-HAHDFKILSA-N	496.494	5.233	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	408884079	SORMKURNXPRROY-NHDPSOOVSA-N	483.952	5.562	10	40	JKCB	
O=C(Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1	408901484	FVGKIMCXZMDFBD-OEAKJJBVSA-N	487.581	5.825	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409031011	GFOXTPYCYFAFDE-XFFZJAGNSA-N	496.775	5.800	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	1255800	AJLYKCRUGRGNBX-VIZOYTHASA-N	475.806	5.860	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C=C1c1ccccc1	2059083	VHMYIWWFUPBXGH-FXBPSFAMSA-N	498.376	7.189	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1	2214176	BJQOGJDHFSZNRS-HYARGMPZSA-N	453.473	5.644	10	40	JKCB	
CCN(CCO)c1ccc(N2C(=O)N=C(O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)cc1	2250530	XMXVKPZOLGNJED-NLRVBDNBSA-N	479.536	5.318	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2443549	QUVRNKYCHZLDKN-NXCFDTQHSA-N	479.551	5.874	10	40	JKCB	
COc1ccc(OC)c(S(=O)(=O)Nc2cc(Sc3ccccc3)c(O)c3ccccc23)c1	2685407	XRWVMQMLFIRWMU-UHFFFAOYSA-N	467.568	5.515	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	2700654	NFNCRYJJVRVYMC-BHJKQYKASA-N	496.009	5.946	10	40	JKCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	8983426	PEWDBDUCHBVOGH-BWAHOGKJSA-N	475.635	6.244	10	40	JKCB	
CC[C@H](c1nnc(SCC(=O)c2cc(C)n(-c3ccccn3)c2C)n1Cc1ccccc1)N(C)C	9605617	BWRSLTAQDQAINJ-HSZRJFAPSA-N	488.661	5.117	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	20353507	DCXHUDGOYLHMAO-MAARLIENSA-N	466.622	5.059	10	40	JKCB	biogenic
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)cc1	32109449	CJSLYQXIAFSLIH-HVFYXHJKSA-N	476.558	5.323	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2O)cc1OC	33417529	WDVOJYNZMRIVHX-MOSHPQCFSA-N	492.915	5.443	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1	58849961	OTHOHWPIXLHOLI-SGIRGMQISA-N	461.543	5.531	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)c1	59104936	VAUJLFBUPDLBNL-XQNSMLJCSA-N	486.524	5.570	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(Oc5ccccc5)cc4)C3=O)n2)cc1	100687237	QTKTUXBHNJOJJC-USTXVIIHSA-N	483.553	6.486	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc2ccccc12	223306079	YEWOAUXNEKHFSW-XDAJTCOGSA-N	482.653	5.794	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c(C)c1	223350808	SDTUTXNYHIJPSQ-XNMGPUDCSA-N	470.642	6.180	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223389001	JKAPDOUNMFNNJP-NSOVKSMOSA-N	466.654	6.279	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c(C)c1	223560602	ATNZSBQUTWNLEC-VZMFNRANSA-N	475.658	5.635	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223758715	WNPBNJXRTKFOQK-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223764159	HWHNDSKOZCUJBF-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224308218	WHHUMSQKXLGHMB-SVBPBHIXSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(C(=O)O)cc1	224435095	MCIKUSYWBOKGCK-JWQCQUIFSA-N	486.572	5.504	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C	224566478	KPNHXPVLZBHVQY-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1CSc1ccc(Cl)cc1	224678216	SILUIWCFTQAAGM-UHFFFAOYSA-N	497.060	6.002	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C	408578838	ZPLPSCPXBDUHGM-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408761963	IUDTZMQNGBUTNI-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	408856827	LLIACWBKFYFEIZ-UXBLZVDNSA-N	490.195	5.530	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1cccc(F)c1	408868876	NXPCIXCARZWTIE-LPYMAVHISA-N	478.907	5.135	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O	408895419	KHSYIZANJAYRTO-XDHOZWIPSA-N	464.880	5.033	10	40	JKCB	
O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1	408903289	WZOJJEMMCJYFTG-KGENOOAVSA-N	480.998	5.763	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409051123	AGNPQSYYRCYTBS-JCMHNJIXSA-N	460.961	5.933	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409065145	DLRKKLKVLIVJJS-MOSHPQCFSA-N	494.950	5.772	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)cc1	409330160	JSKYCIIBPOZTBH-CIAFOILYSA-N	472.557	6.827	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc12	1614467815	AVOZBAFBLQKTAN-UTWBDPIXSA-N	462.634	5.236	10	40	JKCB	biogenic
COc1ccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCCC3)cc1	3066020	SUFATRVOSFYOTC-UHFFFAOYSA-N	452.576	5.517	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)N=C2C)c(Br)c(Br)c1OC	8431914	NMOCOIMFHYJXRT-OQLLNIDSSA-N	494.183	5.343	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821385	IMHURDCCFLGASF-KYYPIKSYSA-N	476.019	5.764	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)S2)cc1	8821693	ZWPVJABKKKWGFB-UQQQWYQISA-N	477.029	7.344	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1	9188569	SWWUEXVVLPQUOW-XKZIYDEJSA-N	485.552	6.999	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	9309755	GZCQUEVHNZOHDL-FJVWWGQZSA-N	477.609	6.213	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3N=Cc4ccccc4[C@H]3C23C(=O)c2ccccc2C3=O)cc1	9461090	PSPGAUOQXLYVQZ-NXCFDTQHSA-N	492.575	5.233	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S	16729169	UHHRHZZVBRRSKL-STZFKDTASA-N	467.591	5.688	10	40	JKCB	
CCn1c2ccccc2c2cc(N)c(/N=N/c3ccc(-c4ccc(N)c(OC)c4)cc3OC)cc21	17108743	HBXBREBTABNORK-QNEJGDQOSA-N	465.557	7.078	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)cc1	58850182	IENOSUJYBJWXRF-DFIYOIEZSA-N	495.442	6.385	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1	59104497	ICARPEAZLKNPOU-JCMHNJIXSA-N	473.529	5.398	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59138114	CYWOSZLJTHGUML-MFKUBSTISA-N	499.611	6.244	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc2C(C)=CC1(C)C	208524938	UILFYVOMCZHBLA-OEAKJJBVSA-N	457.574	5.300	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S	208706721	VXXBDHYNFNTPIM-ODLFYWEKSA-N	451.972	5.678	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	260925494	UPNUYXXEFILKDM-LOSJGSFVSA-N	455.631	5.281	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	260927171	YRWJWURSTQTXNP-LOSJGSFVSA-N	491.060	6.249	10	40	JKCB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)c1	408575910	OVOXNEWZFKKZLM-HAHDFKILSA-N	488.634	6.035	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(F)cc1	408744684	ZIOWMXCVSFXJGR-DEDYPNTBSA-N	450.893	6.438	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)S2)cc1	408781784	DRWQZANZHAYXTR-ARLGEPFESA-N	461.587	5.263	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)cc3)C2=O)cc1Cl	408872996	QMLBETIMDDVMEV-DEDYPNTBSA-N	465.336	5.559	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(F)c1	408902127	KNNZWVZOCJGWPD-FYJGNVAPSA-N	485.989	6.473	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408964101	NSWUZPSWAUXNFW-HMAPJEAMSA-N	490.441	5.946	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C	409011220	MWLOBRJENAHSMC-UCQKPKSFSA-N	497.433	5.862	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	409021713	UQXLFWKSEKRJGD-NVNXTCNLSA-N	456.247	5.889	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)ccc1Cl	409212043	PHILSNPGFIRTCX-MOSHPQCFSA-N	476.019	6.311	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(F)c(Cl)c1	409215931	CFOLOMMPKMWSQH-CPSFFCFKSA-N	463.726	6.100	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1	409229813	VIJZPDWCKBXHDB-GZTJUZNOSA-N	455.297	5.537	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1	409235542	BYXSWAFQYMLKLN-WJDWOHSUSA-N	471.365	5.702	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409343028	FTYNOGZHJFBOAX-JJFYIABZSA-N	465.527	5.539	10	40	JKCB	
CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccc2Cl)cc1	1273703	BOMLTZGTIFORHW-UHFFFAOYSA-N	481.961	5.373	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1	2420927	VNDRKTXYLQGOEN-ZRJLEYOISA-N	470.057	5.493	10	40	JKCB	
O=C(c1ccccc1F)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2446885	BDTCVXJRLRWAQT-NHKHRBQYSA-N	499.541	6.142	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1-c1ccc(Br)cc1	2658747	PIUNFGVECRWLBJ-UHFFFAOYSA-N	474.376	5.307	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(C)c1	4758272	FTJRRCJGWNWSIS-PAMTUDGESA-N	460.515	7.240	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9280953	LUMMPNJEWVMHQU-AEDFNUKKSA-N	477.952	5.554	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccco1	12630935	JVUIVKDVAJYERJ-MOSHPQCFSA-N	451.525	5.222	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21	13804607	CRQSQNOHOMFWOU-LNFQTADDSA-N	484.625	6.401	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	16214601	QCSPHEBMGCMHEW-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1	20287616	OMISTZGGHSQTRY-UQQQWYQISA-N	482.565	5.615	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(C)cc12)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288114	XROKATFDGGKHHD-XHPQRKPJSA-N	491.620	5.943	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	26531964	HUUAASMPVVZRKT-LBLWNZBJSA-N	498.718	5.267	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	32974129	WETZBHMHCCLHGY-ZKZDLDBDSA-N	477.998	6.530	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)cc1	33618488	HCTSKBHOQIFYHG-VCOIRPETSA-N	497.624	5.663	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	34701840	OZIQEYSGTDXQQF-NMHFRFNZSA-N	488.016	6.032	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)c1	58849886	AOVKFWHQYRJSFJ-SGIRGMQISA-N	476.554	5.021	10	40	JKCB	
CCCC(=O)N[C@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl	101901202	ULTCHVCSGSYBFV-HWKJUCOASA-N	472.829	6.001	10	40	JKCB	
COc1cc(/N=N/c2ccc(C(=O)N(C)C)cc2)c(C)cc1/N=N\c1c(O)nc2ccccc2c1O	104367209	QENCHULXFOFBLI-XKYJUMAPSA-N	484.516	6.496	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)SC1=S	108928386	ONCURBFPVLFXPO-MTJSOVHGSA-N	474.434	6.947	10	40	JKCB	
COc1c(C)cc(O)c(-c2c(O)c(O)c(-c3c(O)cc(C)c(OC)c3C)c3ccccc23)c1C	169796350	CRNDXZNUVJSMND-UHFFFAOYSA-N	460.526	6.247	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F	224013004	ZVHWHYHQPUYQTI-FTJBHMTQSA-N	486.572	5.534	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371588	VBAFHBQNOOEXGK-KYJUHHDHSA-N	494.708	7.406	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224531123	SPSRIEVSIKJDDQ-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Cl	224603000	XWVXGCSOJWFPNI-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])c(C)c1C	408529922	KMNNQVOCDALPLW-XYGWBWBKSA-N	484.600	6.398	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1C	408577308	SHSQXLCHPOMIDE-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)ccc1O	408737184	ACULRCSPOFXBOF-SFQUDFHCSA-N	462.299	5.324	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O	408813668	OPZXPYKXBBATMT-XDHOZWIPSA-N	464.880	5.033	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408814047	RAZXQXTUNZOLSR-BKUYFWCQSA-N	465.556	5.820	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3cc(C)cc(C)c3)C2=O)cc1	408877003	SLGDQLIMRJSRPI-YZSQISJMSA-N	468.553	5.132	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408879219	CFSUXTRPMCTWQW-XKZIYDEJSA-N	491.012	5.388	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408881429	MGHMMXFXPFBPSD-LDADJPATSA-N	469.299	5.390	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)O)ccc3C)C2=O)cc1	408986581	QRZMDSSFJLHWOR-KGENOOAVSA-N	459.929	6.217	10	40	JKCB	
CC(C)(C)c1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O	409004657	BAWIIJDKEJVMMV-UHFFFAOYSA-N	496.607	6.571	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br	409245052	MRVAEETUZHICQC-XBUHWIKASA-N	491.769	5.255	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1[N+](=O)[O-]	409348337	SNWAGNKTEBYGRE-GRSHGNNSSA-N	491.377	6.876	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)c1	2423393	YRDNVUQZDWKJFU-KQWNVCNZSA-N	477.655	6.328	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)nc4sc5c(c34)CCCC5)c2C)cc1	3267718	WXALVSFYTAILAT-UHFFFAOYSA-N	477.655	6.270	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OC)C(=O)NC2=S)cc1	6481619	SCIBOGDZFCMUSK-GZTJUZNOSA-N	463.386	5.176	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	8836803	KJBZYRJYKXOCSF-OQYABBNDSA-N	480.615	5.204	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9293557	SOUDAMGPZWSNBN-TZRRMPRUSA-N	485.967	5.982	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	12274988	YODWFLBVRCFZTN-VCHYOVAHSA-N	490.389	6.666	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	12615117	LVAWBDZIYDWAIB-ONDHQXCVSA-N	468.471	7.671	10	40	JKCB	
Cc1c(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)SC2=S)c(=O)n(-c2ccccc2)n1C	13590585	VRZDZAQRJMNRNX-GZTJUZNOSA-N	476.410	5.197	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc12	19793914	OIHWRMFRKOZJFE-UHFFFAOYSA-N	477.523	6.857	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccc(Br)c2)cc1	20289008	LZGMENVFWZTBKQ-JWGURIENSA-N	462.347	5.595	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	41076755	FCBUYKQDBIHBQU-MDZWSVBZSA-N	483.475	5.373	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1	41108080	XHPMVQGZSBNOQN-VKPUNFQASA-N	497.536	5.150	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58846457	KPWXJLHPHDJSJU-QHWMMSMNSA-N	460.599	5.939	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(Cl)c1O[C@@H](C)CC	59104749	LHXWMCGNJYPVCU-MJOIQJIUSA-N	486.908	5.151	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cccc(Cl)c1Cl	59136207	OJJRKWRZABUQFS-RVDMUPIBSA-N	488.371	6.212	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1cccc(Cl)c1	59198171	UUEDVDGIMICHSF-RGVLZGJSSA-N	498.764	6.017	10	40	JKCB	
CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1	101122885	YQEQYDDKDZALRX-WPWMEQJKSA-N	453.586	6.076	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223060184	XWAZLBKCXANRMP-RPWUZVMVSA-N	469.054	5.460	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223382062	SBNRYZPMCNJMST-SXOMAYOGSA-N	452.627	5.970	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223383240	PZPJOQIMBTXXCT-NSOVKSMOSA-N	466.654	6.224	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21	223510089	UYUMLQUHTJKMOS-LPYMAVHISA-N	477.992	5.725	10	40	JKCB	
COC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223686134	RWOFIYBFHBXIRR-KAYWLYCHSA-N	484.625	5.178	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223972567	BJKSACSSHNJRGP-NSOVKSMOSA-N	495.652	5.933	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224169072	NDBLIUJVVUVBNH-VMPREFPWSA-N	495.696	6.512	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225349177	DMWRAPSQYDDEQU-NSOVKSMOSA-N	497.668	6.157	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	408538725	PTOSBRUNJNLQQW-LDADJPATSA-N	474.916	5.113	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccccc1Cl	408578139	VYYPFOXFAWJYRY-HMAPJEAMSA-N	495.025	5.759	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OCc2cccc3ccccc23)c1	408808609	QJMCHQPMDWBWNL-WGOQTCKBSA-N	492.531	5.402	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1cccc(F)c1	408868872	QGOGAPMUGLOMOB-UDWIEESQSA-N	478.907	5.053	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1Cl	408982838	FMBPNQBOPQPYBC-JMIUGGIZSA-N	468.340	5.376	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)SC1=S	409008516	ZNUFJLKXENZCQT-YVLHZVERSA-N	452.370	5.388	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)ccc1OCc1ccccc1	409059148	UJQNAXBCMJJLQW-LGUFXXKBSA-N	490.555	7.438	10	40	JKCB	
CC(C)CN1C(=O)[C@@H](Cc2ccccc2OCc2ccc(Br)cc2)SC1=S	409144583	KVXLPEYIAUHOCO-LJQANCHMSA-N	464.450	5.456	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1OCC	409180289	QOYIVINCFBFXQM-RQZCQDPDSA-N	472.390	6.336	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	409190764	QPVCOVXRGJKYHV-VCHYOVAHSA-N	460.294	6.193	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc(Cl)cc1	409203044	UVLWGYUMQKPEQD-WOJGMQOQSA-N	469.931	5.841	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(F)cc1	409206003	GPNMPXLOMCAHEU-UCQKPKSFSA-N	482.602	5.759	10	40	JKCB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O	409212977	SRKJVFQVLSIROJ-GRSHGNNSSA-N	481.401	5.781	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C	409329446	FQGBTFUHZLARAS-RGVLZGJSSA-N	470.959	6.531	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC	409329628	GPZFZFLHVMTLOT-GZTJUZNOSA-N	480.405	5.271	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	409342703	GCKSYHUWKITEJG-CQLSMYGBSA-N	477.007	5.072	10	40	JKCB	
Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1	409354493	GMCVAYGPJFGWRS-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	1137728	RZIQIQUNMUAHOG-BUVRLJJBSA-N	469.541	5.218	10	40	JKCB	
Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3337047	ILJPFUVOIPNYCG-UHFFFAOYSA-N	450.825	5.519	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	8765623	LGRJQBAAAWLLCK-APSNUPSMSA-N	489.808	6.016	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1	9232246	UBYARHZVAMOANV-CIAFOILYSA-N	466.540	5.886	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1	9282632	VNDRKTXYLQGOEN-STXQHDJLSA-N	470.057	5.493	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	9307539	CSQBVIYGTSZVMY-VIZRJVHBSA-N	483.597	5.160	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	9380724	AWGSQHPFBFJFMK-HNJSLSPMSA-N	487.599	6.546	10	40	JKCB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)cc1	9499960	MKHNEAQWPHFKIP-XJUOHMSHSA-N	499.350	5.149	10	40	JKCB	
Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)n1-c1ccc2c(c1)OCCO2	12541335	QXUGVOAUTJAMDC-UHFFFAOYSA-N	453.951	5.370	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	16805720	KEMYLOSSTATXRX-PWDRBQJJSA-N	467.641	5.154	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1	20288109	GUZKMHBFPIQUIL-OOAXWGSJSA-N	464.569	5.342	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	33429274	JYEGTJVCAWHJOC-SNCYIGMASA-N	473.646	6.382	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12	33718986	RIFTTZFBIWJCEG-USHMODERSA-N	470.528	6.033	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	33766603	ZFVZDJDUBPRIPW-ZDLGFXPLSA-N	499.350	5.051	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)c1	58848367	ICZHWJNMTMVUPO-SGIRGMQISA-N	484.543	6.641	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1cccc(C)c1	59135021	MWSBJIYIDXVYIV-HYARGMPZSA-N	474.488	5.619	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2ccc(Br)cc2)C(=O)N(c2ccccc2C)C1=O	59391284	PJRGDKDYTFGJTK-UHFFFAOYSA-N	475.342	5.649	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl	113830983	GUUKTASJPKDDNW-HZHRSRAPSA-N	488.074	6.852	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208314138	MGJICLKZGIJAEG-OOWUWCJESA-N	451.954	5.119	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222860552	IJKLOQSGULOMAM-YADHBBJMSA-N	458.553	5.890	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c(C)c1	223313741	LFMIMTIRCCSWFZ-RIACCQAKSA-N	474.674	5.566	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	223765317	STXSIQYWCKNCMP-LMSSTIIKSA-N	496.680	6.600	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224206792	XRVDWVVJDKSMPK-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
COc1cc(N/C=C2\C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)ccc1Cl	408526294	ARVVFFIZYOGPHG-JLPGSUDCSA-N	476.020	6.535	10	40	JKCB	
CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	408539189	FKHNGRYEUOOACM-JXAWBTAJSA-N	475.372	5.927	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	408764203	SJALQEWMKAARLE-RGVLZGJSSA-N	470.381	5.232	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2c1	408769369	SDRAYHIIIZEDIY-QGOAFFKASA-N	499.350	5.610	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)c1	408804981	ICHDJODQUIFXHD-DEDYPNTBSA-N	460.917	5.202	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)ccc1Br	408901275	CXOMKVXYQHPAHX-FYJGNVAPSA-N	483.456	6.571	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cccc(C(=O)O)c2)c1C	409044019	NLTDYNQNVQOCAM-CXUHLZMHSA-N	489.400	5.294	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409069414	MVAFXSLECVEQKX-UCQKPKSFSA-N	474.988	6.242	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1	409108686	YNCKHQBOYJOIDJ-UDWIEESQSA-N	452.507	5.623	10	40	JKCB	
CC(C)CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc21	409118148	PBLKMNFDGHMMRR-CFRMEGHHSA-N	475.419	7.540	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1Cc1ccco1	409126347	FMPRWTGOWNLIHP-UCQKPKSFSA-N	495.025	6.368	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409215818	FOHNYSYCWMQBKE-NDENLUEZSA-N	496.570	5.137	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409328398	UJUBGWGNPSUEMZ-UDWIEESQSA-N	485.974	5.980	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	2381910	NNXCPTRKZRTVNV-ZYNFKGNASA-N	490.389	6.281	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Sc2ccccc2)SC(=S)N1Cc1ccccc1	2570918	XPYBOPYULGRHHR-STZFKDTASA-N	464.593	6.147	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S	2847993	CCIUHEAACBITOG-ZDLGFXPLSA-N	454.400	5.802	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	8821308	YDLNPBYGDFWPRF-ITYLOYPMSA-N	473.663	7.322	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1C	9232272	NZHXINQGZQCLKL-XDHOZWIPSA-N	458.029	7.107	10	40	JKCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1	9242374	LWSNGICDAQQZIG-OUXZYKPHSA-N	496.614	7.157	10	40	JKCB	
CCCCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1	9680294	GLBCUNUEGROEBM-XDJHFCHBSA-N	485.078	6.498	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	13898669	GYNRODYOWLGEEA-NTHYWZRTSA-N	468.966	5.073	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16033717	QXHJQBLRKOYXPX-SDHOMARFSA-N	496.994	5.784	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(Br)c3)C2=O)cc1OC	39132424	VBAQXKWJIMZCNX-DEDYPNTBSA-N	493.357	5.309	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)c1	58845815	PMJSLQYVQKQSDF-DFIYOIEZSA-N	495.988	6.184	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1	58846045	ZZBHUGZSLKXTTQ-DFIYOIEZSA-N	460.555	5.321	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21	208461292	JFOCSASSDYXOFV-JJFYIABZSA-N	496.032	5.955	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	222971520	TVPGCUASYDLGEA-ZEQRLZLVSA-N	462.619	5.268	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1C	223230134	ANGFEAGQERROOM-UIOOFZCWSA-N	461.679	5.030	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1	223308274	BUIRQDMIMYGZCK-DFCKQENNSA-N	460.647	5.203	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)nc1	224241431	DKDFEYNXUDMLBN-FTJBHMTQSA-N	453.615	5.678	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224298750	GKTQGTBQRCHVMQ-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C)c1	408773354	UYTJSSZYBPBAEM-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)S2)cc1	408781786	DRWQZANZHAYXTR-SCRHHBKZSA-N	461.587	5.263	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(Cl)c4)ccc4ccccc34)C2=O)cc1	408798385	IBIVKHWLOKOBIP-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br	408982107	FTZSNJVBGFCYAT-MLPAPPSSSA-N	498.160	5.129	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409062655	YLDQEVLHVOORTH-QQXSKIMKSA-N	454.570	5.584	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccccc1F	409077716	GOCCIRGACRLHQD-IWEBCOIVSA-N	494.009	5.447	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)c1	409107225	RBXFKRIDNKJARR-CIAFOILYSA-N	492.534	5.278	10	40	JKCB	
Cc1ccc(N2C(=O)S/C(=C\c3cc(C)n(-c4cc(C)c(Br)c(C)c4)c3C)C2=O)cc1	409126793	GBXZIDHXJMHSMY-XKZIYDEJSA-N	495.442	7.023	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccccc3Cl)c12	409136567	RTXLKKXWFSSBPQ-BKUYFWCQSA-N	471.047	5.753	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S	409332534	PZPYIESOUQEQLT-ONUIUJJFSA-N	483.614	6.833	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S	409338477	KQUOMYCFVKFWNL-LPYMAVHISA-N	486.445	7.287	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1Br	409348245	RTOARSWLNTZQLU-LICLKQGHSA-N	452.370	5.781	10	40	JKCB	
C[n+]1c(-c2ccc3ccccc3c2)csc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2557779	BMLGFDIJYMULIB-UHFFFAOYSA-O	453.431	7.174	10	40	JKCB	
CCOc1ccc2c(c1)/C(=C/C=C/c1cc(C)c3cc(OCC)ccc3[n+]1CC)C[C@H](C)N2CC	5495374	YHBQHOPFZJIHBJ-QHCPKHFHSA-N	471.665	6.968	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	8407877	BTOBDBWBLRKHHU-ADKREUBMSA-N	477.977	5.403	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	8819851	KFJMPVPGNSAMQS-HKWRFOASSA-N	475.035	5.749	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8821442	ZNNDQNSPNKNFDD-ZUZCKIMGSA-N	470.399	5.954	10	40	JKCB	
COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	8871686	NBVKNRUKHAJSOX-AQTBWJFISA-N	491.432	5.078	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c(C)n1Cc1ccccc1	9192394	CCCNGVUPENLAAI-QRPNVLAJSA-N	488.016	5.669	10	40	JKCB	
Cc1c(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc2n1Cc1ccc(F)cc1	9435181	FOWZXGJLNSISRF-CORGUDEYSA-N	499.615	6.337	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	11859513	LQJTURQEFGILOO-WZOHSFFVSA-N	459.929	6.172	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	12032465	NTTMZQLVQYUEIM-HMMYKYKNSA-N	459.036	5.370	10	40	JKCB	
COc1ccc(OCc2ccccc2C)c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1	13881240	KTQZLEHKPSMIBG-UCQKPKSFSA-N	465.571	6.128	10	40	JKCB	
CC(C)C(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl	16790879	FDPCBXYTYJWREV-LDJRNAMNSA-N	472.829	5.857	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)c(O)c(OCC)c3)S2)cc1	18193734	GWGSMGSOQYVJPJ-BOPFTXTBSA-N	463.353	5.035	10	40	JKCB	
Cc1ccc(SCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1	27838997	CYHGOTDKELPUTF-SUJAKXCHSA-N	497.645	6.470	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	28120298	ASQPQDMMMJIYKI-KWZJRMENSA-N	498.445	5.117	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c(C)c1	58846226	HWBGCEHQVQOGLK-ANSQWYIGSA-N	499.463	7.238	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2	58850231	CCXPSIXSNWEILE-GLDPYIMESA-N	499.405	6.216	10	40	JKCB	
COC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@@H](C(C)(C)C)C2	102580621	ZCVFGLZSGPVFTH-NISQSXRWSA-N	451.592	5.404	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC1=S	107565251	BPEQLGYXBMVMNN-PXNMLYILSA-N	493.264	7.100	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208240727	COEMZGGPDFEBKY-SLDJAQPHSA-N	481.980	5.127	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21	208443111	XPPYVAWGDUQZOQ-MTJSOVHGSA-N	465.550	5.132	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222836774	OMQWQGLMIQUOFC-PKTZIBPZSA-N	455.027	5.532	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352238	NXBXCIMGLXFTPQ-DQEYMECFSA-N	486.597	5.261	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc21	223515018	ZIQCGHKIMBYJPU-WSDLNYQXSA-N	461.537	5.211	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	223762053	AEXOYOXLUUFDCT-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408741795	LDMUDMLAROTFHO-KGENOOAVSA-N	473.481	5.562	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1	408764802	SSHQTDGDLDFCOQ-LDADJPATSA-N	484.408	5.541	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccc(F)cc2)c1	408805585	HBAJIKWPYKPFLV-SRZZPIQSSA-N	494.906	5.042	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)ccc1OC(C)C	408823592	NXZWONRQMMBWKI-DHDCSXOGSA-N	496.869	5.211	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	408934297	ACQGBGDBWVSYSF-CIAFOILYSA-N	499.781	6.668	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)cc1	409014534	QAQBOJGLIOSJAQ-PCLIKHOPSA-N	481.577	5.087	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)C(=O)N(c2ccccc2)C1=S	409023227	YYQHUQDJXWKQKE-QGOAFFKASA-N	487.419	5.190	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccccc3Cl)c12	409141131	HPGVVSXQFVNKKI-UUYOSTAYSA-N	469.075	6.763	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)c(OC)c2)SC1=S	409330194	KLHUBDVWLJHRDR-FYJGNVAPSA-N	470.616	5.057	10	40	JKCB	
O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)cc1Cl	409350841	YUSMQOQRCZOYKO-ODLFYWEKSA-N	490.393	6.157	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccc(Cl)cc1	2619533	YGWYDYHZVYROQU-CYBMUJFWSA-N	473.347	7.178	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nn(-c4ccc(F)cc4)c(=S)s3)c2C)cc1	2664746	XADUJQPFYHBZPN-UHFFFAOYSA-N	485.631	6.194	10	40	JKCB	
O=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccc2c(c1)OCO2	3769624	BHSKHCHPKIUKFX-OEAKJJBVSA-N	477.563	5.279	10	40	JKCB	
CC1(C)CC(=O)C(/N=N/c2c(Br)cc(Br)cc2Br)C(=O)C1	8435225	JYMAIOFOTBEPHM-VHEBQXMUSA-N	480.982	5.385	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	8819762	LFZULFGZXGZWLO-MOSHPQCFSA-N	493.481	6.702	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OCC)c3C)C(=O)N=C2S1	9309817	RBFIOGYICAQZEE-IXNXYFIPSA-N	463.607	5.692	10	40	JKCB	
O=C(CSc1nnc(CN2CCCC2)n1-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1	9379450	UDPCBJZXBFPSMZ-QVIHXGFCSA-N	497.628	6.009	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N(c1ccccc1)c1ccccc1	13562277	GJGDDSVFIGZNKR-UHFFFAOYSA-N	476.045	7.317	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O[C@H](C)c1ccccc1	13809868	LQYNTJBGJJDQAX-MUGVLWBISA-N	481.577	6.139	10	40	JKCB	
CCOC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(O)c(CN3CCCCC3)c12	19830891	HFHPGVWSPQSRDS-UHFFFAOYSA-N	471.395	5.570	10	40	JKCB	
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	20549817	COLJMMIPQWNMNM-KSCDAYEDSA-N	489.678	6.218	10	40	JKCB	
CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S	33329817	AFSVZNAPCUEKGV-JQILVBFNSA-N	452.601	5.262	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c(OC)c1	58849252	BPJADEQNKWLSSB-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c1	208240980	HFOKQFYWOFPTCX-YODDIOPGSA-N	465.981	5.345	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2[C@H](C)CC1(C)C	208309195	YTOAYTMSRZXSHA-NXUSMQHESA-N	465.575	5.943	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223367224	KMPRIBVWHWKMTD-LOSJGSFVSA-N	486.597	5.041	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391044	ULUKQTSMIFONMK-SVBPBHIXSA-N	487.072	6.624	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(F)c1	223460044	RRJGFMULEYTVTM-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[C@@H](C)CC1(C)C	223585052	YXAJHMXMOWBSCX-ICODJCHTSA-N	469.050	6.997	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223780606	OQKSZXTXNRKPKF-IZZNHLLZSA-N	470.598	5.375	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	224170574	CKRSPAAOVMVJKK-CLJLJLNGSA-N	468.582	5.395	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21	260922724	RHXMFSMOKOSONC-LOSJGSFVSA-N	491.060	6.249	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	408575426	OGLFZJVJEAYQHA-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1	408634013	QYMZSFYJHIFPAK-HMMYKYKNSA-N	454.983	5.436	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1	408752588	IMRKOQXGLOAZKK-LFVJCYFKSA-N	471.329	6.576	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)S2)cc1	408774791	NCFUQVVCTCFKBI-XPCGLTFESA-N	482.447	6.019	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1	408775310	FZTQZCOSQWTALA-ZVHZXABRSA-N	483.955	5.626	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	408903297	XATZTTLOEMMPNR-RGVLZGJSSA-N	459.423	6.807	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1	408964815	HRQPVMUNALYPDC-LPYMAVHISA-N	461.949	5.339	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC1=S	409194962	NRWCBRDIPINMJV-RGVLZGJSSA-N	496.526	5.251	10	40	JKCB	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1	409331869	PBFBEZOLBZYZAC-AWNIVKPZSA-N	479.635	6.815	10	40	JKCB	
COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	409349609	QCPCQUHLKQXZJO-SXGWCWSVSA-N	498.807	5.060	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)c1	409349848	WLIWORFQHBVIER-NVNXTCNLSA-N	467.391	5.485	10	40	JKCB	
CCCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2C)C(=O)c2ccccc2C3=O)cc1	1820952	VBSXTLPTDLZZNB-UHFFFAOYSA-N	495.622	8.238	10	40	JKCB	
Cc1ccc(OCCCn2cccc2/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc1	1864752	GITBVHDZFFILAA-JCMHNJIXSA-N	477.948	5.734	10	40	JKCB	
COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(OC)c(Cl)c2)CO4)cc1	2113782	JEMAXMQBNYPRLA-UHFFFAOYSA-N	463.917	5.796	10	40	JKCB	biogenic
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C)c(OC)c2)SC1=S	2856411	DUZMKLGIYQCRLQ-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)S2(=O)=O)cc1	3169047	WUKBYBKESHGEBE-WLGHQHAYSA-N	487.408	5.561	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	3769286	JUNHUMHYPOLIRP-UUYOSTAYSA-N	486.445	7.287	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	8431637	QCJQIOXMFRVBED-IWPCDQQLSA-N	478.640	6.255	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1	8768793	YDAYPSCWJWRGGU-CJLVFECKSA-N	463.921	5.290	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	8821496	PGLKOBWNSWVTJS-PXLXIMEGSA-N	464.568	6.603	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	9290544	AGXNEWJWMNUNGD-RWYGKYMDSA-N	469.570	5.101	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1	9477472	MFZIPPVXDOBBAI-GGMUZDTOSA-N	471.557	5.283	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1	13686660	JYWHQWHNQHFLOC-GRVPHDJPSA-N	472.497	5.753	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1-c1ccc(Br)cc1	15982207	WEHLPHZEXMDRSI-UHFFFAOYSA-N	468.376	5.882	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C	16700659	BKNPLOJPTUVSQR-XYGWBWBKSA-N	497.645	6.258	10	40	JKCB	
COc1ccc(N2CCN([C@@H](c3ccccc3)c3nnc(-c4ccccc4Cl)o3)CC2)cc1	20249057	CKIFAYPZHGFDHT-DEOSSOPVSA-N	460.965	5.310	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(C2CCCCC2)cc1	23382856	HQFCJMVNIKUMNQ-XYGWBWBKSA-N	471.557	6.237	10	40	JKCB	
Cc1ccc(OCCCn2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	30828573	GXBKPVWJADKGSZ-WLKIOIGBSA-N	468.582	5.570	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1	33322086	FWIOEGMYKBBJMU-WQRHYEAKSA-N	451.822	5.323	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S)C(c1ccccc1)c1ccccc1	33340372	LIDPGKJUHPGPSV-HMMYKYKNSA-N	496.560	5.353	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Cl)cc1	33541516	KCKXBDHDHIJFLU-DEDYPNTBSA-N	450.853	5.565	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	33888794	VRLUARGAVYMOBR-LXROFQDBSA-N	476.565	5.310	10	40	JKCB	
Brc1ccc(-c2nn(-c3ccccc3)cc2C2Nc3cccc4cccc(c34)N2)cc1	70453981	KYUICMFGTXODJP-UHFFFAOYSA-N	467.370	6.991	10	40	JKCB	
CN(C)c1ccc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=S)NCc2ccccc2)cc1	95945246	FIGAYQFXACSOSL-DEOSSOPVSA-N	493.474	5.741	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1	223346113	DSHUXWJJKHAACK-ZEQRLZLVSA-N	463.006	5.908	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(F)cc1	223460248	XXPRJRHADKPZPE-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223462707	FKZZTDAUZQUFQP-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	223566524	LKAZGTHKAHQQSV-QHSFOXILSA-N	491.657	6.171	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224601601	SCEHQANTUMWJQJ-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc2c(c1)OCO2	224607558	OAQMXGLLNKPHTA-IZZNHLLZSA-N	484.581	5.101	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1	408576737	QTDHOHDYRSOZTB-HMAPJEAMSA-N	495.025	5.759	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1	408806500	JKWTYDFNQCUXSW-LDADJPATSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(C(F)(F)F)=NN1c1ccccc1	408973765	UXUFFXNRDWSLII-ATVHPVEESA-N	450.338	6.314	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1[N+](=O)[O-]	408987028	UUCVNSSALJJHPZ-WOJGMQOQSA-N	451.309	6.681	10	40	JKCB	
Cc1ccc2c(c1)c(/C=C1/C(=O)N(c3ccccc3)N=C1C(F)(F)F)c(C)n2Cc1ccccc1	409041536	WBVVHHUDIVPPPO-LFVJCYFKSA-N	473.498	6.655	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1CCC1CCCC1	409147199	VNDXBIJNOOJQKM-XHPQRKPJSA-N	490.694	6.892	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409341321	BCQBPFJYMQSIKK-ZDLGFXPLSA-N	498.504	6.026	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409368917	SGCVVAAXQUABJD-CXUHLZMHSA-N	468.387	5.330	10	40	JKCB	
Nc1ccc(Oc2ccc3nc(-c4ccc(Oc5ccccc5)cc4)c(-c4ccccc4)nc3c2)cc1	3666999	LQFITQGFWWPEJU-UHFFFAOYSA-N	481.555	8.131	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccc(Cl)cc1	8386404	QMPWCMYGALNFOV-XSFVSMFZSA-N	451.956	5.965	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccs2)[C@H]3c2ccc(N(C)C)cc2)cc1	8444233	MZVITIXQDDIEIF-XQKAGYMWSA-N	484.669	6.317	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	8821322	JKQBLFJPNFPIER-UQQQWYQISA-N	494.081	7.667	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1	9193217	VNVKDIPNPHHUTK-VALGJJBMSA-N	476.565	5.060	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1	9225172	GJOBTEYSBSPONZ-PXLXIMEGSA-N	460.580	5.120	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C)cc1	9553575	OBGPFEWNKOGVHY-ONUIUJJFSA-N	489.662	6.941	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)o2)c([N+](=O)[O-])c1	12372474	HVXCEEQWQWDYIY-JAIQZWGSSA-N	469.906	5.908	10	40	JKCB	
O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	12579428	LZCWUVGMOQNHGT-UHFFFAOYSA-N	499.400	6.109	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	13632963	SUGFACQHZYBSJZ-FKCDAAJZSA-N	462.505	6.794	10	40	JKCB	
CCOC(=O)N1CCN([C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1	20192088	MWOXSFHZHQQVAF-AREMUKBSSA-N	495.708	5.917	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	20353504	DCXHUDGOYLHMAO-OROMBRFGSA-N	466.622	5.059	10	40	JKCB	biogenic
CC(C)c1ccccc1NC(=O)COC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	33491918	SPUFIZQJQIIKKB-POGMTIRKSA-N	494.638	5.139	10	40	JKCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4cccc5ccccc45)C(=S)N=C3O)ccc21	33609659	ZPUJAHVCXLQFPJ-XLNRJJMWSA-N	455.583	5.674	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1C	59336697	VMOCVCPKMUEJHR-WSDLNYQXSA-N	495.362	5.856	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208312230	NRFWQDWCWUWKLY-OOWUWCJESA-N	468.022	5.283	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc5ccccc45)c3C)N21	222693731	ZBCARHXODNSYBK-NJTBCWBZSA-N	452.627	6.622	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230330	VCZNVLRSROFYNL-IZZNHLLZSA-N	461.679	5.030	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(F)(F)F	223344021	SSYFOZIJWJJWAK-ZEQRLZLVSA-N	496.558	6.274	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224305905	BAYYYLQWKSMCLF-WUFINQPMSA-N	496.636	6.012	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	224464471	JSEWVYSUASKANW-RPBOFIJWSA-N	493.463	6.973	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c(C)c1	260573376	YJGAJWAXABNBKQ-YDDPGSGASA-N	482.049	5.510	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1ccccc1F	408875740	KMOVKRXKVDVKNE-RGVLZGJSSA-N	478.907	5.053	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1Cl	408880845	JBIXINOYZWGHAT-SFQUDFHCSA-N	497.334	5.247	10	40	JKCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	8442164	MBNJLBDXEDGOHR-YUMHPJSZSA-N	495.579	5.583	10	40	JKCB	
CC(C)c1ccc(N2C(=O)[C@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8836360	VIQPEYAMIVDDQB-SGNDLWITSA-N	499.950	5.159	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2cc(Cl)ccc2O)C1=O)=C\c1ccccc1	9282091	QNYXNARCQBPTDM-JKLBGJETSA-N	458.992	5.222	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2OC)c1	9434610	ZTOCPNMULSTOQP-JLPGSUDCSA-N	493.606	5.567	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1Cc1ccccc1	13477879	DHUUBOYADGVINF-BIRLBKGPSA-N	485.638	5.663	10	40	JKCB	
O=C(CF)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl	17837817	QFOKMKZTJAODRL-RZJDRKADSA-N	462.765	5.170	10	40	JKCB	
CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1	35623023	DQOXDSKOVALGFU-QHCPKHFHSA-N	484.437	7.943	10	40	JKCB	
COc1cc(/N=N\c2ccc(O)c3ncccc23)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1	104219955	SFXRKMUUGIAIPX-LBXGSASVSA-N	458.434	6.697	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	108060622	MWBCUTZPFCVKJW-HMAPJEAMSA-N	470.953	6.002	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(C)C	206910971	JNBMQVHZIFYLSR-XDHOZWIPSA-N	477.007	5.072	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208257452	QZHHAAILHHZDJG-FHOUHHFSSA-N	458.389	5.808	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223057435	JUKSJWJBFQVJND-XZOQPEGZSA-N	489.472	5.805	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223609804	ODIXHQIZSPUVGS-VZMFNRANSA-N	475.658	5.635	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224237597	SVXXNURUMLFVTD-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1C	224270323	QHPPAIOKCZYFIT-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224305572	XQXRJYBNMVMWHD-FQLXRVMXSA-N	480.681	6.900	10	40	JKCB	
C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(N2CCCCC2)cc1	225587012	GEMYBOKLFNNFDE-IBGZPJMESA-N	458.021	5.559	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21	260922721	RHXMFSMOKOSONC-DQEYMECFSA-N	491.060	6.249	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)cc2)cc1	408532958	OSEPMHMIONBGBI-KOEQRZSOSA-N	469.656	7.705	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408578858	ZWXPPEXFCRENII-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)c(OC)c1	408760026	QCVKRJJUGIDFFO-DEDYPNTBSA-N	492.959	6.546	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1	408813455	UIUWOVQFLFXOOY-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	408872706	OPGMGMACXCVCMJ-IWHLBADBSA-N	489.999	7.151	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	408956603	XUHMYXGMFLIOEP-CHVBDDPJSA-N	497.551	5.285	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(OC)cc4)C3=O)o2)cc1	408987850	ZDIMLPJITXTLMI-PTGBLXJZSA-N	477.516	6.213	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCc2cccc(C)c2)=N1	408988143	HECSQQSBQUHXNB-AREMUKBSSA-N	470.642	5.907	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(c2ccccc2)=NN1c1ccccc1	409081937	IJTWPGOWCINYCT-DIBXZPPDSA-N	475.504	6.008	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)SC2=S)c(Cl)c1	409140546	IXAFKQQPEPRLRM-DHDCSXOGSA-N	456.898	5.213	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)SC2=S)c(Cl)c1	409149443	GIBAVUJQYKJWFQ-KGENOOAVSA-N	480.998	5.987	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	409194885	DVXHCVIFKGAFGA-FYJGNVAPSA-N	455.004	5.875	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c(C)c1	409232107	NBYNGLBNFCFSJR-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	409327558	KUENKASSORYMRJ-YVLHZVERSA-N	468.825	6.297	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)ccc1Cl	409328321	SCHRGTBLDVITEI-ODLFYWEKSA-N	473.934	5.932	10	40	JKCB	
O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1	409335112	YVNWHSHJQJURPD-AUWJEWJLSA-N	463.180	6.301	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)cc1	409342623	BXCADDDFTPTEIZ-MFKUBSTISA-N	472.610	6.851	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1	409344331	IZPPNJOKDSAIEJ-ODLFYWEKSA-N	453.566	5.874	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c1	2373787	JFKYITUZBYAZGF-VKINRBECSA-N	472.614	5.640	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1cccc(Cl)c1	8749060	FXIQUWSKACAVCI-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc([C@@H](C)CC)cc4)c4ccccc34)C(=O)N=C2S1	8818206	HBNCZHPKTFLXQS-OXHXEBTGSA-N	499.640	6.263	10	40	JKCB	
CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	8819990	AMPJKFRQOIZKSG-JCMHNJIXSA-N	482.627	5.378	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)C(=O)N=C3S2)c1	9158731	SNHFAMXBTQHSHY-VALGJJBMSA-N	487.560	5.240	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	9232335	IBFSXBBCMDVULA-CIAFOILYSA-N	493.566	5.813	10	40	JKCB	
CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]1C	9310212	UJSGOICYYICMBC-UWJJZEFNSA-N	451.699	6.178	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1	9311230	SUYXNAIKPZNBRO-XMHGGMMESA-N	495.214	6.991	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	9439082	HZWKYWNFCLRVPE-ZVSYKFGMSA-N	490.987	5.773	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1	9477345	IAINAXBDWPPDTD-ZQHRETPFSA-N	491.591	6.427	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3cccc(Cl)c3)cc(C(F)(F)F)n2n1	12955288	OLKFYUGCSLLUPN-UHFFFAOYSA-N	472.923	7.205	10	40	JKCB	
O=C(c1ccco1)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccccc1O	13128650	YCMICJQFOCHWMY-RUZDIDTESA-N	474.520	5.829	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)SC(=S)N1c1ccccc1F	13881153	VMITXBAFZSGZNO-QJOMJCCJSA-N	465.571	6.079	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	16043038	JVVADJZDSMGGOB-CBKATNNLSA-N	476.617	5.170	10	40	JKCB	biogenic,in-vitro
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)cc1	16678566	NNGCWFRDKREIDU-UHFFFAOYSA-N	484.383	6.665	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)c(OC)c2)SC1=S	26967613	LUUMIZUKMPKEBE-JWTIAOEASA-N	486.442	5.413	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCc1ccc(F)cc1	35155596	FDZRULXBFYUXEU-XKZIYDEJSA-N	468.937	6.149	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)cc1	58850044	RDRIRQOWYYYHNV-BOCWGRARSA-N	466.606	6.776	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)N=C3O)o2)cc1	59137939	YYALYHCCVUFXQT-LFIBNONCSA-N	473.337	6.553	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223458314	SZXYFOAODGUKCM-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc2ccccc12	224397152	IGBPBCZIGJZBFI-WDYNHAJCSA-N	492.623	6.959	10	40	JKCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc3ccccc3c2)SC1=S	256055772	SOMSBECNGOKEQO-NCJDQSJGSA-N	462.596	5.128	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3C)SC2=S)cc1	408576176	SMMDLECQXLZFGJ-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1ccccc1Cl	408873054	MLLWCSNQDIJEDA-XDHOZWIPSA-N	495.362	5.568	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(F)c2)C1=O	408892270	AHGJIESTIJIUTE-DEDYPNTBSA-N	464.880	5.033	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409011607	NVQPKHZNRALEQN-HAHDFKILSA-N	474.988	6.242	10	40	JKCB	
Cc1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl	409020647	RNSHZCDKVINFDE-UHFFFAOYSA-N	498.007	6.187	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O	409096344	KUDVXWGDYZONLL-AUQXIXNCSA-N	479.001	5.810	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1	409344363	IYIOCIDNIKUXLO-OEAKJJBVSA-N	479.648	6.402	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)c1	409344447	JOTDHWNWMAOMQI-UUASQNMZSA-N	457.385	6.029	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc12	409350267	RGXOQAASWVPBFQ-VXLYETTFSA-N	490.831	6.670	10	40	JKCB	
O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	1262733	JMONRAAQSUXBLQ-PQMHYQBVSA-N	463.820	5.548	10	40	JKCB	
CCCCCn1c(NCc2cc(Br)cc(Br)c2O)nc2ccccc21	8741434	OZJAUUPRVXXWKL-UHFFFAOYSA-N	467.205	6.069	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	8819746	OHJRPMCLNXMSML-XLNRJJMWSA-N	468.644	5.794	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	9282585	GYIYUESYRZOHOB-JVWYAVPJSA-N	460.390	5.676	10	40	JKCB	
Cc1cc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1	12312184	QXUUWUUHPOMKSV-KOEQRZSOSA-N	480.999	6.481	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1	13534663	WMJZOESBDRAQAZ-WQRHYEAKSA-N	498.979	6.287	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	13892960	ZYWWDTXZXQDRAF-YRKOIEFQSA-N	476.602	5.571	10	40	JKCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1	16735758	IRJHDBYNLPHVRI-QJOMJCCJSA-N	459.592	5.658	10	40	JKCB	
CCOC(=O)c1c(CSc2cccs2)n(C)c2cc(Br)c(O)c(CN(C)C)c12	19898164	NZDNHRDPEYHJMS-UHFFFAOYSA-N	483.453	5.239	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(Cl)cc1)N1CCN(C)CC1)c(O)c1ccccc12	22785632	BYQPNCYULPUMDD-VWLOTQADSA-N	493.003	5.767	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cc(C)ccc5C)c4C)C(=O)N=C3S2)c1	41076702	ZUODTLIEQMSJIB-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	41083149	HHMARGYBUVINEC-PPIATVRMSA-N	473.577	6.028	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1	58846699	CBOXOBBNFWSXAM-PPJWLVRDSA-N	475.570	5.839	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1	58846844	WIYDEKBGYXTVSX-XXAUWVGASA-N	489.597	6.346	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58848142	BDIOYFLSLVINTR-VVZHRXSXSA-N	481.017	6.284	10	40	JKCB	
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc(O)c1O	79487602	MNFJZZACKGJHHR-UHFFFAOYSA-N	475.501	5.724	10	40	JKCB	
O=C1/C(=C/Nc2ccccc2-c2ccccc2)C(C(F)(F)F)=NN1c1ccc([N+](=O)[O-])cc1	100478105	RXBKHWIRXOPDBN-XMHGGMMESA-N	452.392	5.523	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	107777831	CSXZDCJJPKRCFR-MOSHPQCFSA-N	480.351	5.817	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1cccc([N+](=O)[O-])c1	113831016	SJHGDNCJFJQEJU-CIAFOILYSA-N	466.515	5.719	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C	208231229	WFMMOJWAKBAEOG-XKYMITNMSA-N	486.399	5.690	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	224200539	NRUGDCWPRVVMSI-IHLOFXLRSA-N	488.660	7.128	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224266291	DKGAFOVPFVCXCC-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224307862	WIHKDFQYVJFALB-DGPALRBDSA-N	494.708	7.154	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	224399987	RONMSCUPNDVGAZ-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@@H](CC)C2	225633117	VAVYKRZJAZHPON-QJJNNQMVSA-N	459.608	5.071	10	40	JKCB	
C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1	225956529	IUQSISPXSMYONR-IAGOWNOFSA-N	492.615	5.065	10	40	JKCB	
C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408643135	OWFMSXYMNSEKKE-NFBKMPQASA-N	450.538	6.180	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C	408790875	UDLYJAUJNSMISN-CIAFOILYSA-N	477.948	5.039	10	40	JKCB	
COc1ccc(Cl)cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408983802	CRSQMWKBLKHAAE-GZTJUZNOSA-N	456.756	7.127	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)cc4C)C3=O)o2)cc1	408983813	CUJDTRDELLPFKI-XIEYBQDHSA-N	475.544	6.821	10	40	JKCB	
CC[C@H](C)Sc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12	409036140	KYPXFFPBFJTJRP-OOIIIRTPSA-N	490.497	7.232	10	40	JKCB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O	409042255	LWYXRKJBYOQDSD-CAOOACKPSA-N	453.347	5.000	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc2c(c1)OCO2	409216947	QALKNKGPUWZSRD-VXLYETTFSA-N	475.469	6.100	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O	409235838	CJEHPOVYMCLRFA-PXLXIMEGSA-N	490.003	6.020	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br	409236233	FEMSMZDSVAOSHT-HLVNSREUSA-N	493.810	5.111	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)C1=O	409252325	XHAXDKOMIJXWSI-LGMDPLHJSA-N	495.329	5.083	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1C	409330889	NJJXLEDCGYEEDL-PKAZHMFMSA-N	481.642	7.441	10	40	JKCB	
CN(Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12	1565519880	KSSCVVJCDPHHKV-NTKDMRAZSA-N	467.009	5.515	10	40	JKCB	biogenic
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl	8819677	MQPATAYWDYYVRC-UYRXBGFRSA-N	479.454	6.394	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1	8821873	UEVYKTQTIFVJGX-UDWIEESQSA-N	453.907	6.153	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)C(=O)N=C2S1	8861624	ZETAVFZGPQFGAN-QKVDKRGOSA-N	486.956	5.486	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	9209749	NNXHZRDFUJHAFZ-IJQXDZDCSA-N	467.598	5.632	10	40	JKCB	
O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	12549246	ISJICGCRLHKKIE-UHFFFAOYSA-N	475.711	5.658	10	40	JKCB	
O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc(Oc2ccccc2)cc1	13547380	LZNUNSHIORKAOB-ZHZULCJRSA-N	468.397	6.647	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	14133143	IKFDWLDOCGREDF-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cc(Br)ccc1OC	33680222	DWEJHYOIGPTZOY-ZHZULCJRSA-N	478.342	5.488	10	40	JKCB	
Cc1nc2c(c(-c3ccccc3N=O)c1C(=O)O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)C(=O)c1ccccc1-2	35080477	QCFQLASOCIGVFK-FNXFILMUSA-N	480.564	7.038	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847196	GTBQTWCDZATQQV-SRGWNRLKSA-N	454.954	6.106	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(C)cc1	59135274	XRWJLOXQMCDVEH-HYARGMPZSA-N	474.488	5.619	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=S)N=C3O)o2)cc1	59137955	BNIDHMQBQURZTC-LDADJPATSA-N	499.411	6.173	10	40	JKCB	
O=C(Oc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)cc1)c1ccccc1	96006165	UWYLVCMDQQZFDW-LGVFNWMJSA-N	493.344	6.337	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Br	222830111	HZEHOPSVVGFKKG-FCHUYYIVSA-N	469.452	5.633	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223903061	HYLXEARUBWIKTO-KAYWLYCHSA-N	482.657	5.436	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1C	224269971	DASFTKJUUOXSDO-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)cc1	224385316	BYHZVBDEDZXVET-NSOVKSMOSA-N	482.653	6.490	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(F)c1	224432591	OECNONBORCHUFX-DQEYMECFSA-N	460.553	5.944	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1	408695407	UDVNKAUJLNPUIF-LFVJCYFKSA-N	454.526	5.132	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O	408805727	LCJNYWPTNLPJBR-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408874555	BQQHDDBNIHXAIL-OVVQPSECSA-N	478.523	5.799	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCc2cccc(F)c2)=N1	408985227	AIHIYGHUYHIYLM-RUZDIDTESA-N	474.605	5.738	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1C	409067764	PUNJXBYXHVXNQB-HYARGMPZSA-N	479.026	5.939	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc2ccccc2c1	409080253	MLQMQTZVNXZJLC-OOEUXUOGSA-N	491.634	5.808	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	409098088	PHOHQWYETJLPGE-GXDHUFHOSA-N	461.688	5.573	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1Cl	409201595	WPXLDJSPFSWJTP-LPYMAVHISA-N	485.030	5.883	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c2ccccc2N1c1ccccc1	409206819	QFMCDIKCDHNGRK-NJZRLIGZSA-N	476.579	8.062	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409231392	CUABWDPKTFTXBJ-WGOQTCKBSA-N	485.653	6.172	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C)cc1	409331834	OJQGSFJHUJSSGQ-WYMPLXKRSA-N	491.590	5.717	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1Cc1ccccc1	409344326	ITELXAGDCYVNKD-YZSQISJMSA-N	467.615	6.820	10	40	JKCB	
Cn1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	409371508	GQLDSCDFPNRWER-CAOOACKPSA-N	477.398	5.423	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1ccc(F)cc1	6143166	RWNWHEXRJBCSNX-VCHYOVAHSA-N	450.343	6.798	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S	8821314	YPMGNLZQYOWCEB-RUAJRXAUSA-N	455.601	5.419	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1Cc1ccccc1	9290855	RNMUTXFFMBKBQV-ITCQOWKOSA-N	473.646	6.133	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3sc4cc(F)ccc4c3Cl)c2C)cc1	13146201	YUSRNNSDTLAMTH-UHFFFAOYSA-N	471.937	6.150	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1	16689083	GTEVSXZGJQFDSU-MYYYXRDXSA-N	493.625	6.513	10	40	JKCB	
N=C1/C(=C/c2cccn2CCCOc2ccc(Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	33157384	LAPSSMWPCHDAAZ-OHYLSHRZSA-N	489.000	5.915	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	33436735	VKHNHDJBUPFTLA-FMCGGJTJSA-N	489.553	6.143	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC	58845741	KBZMZQLJISIKTR-FYQCMVGJSA-N	476.598	5.640	10	40	JKCB	
Cc1c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc2n1Cc1ccccc1	59135090	RGBDTGSQHCSAFU-HZHRSRAPSA-N	453.473	5.644	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208243491	CMPHGVAEZHKXOV-SLDJAQPHSA-N	465.981	5.291	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(O)cc1	224434264	ZZBWNGLJDBKTES-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224529923	YUAQOWDMXQXJSL-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)S2)cc1	408771024	DLKFPTXRYTXVFQ-CBYYHRJHSA-N	452.023	6.218	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O	408782982	ZXEKGBIRMZTQSN-KGENOOAVSA-N	492.373	5.085	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	408793489	FNIIARGYQGPLFT-NVMNQCDNSA-N	484.346	5.062	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(C)c1	408801553	VPXFJOXOVFYUJW-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408869019	QRAUZWRHNRTYQK-GZTJUZNOSA-N	485.754	5.904	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)c1	408887168	OQJTVIFNDUSTRT-FYJGNVAPSA-N	464.880	5.033	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1Cl	408986943	TUQALZIFSFEQQW-QGOAFFKASA-N	450.321	6.251	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2cccc(Br)c2)o1	409035404	PTOYSURSSGZCLM-JYRVWZFOSA-N	497.217	6.211	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409058867	YXLBZRYCVZVJQG-QRQIAZFYSA-N	482.624	6.595	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1O	409338450	KEQPPRNXGCLSCL-LZYBPNLTSA-N	470.797	5.613	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C/c3cccc([N+](=O)[O-])c3)c2C)ccc1I	2056187	BMJMQNOZKXUMIX-BQYQJAHWSA-N	458.299	6.086	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1F	8408062	NZLNOSZNFDNKRK-AJUVRHARSA-N	499.567	6.108	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	8821292	DDFZNFOINRLNCC-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9089716	UIOCVXAKKKONAX-DSITVLBTSA-N	498.376	5.472	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	9136637	DUSVXVNFEKWOLG-KRKDOYDSSA-N	498.992	5.144	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	9188671	QNDKGWFVFYAGCE-UFAQQFSPSA-N	475.635	6.545	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(CCOc4ccccc4)C3=O)o2)ccc1Cl	9235724	MHNRXGBCXRQWQE-DEDYPNTBSA-N	469.902	5.414	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3ccc(Cl)c(Cl)c3)C2=O)cc1	20210161	IYUWFQQXUDLNPU-BOPFTXTBSA-N	456.285	5.299	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1	58848515	LIOIQVKYAJSUEV-BXTSTYNKSA-N	490.625	6.110	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	83292839	MDSAAHURJQBVNO-UDWIEESQSA-N	497.374	6.961	10	40	JKCB	
CC/C(Nc1ccc([N+](=O)[O-])cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100157865	XUCGSPIUEAGIAO-DTQAZKPQSA-N	461.425	5.246	10	40	JKCB	
COc1ccc(-c2nnc(N/C=C3/C(=O)N(c4c(Cl)cc(Cl)cc4Cl)N=C3C)s2)cc1	101113894	BPSOBEVGTSCXID-NTEUORMPSA-N	494.791	5.892	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC	112294018	LOIHIEBPOMDILY-BKUYFWCQSA-N	458.902	5.154	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208525288	HLOGNILOBXPJIG-FYJGNVAPSA-N	463.965	5.337	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)N21	222671163	RDWDLYKGGMOHKV-OFAXGOBFSA-N	470.564	6.487	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc2ccccc12	223493240	GZQFBGNSAPEMNT-FQLXRVMXSA-N	489.648	6.210	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1O	224015191	NFFDNTNVHZVSEN-FTJBHMTQSA-N	484.581	5.101	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C	224564806	BPBMZFZMYOFJHD-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1	260735183	FVRXUGGZVADOIP-LSDHHAIUSA-N	455.977	6.643	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	260925493	UPNUYXXEFILKDM-DQEYMECFSA-N	455.631	5.281	10	40	JKCB	
O=C1C(=Cc2ccccc2OCc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408882106	PWQHWNRUAOZXST-UHFFFAOYSA-N	492.506	5.988	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)c1	408937204	NCWDBEFSWQWVRR-ONUIUJJFSA-N	476.532	5.702	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C	408966513	MZFQLJYZNYGEHJ-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)OC)ccc3C)C2=O)cc1	408984979	JVMICFTVPWUGCW-PXLXIMEGSA-N	473.956	6.305	10	40	JKCB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl	409035495	PTVZHTCOXMWMAG-ITXLNXHTSA-N	493.259	6.672	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccc(OC)cc4)C3=O)cn(Cc3ccccc3)c12	409129876	MNTQXKBTDHTLAO-QQXSKIMKSA-N	498.673	6.662	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S)c1ccc(Cl)cc1	409330142	JKNLSVAASRSGHT-FYJGNVAPSA-N	498.988	5.604	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc2cc1-c1ccccc1	524731995	SHOQQOZZKQPSPH-OJCCWABESA-N	482.624	5.561	10	40	JKCB	biogenic
CCOc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2c1CCCC2	920895	KROPNDFZGDNLDM-UHFFFAOYSA-N	496.629	5.916	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	1669968	VYAUALQNJWTMTL-ZAAFRKLLSA-N	459.548	5.820	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1	2376548	JJHAZTKYLDUVDF-UHFFFAOYSA-N	457.320	5.172	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccc(OC(F)F)cc1	3351386	NYSRXQZCHHXETA-UHFFFAOYSA-N	485.581	6.164	10	40	JKCB	
CN1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S	8722175	CQMNJIFLLHGOOT-QJOMJCCJSA-N	463.562	5.068	10	40	JKCB	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	9232315	XEGLKKKILBCCEJ-VIZOYTHASA-N	458.761	5.656	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	9969800	BQCJRWZFAVPKQL-BKUYFWCQSA-N	492.062	6.069	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)cc1	13685934	TVSJHQYDMBNZOK-JLPGSUDCSA-N	499.498	5.375	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1Cl	13897806	JJXLVDQUTDTPPT-WOJGMQOQSA-N	468.427	6.192	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(C)c2O)N3)C1	15946089	HDXOSNRDHDCQMA-HXPMCKFVSA-N	463.441	6.495	10	40	JKCB	
C/C(Nc1ccccc1Sc1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	20288277	XEQQBFYDZAUQEV-MEFGMAGPSA-N	461.590	6.975	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)cc2)cc1	33457954	BOSWILAPIRIKDH-PEODKBGFSA-N	472.595	5.497	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Cl)c1OCc1ccccc1	33741927	ZASFTPGUSQJIBG-BKUYFWCQSA-N	485.392	6.663	10	40	JKCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl	34378559	FDZZWJCARAPECH-WOJGMQOQSA-N	469.324	5.042	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58846365	WYQCDVJVUFVIQT-QHWMMSMNSA-N	488.609	5.717	10	40	JKCB	
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)c1C	59176373	TZMSLLULVKUTFA-ZQHSETAFSA-N	486.601	6.157	10	40	JKCB	
Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=NC2(CCN(Cc3ccccc3)CC2)N1	65297975	LITHVWGOKQDLLS-RUZDIDTESA-N	480.439	6.215	10	40	JKCB	biogenic
O=c1[nH]n(C2CCCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc(O)c(O)c3)c12	85877566	HGXYYNAXCDJJLF-UHFFFAOYSA-N	461.474	5.009	10	40	JKCB	biogenic
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	208222853	ORDSXORONGUXTG-OFNOZLENSA-N	451.548	5.553	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(F)(F)F	223343962	SSYFOZIJWJJWAK-BJKOFHAPSA-N	496.558	6.274	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223761957	RMGWZTYBIKRMNR-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(=O)O)c1	224401883	GYIQJWQMXWCZCM-LOSJGSFVSA-N	486.572	5.504	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225342970	ZDASFWJGGJIZCI-WDYNHAJCSA-N	496.680	6.762	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(Cl)cc2)cc1	408763288	OVONVANOPOXTGE-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1OC	408765769	QDYRXCMSHYJUSM-DEDYPNTBSA-N	497.776	5.954	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)c1	408817819	UOTJMMZUDQHHFO-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408819116	WTIJZHZOYIETOY-FYJGNVAPSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Cc3cccc(F)c3)C2=O)cc1	408868346	MEGONVDBUTXRJB-HYARGMPZSA-N	493.332	5.154	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1Cl	408877673	XPFUDRLMYXDUQO-VXLYETTFSA-N	483.326	5.698	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O	408892265	YICZPWLSYAXOHW-UYRXBGFRSA-N	478.907	5.287	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408902040	JYURDLODKNDIOO-LPYMAVHISA-N	490.943	5.822	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409014719	IODZVRPCOZEWJY-FMCGGJTJSA-N	494.374	6.450	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4C(C)C)c3C)C2=O)cc1	409023626	JHRMBOSIKYQAAL-BUVRLJJBSA-N	470.573	5.057	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S	409031245	JQZBADGUFAJRRM-NVMNQCDNSA-N	486.873	7.083	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1	409096712	KUHKIQMWNPMJRX-FOWTUZBSSA-N	499.306	5.097	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c1C	409126733	BINPRAYOJLNVKD-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OCC	409204075	AKUTVQVDIPRVCZ-LICLKQGHSA-N	498.851	6.306	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	409326632	CQPDRDFBEUYEFT-HYARGMPZSA-N	495.025	6.072	10	40	JKCB	
Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c2oc1=O	524729316	OCXCAPFXXCGSEJ-IZORYLLQSA-N	469.025	5.164	10	40	JKCB	biogenic
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(O)=NC2=S)cc1	2283159	HUWDHUYRXRNTIJ-HZHRSRAPSA-N	451.551	5.670	10	40	JKCB	
N=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC(c3cccs3)=NN12	8771077	MZXLNQQTFYOSRR-KBWRVROPSA-N	488.594	5.263	10	40	JKCB	
CCOc1ccc(CC2=NN3C(=N)/C(=C\c4c(C)[nH]c5ccccc45)C(=O)N=C3S2)cc1OCC	12412169	COJDEMJMPJUULC-OPATVOHWSA-N	487.585	5.136	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1	13769858	VNDRKTXYLQGOEN-WYMJOSIYSA-N	470.057	5.493	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009564	CXAUQEVIUHMFIF-MYYYXRDXSA-N	474.532	5.115	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1	16349234	BGGHCDXKJLFFJI-IWIPYMOSSA-N	461.608	5.984	10	40	JKCB	
O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1	16479745	LZGDBVOGEDYLTK-MTJSOVHGSA-N	493.522	5.697	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3-c3nc4ccccc4s3)c2C)cc1	25390483	QHJZGFQMLXGTLR-UHFFFAOYSA-N	496.588	6.419	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	26533730	IPJLKCVIONTONL-RJORLQLFSA-N	498.718	5.267	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4Cl)C(=O)N=C3O)o2)cc1	59137942	INDSYZTZGHUDOJ-LFIBNONCSA-N	473.337	6.553	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)cc1	106703027	YLHZYLXOCPCDMB-UUYOSTAYSA-N	470.516	6.658	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)C45CC6CC(CC(C6)C4)C5)C3=O)c[nH]c12	110422492	SNCIDZJFIWPVBN-UKWGHVSLSA-N	465.644	5.179	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)c(C)c1	260562540	ANYALEUWQCKRQE-RIMPEIONSA-N	491.657	6.009	10	40	JKCB	
COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408640256	IFKGFQGBJWRCFE-HXUWFJFHSA-N	452.510	5.632	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	408751934	ANLXSGXUALXWHU-CPNJWEJPSA-N	461.901	5.527	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1C	408796308	ABVZJTQYKDXTKS-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1	408805490	KRMZVWYRFZLXFM-HZHRSRAPSA-N	460.917	5.148	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)c1C	408873409	QQJJAEJEGHQEQI-RCCKNPSSSA-N	489.369	5.323	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc2ccccc2c1	408903511	YXWZWQJLHSAHLS-OVVQPSECSA-N	497.641	7.223	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	408916468	CTSLMPSLPKBLNH-ZDLGFXPLSA-N	488.371	5.371	10	40	JKCB	
Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409162332	UICJMTMSAVSLJK-AREMUKBSSA-N	486.622	6.850	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1	409223329	YYNMODSFZMWXNJ-KGENOOAVSA-N	493.382	5.575	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1C	2432737	ONYMVCUFMVSAHU-OYADDEIPSA-N	477.655	6.246	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2433192	HRCYYOSZZCDMHA-NLDZOOGBSA-N	499.541	6.142	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1	3373225	ZIGSZWCOLGYWHZ-UHFFFAOYSA-N	466.484	5.536	10	40	JKCB	
CCc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)n2)cc1	3376522	KOKYJIOHNZMWCE-UHFFFAOYSA-N	484.547	6.435	10	40	JKCB	
CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	5581074	NQIJMZSOWUXEOX-VWLOTQADSA-N	497.511	5.784	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)c1	8821268	PWMLDJJIZISIGO-IWIPYMOSSA-N	459.592	6.182	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCCCOc2ccccc2)SC(=S)N1c1ccccc1	8916032	VGVPHBVAXPIWHX-QJOMJCCJSA-N	492.578	5.849	10	40	JKCB	
O=c1oc2ccc(Br)cc2cc1-c1csc(NS(=O)(=O)c2ccccc2Cl)n1	12605552	MNDXGVVDGISILO-UHFFFAOYSA-N	497.779	5.133	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	13776580	HXTOXHUIZDYORX-RWIUGCMHSA-N	475.577	5.915	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl	16214904	BMWJWCAGBYWHAU-HMAPJEAMSA-N	474.047	6.462	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	33540505	VGIRKWGXWQFEST-HMCBYUHISA-N	473.989	5.723	10	40	JKCB	
O=C1N=C(Nc2cccc(C(=O)O)c2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	33665015	VPKLMBCVHDGYJM-QRVIBDJDSA-N	471.513	5.609	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	41082943	HDLPDBILJSARAS-ONAIEWRJSA-N	474.417	6.066	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=S)N=C3O)o2)cc1	59137817	RVWWEGJWNRIUCG-LDADJPATSA-N	499.411	6.173	10	40	JKCB	
Cc1ccc2c(c1NC(=O)CC13C[C@H]4C[C@@H](CC(Br)(C4)C1)C3)C(=O)c1ccccc1C2=O	102716764	IFDBKHKTJSCEST-FMRJCRTMSA-N	492.413	5.833	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113834657	GOJJBACAPNVYMY-CIAFOILYSA-N	466.515	5.719	10	40	JKCB	
O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1cccc2ccccc12	113836910	LFEOIEUOKYXJQA-XNTDXEJSSA-N	463.321	5.443	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21	208460735	YHUADTFZGHGCQA-XKZIYDEJSA-N	461.587	5.302	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c(C)c1	223231243	CVKDORBUBPYWBA-VPUSJEBWSA-N	475.706	5.339	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N(C)C)cc1	223499703	WRCDQASSTCNECD-KAYWLYCHSA-N	482.657	5.123	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1	225342645	ZRCNYNFJMJJXBB-IZLXSDGUSA-N	482.653	6.453	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1	408763267	OUIBDEDJGVUEAY-XMHGGMMESA-N	458.926	6.087	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)S2)cc1	408767620	NBRGVCBXQDWVEJ-DKOMQPSQSA-N	472.441	6.563	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(C)c3)C2=O)cc1	408805408	JWJCNLXOMGQNIN-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408819466	SKWLXOGETLATNT-DEDYPNTBSA-N	483.376	5.404	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F	408901362	DOFTXMPMQNHMDC-BUVRLJJBSA-N	458.583	6.543	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1OCC	409022218	JTITXBARKLZEJR-MOSHPQCFSA-N	469.965	5.713	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl	409044705	OVFQXWWRLNJKGB-GDNBJRDFSA-N	492.831	6.421	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409055014	HPTUJZOZFVZTGL-OQLLNIDSSA-N	498.160	5.211	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br	409345114	JWPYPQVXBFXFFT-MHWRWJLKSA-N	454.798	5.907	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1Br	1181491	MLUPSQKHGBRNFL-LFIBNONCSA-N	481.824	5.333	10	40	JKCB	
CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	1233963	GCJCLSRWUWNIIF-RGEXLXHISA-N	461.008	5.359	10	40	JKCB	
Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)c2c1	2079526	LOVQOOGOFBSKGN-UHFFFAOYSA-N	480.567	8.408	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)N1c1ccccc1	2315141	QPSAUERDHXFMQJ-MYYVYBLQSA-N	488.974	6.812	10	40	JKCB	
Cc1nc2ccc(/N=N/c3cc(C(=O)Nc4ccccc4N(C)C)c(O)c4ccccc34)cc2s1	4044747	AWRWMJBMYAXXPR-NVQSTNCTSA-N	481.581	7.197	10	40	JKCB	
O=C1/C(=C/NC[C@@H]2CCCO2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	8443938	HMKRYJBNMFBJNS-HZGBGQKMSA-N	485.034	5.097	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccccc1	8453162	RURBNILAGNDEPV-NCELDCMTSA-N	456.542	5.739	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)CC1	8789098	KVVZABZALBQVQD-UHFFFAOYSA-N	451.906	5.157	10	40	JKCB	biogenic
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)c1	8819180	UPWGJSSHVRNMRP-QGOAFFKASA-N	491.432	5.078	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1	8821764	YOTANAMQANXMMB-UUYOSTAYSA-N	478.957	6.008	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9089715	UIOCVXAKKKONAX-DSNGMDLFSA-N	498.376	5.472	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(CCOc4ccccc4)C3=O)c2)cc1	9188778	QXOPKFMLQYHIGL-ULJHMMPZSA-N	461.608	5.854	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1cccc(F)c1	14730509	AZDYKODAAKJINP-UHFFFAOYSA-N	482.511	5.127	10	40	JKCB	
COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1	15982211	BUZPDLPUPUXBNC-AWNIVKPZSA-N	455.457	5.143	10	40	JKCB	
COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccccc4)cnc4ccc(Cl)cc34)CC2)cc1	20382172	DNCYSNJQKDUVRT-UHFFFAOYSA-N	494.016	5.056	10	40	JKCB	
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1	20528732	PQRSLYZQFIJSQC-DHZHZOJOSA-N	483.362	5.206	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(C)cc1	33379936	ARCZCEKHZLQTDO-DCAHJCEHSA-N	481.577	5.887	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1C[C@H]1CCCO1	40006346	MRGNDDBJRLPGIE-QOYJSAPCSA-N	480.438	5.953	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850327	MDKCMSFMGNDDFU-DFXHWTJYSA-N	499.007	6.423	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc(F)cc1	59135441	PWKYDWPBEKEQKZ-LPYMAVHISA-N	484.443	5.244	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc2ccccc2c1	100525107	PNXZLHOGGYQOKF-ZPKNHPDFSA-N	490.386	6.601	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)cc1	102873255	HBRIMKMFLDBAPG-LGGPFLRQSA-N	455.577	7.301	10	40	JKCB	
Cc1ccccc1/N=N\c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1	104367102	MKDRTMKLHORKSV-LYJPHZJBSA-N	460.515	7.240	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	208323704	QXGOGUBMZWTERY-SUVVMJBMSA-N	452.595	6.483	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	222989332	KZGRMZSKUBZUBL-RPWUZVMVSA-N	462.619	5.048	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223494683	XDHRSVWTWGGOJW-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223764847	NXUMEQHGBJZUPY-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1F	224399150	SCPIZZVCBOBMGL-LOSJGSFVSA-N	460.553	5.944	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224604693	BFXFGNPFFFOSCI-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1	260914842	HOTRQZAHGANMMK-IZZNHLLZSA-N	470.642	5.899	10	40	JKCB	
CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(=O)O)n[nH]1	408631522	JYYXRDIOXAOKDF-MFOYZWKCSA-N	451.379	5.689	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	408756378	ROBYTBWTVVFGLB-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1C	408817103	VPZJBKDJXIJTSQ-OEAKJJBVSA-N	460.917	5.202	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Br)cc1	408841379	IPYSNQMMLBYDGY-XMHGGMMESA-N	478.302	5.200	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C	408853261	MRYXMBSNGOQFGK-UDWIEESQSA-N	496.394	5.938	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1ccccc1Cl	408868712	OCUHCIFTJYEQLP-FYJGNVAPSA-N	474.944	5.223	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1	408888296	YRXIHACYXUGZIL-WOJGMQOQSA-N	485.298	5.378	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	408915088	UMTXASFQQHFUIM-GIJQJNRQSA-N	472.303	5.206	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408947269	ZZJZHAXQAWZHFG-JJIBRWJFSA-N	480.951	6.514	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(C)cc1	409008398	XWYVTTMFPYOXQI-JAIQZWGSSA-N	492.460	5.956	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409021537	MGCNUNQIUMGJQL-UQQQWYQISA-N	483.564	5.850	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	409095142	HLPWHZJQDQMNAI-HAHDFKILSA-N	475.570	5.168	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	409182073	IFLLYVKTVLJHKH-BKUYFWCQSA-N	457.979	6.827	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1	409245797	ZEYRAZAEAAUBOD-LDADJPATSA-N	468.987	5.532	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)cc2)c1	409339196	FNDISDZGDUAILE-DEDYPNTBSA-N	466.609	5.182	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(Cl)c1O	409342171	AHTLVBSRAYVJFU-NSIKDUERSA-N	491.215	5.876	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC	409349564	QVRTYAOEJGLKOO-XSFVSMFZSA-N	458.561	5.578	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)c(C)n1-c1cccc(C(F)(F)F)c1	3357777	JNPVOKNDXPPPPJ-UHFFFAOYSA-N	483.442	5.717	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccccc1Cl	8763394	XYTJJAMSVMNLEK-MOSHPQCFSA-N	492.018	5.384	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccc(Cl)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	9308899	CHLPFJRWDPCCPG-QKDODKLFSA-N	497.978	5.761	10	40	JKCB	
CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccccc1O	9419117	RJECDERGMNGSGH-QFIPXVFZSA-N	471.944	5.642	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	9884844	QPDSSHJJXVWYJS-DWKHYPNZSA-N	487.546	5.373	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	13616181	VWZVHMZAOHZZFK-NDENLUEZSA-N	454.313	5.067	10	40	JKCB	
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)c1ccccc1	13940464	RTQMPVNYFCRYPZ-AABCQZNVSA-N	491.341	5.256	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1	16689195	SREOEJGGKYVFKM-XYGWBWBKSA-N	475.635	6.374	10	40	JKCB	
CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1	28290665	LKBBJJAJAAMDMV-NRFANRHFSA-N	466.025	6.199	10	40	JKCB	
Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3ccccc3)cc(-c3cccc4ccccc34)c12	28296518	VIVIPERHEFWNRZ-UHFFFAOYSA-N	486.596	7.723	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1C1CCCCC1	34261687	XFOGUUWYQGPFRT-QJOMJCCJSA-N	459.615	5.439	10	40	JKCB	
O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)o1	113836267	FFRZASCLVVSGEU-HYARGMPZSA-N	457.532	6.204	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223392495	KDKIQGZCCXAGML-RPBOFIJWSA-N	453.615	5.365	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271472	QQZCVUAILIYLEI-VMPREFPWSA-N	480.681	6.900	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224341756	QMWAMTGSOSHPEF-FTJBHMTQSA-N	467.642	5.932	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	224593484	BKNCYSUKIHTUBP-JWQCQUIFSA-N	456.615	5.596	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1	225503556	FQEVALZBGGECHP-IZLXSDGUSA-N	495.652	5.409	10	40	JKCB	
Nc1c(N=Nc2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	245240737	SEKGXFZFHGAXJW-FNOPQJNPSA-N	469.526	6.131	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2cccc(Br)c2)C1=O	408759868	NDKABYJRWYCWOU-DEDYPNTBSA-N	451.295	5.431	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1C	408778342	DXBIONJKIXZTJD-NLRVBDNBSA-N	491.616	5.901	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2Cl)cc1	408799333	KNEKPIFQNKJLEX-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C	408961933	VRSONUYAPULPLR-HZHRSRAPSA-N	471.626	5.413	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1	409075549	RPXLPQAWMYRFOW-MTJSOVHGSA-N	468.326	5.089	10	40	JKCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O	409102058	XRXPZIFLKJQJEF-MTJSOVHGSA-N	458.967	5.194	10	40	JKCB	
CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C1=O	409136619	SCDGSUVFYMTXJB-NDENLUEZSA-N	455.377	6.066	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1	409250971	ZBOCBIZVPFRPHC-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC	409330932	NNSJOKBMFJIBLK-MDBUFAAASA-N	467.534	6.297	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)SC1=S	409378817	RZUOMXFGWFEPQG-JYRVWZFOSA-N	460.827	6.068	10	40	JKCB	
O=C1/C(=C\c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccccc2F)N1c1ccccc1	2190056	LLVNVQLVKBFEKH-OQTDNQPYSA-N	472.519	6.298	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccc(Cl)c(Cl)c1	3287754	HOCPCLOJZTYAJL-UHFFFAOYSA-N	453.303	5.410	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12	6457498	TZTYMPKYDFCREG-NWMATVHUSA-N	487.894	5.524	10	40	JKCB	
CC(C)N1C(=O)/C(=C/Nc2cc(Cl)c(Cl)cc2Cl)C(=O)N(CCc2ccccc2)C1=O	8431335	SIYPEHLNHJGZBW-NTCAYCPXSA-N	480.779	5.385	10	40	JKCB	
Cc1cc2nc(N3C(=O)/C(=C/c4ccccc4[N+](=O)[O-])N=C3c3ccccc3)sc2cc1C	8894622	YCJJGMBQVNOYGR-ZHZULCJRSA-N	454.511	5.656	10	40	JKCB	
CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1	9158305	XGORKVVNUHPGHE-MRXNPFEDSA-N	451.519	5.150	10	40	JKCB	biogenic
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1	9188607	ILDVHZLDLPMEKT-IWIPYMOSSA-N	461.608	6.297	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9291300	CUKCFFRKRZHTTJ-QRPNVLAJSA-N	477.609	6.213	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1Cl	9293681	ZKHOCVHXXFTNNU-NGPDJBMTSA-N	465.888	5.237	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(F)cc2)cc1	20289020	XEPCKFGQXXGBMV-JCMHNJIXSA-N	458.518	5.581	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1	33737827	VPOGOHKHWHYMLF-SUJAKXCHSA-N	487.673	6.636	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)c1	33860562	YTYSEHHZLKOUIW-KDWNYNHASA-N	469.570	5.079	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1	33934349	BZXULBVPFIDXKD-SNCYIGMASA-N	483.597	5.355	10	40	JKCB	
Cn1c(=O)c(C(=O)C[C@@H](Nc2ccccc2Br)c2ccccc2O)c(O)c2ccccc21	104827488	RHZTVAHQEOJUKO-LJQANCHMSA-N	493.357	5.138	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccccc1	113830834	JSJJVESZOZSJHM-FYJGNVAPSA-N	455.963	6.464	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	223309683	QLZVUKYWGVHUIH-OYDLWJJNSA-N	467.038	5.294	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	223713561	GKMLKLYZYSBSOJ-ZEQRLZLVSA-N	499.080	5.292	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1ccccc1	223916507	BGPAFZYWLLCXJG-IZZNHLLZSA-N	453.615	5.424	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436338	GZIITSFHGNVATG-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	224481084	FVUQBSBWGSHOML-RPBOFIJWSA-N	475.017	6.020	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1	224521763	HOTRQZAHGANMMK-UIOOFZCWSA-N	470.642	5.899	10	40	JKCB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)cc2)C1	225691763	YPRFOUCBUSDWPG-QFIPXVFZSA-N	499.724	6.938	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2Cl)c(C)c1	408573174	IRMVOJOMCPXIGS-JAIQZWGSSA-N	475.035	5.584	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2Cl)c1	408805869	LYICQMSFPSPLSN-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(Cc2cc(C)cc(C)c2)c1	408873306	SOCGTQHGDXKRLJ-ZVHZXABRSA-N	488.971	5.531	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	408905191	UXKYLFWMKCFTMU-HYARGMPZSA-N	492.329	5.742	10	40	JKCB	
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(Br)cc3)N2[C@H]1c1ccc(N(C)C)cc1	408987168	DWIDMQYCCRAIHU-QFIPXVFZSA-N	498.446	5.810	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409132985	PUNLLCXWRCNWAZ-KQWNVCNZSA-N	461.543	5.671	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409168887	OFIOFGCKDFEYTD-DFIYOIEZSA-N	462.387	6.960	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1	409178261	KCRDWZGJRQFCGE-JLPGSUDCSA-N	483.618	5.544	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409247563	DILJDIDUTBZOOS-HMAPJEAMSA-N	473.891	5.149	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1	409250148	MLPKLTLQPNDGEV-HYARGMPZSA-N	463.921	5.022	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1	409345224	KPGWWYOQWANMLE-MFKUBSTISA-N	489.065	7.366	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	1669966	VYAUALQNJWTMTL-BYUJNSPJSA-N	459.548	5.820	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1	2280903	DUVMYDSWMOJUFK-AQTBWJFISA-N	479.454	6.176	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)O)cc2)N3)cc1	4647408	MWEYHDKJOXNCAC-UMFSSWHCSA-N	490.581	5.411	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2ccccc12	8857618	FDANBRBIYASLCV-LTGZKZEYSA-N	466.653	6.302	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c(C)c1	8974093	LOHIVERMQMYJJK-UHFFFAOYSA-N	469.562	6.489	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)c1C	9233474	MKFQXJBGWCKAJB-ALLGYFEPSA-N	499.596	5.109	10	40	JKCB	
COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccc(C)cc2)cc1OC	9281310	RRCIRSJIORLBHJ-OAQYLSRUSA-N	450.922	5.363	10	40	JKCB	
O=C(COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccccc1	9310453	TWRMRZNMAMIHAV-PXLXIMEGSA-N	460.580	5.106	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccccc1Cl	13810771	DPEWCTVONNTOLR-XGCFFSCVSA-N	458.974	6.052	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	15162996	WDBJJXLNDUZKFB-DRLORSAXSA-N	478.375	6.860	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S	16729729	CFXJTFARHCDWTB-HYTQYMIGSA-N	476.652	6.149	10	40	JKCB	
CCCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1	20035291	XDDCMKQSWJESHU-AQTBWJFISA-N	476.451	5.009	10	40	JKCB	
CCCCCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC	34856454	FCHCUBFIUIOZAK-QNGOZBTKSA-N	485.422	6.613	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2	58846111	GIKMAOPKIVHUFW-QHWMMSMNSA-N	460.599	5.885	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847255	DRFWSIRZFGHQPV-LZCXECNNSA-N	481.017	6.366	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=S)N=C3O)c2C)c1	59198539	HNZNTCQVGVRSBP-FYJGNVAPSA-N	494.414	5.837	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1	98087014	WNRVSDGFQCLGJM-JMIUGGIZSA-N	471.893	5.982	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	102955437	PRLJSRVZWIPGCE-VBHSOAQHSA-N	465.185	6.055	10	40	JKCB	
COc1cc(-c2ccc(/N=N\c3ccc(N)nc3N)c(OC)c2)ccc1/N=N\c1ccc(N)nc1N	104231574	CHFBVODDBJMLEE-WANSBIPISA-N	484.524	5.320	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222924063	WIVRWTMLCWSYMF-GOTSBHOMSA-N	473.473	6.424	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1	224435418	CAKOXMYBTZNNHZ-SVBPBHIXSA-N	485.632	5.871	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(F)c1	224464190	NILGWNJGBORCTO-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225017948	BVZITTYEUJVOGX-NSOVKSMOSA-N	487.717	6.250	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	260572603	XEKJZGNAELDFAB-SUVVMJBMSA-N	469.050	7.077	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2cccc(Br)c2)cc1	408764231	SMDGTUSIVNSTDU-FYJGNVAPSA-N	493.357	5.309	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(C)c4)ccc4ccccc34)C2=O)cc1	408805082	DJBFAWCOLBNISW-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2cccc(Cl)c2)c1	408806854	BZMUHSHVJZHRRI-YDZHTSKRSA-N	490.943	5.211	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2cccc3ccccc23)C(=O)N1c1cccc(Br)c1	408842471	OAKWIKYROUWRRP-LFVJCYFKSA-N	483.365	6.445	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2)cc1	408942160	XWBVQFFRXQCJCT-STZFKDTASA-N	460.917	5.202	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408960222	JVRYYWSKLSWGFL-UHFFFAOYSA-N	467.594	5.344	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408990749	YLHBTKHVGDYIDL-UQQQWYQISA-N	469.585	5.620	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	409000057	WWKCDWSVHYOXCK-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409162885	JAFYMWXKEFHRLU-FMTVUPSXSA-N	464.743	5.644	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c1	409240633	LONQINXKDLMGTN-LDADJPATSA-N	481.371	5.157	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1Cl	409328640	ZGHAJFPVEWPVPH-CXUHLZMHSA-N	486.373	5.480	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)cc1	409339282	GUUQEUCPZHQVPN-NDENLUEZSA-N	485.970	6.103	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)cc1C	409342033	DKTZTIWZVLOQFL-WPWMEQJKSA-N	481.642	7.441	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1	409347187	NAIGJYVSIWAXTA-FMCGGJTJSA-N	479.001	6.888	10	40	JKCB	
O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	2119817	WPPJQULDWRJLAO-AUWJEWJLSA-N	462.287	6.013	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c1C	3321311	CEVILOZUYQEDPB-UHFFFAOYSA-N	454.954	5.355	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3429236	QCASZZICKFHELM-CQSZACIVSA-N	454.300	6.653	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(Cc5ccccc5)c4C)C(=O)N=C3S2)c1	9345374	ZLURJPASUKCQIK-YNRWKYOSSA-N	483.597	5.160	10	40	JKCB	
Cc1sc2ncnc(S[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c2c1C	9612525	NLMJBVABDOEFHV-AWEZNQCLSA-N	473.579	5.203	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	9680424	WIMHTEKHMOMIOI-XVCGDLFISA-N	485.613	5.756	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC(=O)c1cccs1	9720767	BOZFJIJMMPOGST-LDADJPATSA-N	466.946	5.826	10	40	JKCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnc(-c2oc3ccccc3c2C)o1	12813241	WUNZADRIDYYINW-UHFFFAOYSA-N	474.542	5.738	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16001175	BXBSTSZOBINBLD-CCDWMCETSA-N	471.915	5.502	10	40	JKCB	
COc1ccc2[nH]cc(CCN/C(C)=C3\C(=O)N(c4ccc(F)cc4)N=C3c3ccccc3)c2c1	20288125	FOLWQULQAZZXRL-ITYLOYPMSA-N	468.532	5.173	10	40	JKCB	
Cc1cc(C)cc(OCCOc2cccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)c1	32109552	MUSWZTWEHJLEJQ-SMKDVUIYSA-N	462.575	5.036	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c2ccccc12	33149481	VJAMQFRXKVBVJF-RVDMUPIBSA-N	457.338	5.827	10	40	JKCB	
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc12	33725235	QOPQCGNRTSUYIU-BUVRLJJBSA-N	484.939	5.542	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	33776751	JIPWLLOKSFCCBE-NDENLUEZSA-N	473.356	6.794	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C(C)C)cc3)cc2[C@H]2C=CC[C@H]21	58846798	WKBDLKFSDVAKSV-JWZKTCGFSA-N	474.626	6.446	10	40	JKCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCOC(=O)Nc1ccc(Cl)c(Cl)c1	100113968	ATFUJZCLVXDASJ-GHRIWEEISA-N	479.339	5.357	10	40	JKCB	
CCCCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl	101114103	ZIUITFCQIKSDKL-CPNJWEJPSA-N	490.785	5.778	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	214061293	QQYGSVQYXIHUSK-OEAKJJBVSA-N	466.990	6.383	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223422475	WWXGCHJQKGDWDX-SVBPBHIXSA-N	484.625	5.376	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(C)c3C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223610619	WQOFUKVKAPLXAZ-WQZUMXOESA-N	473.617	5.779	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223879455	SXOFWCJCCBOXLX-FTJBHMTQSA-N	498.608	5.158	10	40	JKCB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)C1	225690710	YFBQKEINMSIWIG-NRFANRHFSA-N	461.700	6.702	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1C	408577074	RDWRKCSUMVPANK-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1	408776926	SFBJBXRYLUGSNN-XIEYBQDHSA-N	477.520	5.128	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4Cl)c3C)S2)cc1	408778684	WMHLZRRAQUZVBH-SCRHHBKZSA-N	496.032	5.696	10	40	JKCB	
O=C1C(=Cc2ccccc2OCc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408880110	DGKNWGNKGAKMFZ-UHFFFAOYSA-N	490.584	6.014	10	40	JKCB	
Cc1cccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C	409075962	ZKCHIKUJPKMBRW-FOWTUZBSSA-N	454.313	5.067	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)c1	409223240	DUQZHWFZGMIJSR-BOPFTXTBSA-N	471.365	5.702	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O	409237706	BHJWHRSFVAHTFB-JJIBRWJFSA-N	479.536	5.312	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1	1854773	MLWZMAGYAMVCLA-LWZSUBOQSA-N	476.545	5.882	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3ccc(Cl)c(Cl)c3)c2C1	2512756	PXCKDNVAAQPUGU-UHFFFAOYSA-N	463.202	7.369	10	40	JKCB	
Cc1cc(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)ccc1Br	9139672	SDVGNOLOHCVBND-UHFFFAOYSA-N	454.707	5.439	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	10130645	OSCNZUZQFHZQJE-WQRHYEAKSA-N	478.979	5.447	10	40	JKCB	
CCCOC(=O)c1sc2nc(-c3ccc(C)cc3)cc(-c3ccc(OC)c(OC)c3)c2c1N	12250044	AGYKAVHIULTPOB-UHFFFAOYSA-N	462.571	6.105	10	40	JKCB	
COc1ccc(Nc2cc(N3C[C@H](C)O[C@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	13785544	BTTDGFPIGQIHLD-IYBDPMFKSA-N	455.514	5.405	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	13809997	BLBLDWPJJWBWBX-IHRLJDSVSA-N	466.349	6.558	10	40	JKCB	
S=C(S)n1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1-c1ccccc1	17129921	LZMSDVJASPPXKU-OCOZRVBESA-N	479.428	7.458	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1[N+](=O)[O-]	27018202	IVIOMYKSTVTNKS-MTJSOVHGSA-N	494.598	5.313	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C(O)=NC(=S)N1c1ccccc1	33774003	SFDJBWINWOZHKA-LFVJCYFKSA-N	482.536	6.230	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1Cc1ccccc1	34388293	KFWDTZXKPADZMI-XQNSMLJCSA-N	453.592	5.941	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59859968	ZADFYSKJSWTCIC-LSHDLFTRSA-N	470.525	5.390	10	40	JKCB	
O=[N+]([O-])c1ccccc1NCC[n+]1c(-c2ccc(Cl)cc2Cl)csc1Nc1ccccc1	65090453	QKFHVYHQROAPEO-UHFFFAOYSA-O	486.404	6.773	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208191933	BEQIBFFWPVLJPC-JFENUBAZSA-N	460.430	6.798	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222950499	YPYALPQAWABVTP-GOTSBHOMSA-N	472.580	6.281	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c(C)c1	223502098	BBDJSRBVKXTQDM-XTEPFMGCSA-N	481.669	5.982	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224201729	HZFNOCOFZZDPRP-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1F	224902465	YSENLLOTBKGYCT-IAPPQJPRSA-N	484.644	6.731	10	40	JKCB	
Clc1ccccc1COc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	408736090	DXJAXAIDIMWCEV-UFRMOSHKSA-N	480.007	8.538	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)S2)cc1	408783362	ODWYRDGZCNFHHY-DNQIBQKISA-N	472.441	6.563	10	40	JKCB	
CC[C@@H](C)Oc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	408902024	JXGAGECPQUAXNG-OTGIAGGSSA-N	478.433	6.041	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409015790	BGBPDNLQIYUYOL-QQXSKIMKSA-N	468.597	5.892	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl	409018271	SVDPFMRUMLBKRG-GDNBJRDFSA-N	456.247	5.889	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	409052361	CWHMEBWMNLMKQA-HMAPJEAMSA-N	476.960	5.633	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1cccc(Cl)c1	409328473	VYEYAHHPJFITMD-MFKUBSTISA-N	488.033	7.478	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409333632	UYEBUWCHOMMGJY-MFKUBSTISA-N	498.585	6.733	10	40	JKCB	
C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(OC(F)(F)F)cc3)c2C1	3135184	HBIZVGSJUREYCJ-ZDUSSCGKSA-N	464.281	6.570	10	40	JKCB	
COCCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2cc(Cl)ccc2c1=O	3493968	MJNVZJMECQUIKH-UHFFFAOYSA-N	482.005	5.079	10	40	JKCB	
O=C1c2c(O)ccc(Nc3ccc(/N=N/c4ccccc4)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21	4830754	OUOHWIKRLUYCTJ-ZQHSETAFSA-N	480.436	5.940	10	40	JKCB	
CCN(CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccc(F)cc1	8602904	IUQXIOUBUALYAC-VWLOTQADSA-N	480.027	7.464	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1	9158567	SEHYQXFYBYKUPL-CYYGTTGMSA-N	465.648	5.937	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc2ccccc2c1	9311288	IHGXYENLXIGNLP-NCELDCMTSA-N	484.511	7.479	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(Br)cc2)C1=O)=C\c1ccccc1	9444428	XIPSSBHMPRFYBM-UJUKKVGJSA-N	473.417	5.235	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	9884790	VPYGCSKRCYSMCT-GQEMFKIVSA-N	455.944	5.627	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1	12445181	YQCOIEHDHIINKB-BOPFTXTBSA-N	479.876	5.629	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1	13713785	MHBUWPYRJXQSRT-JCMHNJIXSA-N	479.696	6.651	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c1C	15227587	VFALVIPXERKTHE-ZVPJYGFCSA-N	499.596	5.109	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl	16196095	PXGZFOCIBQDJGU-KGENOOAVSA-N	481.982	5.974	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3Cl)C(=O)N=C2O)cc1	17058851	ILWTXUSDLMJJND-VJWQYWRGSA-N	491.975	5.605	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	35039189	MOPUBDZYXPIVNI-NLRVBDNBSA-N	473.663	7.322	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1F	40006371	PTVNLTFKKXKIPD-FPJJECCMSA-N	473.591	5.184	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58845604	SVJOLZLHDFRBQF-UZINWLIJSA-N	462.571	5.331	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58848020	SXYSDKGNWNVBLJ-BPYKYCOYSA-N	485.436	6.929	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1	58850217	SYGPJQCZGAHYBQ-UNVFRBQDSA-N	483.008	6.723	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c(Br)c1	59106191	DZIFFLKQLPTZGC-BOPFTXTBSA-N	469.266	5.663	10	40	JKCB	
COc1cccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OC(C)C	96115078	FUGUXEPADIKDCN-KRWDZBQOSA-N	488.492	5.108	10	40	JKCB	biogenic
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc45)c3)SC2=S)cc1	113834492	ZYIDIPVRACTVNL-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2C(=O)O)o1	208525412	JOPQDDFMPFAFJO-MHWRWJLKSA-N	485.279	5.456	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Br)c1	222830456	IREAFWKPZPEAMD-VXKWHMMOSA-N	469.452	5.633	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926831	RIYISQIBNHKAFP-RPWUZVMVSA-N	462.619	5.124	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1	224465765	JHTZPXAYFTZSDS-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224529685	PXWRWYZTADTBIN-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224565846	JCIMUFGVMTUVAL-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1	224868296	WIYPKZCDRHGQJT-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1	408803912	UROLZPDUAIRFKC-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(C)c(C)c4)ccc4ccccc34)C2=O)cc1	408806433	JFTCUEGUSPSIGP-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)c(OC)c1	408846766	YYVFAYDQIXZJEW-HYARGMPZSA-N	477.358	5.609	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1cccc(F)c1	408884488	UPJBDTXZGSHYGT-CIAFOILYSA-N	478.907	5.053	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12	408904481	KEWBSSNXCVHGIU-KOEQRZSOSA-N	462.505	5.923	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408977531	WMRPMNIMQIBBEJ-ITYLOYPMSA-N	469.537	5.542	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409011852	OIXCIMLSWVSVFK-JCMHNJIXSA-N	460.961	5.620	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1C1CCCCC1	409339681	KMWINYUUWKMGRI-UQQQWYQISA-N	459.636	6.953	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	2450144	RCBSKFGSQDRGLD-ISJGIBHGSA-N	453.925	5.362	10	40	JKCB	
Cc1c(O)ccc(/N=N/c2cc(C(=O)Nc3ccccc3N(C)C)c(O)c3ccccc23)c1C	4107489	NLUCYJZWQRITHQ-QVIHXGFCSA-N	454.530	6.602	10	40	JKCB	
Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820127	CIWWQIVZGVMXDH-HKWRFOASSA-N	459.036	6.049	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccccc1Cl	8872213	UZOHZWGSROMXMP-CAPFRKAQSA-N	468.896	6.980	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccc(F)cc1	9296640	JIESEISPMTYPKT-UDWIEESQSA-N	469.946	6.104	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1	9309757	OQEXKWZGMYGICR-ITCQOWKOSA-N	473.646	6.382	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	12761841	BEBFHDHGMMLDMW-MUUNZHRXSA-N	485.971	5.551	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1OC	19879067	ISISDBIAAGQCDP-WOJGMQOQSA-N	454.400	5.455	10	40	JKCB	
CN(C)c1ccc([C@@H]2S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	32594784	LMYUTDWZABKBCH-FCKOQQNDSA-N	455.410	6.879	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/SC(=S)N(c4cc(C(=O)O)ccc4C)C3=O)c2)cc1	35039329	XUXORFVDNUCHFN-YDZHTSKRSA-N	475.591	5.986	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc(Cl)c1	59418127	LSJUWGQBXUDXAS-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1	59862157	VNBAXPBHYUFZIY-AFUMVMLFSA-N	470.569	6.060	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1	100525126	XTMIGRNNAPGXJU-DUPNKOKHSA-N	485.323	5.356	10	40	JKCB	
CCCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl	101114055	VBSOTPPRBXPGGA-LDADJPATSA-N	476.758	5.388	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=C1\SC(=S)N(c3ccccc3)C1=O)N2CC	101955874	AJFOMUSNSZTFHI-BILXGNRESA-N	479.627	5.320	10	40	JKCB	
C/C(Nc1ccccc1OC(F)(F)F)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103921379	VDLWDDOECQEYTM-QNGOZBTKSA-N	494.498	6.332	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)c1	224240266	BTEPZXYVNAVPDC-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)nc1	224373987	VBZLOIQFXCBEGX-IZLXSDGUSA-N	481.669	6.493	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl	224956708	FTEWVWXPEYPFJJ-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	408829856	MIUBCSBDZAZBEJ-TYILLQQXSA-N	465.185	6.055	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\N=C(c3sc4c(Cl)c(OC)ccc4c3Cl)OC2=O)cc1	408968660	ATFJQAHUQHAIKP-VBKFSLOCSA-N	475.397	6.407	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409009767	BUTASZBUHGLLFM-OYKKKHCWSA-N	460.961	5.933	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)NC1=S	409071811	LNCCUJYRCHZTKJ-HMMYKYKNSA-N	476.001	5.233	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409075216	PVGFMAKTWZAZEY-DEDYPNTBSA-N	487.364	5.567	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409137072	ZWJLWAUPEMRYHO-XYGWBWBKSA-N	476.667	7.136	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S)c1ccccc1	409180389	RWGZITLURLXFHH-UCQKPKSFSA-N	487.581	5.375	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1	409329640	GPHNQXWXLAKZMT-UCQKPKSFSA-N	488.546	6.422	10	40	JKCB	
O=C1/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(O)=NC(=S)N1c1cccc(F)c1	661265	KZIBUPZZAYHOAS-LDADJPATSA-N	459.424	5.307	10	40	JKCB	
Cc1ccc(Cn2c(-c3ccc(F)cc3)cnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	1329571	WZZNLAWTGLNQLY-UHFFFAOYSA-N	476.533	5.685	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4ccc(Cl)cc4Cl)n[nH]3)c2C)cc1	2625711	IAUWBZOUKXRIOY-UHFFFAOYSA-N	487.412	6.170	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5cccc(C(F)(F)F)c5)CC4)=NC3=O)o2)cc1	9161032	DPWUOIYKZRJREM-XQNSMLJCSA-N	497.542	6.066	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9293234	AICHSUSNKDPPIL-VOSUIAOHSA-N	499.562	6.312	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	9334001	DUBKKVQJUXFYQV-RWYGKYMDSA-N	471.586	5.366	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O	11859673	DVOOBCNIQIQIQV-JOEZZVDMSA-N	462.518	5.492	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S	12274911	PDFVMWZZBHVPCN-CLXYIWAZSA-N	460.533	5.008	10	40	JKCB	
COc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC	13146269	QFXWDYRNLMXTFW-UHFFFAOYSA-N	462.329	5.458	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc(OC)c1OC	13898863	FOMQHARGWKIWQE-BKUYFWCQSA-N	495.000	5.944	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	16545044	RSUTZEOEGUORSK-VYKTZEHYSA-N	487.024	7.121	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1	18194720	JWRBVJPTVVACJK-DIBXZPPDSA-N	490.559	6.117	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(O)=NC2=S)cc1	33657693	WKJPCAZMIRZLGY-JCMHNJIXSA-N	488.012	5.883	10	40	JKCB	
Cc1cccc([C@H]2c3ccc(O)c(O)c3O[C@@]34NC(=S)N[C@@H](c5cccc(C)c5)[C@H]3CCC[C@H]24)c1	33821800	MOKMXDVHASCMMM-XNIAFWOFSA-N	486.637	5.571	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	41108346	OLXUCJIRWHIODS-JHKOBTARSA-N	483.597	5.409	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	58848936	LUAGIIVEYUGDDM-ANSQWYIGSA-N	462.571	5.331	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cc(C(=O)O)ccc1Cl	59135341	IABMDPJYUILQDK-VCHYOVAHSA-N	481.867	5.092	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)c1	59198232	XWRSIQOXHNFKNO-FYJGNVAPSA-N	492.373	5.980	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O	68680722	MVBIHCJQEIQAFN-YBEGLDIGSA-N	461.736	5.653	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	107879705	HQWJFWSPXMQNCT-YVLHZVERSA-N	473.743	5.687	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223344498	QNSHOGGRQRGHGY-IZZNHLLZSA-N	456.615	5.817	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223405858	LKCOPMZVBMUBCQ-SVBPBHIXSA-N	496.636	5.448	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C	223419923	KLTNPNYYHZOQKU-URLMMPGGSA-N	496.680	6.233	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223863974	KYWNCCDCCNGWQR-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224236337	UECLVPHKZASDJJ-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224238442	XHBHZPIWQQBMMK-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224568809	BNBFFWKNYNAXPE-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224867948	KTIVIOJEBXTLOC-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC(=S)N1C1CCCCC1	408726906	NSZRNBHZVXHPTK-USPLRNBBSA-N	473.623	7.495	10	40	JKCB	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2	408736625	XVSSSGZDUUOSOX-LQWHRVPQSA-N	461.368	5.612	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)ccc1Br	408759088	XQMKXBBXIIRIQA-XSFVSMFZSA-N	477.314	5.216	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408761314	IHZXRDWOIQEYBO-HYARGMPZSA-N	480.793	6.003	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)S2)cc1	408781017	PXCUKCNWRLZYMQ-YNMQQHPQSA-N	453.611	6.409	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	408842627	PCHCVHJNOMQFEC-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1ccccc1F	408885407	ZIISUSOXTNOQPX-CPNJWEJPSA-N	478.907	5.135	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O	408949428	IBITVLJTZCUEMW-SSDVNMTOSA-N	476.960	5.180	10	40	JKCB	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1	409000413	SVUBESJDLURTTR-LDADJPATSA-N	472.136	5.639	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCC(C)C	409035594	JLFWSSHBNJLIHB-NTUHNPAUSA-N	454.395	5.232	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	409066728	BHYOZYQKPADADX-XDHOZWIPSA-N	487.364	5.567	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409216078	HTNAQJFIJLLGLY-QQXSKIMKSA-N	485.008	7.655	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409331662	OEBGARIUIRAADY-VGOFMYFVSA-N	455.742	5.417	10	40	JKCB	
COc1cc(OC)c(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1Cl	2120584	XHLQTFYIFNOZPM-UHFFFAOYSA-N	491.971	6.028	10	40	JKCB	biogenic
CC1=CC(C)(C)N(C)c2ccc(C(c3ccccc3)c3ccc4c(c3)C(C)=CC(C)(C)N4C)cc21	4552118	DYEPMDSJNIXHHO-UHFFFAOYSA-N	462.681	8.130	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1cccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1	8494973	JIURSOGDLOUSPY-UIDAZFDZSA-N	490.629	5.933	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1	9075949	RRGNPUHOAMNUIZ-JTMDUIFQSA-N	459.458	5.035	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1cccc(Br)c1	9170518	QPBIJCIODGKORW-BOPFTXTBSA-N	455.239	5.355	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1	9262433	PGDUVCCFUSYIGX-STZFKDTASA-N	464.930	5.166	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	9296260	DDFHZFZFMAFOHF-VBNMEBLOSA-N	463.983	5.438	10	40	JKCB	
CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	9553492	FFBBDJKLWUSMJV-OCOZRVBESA-N	494.455	6.432	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	9762331	JIIDAWUYZDMANP-NHDPSOOVSA-N	489.449	6.815	10	40	JKCB	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)N=C2O)cc1OCC	10060008	HEIRDDMAIHVMIC-HMMYKYKNSA-N	452.507	5.170	10	40	JKCB	
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1C	12641266	SLFBMSKQGDOXJM-KRWDZBQOSA-N	472.488	5.271	10	40	JKCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12	16544889	JAZDOAGNZQBLSY-RGEXLXHISA-N	486.325	5.334	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	16733784	FKHAVZJJRLWZAK-PGMHBOJBSA-N	459.633	5.802	10	40	JKCB	
Cc1ccc(C)c(OCCOc2cccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)c1	41083297	LVIKUCIPFOHMQC-NKFJNAIASA-N	462.575	5.036	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c1	59135405	CAZWQMBJUUOTBD-GZTJUZNOSA-N	468.824	5.032	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224299333	YDYKDEWJQCEKQP-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	224571145	GFHJFEQGLYZQHK-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	224573666	OGWAYBKSXMUZLI-IZZNHLLZSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608739	WKCIDWOORMGXGZ-CLJLJLNGSA-N	498.608	5.378	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224837232	MPNCCTMYCUYMPT-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260564984	GGCGXQOWAUPKGC-RVZJCZPVSA-N	498.048	5.292	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OC	408540009	LRSOGANCYXYQRA-JXAWBTAJSA-N	470.953	5.283	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Br)cc1	408843794	NUILDRKKVNFKQD-XSFVSMFZSA-N	478.302	5.200	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cc1ccccc1	408853186	ZJBJBIBLOGYUKA-NBVRZTHBSA-N	497.403	5.424	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC1=S	409007803	RSNDABNHWAGAIG-IUXPMGMMSA-N	458.819	6.447	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409106379	LTIOZQBUMIPOEJ-DJKKODMXSA-N	460.748	6.152	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	409179456	OGGJQVFQXTUROA-VXLYETTFSA-N	490.921	6.062	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3ccc4ccccc4n23)c(C)n1-c1cc(Cl)ccc1Cl	630394	BJEIUGAIHTXYEF-UHFFFAOYSA-N	481.408	6.572	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(-c2ccccc2)cc1	2262601	DZZVXVTZTBUJBA-QJOMJCCJSA-N	493.053	6.627	10	40	JKCB	
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	2288558	NWHUJYZBVKNADM-LPYMAVHISA-N	489.453	5.375	10	40	JKCB	
Cc1cc(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(C)n1-c1ccc(OC(F)F)cc1	3358288	TVXCFNJBTLBNJW-UHFFFAOYSA-N	482.508	5.240	10	40	JKCB	
Cc1ccc(Nc2ccc(Br)c3c2C(=O)c2ccccc2C3=O)c(Br)c1	6195176	ZSQXFWMZQARPOE-UHFFFAOYSA-N	471.148	6.039	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1	6481621	GCSUYAZIWJHPAJ-JJIBRWJFSA-N	463.647	5.784	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	8819688	ZGASNLGATBLLEH-PGMHBOJBSA-N	452.601	5.290	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	8821362	NJSQGTBUACAMSG-UQQQWYQISA-N	494.081	7.667	10	40	JKCB	
COC(=O)C1=C(/C=C/c2ccccc2OC)N(CCc2ccccc2)C(=O)/C1=C/c1ccccc1OC	8856805	ZPZBRQGFKISANF-QMDCCLICSA-N	495.575	5.313	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2Sc3ccccc3N12	9237238	NGZVFNSMCXKWOS-VOKYQHOCSA-N	487.580	6.039	10	40	JKCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	10113593	WZXQQVWLGXSVCT-LJAQVGFWSA-N	485.653	5.034	10	40	JKCB	
COc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)o2)cc1	20324530	WAJLUHMPCBTCNS-PDGQHHTCSA-N	499.342	5.709	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1	33618496	GNKZONCODQCWNN-IPSRHDBUSA-N	451.621	5.547	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	35040032	AEWHVFBIJZIXIA-HAHDFKILSA-N	478.595	6.912	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12	41076725	CDGSOJNHSJBDJZ-MQIWZSEOSA-N	480.596	5.675	10	40	JKCB	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1	44085651	DFCJYFVRFGMPDT-UHFFFAOYSA-N	450.789	5.717	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58848127	FYTRZAZPHHVAIN-BPYKYCOYSA-N	485.436	6.929	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1	58848581	WXOMMJFRYYGMAF-PPJWLVRDSA-N	481.017	6.366	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1	215194731	ABIDOTFKZJPBHJ-CPNJWEJPSA-N	492.382	5.374	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223425534	HGCYSYRORFMTCB-PXJZQJOASA-N	496.680	6.287	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cc(Cl)ccc1O	223528962	WIEKLFZYCFHRQH-RPBOFIJWSA-N	490.032	5.416	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	224353044	XGPCPTORIIOTHF-SXOMAYOGSA-N	468.626	5.929	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(Cl)cc1	408803178	MBSNJYVOHHEGGW-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OCC	408866343	FCLHCBLWMHZGDG-UHFFFAOYSA-N	456.498	5.067	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408903413	XJSIUPBGRDJWIV-HYARGMPZSA-N	482.026	6.642	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)c(Br)c1	408938651	LKMDAOHTDHOOFY-OEAKJJBVSA-N	475.386	6.451	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	409040950	ZFLMNNLEKIWFNN-VCHYOVAHSA-N	473.445	6.213	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409058713	KNZCFWYTYXWYAY-KQWNVCNZSA-N	485.536	5.160	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)SC1=S	409145435	QDBIPQAVCSDUBJ-WQRHYEAKSA-N	479.465	5.321	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@H](C)CC	409329279	DDOPEIAENWIHMZ-RBFBNPFJSA-N	482.454	6.975	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409331842	OOEWLGBQBCJSJS-SSDVNMTOSA-N	465.527	5.539	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Br)c1OC	409343393	GUJVEZCXRNMUSN-BOPFTXTBSA-N	480.405	5.271	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OCC)cc3Br)SC2=S)cc1	409345319	LCABSKBTVXLUAP-ODLFYWEKSA-N	494.432	5.661	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)c(C)c1	409350453	XUGTZYOYNCSWBO-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	681130	OUHOFOFJRNDQPA-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	843229	CTMLYSGMTYVYFH-ZDLGFXPLSA-N	488.758	5.721	10	40	JKCB	
COc1ccccc1-c1cc(C(F)(F)F)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1	1384280	HJMGIBUVLUFRFU-UHFFFAOYSA-N	468.504	6.560	10	40	JKCB	
O=C1c2ccccc2-c2nc(-c3ccc(S(=O)(=O)O)cc3)nc3ccc(NCc4ccccc4)c1c23	3144461	USMZPVUWRIPURY-UHFFFAOYSA-N	493.544	5.367	10	40	JKCB	
Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)c(C)c1	4017483	VZDKQEMOSBIJFB-HCJTVDPMSA-N	490.819	5.787	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1	4124721	GCDYEUJHEFPGOY-LJAQVGFWSA-N	450.538	5.102	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1	9972810	YUEQLFRMLZABOT-HMAPJEAMSA-N	484.042	6.692	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1cccc(C(F)(F)F)c1	15945522	RBKXTJIGYUFMLP-WQRHYEAKSA-N	469.506	5.003	10	40	JKCB	
COC1=C(c2ccccc2)SC2=NC(c3ccccc3)=CC(=Cc3ccc4ccccc4[n+]3C)N21	16248984	ARMRIRLBGHENIB-UHFFFAOYSA-N	474.609	6.437	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCOc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2	19370888	FZQUOGKQOBDCFB-MHZLTWQESA-N	494.651	6.533	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	20287637	LYCXSTGJVQTFLG-XYGWBWBKSA-N	493.922	5.923	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cccc(Br)c2)cc1	20289013	LGOLICFKWFSAIB-JCMHNJIXSA-N	480.337	5.734	10	40	JKCB	
CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1	20289091	IHFSLUSNDJYXBY-ULJHMMPZSA-N	456.502	5.303	10	40	JKCB	
COC(=O)C1=C(/C=C/c2ccccc2OC)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1OC	22709610	RHKBERKRLMEOOF-QJRLKQHFSA-N	473.569	5.403	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	30855845	JIAXMLIBHLQVPB-KUYAPCGNSA-N	476.901	5.812	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCCOc1c(/C=C2\SC(=S)N(C)C2=O)cccc1OC	33430256	FSZMNUHHPFUXIM-DBZAVIBRSA-N	471.644	5.888	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(c3ccco3)=NN12	41076788	KXGXDTHOAUOCPO-FYJHPUIUSA-N	485.956	5.603	10	40	JKCB	
O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58846900	KFZOWLKDRWVFCC-FVXXUCQHSA-N	496.607	7.120	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58849822	BRKUAIDVERUKCN-ASHZAFPQSA-N	490.581	5.360	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	59135366	SLPNGZBWFMAXRV-VCHYOVAHSA-N	482.855	5.302	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3cccc4ccccc34)C(=O)N(c3ccc(C)cc3)C2=S)cc1	59484929	PCVZUUQPKRDNOG-UHFFFAOYSA-N	462.574	6.205	10	40	JKCB	
COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1O	85878035	IQSZJPNLRDOTGY-UHFFFAOYSA-N	475.501	5.312	10	40	JKCB	biogenic
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CN(CC(C)C)CC(C)C)c2ccccc12	101635726	GZXWJYNWRRJDHB-CMCQIJKVSA-N	486.660	5.422	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	223254976	CTSKIAPQVNVTTD-XZOQPEGZSA-N	487.595	5.042	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313897	KXOIFSWVHFPMMS-OWAUWMPXSA-N	481.065	5.602	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1	223345769	WEBUKTVIUXSAGB-BJKOFHAPSA-N	463.006	5.908	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cc(Cl)ccc1O	223377110	LANFDFWLUHMCOR-UIOOFZCWSA-N	489.044	6.021	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223880028	AOAPEVGBJNEGGR-UIOOFZCWSA-N	498.608	5.158	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900631	QLWDMDVQCLSLIM-URLMMPGGSA-N	495.696	6.349	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	224207900	ZOOOYWCAIPJUSA-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)nc1	224308675	ORLMMUQPSIWXHV-SVBPBHIXSA-N	467.642	5.987	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224403380	VQBCWYXBMSYAGV-AHKZPQOWSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c(C)c1	224903032	NSDQQJWXSRTOLJ-LMSSTIIKSA-N	498.671	7.039	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Br)cc1	408753476	JAIWMXKDPCOJKV-CIAFOILYSA-N	486.196	6.899	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Br)c1	408778906	MUPFDRJLHMDTTR-RGVLZGJSSA-N	498.764	5.176	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)C(C)=C3C(=O)OC)c2C)cc1	408779084	QQQLSWNKYWMCGA-UQQQWYQISA-N	456.542	5.370	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1	408799317	KGYDFCAOOJBWHD-DEDYPNTBSA-N	467.308	5.239	10	40	JKCB	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1Cl	408986954	TXVKVVCIIQTVNB-MHWRWJLKSA-N	470.739	6.816	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)c1	408995408	CJWQFCGCUKSFMZ-WOJGMQOQSA-N	497.370	5.477	10	40	JKCB	
Cc1cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409138838	IQPPPOQIQVINOF-ITYLOYPMSA-N	455.627	6.404	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c12	409144064	DMISWZJRUWGYMK-JAIQZWGSSA-N	475.466	6.780	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O	409227048	OKCWAUBFFVQSLQ-ZFMLPXDISA-N	479.001	5.810	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O	409239222	HAUQQMKNVAMLTB-LUJYGJGBSA-N	458.583	5.465	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	409244554	FKNVCQHABLJOAQ-WOJGMQOQSA-N	490.890	5.759	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1Cl	409328235	QIQKBJQWJDSGPE-UNOMPAQXSA-N	471.947	5.453	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O	409340011	OMEMIVAUNZBFSO-LDADJPATSA-N	463.422	5.320	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc6ncccc6c5)c4C)c(=O)n3c2cc1C	409394287	YDECGANDVVJRDQ-QFEZKATASA-N	450.567	5.029	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(C)c(C)cc32)S1	2070737	WLWVJXBHQGGERZ-CLCOLTQESA-N	467.681	6.958	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	2390199	VKADLJXSOZXIRV-SDYPZFMASA-N	491.979	5.863	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1	3044043	RJHGMZYDLNUGMW-CPNJWEJPSA-N	460.397	5.401	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	8450587	ZYVWDKLFFDHHMJ-UCXLZHGVSA-N	471.586	5.448	10	40	JKCB	
Cc1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc1	8739257	LTLBSBKAERQJHJ-KGENOOAVSA-N	463.921	5.344	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3C)C2=O)cc1	8819841	PJEAMSPWJQDZRE-JWGURIENSA-N	468.644	5.712	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2nnc(CC(C)C)s2)C1=O)=C\c1ccccc1	8820587	HIPKQBZQDLOHIM-UEUHXYKBSA-N	486.688	5.303	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O)=C\c1ccccc1	8820638	BSPAQXDPJBBTKX-DZJHMMJTSA-N	476.667	5.315	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	9846948	XNAKAZUWQOAQIK-NVNXTCNLSA-N	467.146	5.633	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1	12377603	MCOLNMHGWNRPJX-HKOYGPOVSA-N	472.635	5.820	10	40	JKCB	
COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	12468761	WKTQCASQGHUYKH-VWKPWSFCSA-N	458.352	5.388	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4[C@H](C)CC)c4ccccc34)C(=O)N=C2S1	13893784	BALBTGVDMXUTDN-KCKUBMDXSA-N	499.640	6.263	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	13897174	PPGHCLRPCMQPNT-OSWZSTQVSA-N	498.579	5.633	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	26743855	XWQFFNIYZMVHBF-HMAPJEAMSA-N	482.026	6.642	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	27519425	BIRGZVNOBZFHEI-OQKWZONESA-N	492.487	6.113	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CC3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	36613161	UAVPJWRGABADIK-JMIUGGIZSA-N	480.438	6.335	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	215107857	XUTVZAWFTHMXLS-UFFVCSGVSA-N	475.372	6.777	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223405730	LKCOPMZVBMUBCQ-KAYWLYCHSA-N	496.636	5.448	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC(=S)N1c1ccccc1	408726182	QSUABASMBOXTAQ-KVKHVCHQSA-N	451.960	6.867	10	40	JKCB	
O=C1C(=Cc2ccc(OCc3ccc(F)cc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408743661	WVRLJGGUMPXEHS-UHFFFAOYSA-N	492.506	5.988	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)C(=O)O2)cc1	408743812	VLTGZAZEOGSOHK-GZTJUZNOSA-N	490.424	5.294	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408769346	ROHVEGBGIITDKN-YSMPRRRNSA-N	470.569	5.597	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	408803363	OAGHEAKOSGFYPD-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1	408845778	RPUDKEOYXMAQPJ-DEDYPNTBSA-N	465.278	5.121	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	408867660	LDTZDNCMIWTPAR-QQXSKIMKSA-N	470.569	5.284	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Br)C2=O)c1	408887030	LKWQOIGSAROZBD-XSFVSMFZSA-N	491.341	5.003	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409024084	UNXMBQZRMCXJTH-UCQKPKSFSA-N	489.955	5.805	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409132790	RKQLUPOPEQQQGX-ANYBSYGZSA-N	498.692	7.811	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1	409233386	VOYQWZGWWPSVGK-KGENOOAVSA-N	479.026	5.939	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(N(C)C)cc1	409336107	MDLXDTAOZRBNBY-OAQYLSRUSA-N	478.445	5.830	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC	409345848	KBYCHHHYOHZYKO-SXGWCWSVSA-N	484.824	5.916	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(Oc3nc(Cl)ncc3F)c(OCC)c2)SC1=S	409347416	PUZFUQOXJLQBJX-DHDCSXOGSA-N	453.948	5.071	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@H]3CCCN4CCCC[C@H]34)c(O)ccc12	1565519661	GXXPLUVBLOAVED-ATIYNZHBSA-N	460.618	5.094	10	40	JKCB	biogenic
COC(=O)CC/C(=C1/C=C(c2ccc(Br)cc2)NC1=O)c1ccc(Br)cc1	985734	PTFGFQMJIYZONV-ISLYRVAYSA-N	491.179	5.089	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)o1	1411663	LLPQMDQELBZTOT-KEBDBYFISA-N	471.893	5.982	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c(C)n1-c1ccc2c(c1)OCO2	2663722	LREJDSDTLPDDLJ-FYJGNVAPSA-N	491.590	5.913	10	40	JKCB	
CN(C)c1ccc(C(=O)O)cc1NC(=O)c1cc(/N=N/c2ccccc2Cl)c2ccccc2c1O	4044759	HSEMDIXPZOTXRF-QVIHXGFCSA-N	488.931	6.631	10	40	JKCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1	8694350	IDRRQAXPGFGPPW-KGENOOAVSA-N	462.933	6.280	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)c(Br)c1	8766815	QBILDHIFTHDTGC-GZTJUZNOSA-N	485.721	6.178	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1	9075874	IYECFIUQNVYWPQ-VOMLJKFNSA-N	496.394	6.023	10	40	JKCB	
Cc1[nH]nc(O)c1C(c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C)c1c(O)n[nH]c1C	14134632	BJBUDQHGOZUIDV-UHFFFAOYSA-N	498.543	5.324	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	14480638	FIIDROLRDUTNHR-BXTSTYNKSA-N	474.626	6.329	10	40	JKCB	
Cc1ccc(C(=O)C/C(=C\C(=C2/SC(=S)NC2=O)c2ccc(C)cc2)c2ccccc2)cc1	16291749	AXRZAHONIACUAZ-GKEUFVCCSA-N	469.631	6.519	10	40	JKCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1	27019800	DPWJWAQWKVVZNH-UNOMPAQXSA-N	489.460	5.803	10	40	JKCB	
COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Cn1nc(C)c(Br)c1C	32561930	UYPCBNSQLJXMOU-NDENLUEZSA-N	497.418	5.402	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S	33446773	XXWDRGYBUYHKFO-YBFXNURJSA-N	456.932	6.222	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	33919505	JWKMQLJXXKQYJT-VHLAIDERSA-N	494.407	6.068	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1	36082023	BQIBKAKDSMUTNF-PTLCIYQVSA-N	476.602	5.508	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	41084872	OZAZBQVFIUXXQF-NJIOILOSSA-N	494.064	6.727	10	40	JKCB	
O=[N+]([O-])c1cc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1N1CCCCC1	50647948	GYMZKEPCGWSZIK-MNDPQUGUSA-N	481.581	6.660	10	40	JKCB	
O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58846904	VXJHFZZBNOXXMW-PVTPYKNESA-N	496.607	7.120	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc(I)cc4)o3)C(=O)O2)cc1	83317669	ASMGMPBRKRXFML-SFQUDFHCSA-N	454.263	5.841	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	136915976	QCMSOFVQRQIGJK-XDHOZWIPSA-N	497.429	6.221	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	208730423	RXVHHPAWLNQRBB-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1F	223856952	YGIZVQVQYQMMMD-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)C1	225692236	SUKMLGSWFHQKBJ-HXUWFJFHSA-N	450.652	5.036	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408585163	BUPXRIYGVQGDPN-FMCGGJTJSA-N	480.347	6.663	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)c1	408741825	SCNCJWIFXURAFI-ATVHPVEESA-N	487.364	5.483	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2cc(C)cc(C)c2)C1=O	408892667	DISTZMPXYPEGCE-KQWNVCNZSA-N	454.526	5.111	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1F	409146678	SEMMGERNRZZBCZ-HXUWFJFHSA-N	491.993	5.631	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)SC2=S)cc1	409207858	BLKARNDUKBUFTK-HAHDFKILSA-N	464.612	5.907	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)c1	409328358	SVCZXKORSPRHSB-LPYMAVHISA-N	467.612	6.532	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC1=S	2389164	YTUSEXNLJYUZQI-XDJHFCHBSA-N	453.523	5.515	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1	3769166	QUFSPHWCNZTRNV-UCQKPKSFSA-N	499.032	6.530	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	8454115	BUDOMHCPDYLHMO-QHWMMSMNSA-N	460.599	5.939	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1	8763477	KNMRFESRXQTVPJ-IDWPBITRSA-N	464.612	5.456	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1	8872160	HDLOCECZMHWEIL-XDJHFCHBSA-N	488.370	7.733	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1ccc(-c2ccccc2)o1	9209624	UNVJUCIVTUPVGI-CJLVFECKSA-N	483.515	5.758	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC	9232745	XGLFYWAEKICQPY-GZTJUZNOSA-N	498.851	6.306	10	40	JKCB	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)oc2ccc(Br)cc12	9409409	BQANJKNICFRUKE-UHFFFAOYSA-N	467.363	6.005	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC1=S	9762475	FEDJJOROYKQGOO-XKZIYDEJSA-N	469.990	6.772	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c(C)n1-c1ccc2c(c1)OCO2	13149008	YBTLVXIYVMPHBY-UHFFFAOYSA-N	460.313	5.098	10	40	JKCB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)N1c2ccccc2Sc2ccccc21	15277059	BGWMMQJUPSVPCX-UHFFFAOYSA-N	484.562	6.313	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)SC1=S	16790656	WKPBGOGBBGXCRK-HKWRFOASSA-N	470.572	5.596	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)SC1=S	33736872	VDTHGGDXRSVAEU-BKUYFWCQSA-N	484.440	6.402	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1	58846410	DTDNAWFUSFPZTR-BOCWGRARSA-N	486.681	7.228	10	40	JKCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)c(Br)c1	100524787	YUCZAXYPECJRNF-IUBFCHALSA-N	454.353	5.756	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)c1ccc(Cl)cc1	206905457	OJKBUFWNWDCYIZ-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C	208531313	PNGWRLMAHCUHIQ-QRVIBDJDSA-N	493.604	5.831	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926613	LWONPNRATHTCFS-BJKOFHAPSA-N	453.055	6.079	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223095755	GRBDDBMLZYNDBG-SVBPBHIXSA-N	458.675	6.357	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223458700	WKESMENPMNVXNP-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)c1	223514055	UPILASFOLPJBRF-ZVHZXABRSA-N	487.600	5.470	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224837487	VREXMPXXURUYMQ-NSOVKSMOSA-N	498.652	5.992	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1F	224900283	LMRYADXLYUXDTA-UIOOFZCWSA-N	472.589	5.819	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F	225504401	DRKBPYUQQHNKBU-SVBPBHIXSA-N	499.615	5.239	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)cc1	408802727	GQPXDDCBQLMMQO-NLRVBDNBSA-N	476.532	5.648	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(Br)cc1	408841297	GAUFYDYIEVQRCC-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	408902640	PDGLHBWSNJZOCB-RDRPBHBLSA-N	496.010	7.133	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409084246	ASKXZDYQNQDSNU-SFQUDFHCSA-N	497.385	5.072	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c1C	409127343	CKGXEEPCEJIHAC-HYARGMPZSA-N	483.568	5.277	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1	409240213	PAPZOURALPWFOH-YDZHTSKRSA-N	493.560	5.307	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)o1	409345384	LMTOEQBUQZWJCS-ODLFYWEKSA-N	498.969	5.153	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccs1	1173884	SMKLPNVUGDHBLF-UYRXBGFRSA-N	453.566	5.382	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C)c4)C3=O)o2)cc1	2071052	ZRWBMMHNHCKNQD-NCELDCMTSA-N	475.544	6.903	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)c2)cc1	2700637	PLERMQVKSNXUAH-UAPYWLNTSA-N	475.591	5.601	10	40	JKCB	
COc1ccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1	2745994	JYOYNTVJVLPGSZ-JOCHJYFZSA-N	499.352	5.137	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1-c1ccc(Br)cc1	3355731	HQNDUTJCENDGLA-UHFFFAOYSA-N	471.380	5.220	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1Cl	4641927	FNPVIDDWIMSBBD-ZVWBETBCSA-N	491.979	5.863	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	8820071	KYVVNMVJOCEMKT-JWGURIENSA-N	496.654	5.490	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S	9463189	LGUMUCQIPNNQFR-MCRQTXEHSA-N	472.680	5.180	10	40	JKCB	
C[C@@H](COc1ccccc1)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	12285227	RZMYFFZCWYZWHH-HBAFHOPNSA-N	475.635	6.182	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccs1	13940696	UKKFBHCPLMYPBX-MOSHPQCFSA-N	467.593	5.377	10	40	JKCB	
Cc1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	33430279	CXQOVMGNVVJVPY-BWAHOGKJSA-N	475.635	6.244	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)c1	33525930	OYNLJPUVKMHNOQ-FKSRUJNBSA-N	476.565	5.060	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1ccccc1	33927635	ZSTGYXIBFQKZAK-CIAFOILYSA-N	477.354	6.326	10	40	JKCB	
COc1cccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	35843344	VCOGBTMTISMTDJ-CYXNTTPDSA-N	483.951	5.371	10	40	JKCB	
Cc1ccc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)cc1	44086350	IFQXMQLMLOQGDP-UHFFFAOYSA-N	458.543	5.546	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848794	MEMRNINUQWVXRK-CLCZQPDDSA-N	476.598	5.721	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Br)c1	59198296	LWGNNFVQLQGOAW-FYJGNVAPSA-N	477.314	5.535	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113834552	DADVZCTXQFSPHU-MFKUBSTISA-N	498.585	6.733	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391999	GPMHGKOIGSXBAW-PXJZQJOASA-N	480.681	6.533	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223608837	ZJJWDYVWIBNFKK-UOBPLZBXSA-N	463.553	5.301	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1C	224169651	CSFPHMVWGNNLHU-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224234451	LAIPRUGVCMNGEY-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc(F)c(Cl)c1	408600103	UNIHAKREOLMWKG-NVMNQCDNSA-N	451.878	6.423	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Br)c2)c1	408762621	PTYFCJTWGXKPDM-FYJGNVAPSA-N	462.303	5.500	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(C(C)(C)C)cc5)c4C)c(=O)n3c2cc1C	408778340	DWGOAHMOXIGOHG-MYYYXRDXSA-N	455.627	5.779	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1C	408865767	FJLQVJXUFODNLW-CIAFOILYSA-N	479.363	5.867	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)c1	408874168	AAHWIMNKSHJCPL-FYJGNVAPSA-N	462.908	5.353	10	40	JKCB	
Cc1cccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1	408902828	RTTVYLOTPREMAV-BUVRLJJBSA-N	483.618	5.994	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)cc3)C(=O)NC2=S)cc1	408988504	IDYFXNXUINWOCK-BUVRLJJBSA-N	470.594	5.331	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409078604	IULUZICANOGHPA-BCUAHEQISA-N	490.990	5.207	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1	409164348	HHSMQEZMXKCNIN-JMIUGGIZSA-N	488.348	6.497	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	409195792	KZVRZMORJFRRFN-XQNSMLJCSA-N	456.546	5.510	10	40	JKCB	
O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O)Nc1ccccc1	409328573	XVRXVSHNHDOPEM-CIAFOILYSA-N	498.988	5.902	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(Cl)cc1Cl	409350463	YFUOGKWHDCYJRT-NDENLUEZSA-N	458.391	7.192	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	409378932	SLNMTINNRWVVIW-JLPGSUDCSA-N	457.551	6.078	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	2671726	CQVOIGXGBSPXSA-KQWNVCNZSA-N	477.655	6.248	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc2ccccc12	14132839	OVLGAKTWHCUKEY-LFVJCYFKSA-N	492.531	5.402	10	40	JKCB	
CCN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)C(C)(C)c2cc(-c3ccccc3)ccc21	15162489	OCGRZCMBJALBNW-RPCRKUJJSA-N	482.674	7.304	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1	16575739	ZTBVVILEFBNPKD-ULJHMMPZSA-N	456.567	5.567	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	16805274	OGPYDPGVNXCLCU-WPGBELRESA-N	473.648	6.563	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)cc2[N+](=O)[O-])cc1	32124560	YBIGDODAEKIZOL-BKUYFWCQSA-N	481.624	6.010	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35851501	DVWSSKABWQUDNR-SDHSZQHLSA-N	480.539	5.269	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	41074173	UERXLDSUIUMTTN-MOSHPQCFSA-N	467.403	6.212	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N3)cc1	58845939	ILNFYBPFRAJNOE-DFIYOIEZSA-N	495.988	6.184	10	40	JKCB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2[C@H]2C=CC[C@H]21	58847015	QQZPCRWZLHCFJN-SRGWNRLKSA-N	465.506	5.361	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847245	YMWHDYXNPWPPJO-WZOHSFFVSA-N	466.990	5.976	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58849832	IKTBOCWFVQSWDO-ANSQWYIGSA-N	490.581	5.329	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1	59198180	ZZADXHLFDIGLQC-XSFVSMFZSA-N	463.287	5.112	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223900359	AZSOTPSECMQKPH-PXJZQJOASA-N	495.696	6.349	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224303906	FNKFMWVXJYGUDH-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224530848	ODWACGFEHMGCAR-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
CCN(CCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(C)cc1	225793992	YFPVBBAUZSLUOI-UHFFFAOYSA-N	473.686	6.336	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21	260925685	WTMGNJADCRNIAP-WUFINQPMSA-N	482.697	7.014	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1c(C)cc(C)cc1[N+](=O)[O-]	408534942	WWRSPCVOSZLNQV-YBEGLDIGSA-N	457.328	5.309	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)c(C)c1	408804734	GZYNDDNPIHTMJM-DEDYPNTBSA-N	460.917	5.202	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408820478	XYQPVQOBVDOASA-HYARGMPZSA-N	455.901	5.009	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1	408844542	UEQXZKZMDCJTQK-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1C	408854121	YEBTXABVHKANFE-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	408942335	ZEEQHIUFPLEVFK-DEDYPNTBSA-N	467.308	5.239	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1C	408960690	NVHWLDJFMLBQOE-LPYMAVHISA-N	461.949	5.285	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1	408966717	NSWKLJJOQIONDD-YBFXNURJSA-N	467.953	5.026	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OC(C)=O	409196324	TUJIAZVDRGRXRV-VCHYOVAHSA-N	478.389	5.179	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc([N+](=O)[O-])c1C	409200490	LZFHILLFGPXDBY-RGVLZGJSSA-N	453.545	5.427	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)o2)c(Br)c1	409245262	PXZUKDKKUFOQHW-LDADJPATSA-N	479.330	5.301	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409326829	FBHFUCCCPXTTCG-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409339329	HJZMSPIJCIVMBJ-UCQKPKSFSA-N	492.578	5.897	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)o2)c([N+](=O)[O-])c1	409342573	FQXXBRFXDRRCAC-NDENLUEZSA-N	452.513	5.578	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1Cl	2278938	BYALKFUAIKDVDD-LFIBNONCSA-N	485.845	6.267	10	40	JKCB	
CCc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1	3268953	GUSFOWPTXLKQAB-UHFFFAOYSA-N	492.647	6.670	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(C(=O)O)c1	8820158	DGQPRTCDIIZIKV-UYRXBGFRSA-N	489.018	5.439	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)s1	13550767	KPTRMFQAEOMRNC-QINSGFPZSA-N	481.068	5.154	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1	13940029	SIVIEPDSZHAWPU-XKZIYDEJSA-N	480.542	5.714	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	16805276	OGPYDPGVNXCLCU-JVDNRXPZSA-N	473.648	6.563	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OC(=O)c3sc4cccc(Cl)c4c3Cl)cc2)C(=O)N1	26965263	YCFGHWUBUKRFJS-UHFFFAOYSA-N	461.282	5.017	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	27017974	GONQLHAFDGSDAE-ANYBSYGZSA-N	496.570	6.382	10	40	JKCB	
Cc1ccccc1OCCOc1cccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1	27549555	FEEYVIAGASTGIZ-OIYMOPNQSA-N	462.575	5.118	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	33655974	UWYFPIQNDFEVOE-DEIISRMLSA-N	480.037	6.255	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3F)cc2Br)SC1=S	34860903	NTTSAQABOFWEMK-NVMNQCDNSA-N	482.396	5.397	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	41076704	VAPXYTICAKOESX-DIBLZJKFSA-N	495.652	6.584	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	41077885	AAHXGFMGSBEXDT-QPJVQXSBSA-N	461.497	5.040	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58848324	NEGZAWMSNXAUMV-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1C1CCCCC1	59109520	ASYICVLHLHRMAB-KGENOOAVSA-N	461.949	5.978	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208236546	CYEUFRWSYCGVEW-SLDJAQPHSA-N	496.405	5.146	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)cc2C(C)=CC1(C)C	208511589	NGRDBCXCOKFIAX-UCQKPKSFSA-N	491.613	5.392	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NC(=O)C(C)C	223153279	MNKUJMKEAMMOBW-LJQANCHMSA-N	489.707	5.279	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223382587	YGKVTPATIMWZTH-SXOMAYOGSA-N	452.627	5.970	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccccc4C(C)C)c3)CC2)cc1	224234117	RKPYBIBWVYPKDT-UHFFFAOYSA-N	474.601	5.369	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	224569498	MBGUFCGNIBWXJU-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1	225356158	WKZMJCCKWLBUGT-CSYCHJTNSA-N	487.669	5.941	10	40	JKCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)SC1=S	256055613	NDVDXDJLSDDKAV-ZCWPUFOUSA-N	481.426	5.281	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	408742548	PQVAAOABMWGXAI-UKTHLTGXSA-N	462.126	6.997	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)c1	408776996	SYHWJZGODCNFCK-RGVLZGJSSA-N	482.367	5.684	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1C	408818539	VWUDPULARCNMPK-MFKUBSTISA-N	454.526	5.166	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2cc(C)cc(C)c2)ccc2ccccc12	408945769	XGURSCHTYJLVLK-OVVQPSECSA-N	474.560	6.478	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1	408946736	ZEIDKJXIXHBFHY-PCLIKHOPSA-N	452.941	6.878	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409014932	QVIHXAHLYAICJI-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409016510	CWARULJIPWONDJ-IMRQLAEWSA-N	498.623	6.377	10	40	JKCB	
COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)sc(C)c1C	409207698	XRGAMNAOHAZWNP-LFVJCYFKSA-N	482.605	6.778	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C	409230343	YJPVBBCYZRQOHW-SSDVNMTOSA-N	497.979	5.870	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1Cl	409327289	IWPGUUWOQUIHEK-VCHYOVAHSA-N	459.907	5.843	10	40	JKCB	
CN(Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12	1565519877	KSSCVVJCDPHHKV-DVECYGJZSA-N	467.009	5.515	10	40	JKCB	biogenic
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1	3035044	SYVXJKZMDIUBOZ-NDENLUEZSA-N	476.406	7.058	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)CC	3768712	WDSCTYOLIMFUBU-ZXOFLVKFSA-N	492.460	6.431	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1C1CCCCC1	8721790	IWNWDEWGPXTJQD-NTUHNPAUSA-N	477.243	5.451	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	8959083	CIJIAIDPJXUHPE-JTMDUIFQSA-N	492.062	6.151	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	9076547	UWRQOBHLDFNQBV-RLSLOFABSA-N	470.481	5.427	10	40	JKCB	
Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N32)cc1	9308309	QNPILTYMXWVDIB-OIFRRMEBSA-N	495.578	6.311	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)o1	9310765	XCYYCWDHNUXFMB-WOJGMQOQSA-N	499.748	5.646	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1Cl	13892685	ZJXZGJOQINCWFB-YVLHZVERSA-N	498.851	5.911	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccccc1	15011546	QECMIAGJDCFWLY-CIAFOILYSA-N	472.418	6.978	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	16805179	DMVNNKZMYVPRGK-CPEHUTGBSA-N	463.628	5.856	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1	20288152	YFCXUHUCFYDEBJ-ITYLOYPMSA-N	468.532	5.173	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCc1ccc(Cl)cc1	59418175	WUJHMFAWCCNICC-HYARGMPZSA-N	474.047	6.462	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)c(Cl)c1	101660048	AUTMOVSNKSXAGT-NDENLUEZSA-N	467.352	6.387	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314880	VLBIDAVOCPLATJ-QTLGCAHFSA-N	497.064	5.303	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223758926	WZLHOLLTKVZVIW-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	223765044	ZWWQQQRIFPIQPY-RRPNLBNLSA-N	498.608	5.404	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C	224267270	SMGFLLVDJZJSFR-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O	224401602	GGRDVIKGVFYIJM-JWQCQUIFSA-N	486.572	5.504	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224536320	UPDATXGPJKSLAL-LMSSTIIKSA-N	496.680	6.600	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC(=S)N1Cc1ccccc1	408728323	ZUUCZROMJHCREL-MRWZPSDUSA-N	499.539	7.228	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Br)c1	408753287	GDJCINCJRNWHTD-KGENOOAVSA-N	462.303	5.500	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(F)c1	408847700	OBOBHCCESWZFSR-OEAKJJBVSA-N	488.515	5.087	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408882708	NOZYHVZATBBCMC-LPYMAVHISA-N	492.934	5.443	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1	408935993	JLBFRUZIQDKWFZ-NDENLUEZSA-N	467.308	5.239	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	408986368	QBDJZOZMIAGFOD-XMHGGMMESA-N	480.789	6.973	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1	409194610	PSIDENZSEZJEDQ-LPYMAVHISA-N	480.973	6.083	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)cc1	409340558	ZFSRSCZTEISHBG-NDENLUEZSA-N	484.986	5.770	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc2c(c1)OCO2	409345275	KRQQKYNUJCUVAU-VXLYETTFSA-N	486.368	5.844	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1	1236425	LCCHWHVPTKYCNL-NDENLUEZSA-N	479.652	5.191	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)SC2=S)cc1	1450920	RWQSPMPGVDOZKT-JCMHNJIXSA-N	488.590	5.069	10	40	JKCB	
CC(C)(C)C1(C)OC(=O)C(=Cc2cc(Br)ccc2OCc2ccccc2)C(=O)O1	3771141	UZHWFTDYMHIQDR-UHFFFAOYSA-N	459.336	5.274	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)c1	8821348	WSNMKMOBQFWPPA-OYKKKHCWSA-N	459.592	6.182	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	9090006	YBMIHDREDGJUMS-HMAPJEAMSA-N	455.901	5.850	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1	9232268	FSNVEKHWOPCJAI-ZVHZXABRSA-N	496.053	6.950	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	13361788	BENOFBBFLVYEIC-BPYKYCOYSA-N	450.991	6.276	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OC1CCCC1	13915358	RBIXOIWDMLKROH-FYJGNVAPSA-N	469.379	5.975	10	40	JKCB	
CCOc1cc(Br)cc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O	17085960	NLEGVGSCSJKPRL-WLRWDXFRSA-N	479.440	5.620	10	40	JKCB	
CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OCC	17315452	YJJISXKROZJMHZ-MHZLTWQESA-N	487.644	5.079	10	40	JKCB	
CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S	33655796	QGNGYWXILFBWQX-PXLXIMEGSA-N	498.073	6.593	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	41076333	GNUXIVWQDGLTQN-KYTOZCRMSA-N	459.619	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)c(C)c1	113836334	GVIRTZNEKAAYDM-AFUMVMLFSA-N	499.617	6.620	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	208254191	CHJDNBFTNDHTSR-LKEIMFIWSA-N	485.993	6.207	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Br)c1	222920955	HRHYETPWTPARBI-GOTSBHOMSA-N	483.479	5.880	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223540532	XEWZSSSKNIYHMQ-QCYAWUEASA-N	491.657	6.091	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864023	KYWNCCDCCNGWQR-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223974109	ZPZDPTXRBIMZOL-RRPNLBNLSA-N	499.615	5.764	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224535616	SITHMRFLXFJOPQ-XCZPVHLTSA-N	482.653	6.292	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224536168	GYLVVUPHCIMJLY-KAYWLYCHSA-N	498.608	5.404	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)cc1	408632433	PYMGNFOPFCQSRP-UNOMPAQXSA-N	458.971	5.198	10	40	JKCB	
COc1cc(N2N=C(C)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)ccc1Cl	408757267	LNGXVBZELVICQK-HZHRSRAPSA-N	470.960	6.110	10	40	JKCB	
CCc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)cc1	408762743	FZKRCVMTYZEQND-UHFFFAOYSA-N	489.575	6.240	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c2ccccc12	408774827	NKZXINYHCUSENQ-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4F)C(C)=C3C(=O)OC)c2C)cc1	408867639	LQYDJCCQEAZEQS-KQWNVCNZSA-N	474.532	5.509	10	40	JKCB	
CCOc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1	408873141	NNUMOWZOPXKBLL-UHFFFAOYSA-N	491.341	5.431	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1Cl	409334065	SVZHZZMCLQZFDJ-RGVLZGJSSA-N	486.958	6.231	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S	2961078	NIDPICHSHCRJBD-YVLHZVERSA-N	482.396	5.397	10	40	JKCB	
COc1ccc(N2CCN(c3nc4ccccc4nc3Nc3cc(C)nn3-c3ccccc3)CC2)cc1	3340071	YKYKRHHTYZKODE-UHFFFAOYSA-N	491.599	5.203	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	8819306	ODHPPBWLVBHAQB-YVLHZVERSA-N	467.399	5.232	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	8819949	OVMLCKFCZQUVDG-YQPBSLOJSA-N	490.691	5.257	10	40	JKCB	
CC1CCN(S(=O)(=O)c2ccc(/N=N/c3cc(C(C)(C)C)cc(Br)c3O)cc2)CC1	9113045	QLKIGUSKHFZNII-OCOZRVBESA-N	494.455	6.288	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9215672	AUYPJFKCXTWTEE-OQZKWKKUSA-N	450.539	6.065	10	40	JKCB	
Cc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O	9240287	ITXLGXWWAMYBNM-KWXIBIRDSA-N	493.578	6.183	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN(C)Cc3ccccc3)c(O)ccc2c1=O	19793186	LHUPCFFLUCJBCV-UHFFFAOYSA-N	499.485	6.340	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	31968400	IRVFAYUYQIHHIH-UIBINATQSA-N	466.994	6.580	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCCc1ccccc1	96193353	HPOGSOGEJAJDGU-STZFKDTASA-N	490.943	5.474	10	40	JKCB	
CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)cc1	102762420	MKHNEAQWPHFKIP-FUPPJEDESA-N	499.350	5.149	10	40	JKCB	
O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Br)cc1	106723069	CMRVDJPHTYJCGG-ZHZULCJRSA-N	457.393	5.676	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223422731	KBZQLVHLRKYADH-NSOVKSMOSA-N	498.652	5.679	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467065	FGPSYBYDNFTNQE-IZZNHLLZSA-N	497.624	5.063	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	223759902	UCXZMMOXDHYVNE-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223839415	RRYFFPUNHSUSNA-KAYWLYCHSA-N	484.625	5.765	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1	224081689	HMOKRJIGHMHSNH-UHFFFAOYSA-N	469.673	5.918	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4cccc5ccccc45)c3)CC2)cc1	224306070	VHQDJMSINLBNPP-UHFFFAOYSA-N	482.580	5.398	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	260911988	DUMNGRJJBGRHIM-CLJLJLNGSA-N	454.643	6.199	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(Br)c2)C=C1c1ccccc1	408737545	CZVZXGFAKXPJBO-HMMYKYKNSA-N	476.370	6.328	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408879140	BTYJERNBOUDYDA-BUVRLJJBSA-N	468.553	5.186	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1	408981344	AUZJGWADSRQCBK-LDADJPATSA-N	455.297	5.482	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3Cl)C2=O)cc1	408984130	FCOULDKLERXRLO-NBVRZTHBSA-N	470.783	7.517	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1cccc(Cl)c1	409088081	FAKFPDMBIGZIGL-ITYLOYPMSA-N	494.978	6.762	10	40	JKCB	
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1Cl	409132409	XUOSQEFMZFKTFM-HMAPJEAMSA-N	478.957	5.328	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N(CC)CC)c12	409132959	PPPZCNROWGXCPM-JCMHNJIXSA-N	477.655	5.478	10	40	JKCB	
COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	409149942	WEPKIMKETDQCNR-QHCPKHFHSA-N	484.042	5.899	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	409161554	VOTKCAMQEPNUSE-LPYMAVHISA-N	479.989	5.731	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c(C)c1	409233956	UXIQQWNUIGSWFT-OEAKJJBVSA-N	471.626	5.468	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c1OCc1ccc(Cl)cc1	409339342	UJBSAYWMKZFSFY-HYARGMPZSA-N	482.026	6.642	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	409343087	DJASFLQUVQNAON-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S	2197711	HZCMGGTXJGTZLR-MNDPQUGUSA-N	481.668	5.627	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(C)nn(Cc4ccccc4Cl)c3C)C(O)=NC2=S)cc1	8721673	WYMFCGHELFTUCE-UDWIEESQSA-N	464.978	5.182	10	40	JKCB	
COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	9239959	DUVLSDLWXPXHSH-PKTNWEFCSA-N	493.559	5.035	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCCOc3ccccc3)c(Cl)c2)SC(=S)N1Cc1ccco1	9849402	QHUCDZRZAVFVBK-JCMHNJIXSA-N	486.014	6.182	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c(C)c1	13166812	NMSMLEOGYCKDFD-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1	13895070	ILRTVBFZVPNQPB-BOPFTXTBSA-N	464.406	5.258	10	40	JKCB	
O=[N+]([O-])c1ccc(/N=N/c2ccc(N(c3ccccc3)c3cccc4ccccc34)s2)cc1	16487944	PVTBETPFIVPFOU-BYYHNAKLSA-N	450.523	8.695	10	40	JKCB	
C/C(Nc1ccc(Br)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288249	BPXMRZOZLSFZAK-QNGOZBTKSA-N	477.318	5.494	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)c1	27527778	TUSQQBDBVBUMGL-STZFKDTASA-N	468.431	5.948	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	27534732	GQYQAOMWRXECOX-HGYZZIEJSA-N	456.858	5.266	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1OC	35039121	HOHMZOMQHDFGSZ-UDWIEESQSA-N	457.573	5.287	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c(OC)c1	58849236	ZDVXSZFMGDOPJZ-LZCXECNNSA-N	480.561	5.470	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)c(C)n1-c1cccc(F)c1	59137393	JEMCHDLLHVLWSK-LICLKQGHSA-N	472.303	6.047	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1	83261381	HZISNMXOVIMVKA-KGENOOAVSA-N	462.889	5.434	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4C)c3C)N21	222702538	IZCRQVOWEXIXPZ-WDJPJFJCSA-N	451.039	6.430	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223007066	XZLKMIBLFCBELI-YADHBBJMSA-N	474.552	5.127	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1F	223495785	BIDOEWPTDWQFRC-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1	223566618	VRYXDVLWBULFBY-QCYAWUEASA-N	491.657	6.171	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223865162	DSMYGJCDWVCVBX-RPBOFIJWSA-N	455.587	5.075	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)o1	408740288	AWSPLTQEUZISDX-PTNGSMBKSA-N	452.260	5.907	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2cccc(F)c2)cc1	408741605	KGQZUTAUZCPXRX-XDHOZWIPSA-N	451.291	6.149	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccc(Br)cc2)c1	408768420	IVRCNDDJOJSAEC-UHFFFAOYSA-N	457.320	5.172	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1	408810934	JUHQSWCKAMRZRN-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1C	408856832	LPWCMASXTBEOMF-WGOQTCKBSA-N	463.537	5.531	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2Cl)c1	408882911	SSKSGELVWLZQCX-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1	409074754	RFXLUUMGNQUFRI-XSFVSMFZSA-N	497.370	5.023	10	40	JKCB	
CCOc1c(Br)cc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1OC	409142870	DSNMZAKBKWNFAP-IBGZPJMESA-N	494.476	5.261	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409173715	QPPBVVINAYHVHS-IUUKEHGRSA-N	465.731	5.854	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1	409208359	AXHMRTHGNPLDBE-ODLFYWEKSA-N	467.484	5.477	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC	409348229	RUZKRLSMUHQVJJ-LICLKQGHSA-N	464.406	5.489	10	40	JKCB	
CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)c2ccccc2C(=O)[C@@H]13	4720796	JEWNLRSIOYOUSQ-GNSBNEHLSA-N	460.614	6.208	10	40	JKCB	
CCCCc1ccc(-c2ccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)cc1	9310811	VJXOODHLWMVKNE-UHFFFAOYSA-N	459.545	6.724	10	40	JKCB	
Cc1cccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	9553763	KSEKRCVEIAGYIH-MOHJPFBDSA-N	461.608	6.249	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2	19370881	YBYSHTNOYRLRBN-MHZLTWQESA-N	478.652	6.697	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(Br)cccc4[C@@H]4C=CC[C@H]43)cc2)cc1	20058214	YQXIDARBAXXGPW-LGVFNWMJSA-N	466.806	7.508	10	40	JKCB	
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S	33457221	RLKIVKXRVXHIDJ-WOJGMQOQSA-N	464.381	5.554	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c3ccccc32)c1	41108527	RDHKRGDELFBKTA-MYYYXRDXSA-N	454.620	6.712	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	223039670	FRPQIQLIXBFVLG-GOTSBHOMSA-N	488.579	5.517	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223060307	XWAZLBKCXANRMP-DNQXCXABSA-N	469.054	5.460	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467817	QBJDKXWMPXPRJP-XCZPVHLTSA-N	481.669	5.928	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223767349	VSPZWFGSUATLFC-PXJZQJOASA-N	496.680	6.546	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223894717	ODLXPACIMDSBKO-WDYNHAJCSA-N	495.696	6.295	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224012630	JAGCEEGVADDNDX-NSOVKSMOSA-N	496.636	5.957	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	224567066	ZAPOBWKYCVJXIA-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(F)cc1	225044013	KFEFDQLOAPCBQD-WUFINQPMSA-N	499.659	6.103	10	40	JKCB	
C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCCCC2)cc1	225664713	YLNSBFUCRXUQRS-CQSZACIVSA-N	452.849	6.140	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1	408533543	KAJRKOSNDKSWIQ-UNOMPAQXSA-N	495.318	5.187	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C\Nc1cc2[nH]c(O)nc2cc1Br	408535477	SVKMBCQHCGMAGA-YFHOEESVSA-N	481.137	5.056	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)c(C)c1	408797556	GQORIQJIHNVNMR-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1	408803981	BLBSRPOSNQHPPY-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1	408839854	AYTVVOQCXHOQOJ-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(I)c1	408986573	QOLNFZUEZPXRFN-QGOAFFKASA-N	483.736	6.416	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1	409051294	KGCUPUKYSWNHNU-MYYYXRDXSA-N	454.620	6.399	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1	409141293	IALIUZYITCGIGY-BKUYFWCQSA-N	466.921	5.458	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	409144296	NVQBCNXVZUPSBA-QRVIBDJDSA-N	498.674	5.850	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409344558	HAOPRZMLUZXVPF-CPNJWEJPSA-N	471.560	5.325	10	40	JKCB	
O=C(O)[C@@H](SC(=S)c1ccc(C(=S)S[C@H](C(=O)O)c2ccccc2)cc1)c1ccccc1	1620468	NILKISQEGXTVHI-PMACEKPBSA-N	498.672	6.156	10	40	JKCB	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1	4362788	KSVCKYTZBLWIPE-UHFFFAOYSA-N	497.001	6.051	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	6150546	NVBYMNFFVGBGMZ-FAVBYDEOSA-N	470.510	6.254	10	40	JKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	9069316	BYCZHEKEIDZGHA-KQEYZTLISA-N	468.966	5.547	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1	9680422	LVQMNITVHUWZEG-QUYJEORZSA-N	470.396	5.132	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1F	15227839	WRDIVXQJWGYBNB-JCMHNJIXSA-N	462.550	5.143	10	40	JKCB	
CN(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(I)c4)ccc3o2)cc1	16186527	VHFSXTQRISXCOU-UHFFFAOYSA-N	483.309	5.418	10	40	JKCB	
O=[P@](c1ccccc1)([C@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1	16490959	VACSDOJFRUDLQZ-RNWIMVQKSA-N	477.383	5.729	10	40	JKCB	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1	16610550	HVJFSSUAPSJZKK-FQEVSTJZSA-N	471.601	6.872	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)cc4)ccc3o2)cc1	16678632	UAMTZCKIWNMACB-UHFFFAOYSA-N	474.586	5.476	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccccc23)cc1	20288682	YAAUNQYOWHQCDU-ITYLOYPMSA-N	468.532	5.173	10	40	JKCB	
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H]1Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3O[C@@H]1N2	32936465	JTWRZYPDIVHLQP-UIOOFZCWSA-N	464.694	7.838	10	40	JKCB	
CC1=CN2C(=N)/C(=C\c3cn(CCCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	34254499	QOSOVGUFPUOYMI-MBTIHVDPSA-N	456.571	5.586	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58846180	CTGRLLQJOYVMKU-FYQCMVGJSA-N	474.582	5.605	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(F)cc1	59135022	ZHJXTTXPWXTBOG-FYJGNVAPSA-N	478.451	5.449	10	40	JKCB	
N=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	71328736	CMNANXNXXJTJRN-SVKNRIHUSA-N	499.061	7.064	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCc4cc(OC)c(OC)cc4C3)c(O)c(Cl)cc12	85878263	FEQAAELNJONUTG-UHFFFAOYSA-N	457.954	5.070	10	40	JKCB	biogenic
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC	96577026	PZSMSRNCVZHYKJ-WJDWOHSUSA-N	456.427	5.390	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	110422536	APIRMFVTQHIMTO-FMGCXJHTSA-N	470.660	5.313	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1	113836309	RLTIZIAJOOYKNT-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1cccc2ccccc12	208664959	YZKLTTHCIFVVET-HMAPJEAMSA-N	458.520	6.414	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O	208671716	XJPJAVUIJGPTEP-ZSOIEALJSA-N	456.770	5.223	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc2ccccc12	223093528	IWZUNWWQFREMBS-WDYNHAJCSA-N	480.681	6.948	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)c1	223607659	VOGWMJRJYQRGOQ-OEBVFIGYSA-N	489.616	5.561	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1	224013561	ZPZJWQSHNPZFBO-IZZNHLLZSA-N	486.572	5.534	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224234822	YQFWUKNNFQAKHB-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224240860	XOVOQXZHUOWILE-PXJZQJOASA-N	480.681	6.845	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1	224915300	MGXQHQALTSYDQD-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1CC	408577860	UZLZBKMLDQDSQZ-HMAPJEAMSA-N	484.643	5.275	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2cccc(Br)c2)c1	408763815	UXQSAUHDFVYPNX-HZHRSRAPSA-N	460.375	5.658	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(-c2ccccc2)n1-c1ccccc1	408779677	HKVOOAGWSBLFKP-HKOYGPOVSA-N	463.562	5.284	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Br)cc3)C2=O)cc1	408844550	UHSAQLVVELWCOQ-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)c(C)c1	408934492	DSKMATFGMSFOAA-MTJSOVHGSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O	408938660	QWNCKEKDJLRYNV-NDENLUEZSA-N	464.880	5.033	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)c1C	408940990	WFPKJYPHNISXJX-STZFKDTASA-N	460.917	5.202	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1Br	408983273	AETBAGIGVWOYJW-PXLXIMEGSA-N	490.397	6.323	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409061479	XUMDCJULECJATR-MYYYXRDXSA-N	458.533	5.727	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409218598	VZPIQCFAAIPIPS-QRVIBDJDSA-N	492.578	5.584	10	40	JKCB	
O=C1/C(=C\c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409350605	YNTBAIDYSBJHKQ-WOJGMQOQSA-N	495.851	5.345	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(F)c(C)c4)C3=O)o2)cc1	2189181	FJYLLQFVDDCJSA-HKOYGPOVSA-N	493.534	7.042	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)CC2)cc1	2631516	GKGIMHGUYAOKMQ-UHFFFAOYSA-N	466.994	5.020	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OCCCOc2ccc(Cl)cc2)SC1=S	2840157	OPQXYSWUTLZESF-YVLHZVERSA-N	488.845	6.326	10	40	JKCB	
Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c1C	8439326	QCDKROPDNLFEOT-UHFFFAOYSA-N	498.695	6.868	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1c1ccc(F)cc1	8744417	XMURCPLVBUKHAE-QQXSKIMKSA-N	489.506	6.489	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2C(F)(F)F)C1=O)=C\c1ccccc1	8763485	DRFPALOXXHHPMF-GEZYKDBCSA-N	490.572	6.272	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9193750	NFFZOFQZKRXZAT-DSITVLBTSA-N	487.477	5.728	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	19799706	AABZVDZGZXCECO-JCMHNJIXSA-N	481.620	5.164	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	41108329	UFNYZKIBRQWQCR-BOJMXSMESA-N	497.624	5.718	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	97990637	HHICGDWTKZRCTP-ZVHZXABRSA-N	489.553	5.882	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc21	208455257	MSXPGCLQNXDHGC-LPYMAVHISA-N	459.615	5.075	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	222971327	MZTNGCNRJZHZFP-RPWUZVMVSA-N	453.055	6.224	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104585	ZSFNOJJKLJPZGL-IAPPQJPRSA-N	472.702	6.665	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223787678	OUGJGGMCNHRKDD-SXOMAYOGSA-N	484.669	6.289	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1	223858041	AZBOSAVYJFFCLQ-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)SC2=S)cc1	408576068	RBAMKYOEEQYDGT-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408576656	QHCFGLNHPHUPCM-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	408777018	TYAVIPZCTVBKEG-KQWNVCNZSA-N	474.988	6.323	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)cc1C	408796884	FCJOLMIMSBQKOQ-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cc2cc(C)cc(C)c2)c1	408880386	ISJIMBWYWYDDMP-BUVRLJJBSA-N	474.944	5.223	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1F	408888256	YAKTUGVTCMDNEQ-YBFXNURJSA-N	494.906	5.042	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)c1	408932278	VHAJQCWHOPYVBQ-UUYOSTAYSA-N	463.534	5.217	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1	408987497	OWYLXSDGXUAMGF-CPNJWEJPSA-N	479.330	5.246	10	40	JKCB	
CCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl	409047079	MRSWYCWPUQIUMQ-UHFFFAOYSA-N	481.335	5.976	10	40	JKCB	
CCOc1c(Cl)cc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409048093	RGEIPUHDYWOTOA-UHFFFAOYSA-N	481.335	5.976	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F	409048535	RRBIMZSDPDCCBA-UDWIEESQSA-N	455.316	6.518	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)ccc1OCc1ccc(F)cc1	409142168	RRRFMCOVWYJPFE-HSZRJFAPSA-N	473.635	5.765	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(SC)c2)C1=O	409335205	ZJSFTVUMONMEOX-KQWNVCNZSA-N	465.665	7.146	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c1	409343759	FHCMTOHBFRYJNE-RGVLZGJSSA-N	467.886	5.217	10	40	JKCB	
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1	2247228	KLEXARQGBZJXHH-QNGOZBTKSA-N	465.669	6.263	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	2449898	GSCQKADTMXHBEK-NXCFDTQHSA-N	497.541	6.013	10	40	JKCB	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@H](O)CCn4cccc4)cc3)c2c1	4830965	PVZTUHTXZVLZBY-AREMUKBSSA-N	457.961	6.719	10	40	JKCB	
Cn1cc(/C=C2\C(=O)N(CN3CCCC[C@H]3c3cccnc3)c3cc(Cl)ccc32)c2ccccc21	8993117	QQHWLPGAUQCNJP-MLGNGQMDSA-N	483.015	6.299	10	40	JKCB	biogenic
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(O)=NC2=S)cc1	8997263	IWMXFGLZUUADSO-PCLIKHOPSA-N	479.605	6.232	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)cc1	9234383	DUDYIYYGDDBCPW-UDWIEESQSA-N	484.986	5.770	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9281027	VRLUARGAVYMOBR-WNGCWRAYSA-N	476.565	5.310	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9291844	QPKZQZLHSBQWMI-UNTPUJHMSA-N	494.407	6.068	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	9293306	PJFFWYRFHMWLIP-DCAHJCEHSA-N	497.624	5.718	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(Cc3cccs3)=NN12	9763187	HEERCASTSCPOQM-STVRALQESA-N	481.606	5.613	10	40	JKCB	
COc1ccccc1Nc1nnc(SCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	13525359	VWBRHVXUEIRTGZ-UHFFFAOYSA-N	485.034	6.326	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16450036	GOSXRAFJDVFXCH-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@@H](C)C4)c(O)ccc3c2=O)c1	19793132	NPFRDHZCEKVJIL-HOTGVXAUSA-N	477.479	5.536	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl	33497704	CPBJFOJDZHSBBO-OWOKCHRJSA-N	474.977	5.118	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1C1CCCCC1	59109545	ONGSWDBMFVGZAJ-HAVVHWLPSA-N	457.530	5.355	10	40	JKCB	
Oc1ccc2c(oc3c(-c4ccc(F)c(F)c4F)c4c(O)nn(C5CCCCC5)c4nc32)c1O	95477536	UOTQFYFASJCPMM-UHFFFAOYSA-N	469.419	6.037	10	40	JKCB	
COc1ccc(/N=N/c2c(-c3ccccc3)cc3c4c(C)n(-c5ccc(C)cc5)c(C)c4c(C)nn23)cc1	95481689	PMLLDPGNJZIEBV-JEIPZWNWSA-N	499.618	8.603	10	40	JKCB	
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422868	PEBFZGWBIMAUAW-FRKPEAEDSA-N	467.443	5.442	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)SC2=S)cc1	113835008	RPYAQIMMBJMPIX-BUVRLJJBSA-N	477.607	5.997	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)O	210457656	WSKLOXCWAGOKGB-IUXPMGMMSA-N	484.382	5.261	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cc(Cl)ccc1O	223454249	ZHWYNQXRGAVHAV-LOSJGSFVSA-N	490.032	5.416	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc2ccccc12	223457505	FLGSMJICUCGCLX-WDYNHAJCSA-N	489.648	6.210	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171028	QCRLZDVAHRKCSV-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224235127	LEBNMIMAJVISCT-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366324	IVJVIVNJNUHGNB-WDYNHAJCSA-N	480.681	7.098	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1C	224436098	FOURJLBNXDMHKR-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2	250511243	QQLWNSVLQMJYTL-TVZXLZGTSA-N	473.357	7.424	10	40	JKCB	
COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	408578546	YOBZWQHQCYFDDT-HAHDFKILSA-N	490.606	5.114	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1	408741704	KRFWLVLVZLOZBX-CPNJWEJPSA-N	467.746	6.663	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(C)cc1	408781987	UYDOEHVLCFBSRY-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1	408990652	XWKVUDVACRWANT-UDWIEESQSA-N	482.367	5.630	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	409016782	IYZPBVCHWVEPKG-PXNMLYILSA-N	456.247	5.889	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(C(=O)OC)=C2C)cc1	409058966	PXGQXLVOPXUQCD-ONUIUJJFSA-N	470.569	5.678	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1	409249776	LLHCGZOLFQTMNL-FOWTUZBSSA-N	454.960	5.224	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccncc1	409331498	NJZQOEXKJFQTAU-HYARGMPZSA-N	464.568	5.084	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1	1013172	ZOPVVNIAMATOKS-ODCIPOBUSA-N	497.912	5.572	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1	8820831	XNMNYTHSWKLSSU-UQQQWYQISA-N	492.044	6.848	10	40	JKCB	
CCN(CC)c1ccc([C@H]2N(C(=O)c3ccc(C)cc3)CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1	10078659	HLQQBEQZUDKPSE-SANMLTNESA-N	486.572	5.046	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c([C@@H](c2ccccc2)N2CCCCC2)c1O	11867332	VQRXEEUVKUSJLE-JOCHJYFZSA-N	475.614	5.650	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(C)cc1	13514306	JGKSLRGXZKEQNY-WUXVYIAASA-N	497.580	5.035	10	40	JKCB	
CC(C)=CCc1c(O)c(O)c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2c1CC=C(C)C	14763947	HAHRYXGQWSJKPI-UHFFFAOYSA-N	464.558	6.295	10	40	JKCB	biogenic,in-vitro
CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc32)cc1	22418975	VBPHEIOLVMCYBA-DEOSSOPVSA-N	469.416	5.985	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	33698540	UPOKEZQNSICHCV-AUIJKELASA-N	458.012	5.386	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)o2)cc1Cl	33749788	OKLSQBLSPVWSBM-GZTJUZNOSA-N	485.721	6.178	10	40	JKCB	
O=C1/C(=C/NC(c2ccccc2)c2ccccc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	100478102	LNWAFOGPVHDEBM-LHLOQNFPSA-N	474.520	5.609	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Br	106721317	XLVBJTSIODQETM-MFOYZWKCSA-N	486.218	6.058	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)[C@H](C)CC(C)(C)N2C	208225158	GEFIKCOWQMXRPE-YSUUHWHMSA-N	465.575	5.862	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc21	208451667	COYHXGBIWJPKFA-LPYMAVHISA-N	459.615	5.075	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222971765	MFIFOULBFQWKRU-ZEQRLZLVSA-N	469.054	5.924	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352179	NXBXCIMGLXFTPQ-LOSJGSFVSA-N	486.597	5.261	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224398819	PEXXMOXIYWVHLQ-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(F)cc1	224602795	LBXJNIMFAVBLEB-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224845393	BUUKKRCHVMJDOZ-IZZNHLLZSA-N	499.640	5.387	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)CC1	225657160	TUCCLDDUBSFNKC-OAQYLSRUSA-N	464.679	5.597	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)c2C)cc1	408634057	OHPLBQDIVDFVJI-HMAPJEAMSA-N	462.527	5.630	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408760437	YQHAFRRWMBTHOQ-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O	408801520	ULAZDHJQMMYFPW-JUCCXITFSA-N	499.498	6.569	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O	408803580	QTCBMLKQYXBEBK-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C	408818277	XIWJITULMAPGBV-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408873682	WFDMCEUUHABICK-OVVQPSECSA-N	494.522	5.635	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2C(C)C)N[C@@H]1c1ccc(N(C)C)cc1	408992588	UGDNJSXCNKKLTI-RUZDIDTESA-N	494.661	5.085	10	40	JKCB	
COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O	409054107	RIHOWFOAVOOSQT-PXNMLYILSA-N	468.825	5.821	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409075284	YJRMLACVEPSAAG-JLPGSUDCSA-N	472.560	6.117	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409079148	KRLWLSKYXRCGLI-UQQQWYQISA-N	499.397	7.407	10	40	JKCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1	409140146	DZMNQPZJJDVHOS-OEAKJJBVSA-N	466.603	5.806	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1	409235476	QJVLSYDVCKEVCN-DEDYPNTBSA-N	463.990	5.196	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc2ccccc12	409330003	JMHUCFWIBPQDLD-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1	409332466	QXPPNNPTADWHJG-LDADJPATSA-N	454.554	6.053	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1Cl	409333784	VYINGVHICFAEKU-NVNXTCNLSA-N	487.771	5.359	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)c1	409344801	HGMPVFOWYUUIES-YVLHZVERSA-N	457.939	5.776	10	40	JKCB	
CCOc1c(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cccc1OC	409371659	JHTMYGDYXDKETC-CXUHLZMHSA-N	498.413	5.339	10	40	JKCB	
CCOC(=O)c1c(N/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)sc2c1CCCC2	618255194	RBAUQAKZMMYITR-ATVHPVEESA-N	458.630	5.430	10	40	JKCB	
Cc1cc(-c2cc(NC(=S)NC(=O)C(C)C)n(-c3ccccc3)n2)c(C)n1-c1ccccc1F	3198773	LMBHJTILYZOCLS-UHFFFAOYSA-N	475.593	5.555	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1	8451387	RIHVBTXQXCPAJJ-FISJVANTSA-N	483.597	5.355	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	8821410	NDMYWZFZTXASKP-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)cc1	8821725	BPVHLYQJFLFRCY-IWIPYMOSSA-N	457.555	5.615	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C)cc1	9189198	PDFFTZSCOCWMFA-HAHDFKILSA-N	453.629	6.117	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccccc34)C2=O)cc1	9477587	RPDKAZCSJLRMMB-ITYLOYPMSA-N	493.563	5.258	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S	10232798	IKJDNVCADYHHGG-GZQZNAIASA-N	460.533	5.008	10	40	JKCB	
CCOc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)cc1OCC	11643464	TZWLSXOGBNGZTQ-OAQYLSRUSA-N	481.618	5.257	10	40	JKCB	
FC(F)(F)c1cccc(-c2ccc(-c3nc4ccc(Cl)cn4c3Nc3ccc4c(c3)OCO4)o2)c1	12428691	AWKJXINLVADWDI-UHFFFAOYSA-N	497.860	7.406	10	40	JKCB	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)CC1	12563228	BTCTZDBSLZKKAA-LGUFXXKBSA-N	469.610	5.367	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\CCc3cnn(-c4nc(-c5ccc(Cl)cc5)cs4)c32)cc1	12571950	PFZOMFZEBMYRIM-HMMYKYKNSA-N	461.034	6.982	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1	13810276	VOPUIWRZARIJCG-UCQKPKSFSA-N	469.928	5.522	10	40	JKCB	
O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	18178413	LRRSYWKWAXRJEL-CYYJNZCTSA-N	456.299	6.818	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1	19798471	RYTPQXWBLJVWLM-KQWNVCNZSA-N	463.580	5.559	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccc(C(C)(C)C)cc2)SC1=S	41077637	OXPNSZHXDYKTEZ-QNGOZBTKSA-N	476.063	6.316	10	40	JKCB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1c(OCc2ccc(Br)cc2)ccc2ccccc12	58866240	FPEGUQJWEUKKCX-UHFFFAOYSA-N	493.353	5.935	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1cccc(Cl)c1Cl	59109560	KLKGRKAEWBZYOO-SFQUDFHCSA-N	460.361	6.036	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484773	CXAOZUAVTMRWMS-VFCFBJKWSA-N	482.539	6.885	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223981692	PIXXYBUJWGAMHU-RRPNLBNLSA-N	496.640	5.328	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl	408585643	GTRKWDKFVUMPIV-ZSOIEALJSA-N	467.692	5.432	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(Cl)c1	408818499	VSEMMDVGPFNTFN-RGVLZGJSSA-N	497.334	5.247	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2cccc(F)c2)c1	408891739	CMGOQQGTOKWAKC-SRZZPIQSSA-N	494.906	5.042	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408965806	ITDHEPOLHHRWJN-IWIPYMOSSA-N	489.597	6.536	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)cc1	409145518	QQGOAMYWCMRSLC-LSCVHKIXSA-N	459.390	5.340	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Br)c1	409166324	DQROBQKMGKXZOQ-RGVLZGJSSA-N	470.754	5.607	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S	409201949	RKWGKYDHPVTQQD-QRVIBDJDSA-N	488.594	5.554	10	40	JKCB	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1	409329660	GTCIGBMQDKKYHT-VGOFMYFVSA-N	479.635	6.815	10	40	JKCB	
Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409401482	YREOAUROZYIBNE-STZFKDTASA-N	476.363	5.766	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)ccc12	524730242	AVOZBAFBLQKTAN-FAGFWAJESA-N	462.634	5.236	10	40	JKCB	biogenic
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)ccc1O	1179526	YGTYYXHDKMMBRA-LICLKQGHSA-N	467.399	5.319	10	40	JKCB	
CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc23)C1	1799161	VEFJOPJDVUJAHM-WRONEBCDSA-N	454.570	6.114	10	40	JKCB	
Cc1cc(-c2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)c(C)n1-c1ccccc1	3246583	XWHCKILSXKPOSA-UHFFFAOYSA-N	481.559	7.279	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2cccc(Cl)c2)c(C)n1-c1ccc(OC(F)F)cc1	3373093	WNJABXHPMYNHLR-IZZDOVSWSA-N	459.876	5.788	10	40	JKCB	
COc1cc(CN(C)Cc2c(O)ccc3cc(Br)ccc23)ccc1OC(F)F	3420784	SZEBNYGNQPQRDB-UHFFFAOYSA-N	452.295	5.550	10	40	JKCB	
O=S(=O)(Nc1cc(Sc2cccc3cccnc23)c(O)c2ccccc12)c1ccc(Cl)cc1	3656754	IBNDEPGJQYIEJX-UHFFFAOYSA-N	493.009	6.699	10	40	JKCB	
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(F)(F)F)c(N)cc12	4773050	JIMUNXVPDAGXFM-UHFFFAOYSA-N	476.480	5.113	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	8819999	GLZDAHBPEFYFIQ-HMAPJEAMSA-N	496.610	5.018	10	40	JKCB	
O=C(COC(=O)/C=C/c1cccc(Br)c1)Nc1ccc(/N=N/c2ccccc2)cc1	12617943	CUMLAMRCZGFQGM-LMZNTFEBSA-N	464.319	6.060	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1F	14730503	MGRRNRQQOAUFDW-UHFFFAOYSA-N	482.511	5.127	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc(Cl)cc1	16479700	YKZKRHDZGBADEA-STZFKDTASA-N	465.983	5.961	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	17143478	NVYIPSZLOYKJNT-UDKICSLYSA-N	491.650	5.351	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc2c(c1)CCC2	35623021	MISZFGGBGLDCRK-QHCPKHFHSA-N	482.421	7.308	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N=C2SC(Cc3cccs3)=NN12	41108433	UAXTZALBDRVLMK-MQIWZSEOSA-N	451.964	5.054	10	40	JKCB	
O=C(C1=CN(c2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	49003873	PKRQIBGBUNYXPX-UHFFFAOYSA-N	457.766	5.036	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c1	58845980	JCZDOEPYVSYYRF-XXAUWVGASA-N	476.598	5.640	10	40	JKCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OCC)c1	83299377	OOFATPRYEOCXFH-XQNSMLJCSA-N	457.486	5.227	10	40	JKCB	
COc1ccc(Nc2ccc(N/C(C)=C3\C(=O)N(c4nc5ccccc5s4)N=C3C)cc2)cc1	103916149	BBLBGTPWJRHSPU-JLPGSUDCSA-N	469.570	6.157	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(SCC(=O)c3ccc[nH]3)N(c3ccc(OC(F)F)cc3)C2=O)cc1	104391256	NDYMQDMBEBSRAL-KGENOOAVSA-N	496.539	5.042	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1cccc2ccccc12	113836761	RPOPEDUILSPZMA-JVWAILMASA-N	494.616	7.388	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21	208218837	RFGLJLFACRKYEN-ZGFXFUDXSA-N	484.021	5.737	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223789178	SSAZYBKDFAJCQX-CLJLJLNGSA-N	469.614	5.460	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171352	NGJGQNBYZQDICI-IZZNHLLZSA-N	499.596	5.583	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)nc1	224274146	WCZCCXMVNFCHRV-KAYWLYCHSA-N	467.642	5.987	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224308105	WHHUMSQKXLGHMB-SXOMAYOGSA-N	467.642	5.987	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224337078	XNKWSDBLWXKMLZ-RRPNLBNLSA-N	468.626	5.934	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224573399	OECKSZGSLRUEPM-PXJZQJOASA-N	496.680	6.546	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)cc21	260916566	JNMKFBRLMXGSPQ-KAYWLYCHSA-N	468.670	6.507	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1	408756486	SGMUCFNKCPSQDG-RGVLZGJSSA-N	490.159	6.730	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)c(OC)c1	408758313	ISIYIBMXTUGATM-DEDYPNTBSA-N	490.968	6.112	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Nc3ccccc3)cc2)cc1	408776148	MNQITDPMFWXZDQ-LYBHJNIJSA-N	473.532	7.118	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)S2)cc1	408785819	ZQLNDMBRCQXFDH-PLQXQRLBSA-N	452.023	6.218	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Cc1cccc(F)c1	408865932	FILZZPRTJHUCNI-CIAFOILYSA-N	478.907	5.053	10	40	JKCB	
Cc1ccc(Cn2c(C)c(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c3ccccc32)cc1	409095943	IWHVOFCTLDXTQV-MFKUBSTISA-N	498.629	6.410	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	409126762	BMOPIIFYMDOGJQ-QAEYNFOBSA-N	492.666	5.799	10	40	JKCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O	409146312	RZYZVTJCOZSVQO-JLPGSUDCSA-N	462.571	6.341	10	40	JKCB	
CCOC(=O)[C@H]1CCCN(c2cc(Nc3ccc(C)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1	2303312	SGWXUOKKXRAYNJ-SFHVURJKSA-N	481.552	5.871	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1C	4106994	SSFBRYKGNVEHJJ-IWIPYMOSSA-N	487.625	5.948	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NCCc1ccccc1	8820179	OMIHBIBTWSIHHN-FXBPSFAMSA-N	473.063	5.461	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9282606	KWIBKULNHVZWJD-DVELLGFNSA-N	465.538	5.508	10	40	JKCB	
COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	9763326	WKTQCASQGHUYKH-GCKMJXCFSA-N	458.352	5.388	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCc3ccccc3C2)cc1	16914484	JMNGLPHPUWEGSU-VWLOTQADSA-N	467.535	5.301	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	59137187	NZUZGKRBPQOOMS-VCHYOVAHSA-N	472.303	6.047	10	40	JKCB	
O=C1C(=Cc2ccc(N3CCCCC3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	59138002	SDFVOHJARZUYHJ-UHFFFAOYSA-N	457.555	5.018	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21	208239162	JYCVDUSGENYMJM-SGPNVBEDSA-N	488.440	5.547	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224565935	JCIMUFGVMTUVAL-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1	224622005	UKWNGNHVYVSQHQ-JWQCQUIFSA-N	456.571	5.072	10	40	JKCB	
Oc1c(-c2cc(N=Nc3ccccc3)c3ccccc3c2O)cc(N=Nc2ccccc2)c2ccccc12	245239450	JBSIFSXOVFONSA-UHFFFAOYSA-N	494.554	9.902	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408742347	QRWSRARLECISJY-GDNBJRDFSA-N	477.756	5.738	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2cccc(Br)c2)cc1	408754837	SHBIGFPSYHMXBJ-HZHRSRAPSA-N	476.374	5.358	10	40	JKCB	
O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccc(F)cc1	408901187	BSGFISYFRXUWQZ-FYJGNVAPSA-N	498.988	5.902	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409022003	HPNAMSMAMFYWGA-UQQQWYQISA-N	453.538	5.760	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C	409234536	NNKNXLIXZPGCEV-PXLXIMEGSA-N	457.599	5.105	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409327059	HFVDPJCXJFNQRN-UDWIEESQSA-N	486.958	6.313	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409335174	ZDHJXSYBJOQGMB-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O	409349548	PYTZISOUYZEPMS-XDHOZWIPSA-N	454.598	5.235	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S	1805148	LFBIGAVOWOLUCI-XLXASQRYSA-N	455.944	5.627	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2696798	RQAMSOGMQKNBCC-JJWXFRNXSA-N	475.683	6.957	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc(F)c1	2992993	LFVKIXRNKUDCMR-FMCGGJTJSA-N	462.546	6.374	10	40	JKCB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c1	6142733	ULZNGRYZWVUFSL-UHFFFAOYSA-N	493.975	5.516	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccccc1	9232917	PSUMHOYLOZZOBC-OAHXEOETSA-N	459.962	5.415	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1	13893355	DRXZAIURMJQJMX-NKFJNAIASA-N	462.575	5.036	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3C(C)C)C2=O)cc1	33330957	RSMNMIXWGXUVOX-MOHJPFBDSA-N	471.557	5.760	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59104466	APZIGKQAQSWIKV-FSJBWODESA-N	460.961	6.315	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CCC3CCCCC3)=NN12	80348301	FIAIQKYSFUSAHI-DAVZBEIMSA-N	495.652	6.669	10	40	JKCB	
CC(C)n1nc(O)c2c(-c3cc(Cl)c4c(c3)OCO4)c3oc4c(O)c(O)ccc4c3nc21	95477206	CAHMXNRBHLDBGP-UHFFFAOYSA-N	453.838	5.078	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223419103	ZUKDKMYJSIKALR-IZLXSDGUSA-N	482.653	5.979	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c(C)c1	224607671	CTNFEYONGRQNHN-IXCJQBJRSA-N	482.653	6.297	10	40	JKCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)SC1=S	256055612	NDVDXDJLSDDKAV-KMTKGMGQSA-N	481.426	5.281	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1C	408573743	KFWHRQKONXIENF-BKUYFWCQSA-N	470.616	5.021	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1	408761219	CMNGWJCHEXHSSF-ATVHPVEESA-N	456.756	7.127	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Cl)cc1	408764180	SGKSMCWVEMAKDT-LPYMAVHISA-N	471.771	6.880	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(F)cc1	408799096	JSZNHBHMMUMPLR-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)c1	408928894	FSYNOIVJCPNTQM-AFUMVMLFSA-N	487.625	6.003	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(Br)o2)C(C(F)(F)F)=NN1c1ccccc1	408969844	VMAHXYWPTNSOMS-POHAHGRESA-N	464.035	5.153	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)NC2=S)c1	409011353	GGCABJWENPIQIX-PCLIKHOPSA-N	479.605	5.695	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	409149437	GESGVKUPNZJKHU-HXUWFJFHSA-N	491.993	5.631	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC	409180768	VMTSJRBGQKLLRD-ODLFYWEKSA-N	451.972	6.072	10	40	JKCB	
CC(C)n1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21	409227054	OKEURVXFPRJQAV-VCHYOVAHSA-N	457.477	5.072	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OC	409338386	IXTPVMUXQZGGMR-RQZCQDPDSA-N	468.369	5.401	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC1=S	409350714	YWESITZOEPQKJP-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1	3395673	GBWHALGNRBSVNY-UHFFFAOYSA-N	459.468	6.628	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1	9188490	PZJHRYHBNSJRCM-XYGWBWBKSA-N	491.634	6.387	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(=S)N(CN3CCN(c4ccccc4C)CC3)C2=O)cc1	9353390	QZAYMZDOKPMJQL-PLRJNAJWSA-N	495.714	5.545	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	9478041	CSMNOQHFKOPPHU-BERHBOFZSA-N	487.983	6.953	10	40	JKCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1	13689155	LWSNGICDAQQZIG-NSQMGQQPSA-N	496.614	7.157	10	40	JKCB	
Cc1cccc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)c1	13798796	UYOWEGPTIGDVLE-SUJAKXCHSA-N	481.577	5.757	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14406654	YFQFKTQOUYQXEM-ULJHMMPZSA-N	459.929	6.400	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1Cl	26676009	NZNAWOZUELGLNT-FDLDKBQRSA-N	492.944	5.307	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(F)cc1	33603950	NOFCUHLNAAADBA-HMAPJEAMSA-N	457.592	5.947	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C	34846703	DRKLSZIXLGFEHL-LXEXHQCYSA-N	463.950	5.316	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1CCC1=CCCCC1	35190907	SJMKDSSMXBBWOU-PLRJNAJWSA-N	485.653	5.997	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)c(C)c1	100486990	VZDKQEMOSBIJFB-HEMLFMHRSA-N	490.819	5.787	10	40	JKCB	
CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1	103922376	YEMFHEFZDJNCQU-ULJHMMPZSA-N	456.502	5.303	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208236247	CTMBIIXAHFEPHF-SLDJAQPHSA-N	468.022	5.202	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223894780	ODLXPACIMDSBKO-URLMMPGGSA-N	495.696	6.295	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224207125	AVFHIEXTCQTIHV-XRKRLSELSA-N	480.681	6.900	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1	225031333	BLQRAWBVIYZFKU-RPBOFIJWSA-N	474.630	5.191	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1	408752030	FMFYKWSQTMPWOU-RCCKNPSSSA-N	461.315	5.070	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1	408758353	JEDJJLXCTRDTDT-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)c1	408779336	CXMFBBWMZMUUMR-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1cc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c(C)n1-c1ccc(Cl)cc1	408977175	VSEKXGFFJQSYHE-HXUWFJFHSA-N	467.019	6.183	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	409000603	ZHPDLQACFBUIMN-YBFXNURJSA-N	494.895	5.073	10	40	JKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1	409001469	INUDDUISRSGDCC-JFQZWHKDSA-N	490.563	6.804	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1Cl	409159876	AXDDJUDZQFITPA-DEOSSOPVSA-N	498.069	5.942	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1	409227587	QHMAIDLJLISVNL-MFKUBSTISA-N	480.524	5.308	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	2532799	GPGOLLWRDKTEOT-UHFFFAOYSA-N	467.308	5.585	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	8818967	NRFRZXDBYPEBTQ-DWKHYPNZSA-N	453.994	5.008	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1	9188551	FQVFLAZRTUXHQL-UUYOSTAYSA-N	486.445	7.287	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	9188676	KQMBSNLZWDMWEO-NOEYKIMYSA-N	453.673	6.950	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1-c1ccc(Cl)c(Cl)c1	13141788	FGYVLWHLGBSDIV-UHFFFAOYSA-N	464.370	5.851	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S	27018176	RKRFXZVDABZOFI-JWGURIENSA-N	492.626	6.229	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	32109355	BBEXLIJCTJTCPI-FMFPOINMSA-N	498.992	5.062	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S	32594037	VBOLMECFMQVXEQ-OQKWZONESA-N	489.634	6.882	10	40	JKCB	
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1Cl	33749203	VRHXXSKFOWMRDS-XDHOZWIPSA-N	469.324	5.042	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	34688844	GGVWJQSDFWJSKP-DHTWHNCJSA-N	486.306	5.582	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	34703523	OXESRHDISNMOOY-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cccc(F)c1	35638393	XYWBQDLCJWLIKZ-BOPFTXTBSA-N	479.396	5.208	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(Br)c3)C(=N)N12	103563464	GOPVLUYDFAFVBX-RQUXIJKASA-N	498.402	5.382	10	40	JKCB	
CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2[C@@H]2OC(=O)c3ccccc32)cc1	105793901	NNKZYLQPLALNKV-FQLXRVMXSA-N	493.607	6.888	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223367327	LKFRZRFRIUWVCE-JWQCQUIFSA-N	486.597	5.041	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224373870	JWDWXHVWWAMSQP-SVBPBHIXSA-N	481.669	6.493	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	260916546	JKLSMOBABVVYPL-DQEYMECFSA-N	490.076	5.934	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)S1	408803976	BKJOBSUTUIQHDI-UHFFFAOYSA-N	487.432	6.481	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1C	408848623	RLAFREISNDMGFV-OEAKJJBVSA-N	483.955	5.626	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)C1=O	408865647	DEXLUAZZNXUZAC-STZFKDTASA-N	490.943	5.156	10	40	JKCB	
CC(C)Oc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408876115	NAMZQQRGTIKAPI-UHFFFAOYSA-N	460.917	5.711	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2c(C)ccc3ccccc23)C1=O	408882906	PKONELRTDXXSDI-BWAHOGKJSA-N	490.559	5.956	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S	409034097	HEQJPQYPONMZNN-GRSHGNNSSA-N	480.424	6.024	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	409211988	LCTSJEXICUYCTP-WQRHYEAKSA-N	499.457	7.390	10	40	JKCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1C(C)C	409243000	UDZIPYHREYFWAX-YBFXNURJSA-N	476.520	5.367	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1Br	409334448	XXTLXRKOLZXAHH-ZDLGFXPLSA-N	498.851	6.306	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1Cl	8738154	ILRNIMWSJPPBCF-UCQKPKSFSA-N	499.954	6.416	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S	8819277	IREAVIZVAKVGAP-HMMYKYKNSA-N	456.608	5.244	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	8871698	ASQPQDMMMJIYKI-KNGSKEOJSA-N	498.445	5.117	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1	33563856	PHKBBYNRCQZXBJ-STZFKDTASA-N	492.362	6.063	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1C	41108271	JNHGIZRZASUQJO-FSWFDUBRSA-N	499.665	6.167	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58845687	NNHSHMTTWZBQLY-BPYKYCOYSA-N	450.991	6.276	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	108974020	ZZOHKYDDEAQDLJ-BKUYFWCQSA-N	465.918	5.910	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223315032	VLBIDAVOCPLATJ-LQGLAIQGSA-N	497.064	5.303	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(F)c1	223496038	XOSRYZQRGUKWJJ-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(F)c1	224013182	JWKKHCTUCCLYGZ-CLJLJLNGSA-N	486.572	5.534	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	224225962	DUMNGRJJBGRHIM-FTJBHMTQSA-N	454.643	6.199	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224235419	JUPDEJIOVMSORI-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224898292	PROQEQMEZWDQKK-WUFINQPMSA-N	484.644	6.676	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N([C@@H](C)c4ccccc4)C(C)=C3C(=O)OC)c2C)cc1	408777305	YCFUMFSCPLNWDB-UHSZJLINSA-N	484.596	5.927	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1	408803286	NGKSALVKOQHYAI-HYARGMPZSA-N	495.362	5.801	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1C	408854509	HBWCOILIJFYHMG-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1	408882720	QJBUJMNWWGXCPK-FYJGNVAPSA-N	494.906	5.123	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	408932782	DYNSMRTVTIZXQE-NHDPSOOVSA-N	454.357	5.802	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1	408935571	HYNLFZFQMHNEGZ-HZHRSRAPSA-N	485.496	5.014	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4S)C3=O)o2)cc1	408983266	ADEQPWCJKWFTHU-OQKWZONESA-N	479.557	6.493	10	40	JKCB	
O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1	409215730	DTRSOQCSMVCNMW-VCHYOVAHSA-N	476.362	6.357	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)c1	409235586	CFWBPUVAOWNKNG-ZHZULCJRSA-N	479.026	5.939	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(Br)c1	409405462	HEWKIDHLNANHHT-PDGQHHTCSA-N	483.749	5.143	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	2187576	RPQFBESSZOJUTR-YYGZZXRFSA-N	487.599	6.546	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1	2249130	QULQVKVTJYAPOP-JWGURIENSA-N	479.696	6.653	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	2377204	NDRANGCRCSUIJM-OYUWMTPXSA-N	463.533	5.108	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)C[C@H](C(=O)c3ccccc3)c3nc4ccccc4s3)c2C)cc1	2616058	BXJZIACKAMLYBN-RUZDIDTESA-N	478.617	7.252	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	8819872	SAXMFFJPZXZOJZ-AJNNJPABSA-N	460.665	5.248	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1cccc(C)c1	9281938	WFAAXMTYWROQOQ-WUXVYIAASA-N	497.580	5.035	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9292339	XBQMUBCSFKBTEC-PYAYSUMASA-N	488.016	5.918	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1	13590114	LWLDHASCVFQUSH-UCQKPKSFSA-N	498.714	5.542	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1cccc(OCc2cccc3ccccc23)c1	33737588	YRLKXFANGBXUIS-PCLIKHOPSA-N	470.981	7.155	10	40	JKCB	
Cc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)O2)cc1	33759253	GITQTIQMZLTJAA-GDNBJRDFSA-N	452.260	5.907	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(C2CCCCC2)C1=O)Nc1ccccc1	35519860	LOBKGBZOIUBCFR-QNGOZBTKSA-N	452.601	5.238	10	40	JKCB	
O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC(=S)N1C1CC1	36613176	JTSCFMQQMRDESX-VCHYOVAHSA-N	480.836	6.045	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1	58846749	RCDUCWUXOZACQP-BXTSTYNKSA-N	458.627	6.746	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)cc1	103125090	PUMDCCIGDWHSJR-FYJGNVAPSA-N	478.346	5.672	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Br)c3)C1=O)[C@@H](C)CC(C)(C)N2C	208230228	MWVOBTWCNQAGGM-BBJIBYMTSA-N	496.405	5.146	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	222971692	TVPGCUASYDLGEA-DNQXCXABSA-N	462.619	5.268	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222994576	AKAPBLQDFATEIU-YADHBBJMSA-N	474.552	5.127	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223422983	BUNYNBQKFVXHPE-NSOVKSMOSA-N	498.652	5.679	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223973586	NUQLMURQERLNNH-SXOMAYOGSA-N	499.615	5.764	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C	224266013	ZHBHCAFEZWOTIV-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21	260912303	FOHSDNWCENPKSU-ZEQRLZLVSA-N	479.049	6.132	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(Br)cc1C	408533214	OGDZCMWGTQZAOM-YBEGLDIGSA-N	477.200	5.855	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccccc1I	408738894	PSHOVSFILKZMIL-NBVRZTHBSA-N	483.736	6.416	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)cc1	408820580	YULYHZPPAYWWAK-OEAKJJBVSA-N	485.996	5.483	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1	408903829	AAQHBYYVLKIVOF-FYJGNVAPSA-N	463.896	5.303	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C	408996928	FLZGKVWFGXNGAA-LPYMAVHISA-N	463.379	5.425	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1C	409022874	HIVNUKPGDNWBQO-XDHOZWIPSA-N	485.055	6.001	10	40	JKCB	
O=C1[C@@H](Cc2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1cccnc1	409160312	GKCOCVAKBQNWOM-OAQYLSRUSA-N	455.004	5.286	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NC1=S	409240758	VFTFVLBQTPIYJG-LFIBNONCSA-N	457.338	5.393	10	40	JKCB	
O=C1C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	675498	RVTFMDWTWZVRFH-UHFFFAOYSA-N	494.532	5.134	10	40	JKCB	
O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	1862051	AXDVIBIJHGKNIB-AQHRCUNFSA-N	482.936	5.755	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1	2224122	FZVPGTMFNSBRMC-ADIMLFFHSA-N	491.591	7.018	10	40	JKCB	
N=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12	2985419	BAIBLXOOKFWJTM-ZJRVSBDTSA-N	480.471	5.600	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	9183491	NGLBWGWWKHPBDX-HMHKGCENSA-N	460.407	7.216	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1	9345736	QPBHXAMALMRZQD-UGIGCIEISA-N	453.571	5.015	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cccn4Cc4cccc5ccccc45)C(=O)N=C3S2)c1	9762281	RRQAFHYQXLFBKR-XAUISYEUSA-N	475.577	5.665	10	40	JKCB	
Cc1cccc(Cn2c(C)c(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)c1	9836739	KEQABEYPQONWTG-XYGWBWBKSA-N	463.537	5.281	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)SC1=S	9972966	QRNSJPGNALXGFA-YVLHZVERSA-N	498.851	5.911	10	40	JKCB	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	12139850	ODMAKYGGRUSZPS-KNGSKEOJSA-N	466.378	5.164	10	40	JKCB	
Cc1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	12577818	QBMOIVJAZCISCL-UHFFFAOYSA-N	455.646	7.368	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1	14406673	SCVBBHHFUPQTIG-UYRXBGFRSA-N	486.362	5.124	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1C	20033725	XCBONKHCCRJMNW-PPJWLVRDSA-N	474.582	5.629	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl	35447316	LRNBQBZDXNAGCQ-LFVJCYFKSA-N	482.971	6.398	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1F	58822058	VMPNMECDYLLIDE-UDWIEESQSA-N	450.897	5.873	10	40	JKCB	
O=C1N=C(S)N(c2cccc3ccccc23)C(=O)/C1=C/NCCC(c1ccccc1)c1ccccc1	102545995	AGCPZDFNOUXFCU-LHLOQNFPSA-N	491.616	5.695	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	107988999	UWULNJWEFYQXKY-HAHDFKILSA-N	474.538	5.445	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCc1ccccc1F	108199294	BJEMIVSQAPMUQB-XKZIYDEJSA-N	468.937	6.149	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223764662	NXUMEQHGBJZUPY-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223797234	WWGLUMXALYPNDM-KAYWLYCHSA-N	486.616	6.204	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cc(Cl)ccc1O	223850509	KGTALTFLXZNUKH-RPBOFIJWSA-N	491.016	5.731	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C	224274087	OANBGOPTKOUZKF-UIOOFZCWSA-N	467.642	5.987	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1F	224900343	VXKXDPGXCTZUEY-CLJLJLNGSA-N	472.589	5.819	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	260926936	XCGKXIJYRLJSBH-LOSJGSFVSA-N	490.076	5.934	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(C)c3)C2=O)cc1	408801004	RAJSNACIMSUVFF-HZHRSRAPSA-N	474.944	5.456	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(F)cc2)cc1	408841398	IURGXYNNRNWLNR-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1	408845284	VRKLXTZNTCWIKU-YBFXNURJSA-N	481.733	5.666	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1C	408865391	CCXYPOJIXGWSPD-OEAKJJBVSA-N	462.908	5.353	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)cc1	408870224	VPMMHABAFHSYGT-KOEQRZSOSA-N	480.951	6.059	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1ccccc1F	408876696	QASFZKDMKAWCDM-WQRHYEAKSA-N	496.897	5.274	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408941224	OYYWGFPSYGTICM-FYJGNVAPSA-N	475.888	5.269	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1	408983075	KDLXYEOIOYRRKK-STZFKDTASA-N	461.949	5.285	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408986268	PGYPRQHUTNNPFR-XMHGGMMESA-N	480.789	6.973	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1cccc(F)c1	409346821	ODJXYARHEFUOTM-NHDPSOOVSA-N	490.408	7.117	10	40	JKCB	
COc1ccc(C2=C(C=C3SC(=S)NC3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1OC	2049274206	SQRVYQAWBZXHPY-XMMPIXPASA-N	487.602	5.671	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	1105139	AZMQGIPGQHEJSS-XYGWBWBKSA-N	463.537	5.247	10	40	JKCB	
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c1C	3656697	WEDFIRXSDOPUQN-UHFFFAOYSA-N	470.641	6.188	10	40	JKCB	
O=S(=O)(Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccccc1	8438968	YWKQAYXCVAARCZ-UHFFFAOYSA-N	464.593	6.107	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	9274103	VGIRKWGXWQFEST-JFDFMHGASA-N	473.989	5.723	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21	9290719	VCFWWRVFVGRKJX-GMQQYTKMSA-N	489.502	5.735	10	40	JKCB	
O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(Cl)cc1	9359413	MTVZPUFDRZTWQR-UHFFFAOYSA-N	476.919	6.783	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2c([C@H](c2ccccc2)N2CCCCC2)c1O	11867331	VQRXEEUVKUSJLE-QFIPXVFZSA-N	475.614	5.650	10	40	JKCB	
CC(C)CN(Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12)CC(C)C	19793007	ULKVEXALJDMAJP-UHFFFAOYSA-N	497.941	7.077	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2C)cc1	20289128	WEWPVUUERPZMAY-ULJHMMPZSA-N	461.949	5.803	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	32116861	CWIILFJWUYPQBP-PDGQHHTCSA-N	479.901	5.906	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C(=O)N=C2O)cc1	33398421	ZWTYNKPGVYDPOQ-STZFKDTASA-N	462.889	5.434	10	40	JKCB	
COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1	44085919	SHKWLPGGIZBBGW-UHFFFAOYSA-N	480.815	5.343	10	40	JKCB	
Fc1ccc(CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccccc2)cc1	44086416	OELHUZJISJHAFG-UHFFFAOYSA-N	453.380	6.792	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	58849720	HZCRHSDXXYHXOY-TYPXCFOJSA-N	474.626	6.248	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	59418161	FLIJYLFBKFVTBH-CIAFOILYSA-N	489.515	6.829	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)ccc1OCc1ccc(F)cc1	59861102	OJPNBVXIGDZTNF-FYJGNVAPSA-N	474.488	5.537	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542592	XIUDUZSPRKQXPY-IZZNHLLZSA-N	488.060	6.019	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223727150	YHOOADGEGKTTQA-BDYUSTAISA-N	490.673	5.340	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	224164329	KSVAQGMJFNTUCG-LOSJGSFVSA-N	492.570	6.685	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	224168210	AQZWUIZLBSTQGZ-JWQCQUIFSA-N	468.582	5.364	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1	224433382	VVVSTSGLLDVSMU-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)cc1C	408741400	PPJVKVYLFKKRBC-UHFFFAOYSA-N	489.575	6.294	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3Br)C2=O)cc1OC	408762181	DEHUYZQGJFJJMW-QGOAFFKASA-N	496.788	6.591	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C	408968797	ZFOYYZNROCIBGI-QGOAFFKASA-N	482.367	5.630	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409078262	IFDULNMXBBEIJR-ULJHMMPZSA-N	482.942	6.893	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccc(F)cc1	409141642	BDTSVNWDGZHDCN-JOCHJYFZSA-N	472.006	6.030	10	40	JKCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O	409228119	UHZRWIKVAMDTMY-VCHYOVAHSA-N	467.360	5.069	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S	409330224	JYGFGNZIVDYXTC-MSXFZWOLSA-N	493.028	7.196	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	409341504	BJRHVKFNNVOCEQ-LZYBPNLTSA-N	472.788	6.046	10	40	JKCB	
CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(Cl)cc2)cc1	1276438	JYNJCMHZLRSSBA-UHFFFAOYSA-N	481.961	5.373	10	40	JKCB	
OCCC1CCN(CC/C=C2\c3ccc(F)cc3Sc3ccc(C(F)(F)F)cc32)CC1	1570576	CCUOZZURYIZOKX-FQJNFEMKSA-N	451.529	6.225	10	40	JKCB	in-vitro
CCCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2N)C(=O)c2ccccc2C3=O)cc1	2278759	KYUSGKAVQIAZNU-UHFFFAOYSA-N	496.610	7.512	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OCC	3768658	MDDXBMAMMLUYML-XDHOZWIPSA-N	492.460	6.269	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(CC)cc3)SC2=S)s1	8764024	CFGTXPXXSIYDLB-SAPNQHFASA-N	474.677	5.063	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c1	8821366	ZHAUQQRXWWQIKZ-UCQKPKSFSA-N	466.027	6.942	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(N4CCN(c5ccccc5F)CC4)=NC3=O)cc2)cc1	8821752	KRFUCKRVRMGTOW-ITYLOYPMSA-N	487.600	5.506	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1	9015994	CVEVCWSKDFKXAJ-XQNSMLJCSA-N	471.944	5.164	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1C	9209652	MYTFIRRMQMOWQM-LMEPTBFJSA-N	489.626	5.416	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(Nc4ccccc4)=NC3=O)cc2OC)cc1	9956949	FSVRXJGEGPHBPP-PXLXIMEGSA-N	460.511	5.005	10	40	JKCB	
O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)c1ccc(O)c(O)c1	13139099	UKWZUQSEIIEGEK-UHFFFAOYSA-N	473.598	5.914	10	40	JKCB	
CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)c1	16639360	UEOUMSVTVYVHJX-UHFFFAOYSA-N	457.574	6.772	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	59198145	KKWLRTSEIYWGHD-UYRXBGFRSA-N	465.303	5.508	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	223759508	BVMQDPNOQKMDPE-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	408643156	OYLZCUOFUHVVHA-IBGZPJMESA-N	456.929	6.277	10	40	JKCB	
CCCN(Cc1ccccc1)C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735893	YAFYGWYXMBCXRF-UHFFFAOYSA-N	470.576	7.534	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)c1	408778880	ZBJCZRKFVABVAM-PCLIKHOPSA-N	463.537	5.531	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2cccc(F)c2)c(Br)c1	408865153	BGEFYMKTPYCHOH-MOSHPQCFSA-N	495.373	5.010	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc12	408945885	XQWRLMGBYNAILS-YZSQISJMSA-N	476.532	5.869	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409007289	OYKXALSBAQXOHP-XKZIYDEJSA-N	471.409	6.680	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409018873	ZPXSYLNDDQXXLP-JCMHNJIXSA-N	458.533	5.727	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)c1	409019842	YHIKLCDWOSAHNS-XDHOZWIPSA-N	468.987	5.836	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1	409032351	CVFYLMGEDASUDV-MHWRWJLKSA-N	476.376	5.906	10	40	JKCB	
CC(C)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	409043835	FNWOHERFKHEYOY-GIDUJCDVSA-N	467.736	5.348	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1OC	409050813	AEDJSYDRILQLPJ-GRSHGNNSSA-N	478.433	5.566	10	40	JKCB	
CSc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409096056	JJMDJGQDJRFDDT-FYJGNVAPSA-N	480.611	6.206	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O	409125274	JPWZVUATCFENCS-BUVRLJJBSA-N	480.561	5.495	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)N1CCCCC1	409141648	JKORLGFIEROOLQ-KQWNVCNZSA-N	481.687	5.435	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S	409193118	CBWNZLXXMRFJKR-FYJGNVAPSA-N	455.004	5.875	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)NC1=S	409232786	PWXLUSYIJGSRJL-HZHRSRAPSA-N	457.599	5.357	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1OC	409345301	LDLACDVEJCFSCO-YBEGLDIGSA-N	497.379	5.023	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1Cl	2395100	QNXUVRJRWFMSGQ-GZTJUZNOSA-N	485.721	5.337	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1)c1cccc([N+](=O)[O-])c1	6475306	AQWCLNCEJYOJNP-VBOOUTDYSA-N	461.521	6.827	10	40	JKCB	
CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O	8920859	NRJMLNGSGVPUQR-PRWKNARSSA-N	483.461	7.129	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)c(OC)c3)SC2=S)cc1	9296600	QLVHOHYXBMVVND-PXLXIMEGSA-N	477.563	5.329	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCCn1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21	13810859	LIJKYGPDVJRWTJ-GWCJVYHOSA-N	498.652	6.791	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009294	XTLZWKAUAURZPE-UCQKPKSFSA-N	490.531	5.128	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	16712298	REYBWBRZKCXMLY-NURJGKTBSA-N	480.523	5.190	10	40	JKCB	
CCOc1ccc(C2=C(/C=C3\C(=O)NC(=O)N=C3O)[C@H](c3ccccc3C)c3ccccc3O2)cc1	17159874	YFNYMLOMSAJRTR-RUZDIDTESA-N	480.520	5.462	10	40	JKCB	
C/C(Nc1cccc(Br)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288256	JGXIJWUCGHUNSR-QNGOZBTKSA-N	489.398	6.196	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1	58846628	FWKHAPBFPHCBTR-UZINWLIJSA-N	499.463	7.238	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	223387591	PPZFEUSZCLTASC-VSGBNLITSA-N	481.669	5.728	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542475	XIUDUZSPRKQXPY-CLJLJLNGSA-N	488.060	6.019	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(=O)O	224434757	BRJQNRJMWBZUMU-JWQCQUIFSA-N	486.572	5.504	10	40	JKCB	
O=C(Oc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1)c1ccc([N+](=O)[O-])cc1	408724427	KETJBERLXCQXIQ-UDWIEESQSA-N	496.953	5.873	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1	408764651	SESDBUUMSLVXGS-YBFXNURJSA-N	499.806	7.402	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1	408787005	ZRKFFXUTKUGXAZ-LGUFXXKBSA-N	475.548	5.682	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)c(=O)n3c2cc1C	408812622	PEFZSHCIYHTIDM-YVNNLAQVSA-N	451.954	5.274	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)c1	408818942	ZBOLVDBLZWXXQL-FYJGNVAPSA-N	481.335	5.547	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408862410	JESFPPHPUZASCD-RNHFSVANSA-N	480.377	7.002	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O[C@@H](C)CC	408898758	MLPNYEQUNJMHJW-ZVCOJXFSSA-N	470.953	5.199	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3cc(Br)ccc32)cc1	409134914	OUBCQYOXNKKVFJ-JAIQZWGSSA-N	487.444	5.622	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	409160906	XWWJYYYLFBIJJM-JCYRPKCISA-N	462.456	7.876	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409194677	QCWBCFXLIJVRRL-SRZZPIQSSA-N	473.381	6.650	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c([N+](=O)[O-])c1	409211899	OOYRQUDWUXBJGX-ODLFYWEKSA-N	490.484	6.588	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O	409228411	YOYNKXIPSNEARH-BKUYFWCQSA-N	485.993	5.014	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(F)cc1	409238436	AABJTXWVCDVJED-SRZZPIQSSA-N	467.497	5.047	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1	409330329	KUJCLJOAOVMTLT-PXLXIMEGSA-N	459.617	7.298	10	40	JKCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	409406703	KSZQIXBGCYFDSV-WOJGMQOQSA-N	469.324	5.042	10	40	JKCB	
Cc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3cccc4ccccc34)C2=O)s1	722528	UHCAAOBCLUXSBX-CJLVFECKSA-N	454.576	5.958	10	40	JKCB	
CCOc1ccccc1N1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O	2283824	CVIWTVCEWWJYOO-CJLVFECKSA-N	465.509	5.595	10	40	JKCB	
Cc1ccc(Sc2c(N)c3c(c(N)c2Sc2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	6407168	NJXFGCOKCUIRJH-UHFFFAOYSA-N	482.630	6.546	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	8816295	IDQWKSKFMIDOKI-XHPQRKPJSA-N	457.570	5.829	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O	9444698	UMUKHBDXPXSFLI-JGCFGRGSSA-N	478.683	6.052	10	40	JKCB	
CCc1ccc(OCCCOc2c(Cl)cc(/C=C3\SC(=S)N(CC)C3=O)cc2OC)cc1	33430447	XAURPSZNAXSDML-QNGOZBTKSA-N	492.062	5.980	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC1=S	33870490	DDVQXTQEKDRUIM-QNGOZBTKSA-N	488.012	5.883	10	40	JKCB	
Cc1ccc2c(c1)c(/C=C1\SC(=S)N(C)C1=O)c(C)n2Cc1ccc(Cl)c(Cl)c1	41077649	KPDUFWUMXHKOAB-JMIUGGIZSA-N	461.439	6.444	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	41083163	KGPCHHRNOBGCAJ-ITFAFNGDSA-N	497.020	6.127	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	41108477	ZOQPCFPXROCGPA-DZMCVATHSA-N	483.641	6.837	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c(C)c1	58846266	OUIBQLUOVVVDLR-UNVFRBQDSA-N	498.570	6.950	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1	59198279	LPGJKTGVIZJUBJ-KGENOOAVSA-N	491.341	5.843	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1	102548238	ILTQYXJWJDGBST-UYRXBGFRSA-N	463.896	5.303	10	40	JKCB	
CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	103450619	YKIOWDTYBKHRHI-PMERELPUSA-N	493.651	7.639	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1	106725122	FYFJRPHYPBNITH-XKZIYDEJSA-N	481.415	6.402	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1cccc(F)c1	113833999	CNINMYLIRZJKPW-MFKUBSTISA-N	471.578	6.964	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc2[C@H](C)CC1(C)C	208309930	SIWARWNDTBUFJW-FAPYRAKZSA-N	474.457	7.188	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223382004	SBNRYZPMCNJMST-KAYWLYCHSA-N	452.627	5.970	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223541710	KCALLZAGNHDYRY-CLJLJLNGSA-N	488.060	6.019	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	224154379	ZHXINBZRMSLSRV-DQEYMECFSA-N	492.570	6.685	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc2ccccc12	224162736	WZIUZNBXOGXJKC-VMPREFPWSA-N	474.633	6.819	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C	224260317	SOOOYZQVXMFBGA-CLJLJLNGSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccn1	224457303	UCVPULFLLPGUIW-DNQXCXABSA-N	460.006	5.715	10	40	JKCB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)C1	225692260	SUKMLGSWFHQKBJ-FQEVSTJZSA-N	450.652	5.036	10	40	JKCB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	245053471	OVWVPIOHDHHHGH-UHFFFAOYSA-N	464.591	6.165	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408694235	GVOXSAGZBXOTDR-HZHRSRAPSA-N	474.944	5.477	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1	408758752	QJUHPUKJFZBWAD-LPYMAVHISA-N	463.990	5.141	10	40	JKCB	
C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O	408801522	ULAZDHJQMMYFPW-XSXPQHRMSA-N	499.498	6.569	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1Cl	408816591	RXBKQWBYCNCAID-UHFFFAOYSA-N	471.433	6.781	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1cccc2ccccc12	409101191	AHVNQXBVDJASQV-HZHRSRAPSA-N	493.606	5.493	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)cc1	1151425	KHEJNTBUISSKFH-XKZIYDEJSA-N	491.525	5.025	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(Cc5ccccc5)c4C)C(=O)N=C3S2)c1	8453171	BMDZUPOGOJGYOZ-BIRLBKGPSA-N	453.571	5.129	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)c1	8819195	LUPJUKQFVKKBJF-CLCOLTQESA-N	494.682	5.158	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1	9309652	VPOGOHKHWHYMLF-IZHZPMQVSA-N	487.673	6.636	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Br)cc1	20032353	NQWDWZKUTPSYGX-HRIUQOHOSA-N	454.349	5.113	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)ccc1Br	59109551	ZUGYYBXRUZWCCE-DEDYPNTBSA-N	484.394	5.800	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314939	VLBIDAVOCPLATJ-OWAUWMPXSA-N	497.064	5.303	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c(C)c1	223350917	SDTUTXNYHIJPSQ-AHKZPQOWSA-N	470.642	6.180	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223722881	YUFDCMYQMYOWQS-BJKOFHAPSA-N	483.037	5.068	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224239177	VPJKBBMVHQYZAV-SXOMAYOGSA-N	482.609	5.703	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(F)cc1	224367542	VYVZQFQUCQDCFI-NSOVKSMOSA-N	484.644	6.929	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1F	224898836	WUXSLBCTVKHMNC-IZZNHLLZSA-N	474.580	6.253	10	40	JKCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nc(-c3ccccc3)cs2)SC1=S	256055477	IEXJQTUCDZNQPE-HZQOKBKYSA-N	495.651	5.098	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Br)c3)C2=O)cc1	408873775	WZHRPJUFBHEAFL-FYJGNVAPSA-N	493.332	5.154	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1Cl	408880515	ICTJVIZZPBWWEU-YBFXNURJSA-N	499.325	5.686	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1c1ccccc1	408903179	VEYUDCUYKALIKL-UDWIEESQSA-N	490.408	7.117	10	40	JKCB	
Cc1cc(-n2c(C)ccc2-c2ccc(Br)cc2)ccc1I	408964153	CAKOPVVFGXGHDB-UHFFFAOYSA-N	452.133	6.128	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1	408983372	BJGQKRSRNOEBQK-XSFVSMFZSA-N	460.917	6.427	10	40	JKCB	
CC[C@@H](C)Oc1c(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cccc1OC	409021170	YOBUMJQDUOJMLS-WBFOAEISSA-N	472.994	5.090	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409184686	ZODLFEALJUNCMF-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1	409247292	MCPYKDQDDSVVNY-OEAKJJBVSA-N	483.568	5.277	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C(=O)NC2=S)cc1	409250864	YOQMCXDLNXGZSD-XDHOZWIPSA-N	495.944	5.463	10	40	JKCB	
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1	3309142	FUEVNEJLMRBKMI-UHFFFAOYSA-N	470.641	6.251	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	8820156	PUOSGGRXPZXVDQ-QNGOZBTKSA-N	487.046	5.943	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCc1ccc(Cl)cc1	9038873	VCRRTENZTKMIOK-OEAKJJBVSA-N	482.026	6.329	10	40	JKCB	
COc1ccccc1[C@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCO[C@@H](C(C)C)C1	9076619	YHCSBWVYRBEFRR-VSGBNLITSA-N	452.639	5.273	10	40	JKCB	
CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1	13940416	LPAYPNXXWHFMKA-XHPQRKPJSA-N	479.580	5.479	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	16713580	YDVDPBCNHMNVHM-FQCLSNDXSA-N	484.470	6.183	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S	27018131	RLNXWRMXABMNNR-QJOMJCCJSA-N	477.655	6.329	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(Nc3cccc(Cl)c3C)=NC2=O)cc1OCC	33409611	ZCCFCYONZOAHQJ-UDWIEESQSA-N	474.966	5.071	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)cc1	41108440	HWJJABNYFVDAHN-PEODKBGFSA-N	489.626	5.416	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	58847991	JAWVISMOAFFJMJ-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223005117	DCAFQCCLBKYVIZ-UIOOFZCWSA-N	456.615	5.261	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c(C)c1	223102516	ZHNCHZWGSGRELR-XTEPFMGCSA-N	472.702	6.720	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223465066	ALPHJRMNCGAKHE-XNMGPUDCSA-N	467.642	5.674	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223498438	WZVDCUFKBRMNKA-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223799101	YSZOIGZCDWYRJM-RRPNLBNLSA-N	484.625	5.771	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224301181	XRUADOBKDVPIQZ-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224305390	ZLJGDJGATPKZJJ-PXJZQJOASA-N	480.681	6.900	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c(OC)c1	224812887	HCDOMIAFDCEEPT-SXOMAYOGSA-N	499.640	5.387	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	260910000	BKNCYSUKIHTUBP-LOSJGSFVSA-N	456.615	5.596	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1	408572337	GHLUYXFIHRPJQA-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1	408577855	UWVRQFLVHZSZDC-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	408903491	YOWXZJKJZFDMMJ-HYARGMPZSA-N	495.025	6.072	10	40	JKCB	
O=C1C(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	409019326	IRMJTSYDZOLNNY-UHFFFAOYSA-N	452.441	5.669	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)c1	409104057	IJMLVDVNLYQDBQ-PCLIKHOPSA-N	478.552	5.087	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OC	409197992	TXNFOCFUZMYGPV-LICLKQGHSA-N	450.379	5.262	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1	409232946	CMKVPHKELIMNOZ-XDHOZWIPSA-N	499.444	6.284	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)c([N+](=O)[O-])cc1C	409341267	ATPFOTPWVRHDSZ-XKZIYDEJSA-N	479.583	5.943	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S	409378103	LVYKJSWBWFYZIS-JAIQZWGSSA-N	461.439	6.526	10	40	JKCB	
O=S(=O)(Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccc(F)cc1	940623	HYCYPBNLEBQUOV-UHFFFAOYSA-N	482.583	6.246	10	40	JKCB	
COc1ccc(Nc2cc(N3CCC4(CC3)OCCO4)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2302397	NWECLEGPXDCJHE-UHFFFAOYSA-N	483.524	5.135	10	40	JKCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1	8435395	UXOKQCMDRPLSKZ-MFKUBSTISA-N	478.552	5.127	10	40	JKCB	
CCc1cc(C)cc(OCCOc2cccc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2)c1	9679158	CMSOAKMWAYQXNX-NLRVBDNBSA-N	484.552	5.830	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C(=O)N=C2S1	13942625	QDMXKTJFKWDJAU-XGCFFSCVSA-N	480.565	5.613	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	17150203	UTUXIVSTAINJJC-IWIPYMOSSA-N	476.960	5.633	10	40	JKCB	
CCc1nn2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)c(-c3ccc(Cl)cc3)nc2s1	41074272	QEMAVMVOUXGXHT-ATVHPVEESA-N	483.043	6.079	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1OC	59861200	PLUFFTDGSRMDAR-XNTDXEJSSA-N	473.323	5.062	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(Oc5ccccc5)cc4)C3=O)n2)cc1	100687234	QTKTUXBHNJOJJC-RVGLIBJPSA-N	483.553	6.486	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1	102623533	DYBWMFLPTMRDPD-JJEHFPDLSA-N	494.806	5.340	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc2C(C)=CC1(C)C	208521633	HAFOVJBBKXKIRH-UUYOSTAYSA-N	452.023	6.753	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1	222923499	JZGHPIMMQAXZQZ-RRPNLBNLSA-N	475.706	5.964	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222950554	YPYALPQAWABVTP-PKTZIBPZSA-N	472.580	6.281	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1	223409283	ZVAVYKZEFNUCLB-UHFFFAOYSA-N	493.673	5.046	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Cl	224165750	XTDAIRHUWLKRPE-LOSJGSFVSA-N	459.018	6.320	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C	224267627	PFOYTAPIGYBOAQ-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224434634	NSPGZSDXDJLYME-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c(OC)c1	224812940	HCDOMIAFDCEEPT-RRPNLBNLSA-N	499.640	5.387	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)nc1	225049766	RLOSCQCMPHVEHR-WUFINQPMSA-N	496.684	5.667	10	40	JKCB	
CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1C	225173578	BXMNNFJCKUXBKB-WUFINQPMSA-N	495.652	6.015	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	408802869	IOOFTFDGDOPLQJ-WOJGMQOQSA-N	497.334	5.247	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1Cl	408824491	QNTBAVSPUZNHMH-QPEQYQDCSA-N	487.261	5.466	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1cccc(F)c1	408869591	SRZOBRPBZJPCHT-HZHRSRAPSA-N	472.516	5.098	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409060477	WAGNDCURIDIWJW-IWIPYMOSSA-N	478.951	6.154	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)SC1=S	409127687	FNLGZKQFPDYAKJ-BKUYFWCQSA-N	470.620	5.214	10	40	JKCB	
COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	409159948	CRYFCNSGUYEKJH-HSZRJFAPSA-N	484.042	5.899	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	409176442	NLVYNBCHWDTSMW-RGVLZGJSSA-N	457.935	6.348	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	409177944	HNIJNWJGVDGWQO-WQRHYEAKSA-N	461.992	6.938	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccccc1	409234406	WKHOXUWIBOUCLS-BKUYFWCQSA-N	465.962	5.423	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl	409242695	SJPFZQDVQMXVEX-FYJGNVAPSA-N	463.990	5.394	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)cc1	409350339	RKMNBONUOIFXQA-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	2290051	HMDRCAAYZWCHGI-JLPGSUDCSA-N	467.619	6.249	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)n1-c1ccccc1F	3365790	HRQRHGLXGNYQAD-UHFFFAOYSA-N	483.572	5.851	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccccc1Br	8872234	CUNPUIRLFVGGJF-NBVRZTHBSA-N	481.187	6.683	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1Cl	9232466	HKDHOODIOUDNLI-LICLKQGHSA-N	498.409	5.350	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2c(F)cccc2Cl)SC(=S)N1Cc1ccco1	9849595	WBYDZBPXGOCYBU-JAIQZWGSSA-N	459.951	6.053	10	40	JKCB	
Cc1c(C)n(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(Cl)c2O)c2ccccc12	16779690	ZECOSGGDZOKUNT-UHFFFAOYSA-N	471.922	5.315	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1CCc1ccccc1	16790643	RQKOQMVUHHLXTP-MOSHPQCFSA-N	460.407	6.697	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	20168317	SZMKHYLMFCQDMN-ZWKOTPCHSA-N	463.640	5.974	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc([N+](=O)[O-])ccc2C)cc1	20289158	UGFFLNDDTZAAON-KQWNVCNZSA-N	460.465	5.188	10	40	JKCB	
COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@]4(C(=O)N(c5ccccc5)N=C4C)[C@@H]3C2)cc1	25184432	HPOGXLKBIXABFL-XTEPFMGCSA-N	487.003	5.009	10	40	JKCB	biogenic
Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)cc1	27549548	WRWVRCSCHIJGMW-VHDUERLVSA-N	462.575	5.118	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1nc(-c2cccs2)ns1	27987567	MINPLVWRBOFFRM-GXDHUFHOSA-N	493.060	5.150	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	31849031	WVGREDAVWZZRLN-JLFKZYKSSA-N	476.355	6.013	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1Cl	41076760	GTWLRGLENVCQRR-JTPDXPAISA-N	479.949	5.017	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)cc4)C3=O)o2)cc1	59418157	NUPXDBLBZJFVRA-KGENOOAVSA-N	465.552	5.538	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c([N+](=O)[O-])c1	222926279	UWKMOMOOUQCPCB-RPWUZVMVSA-N	479.606	5.034	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cc(Cl)ccc1O	223529025	WIEKLFZYCFHRQH-LOSJGSFVSA-N	490.032	5.416	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223975908	KTULIGFMWVQCEX-SXOMAYOGSA-N	497.624	5.330	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224334105	HPAYFXODJQUWIT-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Br	225016098	IQXVEOPODMGODT-ZEQRLZLVSA-N	495.490	6.167	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c(C)c1	225019314	FYAPNXVITWYIEU-AHKZPQOWSA-N	458.675	6.330	10	40	JKCB	
C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1	225956544	IUQSISPXSMYONR-CALCHBBNSA-N	492.615	5.065	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21	260919591	MLLHGIVQCSRTLF-IZLXSDGUSA-N	497.712	6.188	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1	408762781	LFPISWMLYWNFHY-XSFVSMFZSA-N	460.942	6.103	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)O)ccc3C)C2=O)cc1OC	408763544	GAKKGVITQGYENK-UDWIEESQSA-N	475.928	5.835	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	408819619	ZRJBSMQVRDHAAU-QGOAFFKASA-N	467.308	5.239	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408872945	LQHJULCPMNZGHG-CIAFOILYSA-N	469.299	5.390	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1cccs1	408935596	IAUMGGHDZMTGFX-WOJGMQOQSA-N	473.337	5.300	10	40	JKCB	
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)c(C(F)(F)F)c1	408940353	CDVLIUPLOVARLW-UHFFFAOYSA-N	472.688	6.596	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408969045	GGOWFSSLSMKLFC-HMAPJEAMSA-N	479.889	6.692	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409072700	KNBIYWWYVAYJOO-BUVRLJJBSA-N	462.981	5.691	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	409194971	NVMILLIYKCUIFX-HZHRSRAPSA-N	468.940	6.665	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1	409237368	UBALHBUSQMQPMI-PTNGSMBKSA-N	487.762	5.194	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409346599	NXMVEJFMYRPIFC-JWGURIENSA-N	478.551	5.458	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccncc1	409347598	QLQAXNVIYCHEFD-BKUYFWCQSA-N	468.987	5.728	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccccc1F	409383570	XARJRDQXGGCAEE-PJQLUOCWSA-N	452.315	5.645	10	40	JKCB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccccc1Br	929893	IEXIMLOUDZMBGM-KRWDZBQOSA-N	472.408	5.222	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	2371092	WCJCVBCTHCXPFZ-UHFFFAOYSA-N	499.346	6.153	10	40	JKCB	
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2999084	RQFNEEPHCCRAJH-WDZFZDKYSA-N	482.151	5.597	10	40	JKCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	6065442	TWEVKQQOYPVUFN-PCLIKHOPSA-N	488.613	5.440	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	8821834	KECPBTJYBZJFFB-WOJGMQOQSA-N	469.316	5.490	10	40	JKCB	
Cc1cccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)c1C	8915960	UISPSFDLKXCPHQ-NLRVBDNBSA-N	489.662	6.553	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(OC)c2O)N3)C1	8919543	UMEJCPPRYYOLTQ-WLRWDXFRSA-N	479.440	6.195	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	9190778	FZOWFQHSTDJXEN-OAXZUEFOSA-N	473.577	5.884	10	40	JKCB	
CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(Cc4ccc(OC)cc4)C3=O)ccc21	9311766	WTJPZMISWYOZOO-BUVRLJJBSA-N	458.608	6.224	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(C)c1	9444638	DKSFSPHQEDAWGR-CPNJWEJPSA-N	459.036	5.885	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(=O)c1cccs1	16156442	SAHKSEFQZXLSHC-YBEGLDIGSA-N	496.928	5.134	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	20033645	XMSOHUHYGBUPGX-WATLYSKOSA-N	495.000	5.974	10	40	JKCB	
COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc1	20289029	KXIFJTPJGBGIHR-KQWNVCNZSA-N	498.564	5.229	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2cccc(F)c2)cc1	35375247	CHHSKVCAMRVNCK-PKAZHMFMSA-N	481.527	5.274	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58849024	QGJSJHSBEKSIAQ-ATLLOTDBSA-N	476.554	5.021	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c(OC)c1	58849227	CWFOINBLDZKHRA-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc(Cl)cc1	59136082	DIQDQOUPZFYVBM-LDADJPATSA-N	496.947	5.738	10	40	JKCB	
C[C@H](NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1Cl	96936037	YIUJUBPNSRABFP-XACIZNRCSA-N	483.417	5.601	10	40	JKCB	
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)c1	100278502	QCLQWQSSTRCQOA-DEDYPNTBSA-N	454.404	5.558	10	40	JKCB	
Cc1oc2c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)ccc2c(=O)c1-c1nc2ccccc2s1	100650998	KQYBKHPFDHPYKD-YMGMXPECSA-N	474.626	6.484	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)S2)cc1	108118581	VEJFLXDDDKVCNV-HMAPJEAMSA-N	477.973	5.748	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C	208325107	QNZOFGFJUYHNHF-SUVVMJBMSA-N	495.620	5.921	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607135	YGHJRDBGVYTGHT-AHKZPQOWSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1O	225345122	CZHZYCUXMVXXLF-NSOVKSMOSA-N	498.652	6.159	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1	408573731	KDXBXJXXQPEABP-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1	408772632	DSWRUZXYGCYOTQ-LDADJPATSA-N	468.340	5.376	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	408983835	DJYFYFTYKDMJOX-XSFVSMFZSA-N	464.348	6.641	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	409002451	UWSJQEDUPNWNFU-MOSHPQCFSA-N	454.364	5.624	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022330	KDQCUYPKIXFPNY-XHPQRKPJSA-N	453.538	5.181	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(C)=C2C(=O)OC)cc1OCC	409061303	CSTRCHFGRZFXTB-JXAWBTAJSA-N	455.938	5.405	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(C(F)(F)F)c1	409216662	NLWXIXKEOBVTCM-VGOFMYFVSA-N	489.294	5.782	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1	409245237	PLXORECOYULCEX-MFKUBSTISA-N	497.595	5.783	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1	409250355	NGZXAFFLPSROST-XSFVSMFZSA-N	463.990	5.141	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	2303868	HRKAQEGAEPEONF-XHPQRKPJSA-N	453.538	5.181	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	2430088	YOUFUNVJGXFIDD-HGMBWOCJSA-N	453.571	5.129	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21	9090140	OZKHCTXAQCTIFS-NXCFDTQHSA-N	451.497	5.157	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1	9262095	FDWQIBZBOVHOLL-ZHZULCJRSA-N	490.353	5.716	10	40	JKCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SN=C(SCc3ccccc3)N12	13514578	UBRKLUOOWUJXAY-NBUXHNBQSA-N	463.371	5.209	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1	13777411	JNCZLNLAKJGQMK-KRINNEIUSA-N	480.637	6.912	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCc3ccccc3C2)cc1	16913999	DCZOQFUGOXCDJN-TXDHVUEDSA-N	457.662	5.185	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	17780067	YKJMQPTYJSHAOV-MTIDIVMFSA-N	490.397	5.642	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21	27549075	DOZLITTWRUHQOT-CAPFRKAQSA-N	499.498	5.375	10	40	JKCB	
O=C(c1cccc(Br)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O	27827285	RRSHAIRQUKVJFK-FQEVSTJZSA-N	455.739	5.800	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OC)SC2=S)cc1	32936673	FPDWRRDHORYKAI-GZTJUZNOSA-N	450.379	5.262	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3Cl)C2=O)cc1	33330989	GPHVAIINVHRHMH-HKWRFOASSA-N	498.366	5.943	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Br)cc1	33370725	LZBJZTLVEQMTBH-KGENOOAVSA-N	477.314	5.535	10	40	JKCB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847145	WZXZTOHPZMWFTN-YZUZCNPQSA-N	465.506	5.361	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc(Cl)c1Cl	205734855	OBHFDQWCUFBORR-RQZCQDPDSA-N	467.374	5.389	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[C@@H](C)CC1(C)C	223565614	YAJTWKSPMUMFLN-ICODJCHTSA-N	469.050	7.077	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(N2CCCCC2)cc1	223979672	ZGOUSRHCOPXLGM-BWAHOGKJSA-N	459.615	5.134	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224209341	ASUGBDCGEBFZLE-UIOOFZCWSA-N	453.615	5.678	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224602222	SJMHOJSSVSESNV-SXOMAYOGSA-N	468.626	5.934	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1cccc(Cl)c1Cl	408526733	CGVIFNAVKGZVOO-JCMHNJIXSA-N	480.439	7.180	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1cccc(Cl)c1	408578314	XKKDRZYYIJDXLY-XKZIYDEJSA-N	495.025	5.759	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1	408638487	CQODJJRTYCUBJA-GOSISDBHSA-N	491.374	6.931	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1	408724052	DEZIIGDXMYWUHW-KGENOOAVSA-N	492.534	5.228	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)c1	408773811	XJTBRILNBHTXSV-WSDLNYQXSA-N	492.373	5.140	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1	408937333	OCHCUHZUSQFIME-KQWNVCNZSA-N	482.923	5.739	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	409068880	JZFCLRUABQKAOY-GXDHUFHOSA-N	493.755	6.057	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	409243624	XEOJOLNFDRWTGN-SSDVNMTOSA-N	497.960	5.901	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccn3)c(OC)c2)SC1=S	409351084	ZGOQFHIVGCUQJB-BOPFTXTBSA-N	479.421	5.043	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)ccc1OCc1cccc(F)c1	1161744	AUKRTYHZUJRGBK-HZHRSRAPSA-N	488.515	5.873	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4scc(-c5ccccc5)c34)c2C)cc1	2679461	FDVZMUGEQHIXSO-UHFFFAOYSA-N	469.635	7.049	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	8453479	OGFFLAXRDFHZTR-BNLMHUEYSA-N	475.577	5.915	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1	9282631	VNDRKTXYLQGOEN-IEUSDUHPSA-N	470.057	5.493	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	9282670	BAMQXUIPCRKSFS-KQHQIWRUSA-N	484.025	5.812	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)c1	9347679	RLRNUHFZRBHVTM-QJOMJCCJSA-N	493.654	5.566	10	40	JKCB	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	13109368	FFPWQEVVNLEQNB-DIMUYLFMSA-N	488.544	5.535	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c1C	15013590	SSFBRYKGNVEHJJ-BUVRLJJBSA-N	487.625	5.948	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Br	20032495	UKSUNOLDJQLLFX-VFHVDCSJSA-N	498.402	5.301	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58846355	XPAPGBJCBNESAI-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1	58865944	PDRIZOJGXIZFJO-UHFFFAOYSA-N	477.738	5.435	10	40	JKCB	
c1ccc(-c2nnc(-c3ccc(/N=N\c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1	102418453	WPMBRYPLXIEGBP-FLWNBWAVSA-N	470.492	7.536	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c(C)c1	223390023	JXTGPUXNPITUEY-YTMVLYRLSA-N	480.681	6.587	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223568419	MQGAHANVYDQWRS-RIWZNOJBSA-N	495.023	5.372	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C	223585697	NQHYQQXFPLUYBW-QCYAWUEASA-N	491.657	6.091	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224237556	SVXXNURUMLFVTD-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	224464860	DBZUQEQQZBLDNB-LOSJGSFVSA-N	493.463	6.973	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	408532406	OFOXKOJZWAZTNB-XSFVSMFZSA-N	455.645	6.402	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1	408741447	IYTYYBXYXHTJDO-WOJGMQOQSA-N	485.736	6.802	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408765146	ZSKDFIGMFYGZFO-CPNJWEJPSA-N	467.352	7.182	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408773836	XPTLMYOBHWXENK-PCLIKHOPSA-N	482.923	5.739	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(F)cc1	408804254	DVDAUKMNQVUVHL-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)c1	408818255	XHHKLCVYHBKTSH-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	409020415	PAKZFRZAFDPKCI-GJSJWPQCSA-N	483.804	5.655	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)SC2=S)cc1	409052662	LLPPMBPPYPRDMV-JAIQZWGSSA-N	493.959	7.329	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)NC1=S	409167052	ICNOFNXREFHONJ-JXAWBTAJSA-N	480.998	5.331	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409202166	POLDIKSJAQSVMQ-BKUYFWCQSA-N	493.566	5.895	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1cccc2ccccc12	409338107	DCQFWKDRXCLAJC-XYGWBWBKSA-N	498.585	6.733	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	409346976	OYNJAJCCQLWWFO-NDENLUEZSA-N	473.497	6.574	10	40	JKCB	
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3c(C)cc(C)cc32)S1	2286693	BQBITORLYAPZFT-PLRJNAJWSA-N	495.691	6.509	10	40	JKCB	
CC(C)Cc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)s1	8819709	KOVVPNPLIHGGQM-VKAVYKQESA-N	474.677	5.137	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)c(OC)c1	8821721	GESRHOOVWCJBHV-QRVIBDJDSA-N	480.973	6.019	10	40	JKCB	
CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	8989947	CECDBAFRFRCQLC-UNOMPAQXSA-N	452.264	5.423	10	40	JKCB	
Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C12C(=O)c1ccccc1C2=O	9192329	CZDQIZDNFVQHLX-OIFRRMEBSA-N	495.578	6.311	10	40	JKCB	
CCOC(=O)[C@@H]1[C@H](c2ccccc2OCC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16007433	SUMXYCURLOGNBG-QKDODKLFSA-N	493.559	5.082	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	26965627	IXKRBOYNPCJUSL-PZLPMSIKSA-N	491.638	5.318	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)ccc1OCc1ccccc1F	33424046	IVGTXMLWPDIUEX-ODLFYWEKSA-N	480.879	5.573	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	35898104	WZBBVSIUHDLBJA-HLJPGJHGSA-N	461.624	5.151	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1	100525094	HVJQAUZCMCXXCG-IUBFCHALSA-N	454.353	5.756	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1O	100651002	JXQJYEHDXZEKRY-PKHCJMHPSA-N	499.655	6.324	10	40	JKCB	
CCCC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl	101901208	ULTCHVCSGSYBFV-PZDLKQIWSA-N	472.829	6.001	10	40	JKCB	
S=C(/N=N/c1ccc(/N=N\c2ccccc2)cc1)NNc1ccc(/N=N\c2ccccc2)cc1	104380861	BHAPHPAFDMFFDH-VCSAOBITSA-N	464.558	8.503	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208324768	DNEXJASTJCSVIO-QHSFOXILSA-N	491.657	6.091	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223824572	HSZKOEQOZBICNL-UIOOFZCWSA-N	483.641	5.768	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1F	223895200	ZZIKWCIGTRJSLY-SXOMAYOGSA-N	485.632	5.871	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C	224565008	ZYHGOOQWQQQPGR-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1F	224602429	PSMLQJXJYFAQLK-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1N1CCCC1=O	225671114	YBFNDYFCYQRNFL-QUCCMNQESA-N	450.652	5.406	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)cc21	260926986	XQAMAVMJMWXQPS-KAYWLYCHSA-N	468.670	6.507	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)cc1	408874684	FDMDSYILHQHVTG-UQQQWYQISA-N	464.546	5.250	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c(C)c1	408903488	YOOCOCSYVOTINY-HYARGMPZSA-N	462.596	5.595	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)c(Cl)c2)c1C	408904740	NVFPFCZFXFGFSM-UDWIEESQSA-N	468.782	6.316	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409328746	AKOYXRCKFPOJNI-LICLKQGHSA-N	479.377	5.550	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2)cc1	409347497	MKUGVGVAYNPMIK-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)c1	843195	JVIAXVQLNLMPNS-LPYMAVHISA-N	492.373	5.140	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S	2119633	LYBNNFJMFBIUKE-SXGWCWSVSA-N	454.798	5.513	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3cccc(Cl)c3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	2573639	FKXJIJPUEJCUBI-UHFFFAOYSA-N	497.334	5.594	10	40	JKCB	
Cc1ccc(C)c(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	8407892	NNUKJVYXOZTHSQ-AHXGQMSJSA-N	485.613	5.612	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2c(C)nn(Cc3ccccc3Cl)c2C)C(O)=NC1=S	8721671	GPOCRIDWAYMSMX-XDHOZWIPSA-N	464.978	5.182	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9210026	CYBXPLRSWSBRQX-OQZKWKKUSA-N	476.558	5.624	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9237534	QHLPXYUCALENQA-DSITVLBTSA-N	488.370	6.016	10	40	JKCB	
CCn1nc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(OC)cc4)c3C)cs2)c2ccccc2c1=O	9285643	MZNIBTNHBOMTRV-UHFFFAOYSA-N	499.596	5.208	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c(C)c1	9310276	UXRVDWCQTKZYNZ-UDWIEESQSA-N	470.413	6.732	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)S2)cc1Cl	12462323	BEXMRHRFARUCHS-GRSHGNNSSA-N	473.337	6.342	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([C@H](C)CC)cc4)cc3)C(=O)N=C2S1	26681024	XFFUQGCIMNYDFR-AZRVJJFTSA-N	476.602	5.687	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)ccc1Cl	33055319	WYFPYDLVSODIKU-UYRXBGFRSA-N	478.888	5.281	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	34719289	LCSQYSROQNMXOW-WTPQPOPRSA-N	483.597	5.387	10	40	JKCB	
COc1cc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	37171016	KMXXUKHKUCXOSL-VHSZZVNMSA-N	490.441	7.480	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	41076251	HWCVVEVJHGEFJM-NFLXFJMZSA-N	473.989	5.609	10	40	JKCB	
Cc1csc(NC(=O)CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2Cc2ccccc2)n1	44086374	XJTKKYYGLICSEK-UHFFFAOYSA-N	489.453	6.401	10	40	JKCB	
Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Br)cc2)N1	53363272	LNGMKWBKWIUQDO-CVDCTZTESA-N	485.765	5.759	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	80348253	CYIUMJYZAFBYRU-DMNVVODESA-N	451.983	5.048	10	40	JKCB	
CCN(CC)c1ccc([C@H]2Nc3cc(C(=O)c4ccccc4)ccc3N=C3CCCC(O)=C32)cc1	100424241	GNGDIDWIYAWJJD-GDLZYMKVSA-N	465.597	6.999	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	208467047	YUKPDNUBBIQFTB-FBHDLOMBSA-N	483.977	6.116	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(F)c1	223383851	PIDUDOFEDNDTSV-FTJBHMTQSA-N	456.590	5.801	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224339573	PXVFDUVFRVSGAK-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1	225015873	RYURWFMRAXRRFJ-BJKOFHAPSA-N	451.039	6.058	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225049364	SBHPYBOZFZPDPU-VSGBNLITSA-N	496.684	5.667	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\N=c1c2ccccc2[nH]c2ccccc12	408527050	DSDFOSNBBFRHJF-ZHZULCJRSA-N	471.358	5.599	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)c1	408808988	GPBYHNYFIOYVNZ-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C(=O)NC2=S)cc1	408818023	MOXDBXMKYFJWKB-KGENOOAVSA-N	462.958	5.059	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c1	408968205	XEKNLOQOMHJZFM-BUVRLJJBSA-N	480.593	5.090	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC1=S	409128372	DQXIEQNVRLCPBW-NDENLUEZSA-N	487.444	5.704	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(C(=O)OC)=C2C)cc1	409257603	RBPGFEFKJONIIK-UQQQWYQISA-N	483.564	5.714	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccc(Br)c(Cl)c1	409340009	OLTQWUNGTIZITH-VCHYOVAHSA-N	460.805	6.662	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)cc1OC	980752	MHSOJJPGHDPDMY-LICLKQGHSA-N	458.967	5.542	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)SC1=S	2245261	NNVGAOWHMGQHFX-QJOMJCCJSA-N	493.723	7.043	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1Cl	2415181	NHTWIAFSRPONTO-WSDLNYQXSA-N	487.918	5.457	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9290797	TXQSIIWODCKWQN-BJSVKANISA-N	486.306	5.582	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1Cc1ccccc1	13943329	RFWOEAPWOQHHLX-HMAPJEAMSA-N	452.000	6.320	10	40	JKCB	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	16194558	DSWMLIYGDVYRMW-RMKNXTFCSA-N	452.293	5.429	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(OCc2ccccc2)cc1	34234775	YSQXLZZHLYWRHZ-UNOMPAQXSA-N	493.313	5.240	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC	41078524	FIQFFAMZRLGGPE-QOOMBDJJSA-N	475.545	5.117	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	41083691	HMTDZKIDWKZFOE-PXQJKHDOSA-N	498.948	5.393	10	40	JKCB	
O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2[C@H]2C=CC[C@H]21	58850128	VWHCPOBTDVGGRK-TYPXCFOJSA-N	496.588	6.165	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(=O)c1ccc(F)cc1	97990629	VZRYKQHDMPLEKL-OEAKJJBVSA-N	476.529	5.753	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1Br	106725920	IERJBAWJNUBQFV-YVLHZVERSA-N	496.224	5.514	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)SC1=S	107994890	HMCROWLIKDMZBM-UCQKPKSFSA-N	466.603	6.033	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Br)c1	222830340	IREAFWKPZPEAMD-YADHBBJMSA-N	469.452	5.633	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223053888	ATJZULMSLIFCFP-PKTZIBPZSA-N	455.027	5.152	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224532169	YSVWHRQNFZFANC-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	260573728	ZOHGICKSIZHUJL-WMRWHDLOSA-N	482.049	5.672	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260918114	LAZGFGXSKDSQKL-AVPJRLCVSA-N	474.674	5.511	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)cc1C	408816994	VNCZBLJQRJCSHD-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1	408843132	QKRCLGXIPRYZFC-PXLXIMEGSA-N	475.342	5.379	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)C2=O)cc1	408900482	SXYLMXNTPUBYCC-BWAHOGKJSA-N	484.552	5.419	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409056686	NHVLSGHARWZSPJ-QFEZKATASA-N	474.988	6.242	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409060497	WLMGEQXEENWBBF-KQWNVCNZSA-N	474.532	5.509	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC(=S)N1C[C@@H]1CCCO1	409085148	NUGWMXGLCHHDGG-OLWAXZHHSA-N	473.925	5.999	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(C)c1	409132852	RSSOYBZCDNLQPJ-LDADJPATSA-N	468.987	5.532	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	409204320	FIDKZWXJBJKKLM-UNOMPAQXSA-N	478.433	6.042	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1	409341281	AWDVBISFOPFEHV-ODLFYWEKSA-N	456.476	5.408	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1	2059115	XGLRISGTDVVTCR-SGWCAAJKSA-N	471.556	7.002	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1	2349386	KJQMGJQORXCTRH-PZLPMSIKSA-N	491.638	5.318	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)SC2=S)cc1	9057094	YSSDYDCAVIEKIK-UDWIEESQSA-N	486.412	6.432	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(Cc4ccc5ccccc5c4)C3=O)o2)c1	9233171	KIGTUONKLQIBKN-YDZHTSKRSA-N	489.936	6.688	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1C	9271767	YEHNBPHYBPFXTQ-QRPNVLAJSA-N	485.613	5.612	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9487166	RJDRRLWMJNDVLV-DSNGMDLFSA-N	498.922	5.271	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1	16678639	SWQQJOUIHHTUOP-UHFFFAOYSA-N	462.550	5.607	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1	33533108	ORLKTASITPQNSN-MOSHPQCFSA-N	483.749	5.143	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cc(C(=O)O)ccc4C)C3=O)o2)c([N+](=O)[O-])c1	35040047	JKFAGCIBNMOOHS-JAIQZWGSSA-N	480.523	5.576	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]31C	35188579	LIBRFSNEVHBFKI-JQNGZBEHSA-N	494.701	6.262	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1cccc(F)c1	35386883	DTYTWKVWAQPCSC-OCLIGMCMSA-N	477.952	5.554	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC(c3ccccc3)=NN12	41107952	LWUHFCATWGKMEB-VVHVNJFJSA-N	480.574	6.251	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccc(F)cc1	41108858	MTISUKUBZDMHAA-ODLFYWEKSA-N	480.879	5.573	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1	58848435	CKZMXYFDLFNSDV-DFIYOIEZSA-N	466.990	5.976	10	40	JKCB	
Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C/C2=Cc3ccccc3O[C@@H]2C)cc1	100895359	UPIGZFGNBUMPRL-GGVNPZCGSA-N	452.579	6.281	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)N=C3C)o2)cc1[N+](=O)[O-]	102880094	OFBJHBZUICFTNG-LDADJPATSA-N	482.290	5.432	10	40	JKCB	
C/C(Nc1cc(Cl)cc(Cl)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920924	NIVTUIVAWVJGOI-STZFKDTASA-N	479.392	6.740	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1	223332480	XIGBTSOKPVLLJX-DNQXCXABSA-N	496.558	6.274	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)nc1	224241465	DKDFEYNXUDMLBN-IZZNHLLZSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1	224399268	IXTQNJZATTWEIJ-JWQCQUIFSA-N	460.553	5.944	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c(OC)c1	224812707	AVZVZNBWYDPLBE-FTJBHMTQSA-N	499.640	5.387	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408764096	WBNIRLZZUMAKRX-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2cccc(Br)c2)cc1	408765421	VWJSBWZTBIUZOS-PCLIKHOPSA-N	483.365	6.445	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c4ccccc34)C2=O)cc1C	408780159	UFCOAJXDHSSIJU-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1	408795264	BTGYDBHRUYLAPM-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(OC)cc2)cc1	408842680	PNUPQPNQZYOCJZ-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1	408878043	ZCXLCFKWIRKFAG-NBVRZTHBSA-N	495.760	5.360	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1	409115141	KKOWRKACYUNQPU-LDADJPATSA-N	484.339	5.076	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	409347868	NFGSHCDQMPPPHO-VXLYETTFSA-N	478.433	5.879	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	726221	QKBYHRBCPHIOQG-NVMNQCDNSA-N	484.346	5.178	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	2377206	NDRANGCRCSUIJM-ZONZVBGPSA-N	463.533	5.108	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	2413222	AAULNEUUKXQPCZ-BPOWYZMYSA-N	473.989	5.723	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(SC(F)F)cc1	3168624	OLZLRIVMUQMLCM-WJDWOHSUSA-N	485.002	5.885	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1-c1ccc(OC(F)F)cc1	3338168	LLQGIOJQBANXFF-UHFFFAOYSA-N	478.289	5.498	10	40	JKCB	
CCCCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nc2ccccc2c1=O	3440780	DQGFXMIJZQCCIR-UHFFFAOYSA-N	489.597	5.308	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1	8742536	OBAFXTBSUGGURC-HEHNFIMWSA-N	464.477	6.335	10	40	JKCB	
CN(C)c1ccc(/C=C2\N=C(SCC(=O)c3ccc[nH]3)N(c3ccc(OC(F)F)cc3)C2=O)cc1	9033896	NDYMQDMBEBSRAL-STZFKDTASA-N	496.539	5.042	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)c(C)n1-c1ccc(F)cc1	9208811	ZRWNALSAAAWBMD-QFIPXVFZSA-N	465.506	5.104	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	9266076	SUJMYWUWNLHLBU-SCORJZKRSA-N	491.916	5.370	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9309608	MSKWZQACXYDPLY-OILBOLJZSA-N	488.016	5.918	10	40	JKCB	
Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1	13069706	FYKZJLWZBJUOGU-HMMYKYKNSA-N	464.956	6.155	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c(C)n1-c1ccc(F)cc1	13098683	GCIFPCIDZAUOEO-UHFFFAOYSA-N	488.563	5.512	10	40	JKCB	
O=C(N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1	13305833	MXZMLJQVLFPZGX-BWBFJQJUSA-N	496.807	6.108	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OC	13914006	PZSMSRNCVZHYKJ-LFIBNONCSA-N	456.427	5.390	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc12	19793058	GCROPVKLPQWOSF-UHFFFAOYSA-N	463.496	6.549	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1	23410545	IBELEUPGNHWOJS-QRVIBDJDSA-N	489.553	6.143	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)cc1Cl	34846848	OEWZRMOQHKNODW-JZSRTLTASA-N	460.946	5.884	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847811	JOFNARXBHPTBEW-SGIRGMQISA-N	485.436	6.929	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222815755	FPVSHXZVMZWPSO-VXKWHMMOSA-N	458.553	5.889	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223382536	YGKVTPATIMWZTH-KAYWLYCHSA-N	452.627	5.970	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223465353	GJLWRQURQZUDPO-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223722805	YUFDCMYQMYOWQS-ZEQRLZLVSA-N	483.037	5.068	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224236516	APWJVSGGTDVBEK-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@H](C)[C@@H]1[C@@H]2CC=C4C[C@H](O)CC[C@]4(C)[C@@H]2CC[C@]31C	247954505	LIBRFSNEVHBFKI-QVBOKZRZSA-N	494.701	6.262	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)S1	408811527	LLNAJKSMHPKLBV-UHFFFAOYSA-N	497.438	5.937	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C	408903169	VCEYWRNCYVUZEK-CIAFOILYSA-N	465.556	5.417	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(C(=O)OC)=C2C)cc1	409016925	LUJHQPCDITVTSO-ITYLOYPMSA-N	497.547	5.320	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409017440	WPTDDWIZDZUSAX-SDPDQUOZSA-N	474.988	6.181	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	409053855	RBRFRHIKZNCQSR-UCQKPKSFSA-N	466.027	6.629	10	40	JKCB	
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(/N=N/c2ccccc2)cc1	409094341	DMIURVIHFUJYGN-BYYHNAKLSA-N	474.358	7.339	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)cc1	409215718	AJEXGZIOTRCWCG-ITYLOYPMSA-N	499.661	6.192	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OC	409334156	VRCAWJQFCCAMRO-YBEGLDIGSA-N	450.379	5.181	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	1421589	GSZMFZRNWVIFNH-HZHRSRAPSA-N	480.977	5.168	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1	2218374	IJMKHQVXOQGPBH-BXDFRRGMSA-N	471.557	6.123	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1	2237390	LKCOERWEHJHAPS-QJOMJCCJSA-N	477.655	6.329	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccc2c(c1)OCCO2	3398007	KBMIKKNTTJMWQR-OAHLLOKOSA-N	465.571	5.091	10	40	JKCB	
Cc1cc2c(C(C)C)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O	5159961	PBJKWGWHZVXBGU-UHFFFAOYSA-N	462.542	6.757	10	40	JKCB	in-vivo
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9375516	OYAZMMJZMDVENE-YTCPBCGMSA-N	481.551	6.003	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(F)c2)[C@@H]3c2ccc(N(C)C)cc2)cc1	12599717	WZSLSMLGMYMSRQ-GCOOMIHPSA-N	496.630	6.395	10	40	JKCB	
Cc1cc(C)cc(OCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	13660230	HCCPPJRDYYVUSG-XYGWBWBKSA-N	497.526	5.143	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(C)cc2)cc1	20288910	VUCXDYKJUKUMCG-QJOMJCCJSA-N	454.555	5.750	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c(C)n1-c1cccc(F)c1	24647730	VNKZWXVEOFECMA-INIZCTEOSA-N	469.513	5.870	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)cc1	32099514	XAQDXWMQLWZSNH-STZFKDTASA-N	468.431	5.948	10	40	JKCB	
CCc1ccc(N2C=C(C(=O)Nc3ccc(C)cc3C)S(=O)(=O)c3cc(F)ccc32)cc1	67340737	QYSOCVUDWAFTND-UHFFFAOYSA-N	450.535	5.410	10	40	JKCB	
COC(=O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1	95473086	JSTWPSMWGRLUMA-UHFFFAOYSA-N	459.458	5.016	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(F)(F)F	222918158	LFTUYVAOLGXIBW-DHIUTWEWSA-N	472.580	6.136	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223312799	MRNQGEBYJCQDGU-RMUDUWAUSA-N	460.647	5.257	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171817	NNSRPZIDYIHOMA-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436733	ZFDVEYZOBMKXHV-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(F)cc1	224869399	VIRQAKBXHBSAQR-RPBOFIJWSA-N	493.007	6.164	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(F)(F)F	225014407	FEGTXNZBFPIWNS-DNQXCXABSA-N	484.591	6.423	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)c1	260572454	VOGWMJRJYQRGOQ-ANRKENSESA-N	489.616	5.561	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408646756	WGPHGSYMUZUTKT-LJQANCHMSA-N	456.929	6.277	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1	408756270	RBWKEWCKTPRHAN-LDADJPATSA-N	488.204	6.108	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1	408758478	KRHPHHDHEKETFX-DEDYPNTBSA-N	466.266	5.331	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408784099	RKPUBFBAERTCAE-HZHRSRAPSA-N	475.976	5.711	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1F	408848232	RIXBVDDKVUZGEU-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1Cl	408938762	RMWKKBLAIIDVRR-MYYYXRDXSA-N	496.950	6.047	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(C(F)(F)F)=NN1c1ccccc1	408969167	ILTLALAMSJGDFW-NDENLUEZSA-N	466.415	5.343	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)C(C(=O)OC)=C2C)cc1	409024504	ZMIVZVNQDREJEK-ITYLOYPMSA-N	469.537	5.542	10	40	JKCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl	409079667	LLUDBCNBMLPWNA-WQRHYEAKSA-N	467.308	5.291	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1	409090212	LERBUSFXXIBZQB-HBEGMLAUSA-N	455.601	5.045	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	409329847	HKWPMOWJOSYDEC-MYKKPKGFSA-N	496.097	7.222	10	40	JKCB	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	409333288	IWXAVGVSZTYBEC-UHFFFAOYSA-N	482.465	7.752	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1	409347347	LWYSVVBCKSIZCL-STZFKDTASA-N	492.534	5.228	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1cccc2ccccc12	409350131	XNNZVVYUUIFCCL-XKZIYDEJSA-N	479.579	5.103	10	40	JKCB	
Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1	1800902	UQFHWVWLJDFWIH-STZFKDTASA-N	468.600	5.124	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4cc(C)cc(CC)c4)c4ccccc34)C(=O)N=C2S1	8450593	UEXHPCZGEUAOJV-AQQGHWPGSA-N	499.640	6.010	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1	8821747	ZHIDLJPYWGVNPP-ITYLOYPMSA-N	456.611	6.999	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9282618	UUKUUUQHFFOKAH-FMQLZUAWSA-N	481.625	6.447	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21	9309020	DHXZRFZTLGESMD-GSDHBNRESA-N	467.952	5.671	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9309355	QJGFJQXTVZIGMC-ZYAFDPRBSA-N	477.952	5.554	10	40	JKCB	
COc1cccc(-c2nc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cs2)c1OC	29552957	CBMVVIIRPXKAFS-UHFFFAOYSA-N	451.592	5.090	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(N4CCCCC4)cc3)c2)cc1	30869117	DJSXWTKTUIWIFD-UHFFFAOYSA-N	498.048	5.370	10	40	JKCB	
Brc1ccccc1[C@H]1Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2[C@H]2C=CC[C@H]21	32121274	AFMXJTYFJWQWLE-PZZAWMKESA-N	460.459	7.743	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2Cl)cc1	34714160	QLBXWVBAIMJACY-STZFKDTASA-N	484.986	5.499	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1	41082871	UZJNUWWBFVASMQ-BESYBNBZSA-N	461.635	6.417	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1C	58846520	YSCQRPMMKUGOFZ-LZCXECNNSA-N	499.463	7.238	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(F)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	59435918	PNZVOQFGLCBZLA-NLRVBDNBSA-N	493.494	6.147	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)c2C)cc1	106716268	AVTKHXAFIVWFCP-UUYOSTAYSA-N	487.408	6.646	10	40	JKCB	
COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Oc4ccc(F)cc4F)sc3n2)cc1	215681564	BYDDHZAFPJPTFD-UHFFFAOYSA-N	488.515	6.719	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Br)c4)c3C)N21	222698289	XFKAVDKAGQUTAL-YFXJRYMSSA-N	481.463	6.231	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223099157	HRNKWIWUSHILRH-FTJBHMTQSA-N	460.647	5.803	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223893906	XIVFYWLXEOOFAB-NSOVKSMOSA-N	481.669	6.041	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463693	HLKHRYPESOFQKY-KAYWLYCHSA-N	487.072	6.882	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224466149	PXPZPDAJMAMJQJ-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(F)cc1	224869444	VIRQAKBXHBSAQR-LOSJGSFVSA-N	493.007	6.164	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	408573811	KSUIBDFCMRRCKF-HAHDFKILSA-N	488.634	5.722	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1cccc(Cl)c1	408757441	ZYXTVHWXJKWDIE-GIJQJNRQSA-N	488.758	5.721	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)c(C)c1	408817871	USYYVKJXRIHKEZ-LPYMAVHISA-N	488.971	5.819	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1C	408818336	PLPGPELRXSIPJH-ZVHZXABRSA-N	483.568	5.277	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4SC)C3=O)o2)cc1	408983854	DNKMWXBSHJQWJY-PTGBLXJZSA-N	493.584	6.926	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	409042304	XDDLRCHAMCKOKG-GZTJUZNOSA-N	458.386	5.767	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S	409075582	XGSNADSKFOVJEO-UVTDQMKNSA-N	491.783	6.047	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409100665	RJFCSQAWEWSSCC-XSFVSMFZSA-N	450.972	5.323	10	40	JKCB	
CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	409329604	GCTUAABENUKRAG-JLPGSUDCSA-N	494.682	6.361	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)SC2=S)cc1	409344554	JUDVPPKOHHYQTD-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(-c2ccccc2)cc1	8820367	MKNKLIVDDZKFQI-LZNIEJQKSA-N	456.592	5.750	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1	8820910	BLWFTWDDQLLBLA-UCQKPKSFSA-N	480.973	6.106	10	40	JKCB	
CC(C)(C)NC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	8828426	MTLYJIDOMYFMLP-GZTJUZNOSA-N	464.534	5.640	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	9293490	UPIGOILWIMYOID-QRPNVLAJSA-N	469.614	6.053	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)c(OC)c1	12274982	CITFNIULXQWDFM-YBFXNURJSA-N	492.405	6.676	10	40	JKCB	
CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(C(=O)CCCCN4CCCCC4)cc32)cc1	12414029	LILHZFQXNOQCGX-SWKFRHMKSA-N	464.653	7.161	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	12417913	SDGOXPPAPAAXJV-ZHZULCJRSA-N	470.019	5.430	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	15932092	JSJYLXLSWAQJNO-AUWJEWJLSA-N	475.216	5.824	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)ccc3c2=O)c1	19793131	NPFRDHZCEKVJIL-HZPDHXFCSA-N	477.479	5.536	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	27018204	RGBVEHBRGSUACC-NDENLUEZSA-N	464.572	5.305	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O	41108831	SINKRGIKLUMPMY-WSLHGYQHSA-N	496.954	6.256	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223382399	NDUULQJAMCCOSY-RRPNLBNLSA-N	452.627	5.970	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	224168265	AQZWUIZLBSTQGZ-RPBOFIJWSA-N	468.582	5.364	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	224570620	MGXFPRUJRWOABR-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224837772	AHJTYYWIDXDJBQ-WUFINQPMSA-N	498.652	5.992	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1Cl	224973969	DKOKLARPFLDBBL-RPBOFIJWSA-N	475.017	6.020	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)N2CCCCC2)cc1	408583726	JIHAXKIQYMVABQ-UHFFFAOYSA-N	498.004	5.390	10	40	JKCB	
CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)ccc21	408688686	WQBUDKWEGRIKEB-UHFFFAOYSA-N	458.539	5.342	10	40	JKCB	
COc1cc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1	408838014	QKWJKCWTOMOBGL-MYIHVTGJSA-N	490.441	7.480	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(Br)cc2)cc1	408842615	PACYDZXMPSIMLJ-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)cc1	408981856	DDAGJGNBCVUEKM-VEILYXNESA-N	499.570	6.072	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1	408992797	CCCZDCXIXBYVLK-OEAKJJBVSA-N	485.996	5.483	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)c(C)c1	409000213	FBJYORLMUOLYDA-GZTJUZNOSA-N	497.370	5.477	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409201465	NHCIBTHHLPLGON-VCHYOVAHSA-N	483.895	7.164	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O	409242011	PQDYWGZBWDTRSV-OEAKJJBVSA-N	490.991	5.150	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c1	409342933	FZNJEADBHBGCLP-LPYMAVHISA-N	484.067	7.047	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	820105	VYOVRRCJRWUYJJ-UHFFFAOYSA-N	484.964	6.348	10	40	JKCB	
COc1ccc(OC)c(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCC3)c1	920834	QIDPXUHYWVFMPH-UHFFFAOYSA-N	468.575	5.136	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)cc4)C3=O)o2)cc1	2071054	AJOHRWYQIRZLQM-NCELDCMTSA-N	475.544	6.903	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2408339	UIOCVXAKKKONAX-UBFVSLLYSA-N	498.376	5.472	10	40	JKCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1	2443478	NFCMXQNOKKXZSJ-PXNMLYILSA-N	459.898	5.782	10	40	JKCB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	3672346	MNBGSCWFLMKMFQ-UHFFFAOYSA-N	456.325	5.750	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)c1	3768716	NPBVLEWDXYSNQJ-HYARGMPZSA-N	496.451	6.742	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C(=O)c1ccccc1Br	8426826	PAWXKLTWHAEFTN-NTEUORMPSA-N	483.206	5.253	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccs1	9183504	MRVSEHDDVSSGTP-HFITWMCCSA-N	481.620	5.938	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9307277	YGHHAFOYBFPGEP-SDHOMARFSA-N	498.922	5.271	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)SC1=S	12628741	XOXHISUAJOBDGQ-HAHDFKILSA-N	482.026	6.724	10	40	JKCB	
C[C@H]1C[C@@H](C)CN(c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1	13639898	KWPWXZDNYIWMIG-GASCZTMLSA-N	470.960	5.332	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1C1c2ccccc2Oc2ccccc21	17288259	ROELEGLHCFSHAN-UDWIEESQSA-N	470.402	7.090	10	40	JKCB	
CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	27563030	YVOUYMRQFSFVNU-NDENLUEZSA-N	492.018	5.082	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC(=S)N1Cc1cccnc1	32111789	BNOZBROKSKAWAO-NHDPSOOVSA-N	497.985	5.624	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1	33732034	WXFANNRZIAIRAP-NHFJDJAPSA-N	474.560	6.499	10	40	JKCB	
CCCc1nn2c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(-c3ccccc3)nc2s1	41074245	GLIVBFXYSPCSTR-RGEXLXHISA-N	476.652	5.812	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	41083057	SJTMFOKWLHVKNX-JKJUGIAJSA-N	478.578	5.510	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1	102755019	KDWPXBAHHVCUNV-UBFVSLLYSA-N	475.976	5.237	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	208244957	GGCGXQOWAUPKGC-SLDJAQPHSA-N	498.048	5.292	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223098975	MBVJZJVNVVUMIM-IZZNHLLZSA-N	460.647	5.803	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223795747	YOHLIGBPUHPNTE-NSOVKSMOSA-N	482.653	6.373	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C	224569189	LVYCEIUAIOHBQZ-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1-c1ccccc1	225382693	PBJSCYBYNRTOQW-WDYNHAJCSA-N	494.664	6.679	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225527671	WDNSSKRTNRYWOA-VSGBNLITSA-N	495.652	5.490	10	40	JKCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408573188	IWPPZJKMKPBPPC-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Br)cc1	408753041	HDGIXNKHOHVORU-PXLXIMEGSA-N	492.329	5.591	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O[C@H](C)CC	408904918	QJGJCTRJYSYWHU-IYSPOMMRSA-N	457.368	5.831	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(C(F)(F)F)=NN1c1ccccc1	408971198	DIAAISDNDRPTKH-UNOMPAQXSA-N	491.296	6.921	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)cc1	408983921	OJQAIAJHPXNRBO-XKZIYDEJSA-N	461.949	5.285	10	40	JKCB	
O=C1C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408998847	SKBLTYFZEPWMID-UHFFFAOYSA-N	496.523	5.169	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)NC1=S	409006008	IEMSQXRQJPSLKK-PXNMLYILSA-N	486.218	5.412	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409057813	WPRAOGYKVGHGMS-KQWNVCNZSA-N	458.533	5.809	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1	409138102	ZYNYLJQJRQGWIF-NLRVBDNBSA-N	467.594	6.311	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1	409177828	IZEUHGHNLJRJMW-HYARGMPZSA-N	485.989	6.343	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	409180673	ZBJABJWGCDVYRQ-DEDYPNTBSA-N	468.003	5.294	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S	409208287	BXAADIJJXDORGS-WSDLNYQXSA-N	458.564	5.129	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccncc1	409333339	RZGLSZHNIAIHKV-MTJSOVHGSA-N	468.987	5.728	10	40	JKCB	
CCN1C(=O)/C(=C/C=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)SC1=S	1082888757	UTBLWOLGVACMLK-QJOMJCCJSA-N	455.608	6.582	10	40	JKCB	
O=c1c(Oc2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12	1791595	KQYVIPDAZZUWIM-UHFFFAOYSA-N	467.871	6.339	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2cc(-c3ccccc3)sc2n1	1896222	NATCISHNXUCYND-UHFFFAOYSA-N	497.689	7.666	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	2402434	CYEOBCFQTYHFKQ-WUVMMTAUSA-N	474.011	5.086	10	40	JKCB	
O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)NC12CC3CC(CC(C3)C1)C2	6143093	OUOLWQOIGUMADL-HYARGMPZSA-N	468.688	6.169	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c(OC)c1	8821296	QCYHPGCOSQYCEG-QRVIBDJDSA-N	498.025	6.342	10	40	JKCB	
CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S	9296466	LYBNNFJMFBIUKE-CXUHLZMHSA-N	454.798	5.513	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14414349	OMXJGPGZWPBGSJ-XHPQRKPJSA-N	469.537	5.403	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1	17167443	OVKFQYLWCSCIRA-HYARGMPZSA-N	486.984	5.127	10	40	JKCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	17752510	CPYSTYJMMMCSAZ-GAWXUAEISA-N	496.702	5.019	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(OC)cc1)N1CCN(C)CC1)c(O)c1ccccc12	22810542	MNJLDTWIVWQWOM-SANMLTNESA-N	488.584	5.122	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl	33334932	PTNCYVROXQDRGT-BOPFTXTBSA-N	451.822	5.323	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(OC)cc1	33430479	IPJIBZUVBMIXCR-ZHZULCJRSA-N	494.034	5.426	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2Cl)cc1	103922308	PDPRWYHRMCRNTM-HMAPJEAMSA-N	470.331	6.278	10	40	JKCB	
COc1ccc(/N=N\c2cc(OC)c(/N=N\c3c(O)nc4ccccc4c3O)cc2OC)cc1	104381583	RZIWRBCYBFOBKP-MBBAZXQCSA-N	459.462	6.503	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223051718	NYAGXGAVYARIBG-GOTSBHOMSA-N	488.579	5.517	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1	223420027	MVFQMJSILUEJGQ-FQLXRVMXSA-N	496.680	6.233	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224845204	XFGOPBVVDSWLKX-RRPNLBNLSA-N	499.640	5.387	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1	224855983	YEAFLHVOZRQEHQ-IZZNHLLZSA-N	470.598	5.375	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1	408865764	FIKWLYOLHOTBMK-UQQQWYQISA-N	478.573	5.559	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409012192	JMUHNZBQVQYJTQ-HAHDFKILSA-N	474.988	5.929	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1CCCc1ccccc1	409147582	YVDIMBGXVKWUOO-DEOSSOPVSA-N	465.615	5.809	10	40	JKCB	
CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O	409232449	HVTAIKRSSPZCIG-ZMOGYAJESA-N	498.410	6.283	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)c1	409328320	SBNUHRHCMFEYLY-XKZIYDEJSA-N	469.990	6.772	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S	409349680	VXPQJWKAMKTLQN-WOJGMQOQSA-N	466.397	5.778	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)C(=O)N=C3S2)c1	2405275	AHYAQQAYDHKMRC-BPOWYZMYSA-N	457.534	5.209	10	40	JKCB	
O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	8445687	DJWOJOFPPWVWLY-RIYZIHGNSA-N	491.297	5.716	10	40	JKCB	
Cc1oc2c(CN(CC(C)C)CC(C)C)c(O)ccc2c(=O)c1Oc1ccccc1Br	9215624	RZRPPUQMJWUDSD-UHFFFAOYSA-N	488.422	6.476	10	40	JKCB	biogenic
Cc1cccc(OCCCn2cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c3ccccc32)c1C	9679311	LFGMFRULQWHLFH-QGNOBFDASA-N	456.571	5.504	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)c(C)n1-c1cccc(F)c1	12534829	VFMMVNKBZWKKBK-JOCHJYFZSA-N	465.506	5.104	10	40	JKCB	
Cc1cc(C)c(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)c1	19793912	MPVMFOOSCSKQPJ-UHFFFAOYSA-N	475.507	6.467	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccccc2OC(F)(F)F)cc1	20289215	LJRZRFXDGPQYAY-JWGURIENSA-N	467.447	5.731	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12	27534734	QXHDJIXIUOHZDB-BCCBXPRLSA-N	471.439	5.010	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2[N+](=O)[O-])cc1	32124611	LZCBNZXGABVOAX-CIAFOILYSA-N	482.583	6.599	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	41083396	NRRNQMWMZUARND-MQIWZSEOSA-N	470.396	5.276	10	40	JKCB	
CC(=O)N(c1nc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cs1)c1ccccc1F	96663297	BWLDWUQUSFZEEG-YBFXNURJSA-N	452.536	5.358	10	40	JKCB	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422714	AHWOQHWFFGZDIG-REZTVBANSA-N	495.439	5.037	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)cc1	208239760	NXYMQWWJYDJNFS-QZDMBBGESA-N	470.038	6.543	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc21	223509836	BUPBFEKQWOUWFO-OEAKJJBVSA-N	457.574	5.380	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223720204	VGNIEZYZLDXJPO-IZLXSDGUSA-N	498.652	5.568	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	224574078	SXAMJWCZTNDYPB-IZZNHLLZSA-N	469.614	5.378	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1O	224870653	IVENMBGNTMWFML-JWQCQUIFSA-N	491.016	5.731	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225042734	BOMOASMVURKRSW-FQLXRVMXSA-N	495.696	6.272	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)cc3F)cc2)C1	225669833	AYIOIYRDCGMDEF-HUUCEWRRSA-N	450.421	5.872	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4Br)c3C)N21	260783999	UQHKGMCHTBGOIH-VSDWSMLSSA-N	481.463	6.231	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O	408588409	WCDVRVVXRGLEID-SOFYXZRVSA-N	483.145	5.339	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc(Br)cc1	408604132	SUIVYNKMBADBIZ-VCHYOVAHSA-N	478.339	6.393	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1	408638490	CQODJJRTYCUBJA-SFHVURJKSA-N	491.374	6.931	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)c1C	408896987	PLXDTXIFGBXHEC-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	408901505	GGMDIQVSOLSPJH-LFVJCYFKSA-N	450.498	5.712	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(C)=O)cc4)C3=O)o2)cc1	408985004	KCJBHMLKSVUWOA-XIEYBQDHSA-N	489.527	6.407	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1	409024720	VLRJHZOJXGBLIV-GZTJUZNOSA-N	475.378	5.873	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409086537	VWFILXICCNFPQV-ITYLOYPMSA-N	499.397	7.407	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)c1	409135530	YYAUHZVKMIBFGY-KGENOOAVSA-N	467.930	5.967	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O	409228787	FDBWYFSMBOXAJJ-LFIBNONCSA-N	474.822	5.594	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccccc1F	409344321	IXTIAYJSNQNXMN-PCLIKHOPSA-N	471.578	6.964	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC	409348970	UGGBUHDWUFTYHK-YVLHZVERSA-N	454.400	6.197	10	40	JKCB	
CCOc1c(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cccc1OC	409350009	WVPZHBMMJFNNNA-CXUHLZMHSA-N	484.824	5.916	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1C	409389544	BYTNDGIMJDEUHQ-KSEXSDGBSA-N	463.990	5.143	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)N(C)C2=S)cc1	2185346	WSSQMFYZOXEFBT-KOEQRZSOSA-N	485.653	5.874	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)OC(C)C)cc4)N=C3C)o2)c1	8451554	JLSABCASIOLJMI-JLPGSUDCSA-N	486.524	5.495	10	40	JKCB	
CC(C)C(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccccc1O	8734893	JYBIBUSDJHIGTK-QHCPKHFHSA-N	485.971	5.888	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3)C2=O)cc1	8820060	NAKCLUPJNAJSAI-PGMHBOJBSA-N	482.627	5.182	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1	9633232	IWRORICCLDZNRS-UHFFFAOYSA-N	450.844	5.562	10	40	JKCB	
COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	9763228	KPLZRNSAZFTQBY-AVYPCKFXSA-N	459.340	5.818	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1	12285493	RNAAGXJINWQPFW-FISJVANTSA-N	452.583	5.961	10	40	JKCB	
Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C	16779648	KVKOBYSXAGMYLZ-UHFFFAOYSA-N	454.979	6.024	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21	22419027	OYQAFKGZPPJJFY-XMMPIXPASA-N	464.997	5.340	10	40	JKCB	
Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(/N=N/c3ccccc3C)cc2C)cc1	27026789	RJUFXGHORVECQV-ZDVLJFOBSA-N	482.609	7.140	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cccc(C)c3C)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	33415115	KVWLUFPPQUDXPJ-UUYOSTAYSA-N	478.526	5.265	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1	33916401	DZNUXYFUZLSUIM-FISJVANTSA-N	467.598	5.573	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c(C)c1	58846253	DWEYOFPMXMGMMX-VVZHRXSXSA-N	475.570	5.839	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58848221	MCMFSTZWYRZQEV-VVZHRXSXSA-N	481.017	6.284	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	59136232	LOOJTNFYINQCKU-MHWRWJLKSA-N	498.923	5.466	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(Br)cc2[C@@H]2C=CC[C@@H]21	59267165	VKZZRLANCOJLOD-FHSNZYRGSA-N	453.149	6.186	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1cccc2ccccc12	208706341	ATRRQDBWAZWSMY-ODLFYWEKSA-N	486.412	5.679	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc2ccccc12	223493384	GZQFBGNSAPEMNT-VMPREFPWSA-N	489.648	6.210	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	223995680	CAGZJQJHOISZIP-UIOOFZCWSA-N	467.598	5.316	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224164579	ZPUJSTNHAOFURY-RRPNLBNLSA-N	452.627	6.229	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C=C1c1ccc(Cl)cc1	408753197	IORKCCPRHPGVFF-HMMYKYKNSA-N	461.945	6.227	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Br)cc1	408765575	YSMZBMGAMJKKBH-XQNSMLJCSA-N	476.374	5.358	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408815825	SIIGRRNKIVUWQG-JJFYIABZSA-N	487.408	6.646	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2ccccc2F)c1	408879922	HWARJNUYHZWBLI-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2cc(C)cc(C)c2)c1	408880212	GOLTZUDGWHUDPW-FSJBWODESA-N	490.943	5.211	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409059900	YKDFIWOBQWWRRK-PGMHBOJBSA-N	459.929	5.796	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1	409094010	CNKMVIDUMCWNGW-KSWJTFLNSA-N	460.555	6.040	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCCC)C3=O)c2C)cc1	409130987	OSTGFGLRKWAUMK-JWGURIENSA-N	454.592	5.887	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O	409247275	LYJMGMZHYKHMGG-LFIBNONCSA-N	473.337	5.712	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12	2180189	RNQMYWRJMCETSB-JJIBRWJFSA-N	471.944	5.225	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCCOc2ccccc2)SC(=S)N1c1ccccc1	2958543	ANURZSMYQGAWTR-JWGURIENSA-N	478.551	5.458	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(OCC)c3)C(=O)N=C2S1	8453072	ZIIUXCAFUQDCBL-UCXLZHGVSA-N	492.601	5.271	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O)=C\c1ccccc1	8820673	ANCTYZMIHJHPQH-WFMHWKGDSA-N	464.656	5.661	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCCOc3ccccc3Cl)SC2=S)cc1	8958939	QHWBGABOCGMPPX-ULJHMMPZSA-N	496.053	6.766	10	40	JKCB	
CC(=O)Nc1ccc(N/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1	8993516	TWHWZCYRZQXVIV-SILNSSARSA-N	477.652	5.354	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1	9187883	IQJHAIBQNCLXKL-DIBXZPPDSA-N	483.637	5.362	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)c2C)cc1	9193086	GLGGIETUSVUFCP-QRPNVLAJSA-N	488.016	5.918	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C	9309420	XUNPDFHZEABVMP-ICALIKLASA-N	469.570	5.079	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)SC2=S)cc1	15228205	XKSRDWNEDKVMBZ-HMAPJEAMSA-N	451.544	5.819	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1	16449851	DQQNVYWUIRGXSX-NDENLUEZSA-N	477.860	5.334	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)CC)C2=O)cc1Cl	16732400	WXMQYGSHRRKPLH-LRSOKBAUSA-N	498.073	6.591	10	40	JKCB	
Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)c1C	18252451	MFDBDDZCBDTELS-QAVVBOBSSA-N	490.549	6.087	10	40	JKCB	
COc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O	23114504	FEQPFXLKIOINDN-CQSZACIVSA-N	463.452	5.550	10	40	JKCB	biogenic
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(C)=C3C(=O)OC)c2C)cc1	32124552	VWAORCHKYXQXMZ-XYGWBWBKSA-N	490.987	6.023	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58846162	NSHUPYQIZUXWIS-VVZHRXSXSA-N	475.570	5.785	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58849627	CNPRCPAAYAZZNR-WZOHSFFVSA-N	484.980	6.115	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	80346732	ZLPYJQCYMBSKFD-ICALIKLASA-N	465.538	5.508	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(F)cc1	97998378	DMURBLOXEWMBPZ-LPYMAVHISA-N	467.543	5.525	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	100208244	IRQQFDPKBRYVTQ-IMRQLAEWSA-N	467.565	6.150	10	40	JKCB	
CCOC(=O)c1sc(N/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)c(C(=O)OCC)c1C	101112397	LKRLZTPNIDMOAL-XMHGGMMESA-N	491.569	5.282	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Nc4ccccc4)cc3)c3ccccc3C2=O)c(C)c1	103004355	WYWGPWFXISVRCX-DIBXZPPDSA-N	459.549	6.687	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1C	106732249	DBJGMRXUBUCLIV-QRVIBDJDSA-N	495.442	6.710	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1C1CCCCC1	113830476	SIPQFCTYVWLWSP-PDGQHHTCSA-N	495.407	6.085	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C	208231188	WFMMOJWAKBAEOG-YFEUJDIGSA-N	486.399	5.690	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)S2)cc1	208474741	WWCMKQVEJRXYQG-UUYOSTAYSA-N	468.022	6.453	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	222972207	MMJIWBNTCKUAMU-DNQXCXABSA-N	479.606	5.179	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1C	223312695	XEGNQTXGSNVQIH-OUIFVKKZSA-N	460.647	5.257	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223367269	KMPRIBVWHWKMTD-DQEYMECFSA-N	486.597	5.041	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc2ccccc12	223381018	MWMOIYKHQGKJMY-LOYHVIPDSA-N	488.660	6.815	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224236643	APWJVSGGTDVBEK-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccn1	224360255	RWCHJOVMVSMOBZ-SXOMAYOGSA-N	467.642	6.185	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c(C)c1	224436980	FSJQWQRSHFOTOJ-IXCJQBJRSA-N	484.644	6.731	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1C	224467477	CJQDGHHPSWRVFG-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)n1-c1ccccc1	225539407	KHOIOJUGIXTTGD-KAYWLYCHSA-N	481.625	5.182	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(Br)cc1Cl	408534802	RFWHKOMFHOWPKJ-ZROIWOOFSA-N	483.591	5.892	10	40	JKCB	
Brc1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1	408737116	JZUYOJGQWLHJHM-ZPSYUOPISA-N	460.459	7.743	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	408738190	RVGBMANOHBHHTH-RELWKKBWSA-N	477.520	6.392	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl	408741376	PMGPHTTWURTAED-SDQBBNPISA-N	474.525	5.076	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Cl)cc2)cc1	408767018	YJIZYBDYAPURCX-CIAFOILYSA-N	457.744	6.490	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1Cl	408810790	LEUAKOYLJSCEJM-LPYMAVHISA-N	485.996	5.483	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O	408819428	SBNBHCFJMWUMNF-XDHOZWIPSA-N	465.912	5.115	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1Br	408986211	ORSLALZGLDCERP-RCCKNPSSSA-N	460.371	6.628	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(Cc4ccccc4)C3=O)o2)cc1	408986633	RSCSRLIXBQWOPU-XIEYBQDHSA-N	461.517	6.200	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)C2=O)cc1Cl	408989124	KARZKKHAWXQRRD-UNOMPAQXSA-N	464.880	5.033	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	409046784	MAFUMAUUBMPOIK-VCHYOVAHSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1C	409098887	MNPGTNADNRXQKL-HYARGMPZSA-N	462.958	5.774	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S	409100963	XLXVWJWJKXPFTM-YBFXNURJSA-N	484.408	5.541	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S	409131762	WUWNDSAPUSRTOO-FBHDLOMBSA-N	459.011	6.339	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC	409335096	XNJGDJUGVMQJMX-SXGWCWSVSA-N	468.369	5.401	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1	409346926	PATRYNBBFJRKSJ-DEDYPNTBSA-N	466.609	5.182	10	40	JKCB	
CCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	2294816	SBOXWJOZKUVJDH-UHFFFAOYSA-N	481.595	7.848	10	40	JKCB	
CN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820202	IANYTYONQMAYSO-PGMHBOJBSA-N	473.063	5.760	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1	8821734	XPCAEEXDBDHAAE-UCQKPKSFSA-N	477.973	5.960	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1[N+](=O)[O-]	9295802	VIXNCGDFHXAIIS-JJFYIABZSA-N	481.961	6.201	10	40	JKCB	
O=[N+]([O-])c1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1N1CCCCC1	13096510	GYMZKEPCGWSZIK-KNTRCKAVSA-N	481.581	6.660	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	14009547	ONSSMGGTGVMBMQ-ITYLOYPMSA-N	454.570	5.318	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	14415112	YRZXDOIQZLUTGP-OOAXWGSJSA-N	467.565	5.571	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16000861	SUMIHMPKXQSMDL-CCDWMCETSA-N	488.370	6.016	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1cccc(F)c1	16292310	NCTALSCEBSAWFL-OYKKKHCWSA-N	479.598	6.123	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1	18066367	AWGVEHQOJNUJEQ-VRXGLIANSA-N	472.614	5.236	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1Br	33155009	GDGPJMGXFHLVEX-LTGZKZEYSA-N	488.425	7.227	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	33704636	GTNGYGZOZZLBBL-KOKPDDJTSA-N	485.613	5.756	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCc4ccc(C)cc4)c(Br)c3)C(=O)N=C2S1	41083673	DRNQZSSMSAEFNX-ALRRYEELSA-N	468.376	5.503	10	40	JKCB	
CC(C)n1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cn1	95477167	IZYXPBLKYJTVSH-UHFFFAOYSA-N	461.522	5.787	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C(=O)NC1=S	223561099	OAMOEDINTHLSHN-LUJYGJGBSA-N	475.658	5.581	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224188092	CNXKRKIHXKTRCS-UIOOFZCWSA-N	482.609	5.453	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1C	224269813	PGTFUGKSFORMFC-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225042569	GXSUOGFOJXJVDA-FQLXRVMXSA-N	495.696	6.272	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2C)cc1	408789113	JKQNQUZJUDMPSF-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1	408800669	OJDIGHNPPUJGQC-DEDYPNTBSA-N	467.308	5.239	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1	408802676	GAASWQQZWSUADF-CPNJWEJPSA-N	495.362	5.856	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc(Cl)c1	408803716	SNCJQLGINDQMKS-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(Br)c2)cc1	408839754	AAXSSWRFHJBSFL-FYJGNVAPSA-N	496.202	6.355	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1Cl	408984075	PPLOKVXYRWMSOJ-BOPFTXTBSA-N	499.306	5.015	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408995330	MIQARZVKMAOFEY-MTJSOVHGSA-N	455.004	5.815	10	40	JKCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O	409021073	XNHZNGYFWVJONA-SGHPEYGKSA-N	488.697	7.397	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	409038907	PUUMSFMBXCHHGX-JAIQZWGSSA-N	496.481	6.828	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc12	409228591	ZQVHJZRPVFHDCZ-XDHOZWIPSA-N	470.472	5.089	10	40	JKCB	
O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1	409336647	UNMUWYGFGMYWJV-NRFANRHFSA-N	468.560	7.111	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(C)C	409345219	KQKKMZXPDYQHHA-DJKKODMXSA-N	468.427	6.443	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OC	409349653	VUQFXFUDZARTET-DHDCSXOGSA-N	470.797	5.526	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	1255677	HSMIOYARSNIRCW-GDNBJRDFSA-N	474.913	5.572	10	40	JKCB	
CSC1=NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C3CCCCC3)cc2)S1	8857213	TXAMFLXFLBBHBD-KQWNVCNZSA-N	459.640	6.920	10	40	JKCB	
Ic1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	9680322	VLVSOFZEYGPKRJ-OCEACIFDSA-N	450.283	6.764	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc(OC)c1O	9805757	QQQRIUJAECMLPJ-YVLHZVERSA-N	469.324	5.551	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1	13133691	NLOQFDLUYLWYFQ-UHFFFAOYSA-N	473.447	5.224	10	40	JKCB	
C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1	13562219	XZVAJLKQBFRCTK-FQEVSTJZSA-N	488.056	6.516	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	15188091	UIUUKNPPJKXXOP-MCEYFSPLSA-N	499.479	5.369	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	27519460	ZGDRDWKRLDNVJO-CPNJWEJPSA-N	476.326	5.627	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1	35042718	ZHIDLJPYWGVNPP-NLRVBDNBSA-N	456.611	6.999	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cc(Cl)ccc3C)=C(C)Nc3ncnn32)cc1	35507655	BCUYHFIDVZYRBP-JOCHJYFZSA-N	450.974	5.014	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)cc1C	41108274	AUTHNICIRQRQNC-LXROFQDBSA-N	499.665	6.221	10	40	JKCB	
[O-]/[N+](=N\c1ccc(Br)cc1)c1ccc(/N=N\c2ccc(Br)cc2)cc1	100368373	AKCJTJLJVIEARH-ICHHBZPXSA-N	460.129	7.553	10	40	JKCB	
S=C(S)n1nc(-c2ccccc2)c(/N=N\c2ccc(Br)cc2)c1-c1ccccc1	104223385	LZMSDVJASPPXKU-IZHYLOQSSA-N	479.428	7.458	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21	208195734	HNARMRQRKMYVAO-XDUBLRSXSA-N	488.440	5.547	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1	208217623	BIKORKQDDMAPNV-VYZAVGSRSA-N	463.603	5.392	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1	208534595	GNMWFSPQCOJPRS-BKUYFWCQSA-N	465.487	5.345	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223498609	WZVDCUFKBRMNKA-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3C)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223608082	UBSOJSSEIWOCTC-VZMFNRANSA-N	459.590	5.470	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c(C)c1	224437103	FSJQWQRSHFOTOJ-XCZPVHLTSA-N	484.644	6.731	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408758102	GOTUEEJHQPHXBS-PXLXIMEGSA-N	464.338	5.489	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1ccc(Br)cc1	408842578	OSQUOVPXDMXKLG-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	408878895	DLWZADGPLQDPHQ-JLPGSUDCSA-N	494.572	5.259	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1C	408886242	IXIREGNTJAQIBI-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
O=C(O)c1cccc(Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1	408901218	CDVLDOWOTXYKKE-OEAKJJBVSA-N	470.575	5.794	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C	408960856	OVWCXXPACWWPES-XHPQRKPJSA-N	481.621	5.652	10	40	JKCB	
Cc1c2ccccc2c(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c2ccccc12	408997174	LMNCXNKDVGELRR-UHFFFAOYSA-N	482.539	6.885	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409081181	JWQHXEOXVVVBMR-UQQQWYQISA-N	499.397	7.407	10	40	JKCB	
CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]12	409184728	ZTWXBMPGHFRLNQ-XJQFLJIHSA-N	469.544	6.673	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc(Cl)cc1	409335745	ZEUYGVSGKMMTME-PCLIKHOPSA-N	488.033	7.478	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OCC	409340291	UCSKLCPJCWJFQD-CPNJWEJPSA-N	492.460	6.351	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)c(C)c1	409348218	RPMLTNBBIFDOPH-UUYOSTAYSA-N	464.568	6.494	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S)c1cccs1	409349192	UWHVGISFBGDIKI-MTJSOVHGSA-N	493.610	5.436	10	40	JKCB	
CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	1809353	FUVWGZKNPVVOIM-UNOMPAQXSA-N	461.992	5.073	10	40	JKCB	
Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	2200517	JOFQUFJKSOSCHE-WQRHYEAKSA-N	467.641	5.011	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	6475536	LPWKMALQNCFLOY-XFAFFCHDSA-N	462.505	6.794	10	40	JKCB	
O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1	8437996	KREPQDGTEDYFPN-VWLOTQADSA-N	462.936	6.166	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	8496241	HNELCBQFCUTVTB-HYARGMPZSA-N	482.458	6.337	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc12	8789573	KLVGKBLGJRUBIL-AWEZNQCLSA-N	496.357	5.409	10	40	JKCB	biogenic
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1Cl	9188629	LWBIQZYJQQFEJF-XKZIYDEJSA-N	452.000	6.633	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188802	ZLTPJVGVQFAVBL-NDENLUEZSA-N	458.391	7.192	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4c(C)cccc4C)c4ccccc34)C(=O)N=C2S1	13810836	PQCLBAJCHVLMCB-DTNFBPRUSA-N	456.571	5.504	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3cccc(C)c3)c(OC)c2)SC1=S	13942756	TZTQHWHAEVZDJO-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1C	13943941	YEHNBPHYBPFXTQ-JJYAYZJSSA-N	485.613	5.612	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	14186286	QVEKBZROEJNLFO-KHVXQDHOSA-N	488.609	5.717	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cc(C)ccc2C(C)C)SC1=S	20149768	DCNSIFRCAWTARB-KQWNVCNZSA-N	455.645	6.187	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2[C@H]2C=CC[C@H]21	58847915	LDEJRHDEAWXUQF-ANSQWYIGSA-N	481.017	6.284	10	40	JKCB	
O=C(CF)N[C@@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl	103612922	QFOKMKZTJAODRL-WTRWOXEPSA-N	462.765	5.170	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S)c1ccc(Cl)cc1	206293659	DOWYCWDEVNILLW-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(=O)C(C)C	223238988	WJRKZFDXXSQBLR-RTBURBONSA-N	489.707	5.279	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(O)cc1	223386106	FEBVPACYAWEFRC-FTJBHMTQSA-N	454.599	5.367	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223405807	LKCOPMZVBMUBCQ-RRPNLBNLSA-N	496.636	5.448	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224011788	MHIORTOAVKSNIX-KAYWLYCHSA-N	482.609	5.703	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1C	224269855	PGTFUGKSFORMFC-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609482	YIHKKHGPQVDQPF-XCZPVHLTSA-N	482.653	6.243	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1F	224901424	COGWSAQAGFCAJF-IZLXSDGUSA-N	499.659	6.180	10	40	JKCB	
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccc(C(=O)O)cc1	408634163	PUFJSWPZDUIQBV-NDENLUEZSA-N	495.944	5.714	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)c(Cl)c3)C2=O)cc1	408803726	SRMNPQDPIAOHLF-BUVRLJJBSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1	408817562	XXQPCGZHOXCPSS-YBFXNURJSA-N	467.953	5.026	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(OC(C)C)c1	408873855	WHATUOFKAQHDSL-UHFFFAOYSA-N	456.498	5.066	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1	408900860	YEARKERNFWGEQY-YDZHTSKRSA-N	460.917	5.202	10	40	JKCB	
CC1=NN(c2cc(F)c(F)cc2F)C(=O)/C1=C/c1c(C)n(Cc2ccccc2)c2c(C)cccc12	409029360	ABIHOIMEOIZXNS-CIAFOILYSA-N	473.498	6.530	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409087146	ATGSEUJBXHMFSZ-CPNJWEJPSA-N	467.403	6.212	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CCCc3ccccc3)C2=O)ccc1OCc1ccccc1F	409145814	QCUXGSOJQYSVPB-VWLOTQADSA-N	495.641	5.818	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1	409233373	VJVSDUWTWIVVIY-XKZIYDEJSA-N	479.989	5.731	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O	409244039	WQBFLHODIPLVQF-BUVRLJJBSA-N	481.017	6.773	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(C(=O)OC)=C2C)cc1	654630	SHJIPCRUEGBIKG-UQQQWYQISA-N	456.542	5.370	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc(C)c1Cl	1916160	ZSSIOWGFBMMBMA-OAHLLOKOSA-N	495.925	6.954	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(O)cc4)C3=O)o2)cc1	2059057	HNTQVLGGICFINW-PTGBLXJZSA-N	477.516	6.300	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1	8821824	PWLXFBCBXABDSR-RGVLZGJSSA-N	472.353	6.294	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)c3ccccc32)cc1	9680387	NWDYIZDNUTWPMJ-MYYYXRDXSA-N	454.620	6.712	10	40	JKCB	
COc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1	12032409	UCAZNPQBRRJXEQ-LDADJPATSA-N	491.432	5.078	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	16675846	HIRWPTUZFKEUBX-CJLVFECKSA-N	494.414	5.502	10	40	JKCB	
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c1	27024980	FXJJZTWZJRCOHL-STZFKDTASA-N	491.638	5.531	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1	27549565	ONSPPWADLIHFBP-TUKHXMGSSA-N	462.575	5.036	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	41108222	CUPAHEXHMSPQMR-GFQNLOEMSA-N	461.497	5.040	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)SC2=S)cc1OC	102819561	PRCZMYQKWCEKOV-LDADJPATSA-N	468.522	5.079	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	223762165	AEXOYOXLUUFDCT-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224018237	QNDSKLJJMJMUOW-IAPPQJPRSA-N	496.636	6.012	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	224327913	QQRTYOKWAJRAII-CLJLJLNGSA-N	453.615	5.624	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1F	225043646	QHWCQOAOLYNRHQ-IZLXSDGUSA-N	499.659	6.103	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	260565374	IEMYKIRQGBTPOS-SKCQWOFPSA-N	451.954	5.037	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)cc21	260772410	NMDWFJLAMXJMRM-XZOQPEGZSA-N	455.071	5.995	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccccc1C(=O)O	408527313	DIAGXHXDBHGRIE-JLPGSUDCSA-N	455.558	5.571	10	40	JKCB	
CCCCCCOc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1Br	408540483	SJAJYUWRKBIZNQ-UKTHLTGXSA-N	479.259	5.660	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1	408843890	SRYKDKHVHORJMU-PXLXIMEGSA-N	475.342	5.379	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2cccc(Br)c2)cc1	408846554	SXZZSDWWAZQLIU-DEDYPNTBSA-N	478.302	5.200	10	40	JKCB	
CCOc1cc(OCC)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br	408901483	FUYKLFNZCFETRN-WOJGMQOQSA-N	464.406	5.652	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1C	408968298	YAQQHTNDZZONQF-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(Cl)cc4)C3=O)o2)cc1	408986957	TZJZTGZJZZKFCD-OQKWZONESA-N	481.935	6.858	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)N(c3ccccc3)C2=S)cc1C	409005953	GQNDDQWPGYRAPP-BWAHOGKJSA-N	478.573	6.312	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	409016800	VUICOLOAOMQDAJ-SJPXOZHESA-N	472.994	5.090	10	40	JKCB	
O=C1C(=CNc2ccccc2Br)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	984556	IKIMBLUNEIPNIE-UHFFFAOYSA-N	474.399	5.201	10	40	JKCB	
CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820141	VLTNYXQVYUGZNV-PGMHBOJBSA-N	473.063	6.303	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	8821342	GRZNWOFALCRXCO-UQQQWYQISA-N	475.635	6.027	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)c(C)c1	8872499	HQJRRQNFAWEMOX-HAVVHWLPSA-N	496.404	7.797	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	9161280	WVOMDHPSNBKMLU-LECIVKJOSA-N	498.996	5.855	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)cc1	9310445	IEHGOUXZIOLDEJ-CIAFOILYSA-N	488.556	6.527	10	40	JKCB	
CCOC(=O)c1c(C)sc(C(c2ccccc2OC)c2sc(C)c(C(=O)OCC)c2O)c1O	12413792	XEOVNIVOPQBNJA-UHFFFAOYSA-N	490.599	5.380	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)o2)c([N+](=O)[O-])c1	20239099	AQVZKBLLHQDGSC-JWRAQDAWSA-N	490.472	5.307	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	21005513	MERYQODWYTWNAP-XMMPIXPASA-N	457.965	5.683	10	40	JKCB	
CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1	21005749	AQERQBFQPYXCQW-RUZDIDTESA-N	456.521	5.231	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58848069	OVYZKCTZNIXBHA-BPYKYCOYSA-N	495.988	6.184	10	40	JKCB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)cc1	58850107	VXZBEURNDUGGJX-VYKTZEHYSA-N	497.576	6.375	10	40	JKCB	
Clc1cc(Cl)cc(/N=N\c2cnc(-c3ccncc3)nc2-c2ccc(Br)cc2)c1	100392418	MUDCLEOAFGUOQP-ZIADKAODSA-N	485.172	7.690	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(Cl)c1OCc1ccccc1	108931345	JDIAXBYHOQJAIG-HAHDFKILSA-N	479.001	6.709	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1cccc(Cl)c1	113834710	BRQBZFNMHSXUFU-MFKUBSTISA-N	488.033	7.478	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	223309529	QLZVUKYWGVHUIH-TUACAJSNSA-N	467.038	5.294	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223749020	OHTWWPJNXHZIHW-FTJBHMTQSA-N	470.642	5.899	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	223764926	ZWWQQQRIFPIQPY-SVBPBHIXSA-N	498.608	5.404	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1F	223856895	YGIZVQVQYQMMMD-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900232	XIITZLFOIRUVGI-VMPREFPWSA-N	495.696	6.349	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	224169138	NVUZZBYYBZYCED-JWQCQUIFSA-N	493.463	6.973	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C	224266145	ZHBHCAFEZWOTIV-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225049472	SBHPYBOZFZPDPU-NSOVKSMOSA-N	496.684	5.667	10	40	JKCB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c(C)c1	408571522	BNGFJDMEHBBKCC-HAHDFKILSA-N	488.634	6.035	10	40	JKCB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1	408578583	YZXDABAGHCWAEL-ODLFYWEKSA-N	461.008	5.276	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1OC	408765113	ZNHMBEGCLDOJMR-QGOAFFKASA-N	496.788	6.591	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)c(C)c2)cc1	408781493	BAGPGVOOMRCLLM-XSFVSMFZSA-N	475.342	6.445	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)S2)cc1	408787940	BABOZAIYANFCSA-RISWYLRJSA-N	461.587	5.181	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2)c1	408899773	QSPXVJPAWIUQJU-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(F)cc4)C3=O)o2)cc1	408986027	ONGHJVBXOMNVAQ-OQKWZONESA-N	465.480	6.344	10	40	JKCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409192285	WFFTZUDOZOBJNQ-DEDYPNTBSA-N	494.981	5.021	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)NC1=S	409249855	LZJZYEILNORUBE-XQNSMLJCSA-N	465.578	5.387	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c(Br)cc1O	409339203	FPXXAVNWJFWQGA-LZYBPNLTSA-N	454.342	5.098	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12	1747799	DTMVIPQDRBCLTI-CYBMUJFWSA-N	451.872	6.212	10	40	JKCB	biogenic
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	3003616	BDXPZDRKJKGWCK-OEAKJJBVSA-N	492.578	5.584	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)SC2=S)cc1	5949103	ROENNGPLKPGNLY-RCCKNPSSSA-N	469.588	5.390	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1	7018755	OVPFALNZCVBPEW-HYARGMPZSA-N	462.552	5.575	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1	8454094	LRBFOZKFZIWXDV-LZCXECNNSA-N	465.018	6.584	10	40	JKCB	
CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	8819754	ICQKDWXPJAPHLD-XLNRJJMWSA-N	452.645	5.958	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)cc1	8819995	TYFJKHPKQOWFAP-MOSHPQCFSA-N	489.018	5.469	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	8821473	DDJQNTIYYSLRLD-ADFUCPMPSA-N	480.405	5.410	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9235805	RMNBFXAMKUGCHV-DZCSLESKSA-N	477.952	5.554	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	9296591	NLHCCHDMZAPQJJ-YBFXNURJSA-N	490.484	6.588	10	40	JKCB	
COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	9335201	UIFYTEOEUCZDGE-UHFFFAOYSA-N	499.906	5.073	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1	13800841	MTZJTEUOIYIPJT-FISJVANTSA-N	451.551	5.878	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	13809987	LNWZNSMENKYPTL-FISJVANTSA-N	451.551	5.878	10	40	JKCB	
CC(C)COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1	15018681	FDAHZQBQCZPXPP-UHFFFAOYSA-N	456.567	5.470	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	18126933	KDWPXBAHHVCUNV-DSITVLBTSA-N	475.976	5.237	10	40	JKCB	
Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1	21486985	LQZZQBJSHATSSZ-SANMLTNESA-N	461.968	5.953	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1	25389583	QPPUQLKHAIAPQV-UHFFFAOYSA-N	469.324	5.282	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)C(=O)N=C2S1	32109382	JONPHRZAIMLJNQ-GDBFUGMMSA-N	472.929	5.096	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	41083683	QGFSNKMWQQJRSY-KAIRPGQASA-N	484.921	5.003	10	40	JKCB	
CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(Nc3ccccc3)c3ccccc23)cc1	44583706	QGPYKXSNVDBGMI-UHFFFAOYSA-N	471.648	7.896	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12	59435749	LMKUNEAQWKYMOM-PDGQHHTCSA-N	454.309	5.729	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1CCc1ccccc1	102851144	XTBFHBMHGZNXTP-HAVVHWLPSA-N	468.607	5.378	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2cccc(C)n2)cc1	103921420	DXBUOWROGRCMKI-JWGURIENSA-N	455.543	5.145	10	40	JKCB	
Cc1ccc(COc2c(Br)cc(/C=C3/SC(=S)NC3=O)cc2Br)cc1	113830753	GMUPFLFZWZCIBQ-OVCLIPMQSA-N	499.249	5.588	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2[C@H](C)CC1(C)C	208318092	STCVACWKCFKSQJ-NXUSMQHESA-N	454.039	6.843	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	222988789	MFKYJCSVNCMABS-ZEQRLZLVSA-N	462.619	5.048	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223494274	ZIURYGVNUGAVMQ-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223494804	XDHRSVWTWGGOJW-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C	224269022	OAWZFGORRSCKRA-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	224333786	JVCXJPZVQFXGID-SVBPBHIXSA-N	452.627	6.229	10	40	JKCB	
Cc1c(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc(Br)c1Cl	408647708	UZFJFKBVIYNHBV-UHFFFAOYSA-N	475.770	5.614	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1C	408804687	GORJWRGJYGZEAO-OEAKJJBVSA-N	460.917	5.202	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1F	408847682	NZGFMECJXHWHAG-RVDMUPIBSA-N	488.371	5.371	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1	408877769	YKFHMKLNJKOCIL-VBKFSLOCSA-N	485.298	5.378	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)c1C	408938444	QRPHNGAYXLMDBW-MTJSOVHGSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C(=O)NC2=S)c1	409012666	REMIGXLMINDNOW-ZVHZXABRSA-N	471.626	5.468	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccccc3)c12	409125323	DWPSQGOKJQBHRA-UQQQWYQISA-N	474.695	7.034	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)SC2=S)c(Cl)c1	409144676	ZTBUEONMRLIKBO-RGVLZGJSSA-N	470.019	5.730	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1	409246218	GMLBFLALEUWZDG-WSDLNYQXSA-N	478.017	5.504	10	40	JKCB	
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccc(Br)cc1	409341953	ASJZPAYTLVGLJM-XFFZJAGNSA-N	492.157	5.053	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2cccs2)C1=O	409349792	WHNULBDBPTUGJU-ZHZULCJRSA-N	468.625	5.626	10	40	JKCB	
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1	409355980	FVBGXBYWWXJHNO-OEAKJJBVSA-N	459.571	5.386	10	40	JKCB	
CN1C(=O)C(=C/C=C\C=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)N(C)C1=O	1082889389	SXNJHWJBXQFGDJ-XFXZXTDPSA-N	476.536	5.351	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN12	4090331	RLAZUIXLBOKLNH-PKJHAWMFSA-N	485.588	6.028	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1	6057147	UFYLZPWFVCSJOQ-SLSDLSHTSA-N	450.535	5.462	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	8451889	ZGDRDWKRLDNVJO-UYRXBGFRSA-N	476.326	5.627	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(C)cc4)cc3)C(=O)N=C2S1	9068165	NHGKAOCFJZFSPX-ANDFITQPSA-N	450.589	5.195	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)o2)cc1	9144633	UFGIJNGDPAMXRF-DMNVVODESA-N	458.568	5.715	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)SC2=S)cc1C	9232325	AXCDYTJUCUSUDG-WPWMEQJKSA-N	481.642	7.441	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1Br	9262111	SRGTZZNCPLYZNH-RGEXLXHISA-N	462.343	5.938	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	9291654	RUARIKXTSXMHAS-KAGZEXGGSA-N	473.989	5.723	10	40	JKCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)c(OCC)c1	9296029	GLVHLYAGPUHIJD-QJOMJCCJSA-N	474.988	6.904	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	9444148	ASQPQDMMMJIYKI-DWKHYPNZSA-N	498.445	5.117	10	40	JKCB	
COCCN1C(=O)/C(=C/c2ccc(OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	12384090	UAYHGPVQAURMGO-LZRUTDMSSA-N	486.442	5.031	10	40	JKCB	
FC(F)(F)c1cccc(-c2ccc(-c3nc4ccc(Cl)cn4c3Nc3ccc(Cl)cc3)o2)c1	12428689	OCOHGGDOLDELDF-UHFFFAOYSA-N	488.296	8.331	10	40	JKCB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1OCc1ccccc1	19842390	DJXYGIAOLSWRLF-XHPQRKPJSA-N	469.610	5.054	10	40	JKCB	
Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)C(C)C)[C@H](c4ccc(N(C)C)cc4)C3)c(-c3ccccc3)c2c1	62620591	JCSLWTBVFHWMFM-MHZLTWQESA-N	492.623	5.903	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1C	208227806	ZEANDWPGCPWXJW-HTAGGTJDSA-N	491.657	6.009	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCCC4)cc3OC)N21	222680456	YFQWSTHRLJQINO-UOKFIYJESA-N	452.624	5.069	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	223387645	PPZFEUSZCLTASC-IZLXSDGUSA-N	481.669	5.728	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223856592	LQJZNEXSKKYHEJ-KAYWLYCHSA-N	468.626	5.934	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224298802	GKTQGTBQRCHVMQ-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398863	ZFFLQBWPSOJBKJ-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc2ccccc2c1	224645289	GUEBOGIEEFXKGG-UHFFFAOYSA-N	496.607	5.789	10	40	JKCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/N(c2ccccc2)c2ccccc2)SC1=S	256055768	SMLNAOWDAFOQFV-BVMVRAIASA-N	488.634	5.701	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C	260563016	DXIZWIMHAVZWKV-NLKUQUHMSA-N	477.630	5.862	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)c1	408578378	XVGPRBQNCANSSP-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)c(OC)c1	408759800	LWFJCFZWMOIBSJ-KGENOOAVSA-N	463.331	5.301	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1	408894388	CHWYYXWZQFRERJ-MOHJPFBDSA-N	470.525	5.111	10	40	JKCB	
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409003166	RJSRPMVTTSIAML-JITTWYPNSA-N	464.591	5.742	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409060805	YEIWCHCPTOQIMT-MYYYXRDXSA-N	474.988	6.242	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1	409133440	UCPISKUMAMDGLJ-FVHJOOJJSA-N	499.057	5.754	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)c1ccccc1	409223341	GYVKNWUWARBWPF-RGVLZGJSSA-N	467.886	5.217	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1Br	409334833	XTZBNIWXRYUOQC-BOPFTXTBSA-N	451.411	5.194	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	409368687	HXENDZWQACKWML-VCHYOVAHSA-N	474.394	6.085	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1	1155740	QEBKAOWEOIIGOW-LICLKQGHSA-N	484.952	5.897	10	40	JKCB	
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3cc(C)c(C)cc32)S1	2181953	QSTSLRBVKLIRIF-QQTULTPQSA-N	495.691	6.509	10	40	JKCB	
Cc1ccccc1-n1c(-c2ccccc2)c2c(c1-c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O	2270118	OTPWYFXRALEKSL-UHFFFAOYSA-N	473.959	7.549	10	40	JKCB	
COc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c(OC)c1	6239554	PEIKQCXYHOIHJZ-UHFFFAOYSA-N	467.522	5.079	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1Oc1nc(Cl)ncc1F	8444717	AVQGWNMTGGQPGU-GZTJUZNOSA-N	452.873	5.266	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2O)c1	8767797	NWZNYUINQJFPGW-WOJGMQOQSA-N	455.297	5.741	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	8818964	LWLLIJOYYCEJIL-KNGSKEOJSA-N	453.994	5.008	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	8821415	KDWISFFZTLOVMX-CPNJWEJPSA-N	454.960	5.075	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9193168	HTXBKOPOLOPRKK-ZIFXOZGSSA-N	493.567	6.054	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cc([N+](=O)[O-])ccc5C)c4C)C(=O)N=C3S2)c1	9309777	NAUNAFYKOAMGIO-RGXDOQKYSA-N	498.568	5.287	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C(=O)N=C2S1	9730655	QBTFRCOHSBIRJF-PJSPVGSXSA-N	473.385	5.848	10	40	JKCB	
COc1ccc2c(C)cc(S[C@@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nc2c1	12546755	IFCUIORKGINIGK-SFHVURJKSA-N	496.579	6.924	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)/C=C/c3c(C)nn(-c4ccccc4)c3C)c2C)cc1	12640627	WFGPOQAAUWHHFJ-FOCLMDBBSA-N	467.569	5.644	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007084	GSCQKADTMXHBEK-GSDHBNRESA-N	497.541	6.013	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc12	19793054	UBFIBEGIQJUBEJ-UHFFFAOYSA-N	499.485	6.340	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	33458430	LKOBJJGZDGNPDX-AWNIVKPZSA-N	450.290	6.124	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cc(F)cc(F)c1	33601584	UPKKNEBAQDECCT-SFHVURJKSA-N	478.336	7.098	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	33609434	RTOYYMZMAIQAAL-DRJAIGKASA-N	460.390	5.820	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	35341198	YYXIXGCBZYJGML-ZDLGFXPLSA-N	457.288	5.173	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O	59137179	NHYQWHIHNKYUKZ-UDWIEESQSA-N	496.336	5.811	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)c(Cl)c3)C(=N)N12	103563411	SVOUPMBTMSULJW-XYSYLGEOSA-N	467.978	5.582	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1	106681662	IAAMJOZECCZIAP-QRVIBDJDSA-N	450.991	6.601	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1Br	106721911	ZOXQMPMGMRTVLY-YVLHZVERSA-N	496.224	5.514	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	106763874	ASOCJXHVGHYIQZ-UQQQWYQISA-N	485.609	5.420	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1	112296158	LYLGDOGDOXPRAD-XLNRJJMWSA-N	450.633	5.763	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223824310	FFNMLPUGQRTAIC-SVBPBHIXSA-N	483.641	5.768	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(O)cc1	224369069	KNFPKADHNJEORA-WUFINQPMSA-N	482.653	6.495	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224462886	QHEYCYQIJAQPBM-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224573463	OECKSZGSLRUEPM-LMSSTIIKSA-N	496.680	6.546	10	40	JKCB	
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(Br)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736021	AFADIRGRKHMVAB-SLSDLSHTSA-N	477.358	6.763	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1	408754690	LFUUELASZYWRDR-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1	408755219	MYLZYMVRKMGHOV-DEDYPNTBSA-N	482.721	5.845	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=O)N(c3ccccc3)C2=S)cc1C	408773406	QYLPQTXJPRGTEG-MOSHPQCFSA-N	462.958	5.411	10	40	JKCB	
CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408800866	RNQSVHKLTRHTKE-NTEUORMPSA-N	453.709	5.102	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1ccccc1F	408871136	WCORYHBXULQKIJ-DEDYPNTBSA-N	492.934	5.443	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc4ccccc34)C2=O)cc1Cl	408989173	KHHVDXDCZPILQQ-IWIPYMOSSA-N	496.950	6.047	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409023510	GFZZRGUCFBZWNV-CQKAXJAZSA-N	453.538	5.699	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	409077890	BAMRKYUTLLKDSZ-DIBXZPPDSA-N	478.979	7.062	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c(C)c1	409172402	HHHGVKZPNWFLOZ-UUYOSTAYSA-N	490.537	5.245	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)SC2=S)c1	409352617	XTNQJWUXHZMSDZ-OEAKJJBVSA-N	463.649	6.702	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccccc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	680916	RTKMJKKFHLOZIM-UHFFFAOYSA-N	450.519	5.695	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	845463	KWWLQRAZUIFFMX-LFVJCYFKSA-N	465.509	5.595	10	40	JKCB	
Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c2ccccc21	2431520	CKGSHCTXTBRICQ-IWIPYMOSSA-N	499.617	5.304	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	2754668	FDJLMPBQEBOIHT-ZWKOTPCHSA-N	461.624	5.750	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	8454093	LNKCOCDJCYZCEU-VYKTZEHYSA-N	487.024	7.121	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	9209595	HNAQJCWBKBMPHM-PTNPWHBRSA-N	474.417	6.210	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	9232826	JRIJJOXQAJOAOT-YBFXNURJSA-N	451.972	6.072	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16000257	RCBSKFGSQDRGLD-CCDWMCETSA-N	453.925	5.362	10	40	JKCB	
CCOCCCN1C(=O)/C(=C\c2cc(-c3cccs3)nn2-c2ccccc2)SC1=S	16730036	WUKAKAQEXXBYGS-HMMYKYKNSA-N	455.630	5.229	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)SC1=S	26963380	NBTNJWXYSCYTTI-SXGWCWSVSA-N	494.446	6.648	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1	41108150	SCNRDRJNGXEVOO-NHQDZBNKSA-N	494.601	6.560	10	40	JKCB	
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cn(-c2ccccc2)nc1-c1cccs1	96759281	WPLISYJMJMQFOI-DTQAZKPQSA-N	467.510	5.163	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1	100147504	XJSXZPGKPAMVRK-BOPFTXTBSA-N	485.721	5.867	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C	208237006	GZCPHZPJBCXWME-BBJIBYMTSA-N	468.022	5.202	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c(C)c1	224403909	VHKJLIPNCBXMSN-IAPPQJPRSA-N	484.644	6.731	10	40	JKCB	
COc1cc(COc2ccc(/C=C3/SC(=S)NC3=O)cc2)ccc1OCc1ccccc1	408540133	NMDUTUQHAYCICF-OEAKJJBVSA-N	463.580	5.342	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)O)n[nH]1	408632222	OUTDNIJQGMWTJJ-WSDLNYQXSA-N	495.004	6.067	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)S2)cc1	408789628	NEVKPPOWNMWMMO-OFCKJYIJSA-N	461.587	5.043	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c1C	408936467	JZTAXHZRVKGAFF-HMAPJEAMSA-N	460.917	5.202	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3SC)C2=O)cc1Br	408983869	DRJRJPIFGOEEFO-HMMYKYKNSA-N	492.438	7.041	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)NC2=S)c1	409020387	OTQIAMSXEQBURI-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409030024	BQSWIVGAGNTRNX-SXGWCWSVSA-N	463.381	5.735	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c1	409096161	JXRUNHSONGCOCB-CIAFOILYSA-N	465.527	5.509	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)cc2)cc1	409107573	SHNTXXBVWGTJHX-LPYMAVHISA-N	461.564	5.678	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1	6924726	LWLDHASCVFQUSH-OEAKJJBVSA-N	498.714	5.542	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1	9015719	XPEPMBPPFRKPAJ-VVZHRXSXSA-N	488.927	6.114	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	9188358	UCQOSDMETSNVHD-QNGOZBTKSA-N	468.688	6.459	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1Cl	9456702	RNFNJQOZNSSVMR-HMAPJEAMSA-N	499.954	5.576	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1	12466897	LQKFAZUASDHUOI-XHPQRKPJSA-N	464.952	6.754	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc3o2)cc1	16678576	ZUCLHRDJLPRKJO-UHFFFAOYSA-N	484.383	6.909	10	40	JKCB	
CCOC(=O)[C@H](Cc1ccc(/N=N/N(C)C)cc1)NC(=O)CC1c2ccccc2-c2ccccc21	17860185	IXXIUYXCQGEDEV-SLFBTFMYSA-N	470.573	5.040	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	58847114	XWDNSKMWHOPTME-RHGYRFJNSA-N	489.399	6.760	10	40	JKCB	
COc1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1	59104822	UYKOYJVWMHFLIR-FOWTUZBSSA-N	472.353	5.464	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)c1	59136225	XZTJOQGLMHBLFC-XSFVSMFZSA-N	491.544	5.082	10	40	JKCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@@H]21	104709302	IUROJABLWSDJPS-YZIHRLCOSA-N	470.366	7.280	10	40	JKCB	
CC(C)=Cc1ccc2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2n1	215744475	SBBVVZZFFLCQDQ-UHFFFAOYSA-N	450.564	5.155	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222878685	GZLDUDDYPUUWQE-FGZHOGPDSA-N	459.446	6.178	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224898334	PROQEQMEZWDQKK-NSOVKSMOSA-N	484.644	6.676	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1NC(=O)C(C)C	225189300	VGUAZHADLYAHQR-SFHVURJKSA-N	475.680	5.033	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225343044	ZDASFWJGGJIZCI-VMPREFPWSA-N	496.680	6.762	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	260925496	UPNUYXXEFILKDM-RPBOFIJWSA-N	455.631	5.281	10	40	JKCB	
CCOc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1	408572702	HTEXGAFRFCWMNX-KQWNVCNZSA-N	490.606	5.509	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1C	408600552	DBXUWPRYCISOEZ-ONUIUJJFSA-N	484.621	6.087	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1ccccc1Cl	408868349	OBKLYDUCJBFDNS-LPYMAVHISA-N	474.944	5.223	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409052936	FFTKYKGJJAQBEZ-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409062162	ORHLJXQMYWRCHE-QFEZKATASA-N	489.015	6.237	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C	409066900	XFEYULZSNFOVMY-UHFFFAOYSA-N	475.548	5.986	10	40	JKCB	
O=C1C(=Cc2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	409213417	USWBEJJMARIQAS-UHFFFAOYSA-N	498.347	5.650	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1O	409332957	SSDZQNCYRBFZAO-GZTJUZNOSA-N	479.421	5.025	10	40	JKCB	
Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(Br)cc1	3325970	LNISOMLAZLRFJH-UHFFFAOYSA-N	468.376	5.068	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)cc1	8821699	VAZPBXCQRCSDKZ-UCQKPKSFSA-N	477.973	5.960	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	12629451	WJTJWIHJJXHKGQ-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	13595397	AWGSQHPFBFJFMK-DNZWLJDLSA-N	487.599	6.546	10	40	JKCB	
CCc1ccc(OCCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)cc1	13810914	IXHABDUUVZDUGI-FISJVANTSA-N	470.598	5.840	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	34702972	IBANDAITPTYYFC-QRQIAZFYSA-N	488.547	5.006	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1F	40006372	PTVNLTFKKXKIPD-QLTNSANVSA-N	473.591	5.184	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(F)cc1	40007095	QGHREOVOPLZNEO-DIBXZPPDSA-N	492.550	6.638	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1	58845884	JUIKFELWKKIEAJ-BXTSTYNKSA-N	474.626	6.410	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1	58845927	DHMWMCGVFVBQLS-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58849398	RWTYHUBAQNJHLH-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(=O)c1ccccc1F	97990628	WQWNWPBUTRMBCM-OEAKJJBVSA-N	476.529	5.753	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)c(C)c1	208654777	XSYTYZQQDJVBSS-QRVIBDJDSA-N	484.017	7.081	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc2ccccc12	222916330	MMKQQLLXRCXPFE-SXOMAYOGSA-N	454.643	6.271	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C(=O)O)cc1	223099970	JNXXGOQRQAQFED-LOSJGSFVSA-N	474.630	5.493	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101912	NDCVPGHDYFGWBY-SXOMAYOGSA-N	458.675	6.411	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223349037	FFYHQTSRHNQVJN-NSOVKSMOSA-N	499.684	6.101	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1	224166062	MCTUXAINGXQIBW-DQEYMECFSA-N	459.018	6.320	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437202	UWQCDYJMDDHOON-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	224569670	VARHERPOLRXHFM-IZLXSDGUSA-N	497.668	5.741	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)C1	225671325	GWSPFPKCAMYTRC-NHCUHLMSSA-N	464.679	5.597	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1	408530137	LHEUEAYHJRBHGD-ZROIWOOFSA-N	461.772	5.739	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1	408571246	APKXDFHARIXYFG-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1C	408577426	SMZCSHUSEGWOBB-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408741754	KXOAKBNXIVREHE-MHWRWJLKSA-N	494.843	5.939	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1	408759861	MZZPDBWCHNNBHW-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	408803779	AKDVKQRLUGMQLT-DEDYPNTBSA-N	467.308	5.239	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	408821769	AQAWEZPFJQONCV-IMRQLAEWSA-N	480.589	6.914	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)c1	408886050	HJSYCCAQUBXOKW-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1	408986588	QUNLVBGFKBTXFJ-PTGBLXJZSA-N	457.957	6.768	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)cc3C)C2=O)cc1	408987003	UIQDMEYNTPFXLC-RCCKNPSSSA-N	459.929	6.217	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccc(Br)c(Cl)c1)C(F)(F)F	409003814	VCZGJDVISHGYHS-NXVVXOECSA-N	458.665	5.754	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	409033009	DCQHATCREICLFG-LZYBPNLTSA-N	490.388	5.504	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC	409329084	CQDKJDLOMPAEHC-DEDYPNTBSA-N	481.561	6.689	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1Cl	409341526	BLKUWDVKOJDVLN-YVLHZVERSA-N	482.410	5.650	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409350119	XKTWJZYPCYQIEG-KGENOOAVSA-N	473.541	7.053	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S	2696921	HSVOMMJMXFFRPT-UYRXBGFRSA-N	484.444	5.913	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1	8438770	LVVOAIZXVYXADD-XKZIYDEJSA-N	462.933	5.006	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(O)cc1	8872143	GKFOWVLFRVHAKR-XMHGGMMESA-N	474.343	7.430	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2)cc1	9188573	YYEMHNXIKGUYPT-XKZIYDEJSA-N	485.552	6.999	10	40	JKCB	
CN(C)c1ccc([C@@H](Nc2ccccc2)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1	9424022	AIVAHGHWMAEMEN-MHZLTWQESA-N	470.594	7.755	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(=O)c1ccc(F)cc1	13039184	VZRYKQHDMPLEKL-UCQKPKSFSA-N	476.529	5.753	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1	13129323	ZKKLHLPHPICXBN-SFHVURJKSA-N	475.545	5.278	10	40	JKCB	
CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c(O)c(CN3CCCC3)c12	15079570	IWHUQXQKTUSSQP-UHFFFAOYSA-N	490.419	5.966	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C	33706967	ACWUZHJVLOLNLF-OWOKCHRJSA-N	474.977	5.118	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC	40940264	YTNNIGMRPJWIND-UYRXBGFRSA-N	477.007	5.074	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1C	223312597	XEGNQTXGSNVQIH-RMUDUWAUSA-N	460.647	5.257	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224239125	VPJKBBMVHQYZAV-KAYWLYCHSA-N	482.609	5.703	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224533639	SMUSXZFBQMRSJG-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408586546	NQYBGTPWTKQHED-HAHDFKILSA-N	459.929	6.318	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408634651	WBWZUQXGAVFHAZ-YDZHTSKRSA-N	494.617	5.109	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(Br)cc1	408744713	ZNFIUMJTNPOJOL-XDHOZWIPSA-N	497.772	6.671	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1C	408851841	ANRBHSMCCOYECR-RGVLZGJSSA-N	482.367	5.684	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1cccc(F)c1	408869964	UGQLOVCSJMERNR-STZFKDTASA-N	495.373	5.010	10	40	JKCB	
Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	408937159	MOIROCQWMNFMAG-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C(C)C)cc1	408997805	IKDWPPKWDWFHIR-YQMJRWHPSA-N	450.564	5.352	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)NC2=S)cc1C	409138761	HSLWJPZCCQQCKZ-VEILYXNESA-N	483.681	7.021	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c(C)c1	409251080	ZWSYRDPARFLHJK-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)c1	409338121	DJELDNXKVKESNS-HZHRSRAPSA-N	474.607	5.727	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	409338223	GASJEPASIYPYMI-YBFXNURJSA-N	456.932	6.222	10	40	JKCB	
CCCCNc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C	3411394	XBYMENXYNRENGH-UHFFFAOYSA-N	462.546	5.117	10	40	JKCB	
O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1c2ccccc2nc2ccccc12	6475109	CRRKKWNDZPGUPQ-UHFFFAOYSA-N	453.295	6.104	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC	8819929	YVQINSRMSLSSNB-KQWNVCNZSA-N	498.670	5.721	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C	9144505	XIPSTGKFMREXRW-FYJGNVAPSA-N	462.933	5.088	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1ccccc1C(F)(F)F	9296714	FNVFXVAMQWJCHT-VCHYOVAHSA-N	483.895	7.164	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1	9311238	DRPUNGCTHDDIDI-FCDQGJHFSA-N	493.404	7.664	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1	9510809	BGOZRZUMDOFBAE-LPXFMOJISA-N	482.454	6.454	10	40	JKCB	
COc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	9849677	AVZKNBDRHLEXBR-JCMHNJIXSA-N	467.568	5.147	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(Cl)cc1	14671556	WGKLTILBFCDKIL-ATVHPVEESA-N	495.851	5.723	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC1=S	16228469	AIGZGLDROBKEKV-RCCKNPSSSA-N	467.550	5.370	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(O[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc2)SC1=S	26967383	ZPESMQOFKOQROS-QXSWTLKVSA-N	495.881	5.145	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)c1	33385673	FBIXEWCNWKIWAS-HYARGMPZSA-N	463.628	5.795	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2C)cc(C)c1Br	106687788	LDVVQYIMLNURDI-XKZIYDEJSA-N	495.442	6.710	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21	208243918	LMNDAGONWOBWRC-CCSWUNFSSA-N	460.430	6.798	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	214414773	NOAUYOQYRFPCPZ-UFFVCSGVSA-N	491.827	7.291	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222620160	JLMHWRINDACEPP-BJQRDSPESA-N	453.011	5.740	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222968388	MCELQAWAKJGLTD-PKTZIBPZSA-N	473.473	6.569	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103773	WUCOGSQUXUKOMC-FTJBHMTQSA-N	488.657	5.801	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503406	MJWWJKMKEKHILL-UIOOFZCWSA-N	497.624	5.063	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O	223608925	OXGLSNPJWSWRCV-CKMDTHJYSA-N	473.617	5.724	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224170083	ACEOHYBWRAVPRZ-XNMGPUDCSA-N	452.627	6.283	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(F)cc1	224367491	VYVZQFQUCQDCFI-WUFINQPMSA-N	484.644	6.929	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)c1	224533330	CLXZZYJYOMCHQU-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4)c3)SC2=S)cc1	408571632	BZEJVUREKLIYTQ-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(ccc(Cl)c4Cl)[C@@H]4C=CC[C@@H]43)cc2)cc1	408736233	MXGJJMTZFWKPBJ-NMMYMHLASA-N	456.800	8.052	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccccc1	408901911	ISUQJAUQSDBOBN-FYJGNVAPSA-N	472.418	6.978	10	40	JKCB	
COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1	408986599	RAFKKCOWLOOMTO-WOJGMQOQSA-N	484.766	6.905	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCCC[C@H]3C)c12	409127019	IMDQFHVZKPIKMW-QLTNSANVSA-N	483.703	5.462	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(Cl)c1	409141333	JJHNWWUWXSFQAX-YBFXNURJSA-N	499.957	5.363	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1C	409220707	DQWGOHDFRFNPKX-FSJBWODESA-N	477.561	5.525	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)cc1	409329457	GANXANHQCVHFGX-QNGOZBTKSA-N	453.585	5.448	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1Cl	409348573	OULHWZUDVFUBOR-LICLKQGHSA-N	498.409	5.350	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc(F)cc1	1746218	GHMDAGZYYOHIQD-WQRHYEAKSA-N	460.349	6.254	10	40	JKCB	
CCN(Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12)C1CCCCC1	1771001	OVHZLCNZAYAVFH-UHFFFAOYSA-N	479.926	6.992	10	40	JKCB	biogenic
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2c1	4362789	BBOGGVCRUGPBQD-UHFFFAOYSA-N	490.972	5.989	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccc(N(C)C)cc1	8774947	IMHNNYAXGXMKKC-RUZDIDTESA-N	484.987	5.612	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1	8843207	LYNNIYXJKLPMDJ-MOSHPQCFSA-N	486.435	5.204	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1	9531072	QFVAVCREWIMYOT-UHFFFAOYSA-N	461.569	5.423	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc12	12465010	KRQQZXJBGQVLFJ-PCLIKHOPSA-N	492.531	5.402	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	35039302	XGJNZMHVJRTUPZ-KOEQRZSOSA-N	475.635	6.027	10	40	JKCB	
COc1cc([C@@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	37170899	BNDFVFYIQXPSLV-VHSZZVNMSA-N	490.441	7.480	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)c1	58848872	GLGPLXJLPNSHDD-DFIYOIEZSA-N	476.554	5.021	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1C	59336720	MOULKVXXQACXFP-JAIQZWGSSA-N	482.367	5.684	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)N=C1C	100149896	KTKFPQCZSCYPMO-FUDBJYBQSA-N	494.395	5.412	10	40	JKCB	
Cc1cc(/N=N/c2ccccc2C)ccc1/N=N\c1cc(S(=O)(=O)O)c2ccccc2c1O	104367096	MKDRTMKLHORKSV-COGCMUBNSA-N	460.515	7.240	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208501730	KLJFOLNBOHDPLL-DEDYPNTBSA-N	466.006	5.193	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O	223513790	GPOGGQAAANAUAM-RHLNUJDMSA-N	456.608	5.393	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224170137	ACEOHYBWRAVPRZ-VPUSJEBWSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408573254	JLMNKGRFUYIXOC-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1F	408781358	CJOIYSRZEMEIFZ-HYARGMPZSA-N	487.918	5.457	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2c3ccccc3cc3ccccc23)N1	408844108	VAPWLHILLFDDTE-MKVNITDJSA-N	477.563	7.595	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc12	408878742	CZDBUFKBQKTOTR-XQNSMLJCSA-N	466.468	5.224	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F	408897664	ZHLDAXCQPZMKRD-UDWIEESQSA-N	494.906	5.123	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S	409339603	WWGMRVKZYSVEHG-WQRHYEAKSA-N	482.852	6.293	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O	409343126	GBKPXVAMPLDDND-BOPFTXTBSA-N	450.379	5.262	10	40	JKCB	
O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(Br)cc1	2184798	TVCHSLIGBNYUIH-UHFFFAOYSA-N	493.429	5.716	10	40	JKCB	
CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	2726028	VETKYPQBUWFYRK-HSZRJFAPSA-N	460.357	5.984	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	8920863	CQFPCSCNSZUBJN-CJAUYULYSA-N	495.088	7.668	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	9291685	GSCQKADTMXHBEK-UODIDJSMSA-N	497.541	6.013	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCc1ccccc1	9849830	FYOPGEACZZPBQG-UQQQWYQISA-N	494.978	6.762	10	40	JKCB	
CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S	9884831	BYUIIWXCTADTRG-BRYYZUPOSA-N	466.378	5.082	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16000148	NLQRIIFGZITTRC-QKDODKLFSA-N	487.580	6.064	10	40	JKCB	
C[C@@H](Oc1ccc(/C=C2/C(=S)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)cc1)C(=O)O	16322459	SIUJHRGAGDUHKC-QQMDNXKGSA-N	465.314	5.153	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1cccc(C(F)(F)F)c1	16480735	RWCRALMMZVUFPI-BKUYFWCQSA-N	471.525	6.690	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S	16729725	CFXJTFARHCDWTB-CTFRJJSNSA-N	476.652	6.149	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1F	26842523	PAILBQJVBVSHAR-AKJJSLRDSA-N	476.577	5.066	10	40	JKCB	
CSc1ccc(/C=C2/SC(N3CCC(c4nc(-c5ccccc5)no4)CC3)=NC2=O)cc1	32624741	XNPNFPPXOGYNLJ-HMMYKYKNSA-N	462.600	5.308	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c(C)c1	58846280	DCBSUTZICSRENG-FYQCMVGJSA-N	474.582	5.659	10	40	JKCB	
Cc1cc(S(=O)(=O)O)ccc1/N=N\c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1	104390092	QWTSQNJVPXEOLI-LYJPHZJBSA-N	460.515	7.240	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OC)cc4)C3=O)o2)cc1	113834593	QOVTVDOKRMNVCN-DEDYPNTBSA-N	451.525	5.148	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	223762108	AEXOYOXLUUFDCT-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(F)c1	223857276	XRZYIDWSEBXJCC-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C	224271545	WSSGDDACVZYMPU-XRKRLSELSA-N	480.681	6.900	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224607400	VYIGAWYTMXSSJX-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225527750	WDNSSKRTNRYWOA-NSOVKSMOSA-N	495.652	5.490	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2Cl)c1	408884759	VLCADSZEQKFYQF-WSDLNYQXSA-N	489.915	5.122	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(Cl)c1	408946697	ZCHINQAKMJQVIE-CIAFOILYSA-N	467.352	6.387	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl	409014714	YEYKYPYLOGHPJA-KYJZABPNSA-N	467.736	5.491	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409206011	GSXOLTMYDTWNCM-JAIQZWGSSA-N	482.367	5.401	10	40	JKCB	
CCCn1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc21	409347820	NKWMHWQNRWVVBK-GRSHGNNSSA-N	491.863	6.873	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	409352642	YCMMKEYUXREJSD-HMAPJEAMSA-N	462.552	5.888	10	40	JKCB	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	1802016	ODMAKYGGRUSZPS-FBKCMUNRSA-N	466.378	5.164	10	40	JKCB	
CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CC)CC)cc1)N(C(C)=O)c1ccccc1-2	2094870	PJAPNCZILZZVMB-AREMUKBSSA-N	491.661	6.111	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cccn2Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	2259151	VSWGDWWOHWAIEW-GZTJUZNOSA-N	458.276	5.489	10	40	JKCB	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)CC1	2295950	BTCTZDBSLZKKAA-XHPQRKPJSA-N	469.610	5.367	10	40	JKCB	
COc1cc2ccccc2cc1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	3283666	PGTXFDIERANGMJ-UHFFFAOYSA-N	479.479	5.897	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	6444763	OAFNLWWUNWOWLQ-QCFAMHMHSA-N	490.397	5.642	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2	9232852	AWRSAJBGIGCVDW-VULFUBBASA-N	497.597	6.553	10	40	JKCB	
O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	9310627	RMJJLIRPLRAWKP-LDADJPATSA-N	475.473	5.810	10	40	JKCB	
CC(=O)N1c2ccccc2C(=C2SN(C(O)=C(C)C)N(C(O)=C(C)C)S2)C(=S)C1(C)C	9679439	BCRFMHKSHZGEBZ-UHFFFAOYSA-N	477.677	6.318	10	40	JKCB	
COc1ccc(C(=O)Nc2cccc(/C=C3\SC(Nc4cc(C)ccc4C)=NC3=O)c2)cc1	13039185	BJYCUWZQBIUTDU-HAHDFKILSA-N	457.555	5.647	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1	19793040	SXYIMVLWLYSQAP-HNNXBMFYSA-N	461.480	6.247	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N=C2SC=C(c3ccccc3)N12	20210810	QBKTURONNTYQBU-KUYAPCGNSA-N	475.917	5.343	10	40	JKCB	
Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccccc3/N=N/c3ccc(O)cc3)c2C)cc1	39577015	ANKCCPVJKSXONH-QVIHXGFCSA-N	483.528	5.714	10	40	JKCB	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	44085653	ODQWBNUEASELDI-UHFFFAOYSA-N	450.789	5.717	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58846070	QHBSFRZEWULVIS-UNVFRBQDSA-N	465.018	6.530	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1	58846379	BJVMTQAMYYWKJV-VVZHRXSXSA-N	475.570	5.839	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(O)=NC(=S)N1c1ccc(Br)cc1	59198494	CINHNFCOYVHCBA-KGENOOAVSA-N	493.382	5.700	10	40	JKCB	
O=C1[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1	100414424	NBVUTOWQEBFCTK-PVHODMMVSA-N	499.522	5.049	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	103918215	QUWHBXIWJWSJED-HFTWOUSFSA-N	494.664	6.885	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)o1	108254965	LLLNZOYAZJWTCE-WSDLNYQXSA-N	464.543	5.327	10	40	JKCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	112295057	YEKSYYQNBCAJLG-XHPQRKPJSA-N	457.599	6.735	10	40	JKCB	
CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223649166	GYQOLFUOSGRDHT-SVBPBHIXSA-N	484.625	5.178	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1	224013495	ZPZJWQSHNPZFBO-FTJBHMTQSA-N	486.572	5.534	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224334343	HVOIZGGPEIVWRM-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1C	224436146	FOURJLBNXDMHKR-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224532129	YSVWHRQNFZFANC-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Cl	224603092	XWVXGCSOJWFPNI-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608833	WKCIDWOORMGXGZ-IZZNHLLZSA-N	498.608	5.378	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1C	408739397	BKMLDSCKXRBFSI-LPYMAVHISA-N	463.990	5.196	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c(C)c1	408813431	NESMMROCTKYYBI-CPNJWEJPSA-N	495.362	5.856	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3F)c(Cl)c2)C1=O	408869301	QTKCDAUQBZZFLP-MOSHPQCFSA-N	462.908	5.299	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	408874660	DTTNHUMRRDQHLU-YDZHTSKRSA-N	489.915	5.122	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1	408967081	PTKRZHOYXPUJCU-UDWIEESQSA-N	497.979	5.117	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccccc1Cl	409339255	GEORONKVTUHYMR-ZVHZXABRSA-N	493.028	7.196	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O	409340282	TZVUDTBCSONKNY-JCMHNJIXSA-N	498.467	7.187	10	40	JKCB	
Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1	409365359	YBFABTNBQMUYDL-OEAKJJBVSA-N	459.571	5.386	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1	3768977	ZDUBZONGXINGFI-CIAFOILYSA-N	499.972	6.113	10	40	JKCB	
Cc1ccc(N/C=C2/C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1	8445039	QGEGULHYFRGDSV-RCCKNPSSSA-N	470.623	6.404	10	40	JKCB	
Cc1cccc(N[C@H](c2ccc(OCc3ccccc3)cc2)c2ccc3ccc(C)nc3c2O)n1	8452907	GSZIEKUUOZPTTD-MUUNZHRXSA-N	461.565	6.733	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2ncc3c(n2n1)CCN(c1ccc([N+](=O)[O-])cc1)C3	8857431	ZRPBUAIGVWYZJJ-UHFFFAOYSA-N	470.558	5.336	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccc1C(F)(F)F	8871699	CTCAOCKTDFREFG-ATVHPVEESA-N	468.497	5.465	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	9209952	INOOBEUWQUJKNT-AKDDRWFUSA-N	495.652	6.584	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310270	SIYOIKLKSGUSSW-WOJGMQOQSA-N	453.457	5.169	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1	9531173	WCWBXSYPODZQFG-UHFFFAOYSA-N	479.559	5.562	10	40	JKCB	
CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	12139851	ODMAKYGGRUSZPS-DWKHYPNZSA-N	466.378	5.164	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58849054	DMKZDCLADLEOAJ-ANSQWYIGSA-N	464.562	5.852	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1	95470936	YWWHXXLAMIZTPY-JCMHNJIXSA-N	480.977	5.168	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OCc1ccc(Cl)cc1Cl	113831021	UKDNHKBETNMTPL-YBFXNURJSA-N	469.324	5.042	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Br)c1	222615552	AVMYULCMUUABPP-ARBPTSGCSA-N	467.436	5.841	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223551686	ITUQLBLRTMSXQW-GKXUUXLPSA-N	482.049	5.672	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224266398	SPMHPIAXQBVRNQ-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224339957	FNRWQDKBPYSJOV-PQHLKRTFSA-N	494.708	7.154	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224465921	OKOXELHVAALSSS-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(N4CCCCC4)cc3)c2)cc1	225417948	FBBDWGDDOJXYNN-UHFFFAOYSA-N	485.697	6.692	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2F)cc1	408841359	IKSHCALPQJPILO-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1	408847727	RHDKXJUBIMWRRC-HYARGMPZSA-N	491.385	6.233	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc12	408868687	OADATSGAQWWNIA-CJLVFECKSA-N	484.914	5.890	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409010789	LIRIYORJQSHHAZ-IWIPYMOSSA-N	458.533	5.727	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409066315	BQGQZECVJYOCEN-DEDYPNTBSA-N	487.364	5.567	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1cccc(F)c1	409083166	SBYXFFZIHPXIOH-DIBXZPPDSA-N	492.550	6.638	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	409338084	CTFINFBWMDKCMV-FYJGNVAPSA-N	474.434	7.341	10	40	JKCB	
CC(C)n1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc21	409345278	KTDDCVLEGMZGLW-DJKKODMXSA-N	491.863	7.044	10	40	JKCB	
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)n1	2616298	WELOEGOMDBPONO-UHFFFAOYSA-N	470.957	5.655	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3309166	BDUTWUHPLWZPPI-UHFFFAOYSA-N	475.491	6.402	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)n1-c1ccccc1	3345776	GQYATAMYAAMPMU-UHFFFAOYSA-N	476.605	6.588	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	8821476	BLKPKFXZLYOFJM-CPNJWEJPSA-N	499.411	5.184	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)c1	8821531	NXWXXDFLFGXDHG-RGVLZGJSSA-N	470.959	6.531	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1F	9308061	ROIGMKQWLAVEDX-ZYAFDPRBSA-N	461.497	5.040	10	40	JKCB	
CCOC(=O)c1c(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)sc(C)c1C	10232785	GVWABGDVUABKIH-RVDMUPIBSA-N	494.685	5.223	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)cc2)cc1	12411761	SZGUWLDVMTURRF-QQPLZMDUSA-N	462.634	5.450	10	40	JKCB	biogenic,in-vitro
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1	13752284	SUWVZUXXGXXBGH-STZFKDTASA-N	493.610	5.004	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	13899185	QXYPTYNAFSZRJV-JCMHNJIXSA-N	481.620	5.164	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)Nc1nccs1	44086397	ZYJFSSJMKAQSPP-UHFFFAOYSA-N	485.432	5.548	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S	51364653	NRFRZXDBYPEBTQ-KWZJRMENSA-N	453.994	5.008	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	80348159	JLOYYQGWHGJSJW-VKPUNFQASA-N	459.619	5.910	10	40	JKCB	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)C1	100650787	RIUQYEWZDJLFRW-CBZJRKILSA-N	460.599	6.176	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C(=O)NC2=S)cc1	408762100	MXYFYQFFYJDMFL-ONUIUJJFSA-N	494.572	5.259	10	40	JKCB	
CC(C)Oc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408816085	QYGFOXQFKARLKV-RIYZIHGNSA-N	498.160	5.210	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(F)c2)C1=O	408887359	PZOAFHSRCQQMAU-XDHOZWIPSA-N	499.325	5.686	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C	408962468	YLDQPWJQPFSCQD-CPNJWEJPSA-N	496.394	5.938	10	40	JKCB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409066730	CIBQZEZZGCVYAA-OPFCKLNOSA-N	497.798	5.108	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C	409098018	ICZICJLSJUPLBV-KGENOOAVSA-N	492.044	5.758	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S)c1cccs1	409328218	QBTVTIGMVVGGBE-OQLLNIDSSA-N	481.407	5.861	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1O	409329380	FMPAMHIBHHMYPP-PXNMLYILSA-N	456.372	5.512	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1	409349633	VQRXWSTXCRJSFR-IWIPYMOSSA-N	455.560	6.708	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409351218	ZLQIOIOTYYIQFH-PXNMLYILSA-N	489.243	6.560	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(Cl)cc1	2302413	OTDZQUOUJKSSEZ-BOPFTXTBSA-N	471.694	5.869	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1	8820801	MSVVBWOICWAVJZ-UQQQWYQISA-N	492.044	6.848	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1	8821452	SQHZUEZGKVWHAW-RGVLZGJSSA-N	474.390	6.862	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1	8919880	IVWULXATDPVHCT-MLCYQJTMSA-N	483.859	6.840	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@@H](C(C)=O)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9010093	ZYIITSFJYWTWLV-KWXIBIRDSA-N	481.523	5.247	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	9311626	PZNHKQDGASCKIK-RAXLEYEMSA-N	461.301	5.224	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(NC(=O)c3ccc4c(c3)C(=O)N(c3cccc(C)c3)C4=O)cc2)cc1	13425477	DBMGTICOYZQHFL-QNEJGDQOSA-N	474.520	6.772	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S	27026101	IFJQSFQXQHXMKC-HAHDFKILSA-N	461.656	6.582	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1C	27533817	FQKJMQOCUJVOKG-TUKHXMGSSA-N	462.575	5.036	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	41084887	JSTMGVLMMUFPJE-AEVKUXSFSA-N	487.673	6.691	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1F	41107961	JEGFPQVQUOCQJI-VNBAYUTASA-N	493.567	5.805	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1	58845858	SZFAFLHKYNVKNT-XXAUWVGASA-N	476.598	5.640	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1	58846419	UHFUTNNQCLTSBE-JWZKTCGFSA-N	458.627	6.548	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848788	RQNAIOVRBPHIHB-PPJWLVRDSA-N	462.571	5.331	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)SC2=S)cc1	59536387	FJPHEZONZIJVHC-KGENOOAVSA-N	465.552	5.538	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cc(Cl)ccc2Cl)cc1	103922358	CBCAGJNZCNBBMK-HAHDFKILSA-N	482.367	6.148	10	40	JKCB	
Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)c1C	104090876	MFDBDDZCBDTELS-ZUELCTOOSA-N	490.549	6.087	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Br)c3C)N21	222698196	UQHKGMCHTBGOIH-JJEOQYAHSA-N	481.463	6.231	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc21	223488868	MDPGNIJTKVNUGQ-OEAKJJBVSA-N	457.574	5.380	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223974054	ZPZDPTXRBIMZOL-SXOMAYOGSA-N	499.615	5.764	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224239443	NJNRTEZBWHGDEU-YTMVLYRLSA-N	480.681	6.900	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)cc21	260926988	XQAMAVMJMWXQPS-RRPNLBNLSA-N	468.670	6.507	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S1	408806998	JRSVXUDZMZDYTK-UHFFFAOYSA-N	457.406	6.472	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O	408968542	WZCIZGUBHGDJCD-XYGWBWBKSA-N	484.600	5.231	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2	409349715	QMLLFTJCGUZJEI-LSHDLFTRSA-N	499.972	6.193	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O	706666	HXTBQUXUAGGWDA-FOWTUZBSSA-N	471.365	6.217	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1-c1ccc(Br)cc1	2293108	JYKILYPXHAUAAL-DEDYPNTBSA-N	480.387	5.528	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1	3247801	LLQQANZKGKQWMR-UHFFFAOYSA-N	456.517	5.296	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccc5c(c4)OCO5)c4ccc(C)cc34)C(=O)N=C2S1	8450642	OOZPPLGHCQMWGD-RZIXDFODSA-N	499.596	5.454	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c1	8821455	SOWFRETUOFQKGZ-RGVLZGJSSA-N	460.407	7.276	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1	9188218	BGFDHOLNHBEYRT-ULJHMMPZSA-N	460.002	5.800	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9233248	XXLSJMYEMKKYPB-OAXZUEFOSA-N	487.560	5.218	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S)c1cccs1	9235915	IZWQWPKJSZKDRT-MHWRWJLKSA-N	480.514	5.573	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1	10130880	IZIQXOSLXMNBIX-NDENLUEZSA-N	494.465	6.531	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1	26686967	JNURQUUJDUGCTO-NDENLUEZSA-N	485.970	5.562	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	36081687	MYCKRVMUOVTVDQ-KHVXQDHOSA-N	459.973	6.922	10	40	JKCB	
COCCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	44085921	CWLLQOLVZPAWIE-UHFFFAOYSA-N	480.815	5.343	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(O)cc2O)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59105162	JHZNGTWOPUNRAO-LSHDLFTRSA-N	458.514	5.072	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccncc3)SC2=S)cc1	102851141	SVGAPVHOLYQCKC-JJIBRWJFSA-N	498.633	5.387	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C(=O)NC1=S	223561161	OAMOEDINTHLSHN-GNFOSXPUSA-N	475.658	5.581	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223972440	ZQGBIANEVRXOJC-WUFINQPMSA-N	495.652	5.933	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224868208	SVPNJNDWKCVADA-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1F	224899549	SHPGNDDVEQMOHY-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1	225139570	VLAJJLLJLCNLRT-UHFFFAOYSA-N	486.037	5.225	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC(C)C	408601876	LVWUAQMLVRODPM-YBFXNURJSA-N	477.991	5.085	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Br)N1c1ccc(F)cc1	408761573	GVPOBMVLFKCSSY-RGVLZGJSSA-N	490.159	6.730	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c1	408762793	GHFMNLCAJPVFEJ-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(-c2ccccc2)n1-c1ccccc1	408774208	BYWQPGDPXGVAON-OQKWZONESA-N	481.552	5.423	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	408776350	ZFHSTFLZKPYOBF-OYKKKHCWSA-N	476.960	5.633	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)S2)cc1	408784613	VBYPUYYYADIDRU-CMISJSSVSA-N	459.659	6.554	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S1	408809288	RGNDZTRLLOQJCB-UHFFFAOYSA-N	473.405	6.173	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	408811226	AAZVZSMOKSEWBY-VCHYOVAHSA-N	488.371	5.371	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1	409049358	ZFPNULPOEWNEJS-RIYZIHGNSA-N	476.357	5.455	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409125148	MRECNURBZSMGRG-ANYBSYGZSA-N	492.644	7.430	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc(Cl)c1	409145279	NUBUQLPRBNLBQA-HSZRJFAPSA-N	499.057	5.684	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1O	409180725	USYVYPNMGSYFQM-VIZOYTHASA-N	488.787	5.752	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12	409209351	DTMVBPRUEGXEDU-WOJGMQOQSA-N	471.357	5.916	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409237830	XLWRKKCMFBRLAM-CPNJWEJPSA-N	470.472	5.089	10	40	JKCB	
[N-]=[N+]=NCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCN=[N+]=[N-])cc3)cc2)cc1	1889299864	RKLJQMXQRPKXHJ-UHFFFAOYSA-N	454.494	5.897	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1	1256128	MJGMSPZBSGZFBC-LPYMAVHISA-N	457.436	5.475	10	40	JKCB	
Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(OCc3ccccc3)cc1)CO2	2158568	MJVXJYOVBFRJQT-UHFFFAOYSA-N	475.544	6.704	10	40	JKCB	biogenic
Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1-c1ccc(F)cc1	2639808	FBWVIFKFWXPJON-UHFFFAOYSA-N	452.580	5.672	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OC(F)F)cc1	3338351	KUCSKXMYPQXDKS-UHFFFAOYSA-N	467.390	5.754	10	40	JKCB	
O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	3662569	LCLFHPDMBWRCQB-UHFFFAOYSA-N	490.584	6.014	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	8742622	LTDGRJYSCILIQL-LOYIFYEOSA-N	498.535	6.207	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1	8819760	QZHNGRQDIHXCFC-ZHZULCJRSA-N	459.036	6.049	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	9193218	HDYQFBUGGHBZTQ-FJVWWGQZSA-N	469.614	6.303	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S	12274915	NZNWEKIQWSPVGJ-UQQQWYQISA-N	497.645	6.516	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13811203	SFIHUBWANNPSNI-BIPOUQRHSA-N	483.553	5.615	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC1=S	33396804	ATZMJKPCWSNEFS-XLNRJJMWSA-N	483.593	5.320	10	40	JKCB	
Cc1cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccccc2)no1	44086404	DOYMRKRNMLQWAD-UHFFFAOYSA-N	483.391	5.388	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	106724858	LBCZMLVBJDRRKS-JAIQZWGSSA-N	498.354	5.952	10	40	JKCB	
O=C(COc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1	106884218	VGFFRGUCVCKXDZ-GIDUJCDVSA-N	473.790	5.153	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208191891	BEQIBFFWPVLJPC-LPXFMOJISA-N	460.430	6.798	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223005288	DCAFQCCLBKYVIZ-CLJLJLNGSA-N	456.615	5.261	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223344375	QNSHOGGRQRGHGY-CLJLJLNGSA-N	456.615	5.817	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224209054	IZUFCNBVPDCNFJ-RPBOFIJWSA-N	453.615	5.678	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224875084	JEKJEYVBAITMSS-JWQCQUIFSA-N	490.032	5.729	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408576764	RAMOQVWZBULUKH-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)Nc1cccc2ccccc12	408735741	WJBJOIHDWZWSGM-UHFFFAOYSA-N	464.528	7.887	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)c(OC)c1	408752520	BFEKFEYFELAPDL-KGENOOAVSA-N	488.996	6.715	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	408780918	NGWBVMGGEQNCGU-RGVLZGJSSA-N	468.340	5.376	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2OC)cc1	408840781	FVDWCEDZQAJWKG-HYARGMPZSA-N	467.352	6.235	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1	408877085	PQFDIBNBBHUSRA-XSFVSMFZSA-N	495.760	5.360	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409061895	JTJHNTAQUMEMPF-HAHDFKILSA-N	474.532	5.427	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC(=S)N1C[C@@H]1CCCO1	409080042	CZPYYFFGNDDARC-SCWSXOCZSA-N	490.444	5.408	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)c1	409100784	WQZBEHYEZDFKQC-SRZZPIQSSA-N	497.382	5.241	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)SC2=S)cc1	409352875	ZJUMCARVKBUSLX-ZHZULCJRSA-N	451.529	5.190	10	40	JKCB	
COc1ccc2c3c(n(CCCn4ccc5ccccc54)c(=O)c2c1OC)-c1ccccc1C3=O	1547139590	UVSIENBQZOHBOX-UHFFFAOYSA-N	464.521	5.275	10	40	JKCB	biogenic
Nc1c(/N=N\c2cccc(C=Cc3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	2049241001	CRCOCKHORNPKSY-YOYWYZEBSA-N	469.526	6.131	10	40	JKCB	
Cc1cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(C)n1-c1ccc(Cl)cc1	3314600	YLEWHHNMYGFQPU-UHFFFAOYSA-N	460.748	6.259	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccccc1O	8774966	ZXAJIIKOCKPCNU-JOCHJYFZSA-N	457.917	5.252	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3)C2=O)cc1OC	8819916	VBEBRVJCZIQQAM-PGMHBOJBSA-N	470.616	5.104	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1	9187053	OAIDSWHZXOREAD-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16007214	CCWBFFAKEAZBOD-NHKHRBQYSA-N	499.541	6.142	10	40	JKCB	
O=C1N=C(O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12	16525762	KMIPBTTVMRIDDA-HMAPJEAMSA-N	460.411	5.883	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4C[C@H](C)O[C@H](C)C4)c(O)ccc3c2=O)c1	16739205	NPFRDHZCEKVJIL-IYBDPMFKSA-N	477.479	5.536	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	19997941	DWYIUMBRCUKPDP-NPVLQNQSSA-N	495.007	6.647	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)c([N+](=O)[O-])c1	20238817	ISFJUEKUPUSYGH-JIGGIXHTSA-N	486.509	5.558	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(OC)cc3)S2)cc1	35025610	OTSOIBDQHBNGRZ-JCMHNJIXSA-N	460.511	5.005	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@@H]1CC[C@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@H]4CC[C@H]3[C@H]1[C@@H]42	37246228	WVSXJYGUVHEAPF-IGTBDSDISA-N	465.593	5.781	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1	58849652	LDAPKPPSAJFOQT-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(OC(=O)C3[C@@H]4CCCC[C@@H]34)ccc(OC(=O)C3[C@H]4CCCC[C@H]34)c21	100499942	FUPVOQPJVDTFCY-BALXVJCKSA-N	484.548	5.145	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	102330557	ZQEXFWGGECWIDK-WOUGYZGKSA-N	487.662	5.708	10	40	JKCB	
CC(C)n1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc21	110422964	GBJCFTLUBNUTKK-LSHDLFTRSA-N	479.671	5.671	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c(C)c1	223389865	JXTGPUXNPITUEY-XRKRLSELSA-N	480.681	6.587	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223973880	YNEBCAQVQHMGER-RRPNLBNLSA-N	499.615	5.764	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260925655	WLJSKBTVOZNSKR-QGUKFAFCSA-N	460.647	5.203	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(C(C)(C)C)c1O	408535829	XBCOBTMCYCIGAX-XDHOZWIPSA-N	460.064	7.046	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1	408737811	HNRCROOEYQOFMD-CAPFRKAQSA-N	479.448	6.234	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408773337	PSWGMPRJLLEPBC-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408778531	VWEBKQXPNBAXSG-NDENLUEZSA-N	496.394	5.669	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	409030424	DHZOWMHIBHUOMI-WQLSENKSSA-N	463.318	5.356	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	409036202	AMMCLFYUWZVZPO-MDWZMJQESA-N	452.766	6.102	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2C)ccc1Br	409129334	GILVOICTNZXQCW-ISRVBRPNSA-N	491.476	5.545	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccc(F)cc1	409141644	BDTSVNWDGZHDCN-QFIPXVFZSA-N	472.006	6.030	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)ccc1Cl	409200930	KKOIGOWXBLRDAT-NDENLUEZSA-N	487.961	6.322	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1C	409243120	VQZCGRZBDPTEBL-DEDYPNTBSA-N	463.990	5.196	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)SC2=S)c1	409328863	BPURPEORONXWIL-FYJGNVAPSA-N	451.594	6.277	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc([N+](=O)[O-])c1C	409331761	OWAMOZSYOLEWRX-JAIQZWGSSA-N	481.511	5.786	10	40	JKCB	
O=C1/C(=C\c2ccccc2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21	1011255	DFUFXPZYHDNGOF-CJLVFECKSA-N	474.632	6.107	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\CCC(Sc3ccc([N+](=O)[O-])cc3)=C2N2CCOCC2)cc1	3202583	YISYAVHUCGJPBA-XUTLUUPISA-N	465.619	5.954	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	9136094	IPJLKCVIONTONL-MQBJAROCSA-N	498.718	5.267	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1	9291964	AQCIOSAIZYWBJN-VIZRJVHBSA-N	483.597	5.409	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)cc1C	9463981	GKVWZLRYAXOQCJ-XKZIYDEJSA-N	463.990	5.196	10	40	JKCB	
Cc1cc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Cl	9659824	QQJFMLANKWSDPN-KQWNVCNZSA-N	482.026	6.512	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	14009604	KPEVBIRSLYPJDE-HAHDFKILSA-N	486.568	5.297	10	40	JKCB	
O=C1/C(=C\c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)C(c2ccccc2)=NN1c1ccccc1	16491760	KKKIZBHHJFZRKV-MEFGMAGPSA-N	482.543	5.667	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cc(C)ccc1C	33390938	ZYZOZXBEHFCZHQ-MOSHPQCFSA-N	478.035	5.644	10	40	JKCB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O	101181685	PROHNLRRZLTDRT-GIWBLDEGSA-N	499.350	5.149	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc2ccccc12	208662951	VSGXQIGFLQNUQC-XKZIYDEJSA-N	482.413	7.812	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	214106225	VFJUKWSUUKEMDQ-WSDLNYQXSA-N	471.409	6.946	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1C	224169609	CSFPHMVWGNNLHU-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C	224268163	KNLIPOOQOMKWHG-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224299572	RFFKINREVMGBDK-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCCC2)cc1	225696101	YWGBFMPCJHIDOK-OAQYLSRUSA-N	485.697	6.863	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260921191	OUGJGGMCNHRKDD-RRPNLBNLSA-N	484.669	6.289	10	40	JKCB	
COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1	408575320	JSWVAOLUBNSEGW-UCQKPKSFSA-N	490.606	5.427	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cc1	408738186	RTTJHKYMUDSTOE-LTGZKZEYSA-N	486.398	8.287	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)C1=O	408817190	ZXQAWVFYBISASF-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	408870380	UXUAPNMGUJMVBG-MOSHPQCFSA-N	462.958	5.059	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1C	408879211	CDZBSCMTFROOTG-BKUYFWCQSA-N	476.985	5.367	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2ccccc2Cl)c1	408883284	SMDAOIOETUZZNH-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
O=C1C(=Cc2ccc(Sc3ccccn3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408989056	GRRFFOSELKAJGD-UHFFFAOYSA-N	483.574	5.574	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C(=O)N(c3ccccc3)C2=S)cc1C	408997848	OICSKTDIFZLDFI-KGENOOAVSA-N	491.956	5.613	10	40	JKCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O	409012010	IJWDMSRSXAJYNF-STPJHCLOSA-N	495.044	7.161	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409071872	QBXVCYFBXAMRAZ-YSMPRRRNSA-N	470.569	5.597	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)c1	409097157	LQGYTACPYNQHNQ-YDZHTSKRSA-N	488.565	5.933	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409131415	IKUPZHTYIOZRAY-VEILYXNESA-N	498.648	7.061	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3F)SC2=S)cc1	409342085	BJUNNYGDTJBQJY-HZHRSRAPSA-N	464.587	5.877	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCCOc3ccccc3)SC2=S)cc1	409345187	KDYOPLHHRAFQAA-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1nc2ccccc2s1	2293207	CJSLJHPSRTVPKH-LFIBNONCSA-N	460.005	5.180	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	8450648	FQPNWGYRGOZIES-ICALIKLASA-N	475.618	5.611	10	40	JKCB	
CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	16186472	OHAICLYRXJNJBH-QFIPXVFZSA-N	465.897	5.578	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16429438	SYDQHLRKDMEHQN-WQRHYEAKSA-N	487.356	6.023	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	27501255	ULBAOPROOQJSNU-GDNBJRDFSA-N	486.267	5.666	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c2ccccc21	33458298	APDGKSIMTKIGBU-RSQAEGOUSA-N	495.633	5.921	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	33609581	LUMMPNJEWVMHQU-QPJVQXSBSA-N	477.952	5.554	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58849074	YTDMXSCRCJYTTJ-LZCXECNNSA-N	481.017	6.366	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)o2)cc1	59137935	CMBIMWHIUNKJLL-LDADJPATSA-N	483.343	6.008	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C	208502314	DOCVFULPDZCULD-UDWIEESQSA-N	466.006	5.193	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Br)c3C)N21	222698142	UQHKGMCHTBGOIH-NLSFWIRASA-N	481.463	6.231	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	223887844	RWIMNOMLAGBLMG-UIOOFZCWSA-N	468.630	5.127	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)nc1	224439050	JPAVFVXPBMANAO-JWQCQUIFSA-N	457.578	5.509	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1C	260572663	XRSSFGMMDNEQTG-LSCMLXDISA-N	473.617	5.779	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	408571651	CCDWCERRDXCWLY-BKUYFWCQSA-N	470.616	5.021	10	40	JKCB	
CC1(C)OC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)O1	408732453	RSXJJMHRTKCKSA-UHFFFAOYSA-N	483.951	6.684	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1Br	408738791	OURUHPPGQNNTLX-PXLXIMEGSA-N	474.398	7.052	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408770575	ZDOYCWGKWVXOGG-WJDWOHSUSA-N	466.253	5.345	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S1	408805102	DRLVQSBVZBAAFA-UHFFFAOYSA-N	452.987	5.828	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@@H]4C)C3=O)c2C)cc1C	408814508	VSERGCUIAJINKA-KXVWQKEMSA-N	498.716	7.765	10	40	JKCB	
Cc1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)cc1C(=O)O	408852272	RJQPBVABWAMLPS-UHFFFAOYSA-N	492.487	5.537	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409021949	GIBRDIKXSQDTDP-OEAKJJBVSA-N	475.589	5.362	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	409023212	UXLOOJWCEGCOKE-BNCCVWRVSA-N	457.140	6.177	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1CCCc1ccccc1	409147585	YVDIMBGXVKWUOO-XMMPIXPASA-N	465.615	5.809	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1Cl	409327983	OQSSEZHLHDRBGU-JAIQZWGSSA-N	485.970	6.021	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1I	409338941	QXQZVOZQHZRLCP-OVCLIPMQSA-N	487.771	5.359	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	409359900	OBEZWDKMGVDWKN-WSDLNYQXSA-N	485.392	6.320	10	40	JKCB	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Oc4ccc(Cl)cc4)cc3Cl)S2)C[C@@H](C)O1	585152311	NMJMVONNYLZERI-ZFXXEDEQSA-N	463.386	5.865	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c2ccccc2n1	3350637	FIHARIJEXLMARI-UHFFFAOYSA-N	464.468	5.592	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1	8437491	YSGHIXNXWVVQJT-BUVRLJJBSA-N	469.541	5.136	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1cccc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1	8494979	JIURSOGDLOUSPY-JDWMLSBISA-N	490.629	5.933	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cccc(Cl)c1	8871691	SGHOIEZXKBYNRA-BOPFTXTBSA-N	495.851	5.723	10	40	JKCB	
CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccc(N(C)C)cc1	8927291	AKFILMQBRLZLEO-MUUNZHRXSA-N	488.672	6.509	10	40	JKCB	biogenic
CCCCn1c(NCc2cc(Br)cc(Br)c2O)nc2ccccc21	9008936	QFLUAXMDPGUTGF-UHFFFAOYSA-N	453.178	5.679	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)cc1	9188507	GPOZDJXRSKFBOK-HMAPJEAMSA-N	452.000	6.633	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	9292123	CHLPTDFDGOOCEA-COKQPZDUSA-N	459.497	5.532	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2C)C(=O)NC1=S	9311813	PVTWGBILPOGHOY-BWAHOGKJSA-N	491.616	5.846	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	9348525	RSJZMULUNLUBCU-XYGWBWBKSA-N	481.646	6.558	10	40	JKCB	
COc1ccc(N2CCN(c3cc(-c4ccccc4)c4cc5c(cc4n3)OCCO5)CC2)cc1	13129819	ORFAYVVQGIBVHU-UHFFFAOYSA-N	453.542	5.008	10	40	JKCB	
CC(C)c1ccccc1OCCn1cccc1/C=C1\C(=N)N2C(c3ccccc3)=CSC2=NC1=O	13943938	YWQHEFBVKIOKKF-BJDNMCPZSA-N	482.609	5.995	10	40	JKCB	
COc1ccc(Cl)c2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	14186102	ILPDQYFUSKJDHT-NQCMUKECSA-N	450.760	5.955	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	15997018	NDRANGCRCSUIJM-VJGNERBWSA-N	463.533	5.108	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16007218	CCWBFFAKEAZBOD-AWCRTANDSA-N	499.541	6.142	10	40	JKCB	
CCN(CC)Cc1cc(C)c(O)c(/N=N\c2ccc(-c3ccc(N)c(OC)c3)cc2OC)c1C	17106774	TTXQYGQKRNBEHG-FLWNBWAVSA-N	462.594	6.533	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	33781877	ZQDWNOJBZYAGNN-AQQGHWPGSA-N	487.673	6.691	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)cc1C	34718674	FIJRAMAQQZYUSO-LXROFQDBSA-N	499.665	6.221	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1Cl	36589830	ZTLJQSFVFZBBPC-ILUGDOHVSA-N	489.988	5.424	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	41076250	XMYYHAGXBNCCND-NVOZUQLISA-N	473.989	5.609	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(C(C)C)cc4)c4ccccc34)C(=O)N=C2S1	41083729	FFWXZDOWLBAZMI-MNAJPBKWSA-N	470.598	6.011	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850292	XCGJLXVTXDXYBU-QLODZENZSA-N	484.980	6.115	10	40	JKCB	
CC(C)n1nc(O)c2c(-c3ccc(OCc4ccccn4)cc3)c3oc4c(O)c(O)ccc4c3nc21	95472741	KWIBEIMIAPWXGG-UHFFFAOYSA-N	482.496	5.669	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	100561437	BWWNAGPGWWNIIK-LPYMAVHISA-N	469.928	5.847	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1C(F)(F)F	222612626	GXZMLBBQNAHFAQ-ARBPTSGCSA-N	456.537	6.097	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(Cl)ccc1O	222912153	FXUKQAYMCQEVPO-GOTSBHOMSA-N	455.027	5.477	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927140	FUFNYNWAHDDNGC-BJKOFHAPSA-N	469.054	5.780	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223422346	DNSJHZXVPQENHW-RRPNLBNLSA-N	484.625	5.376	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224338094	BYBXJNNNESEKIE-VMPREFPWSA-N	495.696	6.295	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1	224603563	NTTPWHCAEVNNRD-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(=O)OC(C)C	408603479	RDYZVKQCIKWBRT-JAIQZWGSSA-N	489.640	5.153	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)cc1C	408802385	DRQUSFOEFSCTGJ-WGOQTCKBSA-N	494.522	5.841	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408806390	JBFJASLAFCJTKV-FYJGNVAPSA-N	490.943	5.293	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2F)c(Br)c1	408883444	UPASPWDKNJGTMW-UNOMPAQXSA-N	495.373	5.010	10	40	JKCB	
O=C1C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408962565	ZFJIXPCHHJBWCK-UHFFFAOYSA-N	467.594	5.425	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(C(F)(F)F)=NN1c1ccccc1	408969214	JITGKHKWGXZYTF-UNOMPAQXSA-N	491.296	6.921	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)c(C)c1	409148819	SEEAGTXACDNDDJ-ZHZULCJRSA-N	479.026	5.939	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	409339096	RTKMEMJIDFBXGJ-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1	409341975	AWUKWHHVJJWTHV-UNOMPAQXSA-N	478.433	6.041	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	409343449	HDQCNVJTNPCSBM-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1	924815	NXYPSGZTQZFZCO-SFHVURJKSA-N	457.983	5.122	10	40	JKCB	
Cc1cccc(Nc2cc(N(C)[C@H](C)[C@H](O)c3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1	2139587	JTGFXCHRWZVSET-XBBWARJSSA-N	489.575	6.650	10	40	JKCB	biogenic
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	8821497	OVXPLIMMXLMIFJ-UDWIEESQSA-N	450.497	5.463	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(Cl)c(C)c1	8958854	IUOIFXHDAUEDOX-XQNSMLJCSA-N	476.960	5.921	10	40	JKCB	
COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1	9057082	DAUVMVGPYHRNOL-ULJHMMPZSA-N	477.607	5.867	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	9113257	NXTKXKFUTXFHKI-IOPUFQEFSA-N	492.601	5.271	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(C)cc1	9188364	ZHYUONPDIALNQS-XYGWBWBKSA-N	490.650	6.054	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	13170759	GWDGKXISVGYIAK-HHTSZTKCSA-N	493.419	6.705	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Br)cc2/C=C2\SC(=S)N(C)C2=O)cc1	13940427	CWBMSWRUBQUYKF-PDGQHHTCSA-N	464.406	5.046	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)cc1	16678567	SDWJTPGZUWMWOP-UHFFFAOYSA-N	465.553	6.512	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1	16678588	PEARCJHMZBGOPB-UHFFFAOYSA-N	454.357	6.900	10	40	JKCB	
CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc12	19793135	AGFUVTRSLNECSB-UHFFFAOYSA-N	491.550	7.329	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Cl	28580695	LRNBQBZDXNAGCQ-JLPGSUDCSA-N	482.971	6.398	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1	33655627	SOJOFJSJIWNJAB-BPOWYZMYSA-N	457.534	5.209	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccccc1	33680664	PSUMHOYLOZZOBC-CCHDUMJESA-N	459.962	5.415	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C	41082551	OTNNPHJCAMGIGU-MFTSTXPMSA-N	495.963	5.264	10	40	JKCB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847591	MMJZHMWQHLVDQY-YZUZCNPQSA-N	481.961	5.876	10	40	JKCB	
O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58848289	ZVNPSKRPWJTVQW-GLDPYIMESA-N	499.405	6.216	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)c(Cl)cc1OC	103919218	BXKGYYVQGCAUDK-BKUYFWCQSA-N	470.982	5.856	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208253687	GCDQFNNVHYVMMI-YYLUKMIBSA-N	458.986	6.438	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223975667	NRAQXEYLHZKBSN-SXOMAYOGSA-N	497.624	5.330	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224535659	SITHMRFLXFJOPQ-IAPPQJPRSA-N	482.653	6.292	10	40	JKCB	
CCOc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	408736656	ZCUNZSVGGRNBCV-VHSZZVNMSA-N	476.960	7.052	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccc(Br)cc2)C1=O	408754892	OYBPEIJZYKZYID-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c1	408758808	RMHTWNCQHMKTEQ-WSDLNYQXSA-N	463.990	5.196	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Br)c2)cc1	408759071	XIAZNLCYVALVGW-FYJGNVAPSA-N	462.303	5.500	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1C	408852718	HSWCWOXDIMNMBS-VEILYXNESA-N	489.575	6.044	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl	408874633	CUQWIOHPRBRRAG-XSFVSMFZSA-N	451.309	5.251	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	408888449	ZXGNZXXAIJPRMC-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
CCCN1C(=O)/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)SC1=S	409348967	TXODFRFZCKURGA-YVLHZVERSA-N	459.955	5.826	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S	409371421	FMJLEBVZIBFKOM-VGOFMYFVSA-N	493.224	6.238	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S	1805144	WZGLGUGTQWIPDE-XLXASQRYSA-N	455.944	5.627	10	40	JKCB	
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3ccc(C)cc32)S1	1829371	RDYKQKGDIBFMDZ-CLCOLTQESA-N	481.664	6.200	10	40	JKCB	
CCOC(=O)[C@@H]1CCCN(c2cc(Nc3cccc(C)c3)c3c4c(onc24)-c2ccccc2C3=O)C1	2278984	YRODFAULTZVUJP-GOSISDBHSA-N	481.552	5.871	10	40	JKCB	
Cc1cc2c(n1-c1ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc1)CC(C)(C)CC2=O	2561848	YRPWQESQDLYORJ-UHFFFAOYSA-N	471.479	6.483	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	2629132	LKMIAQXSUMBWRA-UHFFFAOYSA-N	497.982	5.426	10	40	JKCB	
CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N(C)C1=O	6136033	RLQYBRQJUPBGMB-UHFFFAOYSA-N	495.966	5.899	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	8819764	NZZOLEXDVFCUJB-MOSHPQCFSA-N	493.481	6.702	10	40	JKCB	
COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)c2ccc(C)cc2)cc1OC	9281309	RRCIRSJIORLBHJ-NRFANRHFSA-N	450.922	5.363	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9291852	GRJXJJGFCRTNLY-KAGZEXGGSA-N	457.534	5.209	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	9309506	LKUUADFGIVRFGI-NWECJKKASA-N	458.012	5.386	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1Cl	9309693	NTXNNBIQQWJQQE-MYUIGVTMSA-N	491.979	5.863	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1	9730939	LCSLBTCHISDRCB-ZJRBDENDSA-N	476.602	5.427	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)N1CCN(C)CC1)c(O)c1ccccc12	23292220	WEMYAQHQZMANBN-VWLOTQADSA-N	458.558	5.114	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1C	33532146	CJTLEWYOEWVWGY-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1	35039026	DTIRYTCQIZCPEV-CAPFRKAQSA-N	465.637	5.501	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)c2C)c1	59198354	ZTLZBHZQVSWFAV-CIAFOILYSA-N	478.346	5.672	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(c2ccccc2)=NN1c1ccccc1	103754858	XQXWDJWLBUXLKN-LGUFXXKBSA-N	464.952	6.754	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223383314	QMKZXWMSGNNHIQ-VSGBNLITSA-N	466.654	6.224	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223879977	AOAPEVGBJNEGGR-IZZNHLLZSA-N	498.608	5.158	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224015837	ZKAZHKXYWPLCBS-KAYWLYCHSA-N	498.608	5.404	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224021078	NOXLSRPCRQTLLK-UIOOFZCWSA-N	483.597	5.098	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224167635	JLDZCKQBMNVBMU-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)c1	224533436	CLXZZYJYOMCHQU-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1F	224602382	PSMLQJXJYFAQLK-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)cc1OC	408758965	VQAZVKFMTQPDHI-CPNJWEJPSA-N	492.959	6.546	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2Cl)c1	408868036	LDZUKGXBTWSTQU-OEAKJJBVSA-N	472.972	5.831	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1C	408968878	ZVTPYGDRAOLXJM-MYYYXRDXSA-N	487.625	5.948	10	40	JKCB	
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O	409140648	LBIZTTLQCOKUIL-ONDHQXCVSA-N	461.008	5.372	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(C)cc1	409352035	VTCIKNQZQJADKO-ZVHZXABRSA-N	493.675	6.710	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)c(C)c1	409352663	YGOQRHHDOOHTKZ-WPWMEQJKSA-N	481.642	7.441	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	409367456	AFLOKJRBZPPHTN-AUWJEWJLSA-N	476.769	5.724	10	40	JKCB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1	2483082	MKHLHZXTUGWPHE-YZUZCNPQSA-N	480.973	5.666	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)cc3)C(=O)N=C2S1	8453067	ZCUQTIBULDYJQG-YBEBRXSRSA-N	490.629	6.077	10	40	JKCB	
C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	8684863	SHTMSUXQCFNLKV-AWEZNQCLSA-N	492.626	5.177	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccccc1C	8722647	RJYPYULVXKOQNH-XQNSMLJCSA-N	469.541	5.217	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	9193721	BROVHMMMYDBYOM-QNCHGFICSA-N	468.026	6.111	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)cc1C	9232245	FHAVCVVPEGTRMQ-OEAKJJBVSA-N	466.027	6.942	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1	9763006	NNFPEVRAAXGHPJ-GHRIWEEISA-N	469.349	5.811	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(Br)cc1/C=C1/SC(=S)N(C)C1=O	13942990	XRRFGTSCFNXAIC-LDADJPATSA-N	464.406	5.046	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S	16729166	YHDNBHBFQHAPDD-JCMHNJIXSA-N	481.618	6.078	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(Cl)cc12)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288140	POZRVMIRCVZJSF-UQQQWYQISA-N	472.951	5.818	10	40	JKCB	
CCN(CC)c1ccc(/C=C\C2=NN(c3ccccc3)[C@@H](c3ccc(N(CC)CC)cc3)C2)cc1	25782330	BZKRKPGZABEOSM-SWRDKRFDSA-N	466.673	7.400	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OCc4ccccc4)S3)CC2)cc1	27515403	UKUXRAWBFAOETP-LGUFXXKBSA-N	469.610	5.367	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1OC(=O)c1ccco1	66307816	OXRYURGLEODUOD-WJDWOHSUSA-N	490.821	5.509	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	106758920	HLLGEGVQXDDOBS-JCMHNJIXSA-N	452.963	5.863	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223429114	CVXDFNRAJJBZHL-SXOMAYOGSA-N	483.641	5.374	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1	224402061	APDWWOICPLDONV-LOSJGSFVSA-N	486.572	5.504	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)N21	260756113	DJGKBUKACJTHEK-AVIJNYRZSA-N	453.055	6.346	10	40	JKCB	
COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	408577633	UCASTDGVHULZNG-HAHDFKILSA-N	490.606	5.114	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)cc1	408798517	FUWSKHUHGCFEHF-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1Cl	408835090	WAQWGKVEFVCDMR-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(OCC)cc3)C2=O)cc1	408842479	OCCBEPWFMBWHSD-JJIBRWJFSA-N	491.385	6.081	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1	408892337	YRYVVLWOEHPZAO-FYJGNVAPSA-N	478.907	5.287	10	40	JKCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1C(C)C	409103515	CAIRSMINRAFXTO-LDADJPATSA-N	456.995	5.310	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)o2)cc1	409334811	XSNMKDZRSFITPA-XQNSMLJCSA-N	493.606	6.318	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S	409372623	NQLHEZOZUSAIEE-VGOFMYFVSA-N	458.779	5.585	10	40	JKCB	
Cc1ccc2cc(CN(Cc3ccc(Cl)cc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1	920017	XOKOPFJHRQAXOR-UHFFFAOYSA-N	451.979	5.160	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)ccc3OC)SC2=S)cc1	2302871	FPDWRRDHORYKAI-BOPFTXTBSA-N	450.379	5.262	10	40	JKCB	
COc1cc2c(cc1NC(=O)COC(=O)c1cc(C)n(-c3ccccc3)c1C)oc1ccccc12	3322520	SWEFEHUACPUXLB-UHFFFAOYSA-N	468.509	5.798	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	8818972	CWRAKNDVGNHLQM-FSEGOYHTSA-N	488.439	5.661	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(Cl)c4)C(=O)c4ccccc43)c2C)c1	12547094	AHMADGXYOVZACG-YUMHPJSZSA-N	466.968	6.784	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)o1	16347959	RSKYNMVSKUVLJA-JAIQZWGSSA-N	453.903	5.843	10	40	JKCB	
CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)c1	16678640	ILSNQHMUQZYTMH-UHFFFAOYSA-N	488.613	5.867	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S	16729719	QOGRPJRFQBWYPW-NDENLUEZSA-N	476.652	6.006	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1	20324536	BFEYJQUOVSJCLO-MOSHPQCFSA-N	466.946	6.294	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	33374954	GDXDDFPKXRNZJZ-XDWJAMLSSA-N	471.561	5.463	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	33457867	CQOIOJFMWHNHHJ-XRRPQMRDSA-N	480.018	5.671	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c(C)c1	208238942	YJGAJWAXABNBKQ-ZVCOJXFSSA-N	482.049	5.510	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	208254517	JOZRXBKELMJQGU-LKEIMFIWSA-N	485.993	6.207	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)c(C)c1	208731600	DQUINFJWSITKLV-JAIQZWGSSA-N	470.959	6.531	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224201603	SQQHYWHKYRUVFL-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1F	224900424	VXKXDPGXCTZUEY-IZZNHLLZSA-N	472.589	5.819	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1F	224904711	GCDOATFWECGTAW-RPBOFIJWSA-N	471.605	5.817	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225342846	NNPFVMODZXXREF-URLMMPGGSA-N	496.680	6.762	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408751890	DMAONOGHLDGHGW-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(C)c1	408803232	MSZDRZHRIBYJMY-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1	408815713	UDVCGNHQKPIRSM-HZHRSRAPSA-N	482.923	5.739	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F	408878667	BGDSULXGDNFDMC-XDHOZWIPSA-N	485.298	5.378	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C	408964211	CAEOXXOUIAUHFP-PXLXIMEGSA-N	457.599	5.105	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1	408971899	LPGXLEROALKWNR-ZHZULCJRSA-N	456.851	6.268	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1	408983289	AKRSGIKLUVDXDQ-QGOAFFKASA-N	470.783	7.517	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c(C)c1	409128113	HMEVRZKPTNGIJP-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)NC2=S)cc1	409145066	PUYPXJPZYCJACS-USHMODERSA-N	499.680	6.803	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc2ccccc12	409217262	UEVCTQHMAAIHMD-ZVHZXABRSA-N	458.970	7.142	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1	2361879	ZITGYYVTLXSHOW-MOSHPQCFSA-N	475.513	6.770	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	2626756	DVBBFPXHPPGWEL-PWECECGKSA-N	490.431	5.720	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2	2637739	CWPNLCHZXRKFMP-UHFFFAOYSA-N	481.719	5.218	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1OC	6176980	VVMZJLWTGKRRJZ-YYULODDRSA-N	480.561	5.470	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(-c2ccccc2)cc1	8820440	CVHZCYLOLGXZDN-OBJYXWAWSA-N	470.619	6.140	10	40	JKCB	
CN(C)C(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1	9126765	XYJHUYJPUMBUAG-UHFFFAOYSA-N	488.588	5.170	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	9304438	KLUMZDIXYPBDAQ-UEHPDJAPSA-N	497.580	5.288	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c(C)c1	13879978	NVUKORQUPZTYNX-WJDWOHSUSA-N	471.365	5.702	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C5CCCCC5)cc4)ccc3o2)cc1	16678561	PFVNFUXMARDYKN-UHFFFAOYSA-N	497.639	7.406	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N[C@H](C)c3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	16735104	DYUREOUUIGOPPL-FQNYJXRJSA-N	478.643	5.176	10	40	JKCB	
CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccccc3)CC2)cc1	20192100	CLOOXMGMZZPBCL-SSEXGKCCSA-N	499.743	6.965	10	40	JKCB	
COc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1	20358030	FRDKZUFHDQUGEX-UHFFFAOYSA-N	485.458	5.950	10	40	JKCB	biogenic
O=C1N=C(O)/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1c1ccc(F)cc1	59135444	VKLYQUVVUHZFKP-WGOQTCKBSA-N	489.506	6.489	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1F	59418234	AXERLTCMBITTOX-LPYMAVHISA-N	496.541	5.727	10	40	JKCB	
Cc1nc2c(c(-c3ccccc3N=O)c1C(=O)O[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C(=O)c1ccccc1-2	100926911	QCFQLASOCIGVFK-AJUUGJASSA-N	480.564	7.038	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	169683848	UIUUKNPPJKXXOP-TVZXLZGTSA-N	499.479	5.369	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1	223057187	QGCVSCXYIDFBRX-RRPNLBNLSA-N	491.705	5.344	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1	224433244	VVVSTSGLLDVSMU-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408736062	CQAWUTZQEXXYLE-CUJVHAHTSA-N	475.588	7.893	10	40	JKCB	
Cc1ccc(COc2ccc(N3C(=O)NC(=O)/C(=C\c4ccc(OC(C)C)cc4)C3=O)cc2)cc1	408821232	FAVTWVSLZZNJHU-PCLIKHOPSA-N	470.525	5.028	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1	408840787	FVVPMNCJXUHHOU-DEDYPNTBSA-N	453.723	5.643	10	40	JKCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	409050135	ZFSUTYVZJCXCIY-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1	409067094	PCLFNXCRRATMLL-HYARGMPZSA-N	478.957	5.556	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OCc1ccccc1	409238220	CVXGWQNCAQRSNR-HZHRSRAPSA-N	486.593	5.229	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)cc1	409239739	QAGZWCZVLUEWMV-YDZHTSKRSA-N	477.561	5.471	10	40	JKCB	
O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409339806	YRQMLZWYWPROPT-VCHYOVAHSA-N	496.397	5.144	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1	1197882	ICFHESQKPLRNRH-SXGWCWSVSA-N	468.369	5.007	10	40	JKCB	
CCOc1ccc2c(c1)/C(=C1/SC(C(=O)OC)=C(c3ccccc3)S1)C(=S)C(C)(C)N2	2265970	IDXAAOHBTJZSIO-NKFKGCMQSA-N	469.653	6.350	10	40	JKCB	
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3)c1ccc(O)c(O)c1	2445613	BLAZIUZIDUJLNP-UHFFFAOYSA-N	499.013	5.366	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NCc3ccccc3)nc12	2712994	DMYXWINDOYRHBJ-QNGOZBTKSA-N	490.654	5.149	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc(C)c1	2863890	CXUQYDAGZJOHDZ-UNOMPAQXSA-N	492.460	5.956	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OCc1cccc(C)c1	8495969	ZLTCCLGGQWOCBB-KBCMECHZSA-N	467.978	5.793	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	8821359	OTIGBSHUHRRSFK-JLPGSUDCSA-N	496.053	6.372	10	40	JKCB	
CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(I)c1OCC	13371350	LNLGGYOYVULKIJ-YVLHZVERSA-N	476.310	5.378	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1Cl	13749874	YODHEQSROSEJAH-XKZIYDEJSA-N	498.073	6.449	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc12	19793136	AEMXFGUCIBWUCX-UHFFFAOYSA-N	497.513	6.949	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc(OC)c(Cl)cc2OC)cc1	20289186	HZRCRNQZYZKPHO-IWIPYMOSSA-N	495.938	5.642	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C	22063370	CMQAWGZJNAXXLY-NVOZUQLISA-N	492.601	5.127	10	40	JKCB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OC	33743236	ZAAOCIQSWTUSFW-OTWJJXBCSA-N	451.375	6.262	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	34829256	QPBCMDCWIMOKPW-WSFLPQJTSA-N	489.988	5.424	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(N4CCN(c5ccccc5)CC4)=NC3=O)cc2)cc1	35623382	IMFPKMSUVSTDIG-LGUFXXKBSA-N	469.610	5.367	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Br)c1	59198333	WEFCSRHYBMDDJM-GZTJUZNOSA-N	471.694	5.869	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O	85877600	VBOAUAMOWKRVOU-UHFFFAOYSA-N	489.528	5.702	10	40	JKCB	biogenic
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C	222956857	SDCFNVALSPBHQT-PKTZIBPZSA-N	455.027	5.621	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223859830	CXSBOUWEVBWZQE-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1	224320531	PQKVNTXZPYUFHW-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224845305	BUUKKRCHVMJDOZ-UIOOFZCWSA-N	499.640	5.387	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(F)c1	224869175	JLKUYZOHKGTPAP-JWQCQUIFSA-N	493.007	6.164	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1	225043024	UUYWSSYFMZQTPY-VMPREFPWSA-N	495.696	6.272	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1	225503696	KISLUCUHDJQBNE-VSGBNLITSA-N	495.652	5.409	10	40	JKCB	
CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)sc2c1	225986025	RHLYTUJFSXYTJW-UHFFFAOYSA-N	452.023	6.800	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Br	408613923	YVMPPTSAUHKKMM-UHFFFAOYSA-N	480.767	5.143	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408760822	AFAJRDGFYFYBCB-XSFVSMFZSA-N	472.953	6.396	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3)C2=O)cc1OC	408761626	ABAPQXBTMRVIOW-LDADJPATSA-N	452.337	6.482	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)S2)cc1	408775802	SDNILIRQTLJTJF-IBYCJETLSA-N	461.587	5.043	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1	408786942	YEYPSYHBSIWMBM-XIEYBQDHSA-N	477.589	5.592	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408837369	DIJFTIFAYJAPIK-IMWIBFENSA-N	480.377	7.002	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408872272	CGJPEUUNHWNRRN-BUVRLJJBSA-N	458.945	5.522	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C	408875788	KWIVWKMZFNIRCO-XKZIYDEJSA-N	463.534	5.217	10	40	JKCB	
O=C(O)c1ccc(COc2ccc3ccccc3c2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	408902963	STGVEXYXQHDJIV-PCLIKHOPSA-N	497.597	6.523	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccccc1	408969679	RUSHQHGQZWTDAH-ZHZULCJRSA-N	452.432	5.623	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)c(C)c3)C2=O)cc1Br	408985464	MFHGNFMLDDSMKZ-XSFVSMFZSA-N	478.361	6.767	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1	409018889	YAGIAQFYERPEIB-WGOQTCKBSA-N	478.552	5.087	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409022563	BCZTUXQXUJZOAB-UQQQWYQISA-N	499.563	5.550	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409022940	ILCBGNJNUPTHMW-QNGOZBTKSA-N	473.500	5.291	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(Br)cc1	409023901	MMFUPSPKSUVRLG-YVLHZVERSA-N	466.253	5.345	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1cccc(F)c1	409078231	HCMFEDIGLKFXEK-ITYLOYPMSA-N	478.523	6.248	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	409338085	CUYYXLTWQRJUAL-WQRHYEAKSA-N	499.457	7.390	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC)c(OCC)c3)SC2=S)cc1	409343526	HNMUAIUUHALCDE-LDADJPATSA-N	494.432	5.661	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(O)=NC(=S)N1c1ccc(F)cc1	1293785	KNVQLKVPENBMKQ-MHWRWJLKSA-N	461.301	6.064	10	40	JKCB	
COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCN(c5ccc(OC)cc5)CC4)n3n2)cc1	1341296	HXJTZSHZOPDXHJ-UHFFFAOYSA-N	491.595	5.407	10	40	JKCB	
CCN1C(c2ccccc2)=C(c2ccccc2)S/C1=C\C=C1/SC(=S)N(c2ccccc2)C1=O	3146710	KOMZLILATJIPPD-KVOJEJHXSA-N	498.698	7.371	10	40	JKCB	
CCCCCOC(=O)Nc1ccc(-c2nc3c4c(ccc3s2)C(=O)c2ccccc2C4=O)cc1	3845269	FMQATVVEZYPWGL-UHFFFAOYSA-N	470.550	6.477	10	40	JKCB	biogenic
CCSc1nnc2c(n1)O[C@H](c1cc(Cl)cc(Br)c1O)Nc1ccccc1-2	8763964	NPSLUIBWTBIGJO-MRXNPFEDSA-N	465.760	5.275	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c1	8821364	SYILQZQIPVJRLG-QRVIBDJDSA-N	480.010	6.527	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)SC1=S	8870009	XBEIJJZYLGGVEC-OVCLIPMQSA-N	456.898	5.442	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	9158360	NMVUJCBDRMWBMJ-SOJZRWRVSA-N	460.390	5.820	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	9303843	ILEJVMXXCAZRCX-JZSRTLTASA-N	464.909	5.601	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2N=C3Oc4cc(N(CC)CC)ccc4C=C3c3nc4ccccc4n32)cc1	9374810	XXAWIPHALNZOOE-GDLZYMKVSA-N	491.639	6.621	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1C	9762907	SQMAOPWRFSMRFA-BKUYFWCQSA-N	455.004	6.162	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4cc(C)cc(C)c4)C(=S)N=C3O)o2)c(C)c1	13942265	IWNIHMIPYZJVBX-FYJGNVAPSA-N	474.538	5.330	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	26641638	MBUXLPNXRXKFRU-IHLSHBBNSA-N	467.337	5.921	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)c1)Nc1ccccc1	33751382	SGQBERNOCACRNV-STZFKDTASA-N	463.946	5.440	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1OC)N2	58846117	KVTOGIHJRXXSLL-TYPXCFOJSA-N	490.625	5.894	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58846233	RFQGPOQUTRSAQX-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847646	MLFNVFHVVHMRIL-HOOSLVGPSA-N	489.399	6.760	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	102330555	ZQEXFWGGECWIDK-KSDRABAPSA-N	487.662	5.708	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2	223102100	OXLAYACVKITAJO-CLJLJLNGSA-N	474.630	5.523	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	223494130	CUUUQBOZPHZWHI-QRVIBDJDSA-N	477.586	6.242	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224339868	FNRWQDKBPYSJOV-DGPALRBDSA-N	494.708	7.154	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224622926	VATRDQZMBZGDKK-IZZNHLLZSA-N	498.608	5.158	10	40	JKCB	
CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl	225656519	VFXYHUXPRHCMMX-KRWDZBQOSA-N	460.043	5.801	10	40	JKCB	
O=C(COc1ccc(/C=C2/SC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)c(Cl)c1	408554733	UNBGHOLCFIJZPE-GIDUJCDVSA-N	473.790	5.153	10	40	JKCB	
CCn1c(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)nnc1-c1ccc(Cl)cc1	408633490	NHZSXRNSENDZCH-JCMHNJIXSA-N	479.005	6.244	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1Cl	408766399	PZKHEYXUONQDTL-AQTBWJFISA-N	480.347	6.260	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	408808530	JGTZITQOUQGWKY-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1ccc(Br)cc1	408843081	QEVSMZFRSAIKSD-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(Cc2ccccc2Cl)ccc2ccccc12	408877705	TXCZBCOUSGBPHJ-JWGURIENSA-N	484.914	5.890	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)C1=O	408884939	WBUCGDZLDNKBPG-STZFKDTASA-N	474.944	5.456	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1	408947763	DBKGHSKIJLCOKB-CVKSISIWSA-N	492.575	6.081	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)ccc1Br	408983468	BYUJXIQIUYWKIZ-LDADJPATSA-N	485.208	7.536	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S	409103281	XSHXONRWYRPKIE-YBFXNURJSA-N	456.976	5.019	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C5CCCCC5)cc4)c3C)N(C)C2=S)cc1C	409135517	QBHDKQKPIRFUBF-CEUNXORHSA-N	497.708	7.363	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)CC	409205051	NRCYZKVNOXHHPR-MQMKENTISA-N	492.460	6.431	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O	409240216	KBOQIYHFPNOJHE-GHRIWEEISA-N	484.986	5.618	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409329476	GGVFRKRPYSFNBW-SXGWCWSVSA-N	488.909	5.375	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	409331759	OVJXDFLTCPLRPM-CAOOACKPSA-N	495.376	5.170	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409342453	DIMZSGBCVBXJMS-JCMHNJIXSA-N	478.551	5.458	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1OCc1ccc(Cl)cc1	409346805	OAJZTQBCJKGHER-OEAKJJBVSA-N	496.053	6.950	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)ccc1OCc1ccc(Cl)cc1	1795124	WASJRWLXGQSYGM-PJMHOZITSA-N	462.036	6.317	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCCCOc2ccc(Cl)cc2)SC1=S	2856646	ILVGKKJWPSOPGX-UYRXBGFRSA-N	478.979	5.317	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	3769031	VNXKRPCGVFZUOD-SRZZPIQSSA-N	473.953	6.603	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	8821361	GGGQJMWEPYIFGV-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2C(F)(F)F)C1=O)=C\c1ccccc1	9444420	DVOOBCNIQIQIQV-UJUKKVGJSA-N	462.518	5.492	10	40	JKCB	
Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)S2)c1	12524914	ZSYFYEFHTBMSFT-AFPJDJCSSA-N	470.425	7.100	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2C)cc1	20289132	CDMOEIDOSXBNCJ-KQWNVCNZSA-N	489.000	6.404	10	40	JKCB	
CC[n+]1c(C=C2C=C(C)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C(C)=C2)sc2ccccc21	26770996	LSCVBKFPFZEPEX-UHFFFAOYSA-N	469.634	5.718	10	40	JKCB	
Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)c1	30855949	CCMJRZLODITLKW-ZLLSNJOHSA-N	475.618	5.383	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58846809	HBLOMNGDLYAQHS-BXTSTYNKSA-N	474.626	6.446	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)o1	59198307	VRMQGEBPWREMQU-WQRHYEAKSA-N	496.273	5.432	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1	223496763	LAUSHCREUWONFL-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223879858	AOAPEVGBJNEGGR-CLJLJLNGSA-N	498.608	5.158	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc2ccccc12	224162687	WZIUZNBXOGXJKC-URLMMPGGSA-N	474.633	6.819	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224235505	JUPDEJIOVMSORI-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224337865	NLGPJXCLPYRKRL-KAYWLYCHSA-N	496.636	5.927	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224436442	CMYLKXMXCFAWRK-VPUSJEBWSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1F	224904675	GCDOATFWECGTAW-JWQCQUIFSA-N	471.605	5.817	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1	225343094	OJYMLZPKJFTYKC-FQLXRVMXSA-N	496.680	6.762	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	408538329	LCOLAYOUIMNBSH-GZTJUZNOSA-N	479.335	5.758	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1OC	408756562	STRDHWVVLLMWIN-CPNJWEJPSA-N	490.968	6.112	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Cl	409040176	FTYKNEXZQNKQGN-XYOKQWHBSA-N	453.709	5.102	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O	409143555	HCPMNVVOYDHIGP-HMAPJEAMSA-N	497.041	6.137	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O	409227045	OKCWAUBFFVQSLQ-YIRPMMGJSA-N	479.001	5.810	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	409338052	CCNHEHXLLJLEKJ-ODLFYWEKSA-N	472.931	5.923	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C	409339088	RSASMAXZEJZUSL-NDENLUEZSA-N	491.034	5.320	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409362719	GGAHYRFJYROEJB-WSDLNYQXSA-N	494.956	5.365	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@H]43)c(O)c(Cl)cc2c2c1CCCC2	526052629	XZXGUROTISUQQY-GZLQHJCCSA-N	495.063	5.426	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)cc1	2298286	GONPOPZQDVGEFS-YZSQISJMSA-N	485.653	5.885	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1C	2863932	LXEYFUFWVCWTTL-UNOMPAQXSA-N	492.460	5.956	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)ccc1OCc1ccccc1	6821603	CCZUGABTAPQABJ-LPYMAVHISA-N	477.358	5.843	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	8820421	NNJCWXXSTJKNLJ-DFBITEFZSA-N	496.963	6.145	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(O)=NC2=S)cc1	9934878	YVHAAOOPYWHJAT-BUVRLJJBSA-N	481.577	5.678	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c1	13165620	YPUFUXJLKBNUOP-MNAJPBKWSA-N	452.583	6.015	10	40	JKCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl	32111802	HKJDSPJRTLUHBX-VCHYOVAHSA-N	465.358	5.078	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	32124554	YDCSOAVHHWXLEU-PKAZHMFMSA-N	468.597	6.287	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(C)cc1	40007091	JNGKBUFQAHYILU-RRAHZORUSA-N	488.587	6.807	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)c1	58846684	JXTBVQBHIIHHAG-PPJWLVRDSA-N	474.582	5.629	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)cc1	58848492	DAMTZDHRZFELCI-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)c(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1	58851393	FDAJKUBSMDMPFD-RNHFSVANSA-N	470.827	8.361	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccccc1Cl	408572411	GUBCYMUWOINNOD-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(OC)cc2)cc1	408760592	BIMAYCYZHPYSNQ-LPYMAVHISA-N	453.325	5.845	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	408899664	PSWZZEDDABRSHD-JLPGSUDCSA-N	490.943	5.374	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1	408971421	OGGVXBZWFHWXMK-WJDWOHSUSA-N	451.231	6.602	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1	408984939	UMSDLDUJKNOYEV-STZFKDTASA-N	490.943	5.156	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409015797	BICNXRSVLJJTCL-IMRQLAEWSA-N	498.623	6.377	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409068235	KSTCIHDZWYSOHA-XYGWBWBKSA-N	474.988	6.323	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	409172457	IQSLXQXZSCHKQX-YBFXNURJSA-N	473.934	5.932	10	40	JKCB	
O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1	409330841	ACVJHVWXCZTUMG-UHFFFAOYSA-N	494.510	5.771	10	40	JKCB	
O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12	713053	YGOHLBPJXLJAON-KOEQRZSOSA-N	487.584	5.674	10	40	JKCB	biogenic
CCOC(=O)C1=NN(c2ccccc2)C2=NC3=C(CCc4ccccc43)[C@H](c3ccc(N(C)C)cc3)N12	2181127	LFUGEEUWVQPFHA-MHZLTWQESA-N	491.595	5.220	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4o3)c(O)c3ccccc23)cc1	8834638	MMFOUTMFKGWRAZ-UHFFFAOYSA-N	478.551	5.647	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1C	8872178	MCWAEAUQEWHUID-HAVVHWLPSA-N	496.404	7.797	10	40	JKCB	
C/C(=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O)c1cc(C)n(-c2ccc3ccccc3c2)c1C	9281146	LAEWTOWAQUTLQY-HRWFXYQBSA-N	495.652	6.837	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58847203	KDLMDMULHZJTJJ-SRGWNRLKSA-N	471.409	6.621	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59139020	SNKMJRCURMPLRC-OVVQPSECSA-N	491.547	5.692	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1cccc(C(F)(F)F)c1	70453914	HYTNGYAVPLWYIT-UHFFFAOYSA-N	450.460	6.982	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O	208239459	SQCXOJGGDDJZCS-ZASVFINYSA-N	450.988	5.050	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222878871	BGICOTZBAJVHQJ-FCHUYYIVSA-N	459.446	6.178	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230762	WLLMWMPEMPYWBC-FTJBHMTQSA-N	461.679	5.030	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(F)c1	223857219	XRZYIDWSEBXJCC-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224187795	NGWURNSFHQHXEG-IZZNHLLZSA-N	482.609	5.453	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1C	224269913	PGTFUGKSFORMFC-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224339338	MTOYMPZAUGKEMZ-LMSSTIIKSA-N	480.681	6.845	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1C	408573242	JJMAEUREMOGIAR-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1	408738434	XLEWDFJXXXBQBH-OQKWZONESA-N	492.487	6.113	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408756797	XLUQBYHSZAEVCV-PXLXIMEGSA-N	480.793	6.003	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	408762489	BOFNKEYJFJDUDD-GZTJUZNOSA-N	470.327	6.621	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)S1	408801810	BXBHNVWYSUFEAY-UHFFFAOYSA-N	457.406	6.472	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2Cc2ccccc2Cl)C1=O	408881846	NZOGMNCVRDGDDX-QNGOZBTKSA-N	479.363	5.813	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409019680	KDIPVIBWZOODDK-UNOMPAQXSA-N	499.369	6.417	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)SC1=S	409040836	IJYHPQPEOPKSPJ-GRSHGNNSSA-N	461.992	5.474	10	40	JKCB	
Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1	409056210	NDFGEQOSOWLKTG-GOSISDBHSA-N	482.671	6.261	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C(=O)NC2=S)cc1Cl	409232905	SUOSROIFLUQNOS-DEDYPNTBSA-N	464.974	5.420	10	40	JKCB	
CCCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21	409331826	OGSLHNUFDZJRJP-UNOMPAQXSA-N	455.992	5.251	10	40	JKCB	
COc1cc(Br)c(Br)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O	689342	ZIJOBCDNYFZJAU-AUWJEWJLSA-N	483.181	5.295	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	2180470	MBSXBJKPSHLUDN-YXZMWACZSA-N	478.430	5.731	10	40	JKCB	
CCc1cc2c(cc1-c1csc(Nc3ccccc3)[n+]1-c1ccccc1)C(C)(C)CCC2(C)C	2243780	ZMSLNGAOKMWSQA-UHFFFAOYSA-O	467.702	8.347	10	40	JKCB	
O=C1/C(=C\c2ccco2)SC(=S)N1CCCC(=O)N(Cc1ccccc1)c1ccccc1	8820344	LXFOLHLCLCKKHV-OQKWZONESA-N	462.596	5.494	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	9010042	GOCHJNQQZZMESN-JJIBRWJFSA-N	467.594	5.619	10	40	JKCB	
Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)c1	9876933	MPRQKJZXLFBLIX-UHFFFAOYSA-N	464.034	5.707	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	13602875	LYGQZKIMIOATJL-JWGURIENSA-N	461.564	5.710	10	40	JKCB	
CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O	13758676	HSCFYPJXHWGGOE-HKWRFOASSA-N	484.691	5.163	10	40	JKCB	
Cc1cc(C)cc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)c1	13810014	FNTSNJDPKWUZSD-WPRPLIHDSA-N	495.604	6.066	10	40	JKCB	
CCCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	16638957	PLCKAOFSMQLEPC-ZHZULCJRSA-N	456.340	5.125	10	40	JKCB	
CN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)SC1=S	20220039	RMBBOGQNNYRHFO-NDENLUEZSA-N	470.413	6.012	10	40	JKCB	
C#CCOc1c(Br)cc(Br)cc1/C=C1\SC(Nc2ccccc2)=NC1=O	33533385	FZGCGCNYHSSBBK-YBEGLDIGSA-N	492.192	5.306	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	33920121	RUARIKXTSXMHAS-ANYROYSUSA-N	473.989	5.723	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	34737115	SXSGVHFZQVFHQK-XRRPQMRDSA-N	478.578	5.366	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1	35128385	HYBFHSKCTJLUDB-YBEGLDIGSA-N	475.751	5.308	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1OC	58847568	MXPUHWIKCTVJLR-DFIYOIEZSA-N	497.016	5.985	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2	58849044	GWWWWFHTIRLVEH-OREGWCPLSA-N	460.599	6.021	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1F	59135053	ZYNXWSICIHGVAD-DEDYPNTBSA-N	478.451	5.449	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1	59536117	VCTNJGGHJXAYRO-DEDYPNTBSA-N	451.525	5.449	10	40	JKCB	
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)c(C)c1	102762149	CBAPORZLOWXHFY-FUPPJEDESA-N	483.351	5.367	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1C1CCCCC1	208651542	KCXJXCRNBXMWLE-BKUYFWCQSA-N	462.011	6.592	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222925743	FSCADFKNRZENDN-RPWUZVMVSA-N	453.055	6.079	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21	223519598	IMFXQWOJNXZLSM-OYKKKHCWSA-N	489.641	6.080	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O	224394039	MMSOYTQBUBPDHQ-RPBOFIJWSA-N	493.007	6.164	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	224464791	DBZUQEQQZBLDNB-JWQCQUIFSA-N	493.463	6.973	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260918069	KXOIFSWVHFPMMS-BTZRARBUSA-N	481.065	5.602	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	408803723	SPNVSRWOZMILLF-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1	408868630	ALUPUSLJAHKZOL-YZSQISJMSA-N	482.580	5.522	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(I)cc1	408904620	MGYQCBBXZXIOMN-PXLXIMEGSA-N	494.332	5.676	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C(C(F)(F)F)=NN1c1ccccc1	408973022	RKMCAXUUXPIJBC-QINSGFPZSA-N	454.433	5.656	10	40	JKCB	
CC[C@@H](C)Oc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409040210	HMKYRYLUHRNGHT-PGEKAQRJSA-N	458.814	6.019	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Cl	409067907	DRGHAUDBFRLBJJ-XBUHWIKASA-N	463.386	5.310	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	409072476	SDLBKJOXQVSYNN-OGLMXYFKSA-N	495.554	5.905	10	40	JKCB	
Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(I)cc1	409099424	SHYXZMLGNCZEOC-NDENLUEZSA-N	472.351	5.784	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccc(Br)cc23)SC1=S	409133280	PUUNSKMRYQGBGE-ODLFYWEKSA-N	473.417	5.314	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(CC)C2=O)ccc1OCc1ccc2ccccc2c1	409144218	JHOUBKCDLJJGEG-QHCPKHFHSA-N	451.613	5.609	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)ccc1OCc1ccccc1F	409162648	YDQLDRYFMDSZMQ-QHCPKHFHSA-N	473.635	5.765	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC1=S	409203312	WIZYZPYPIXWDST-YUMHPJSZSA-N	493.657	6.799	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C	409250274	QHCMRHAJSLZVQA-HZHRSRAPSA-N	471.626	5.413	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br	409345120	JTWZEHRIETWKCP-MFOYZWKCSA-N	486.815	6.436	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(F)F	409356316	GEXYXSIUXASHHF-DHDCSXOGSA-N	472.332	5.465	10	40	JKCB	
COCCN(Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O)C[C@@H]1CCCN2CCCC[C@H]12	524729137	FPPWLCDIWXKRTR-WNCULLNHSA-N	490.644	5.187	10	40	JKCB	biogenic
CCc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	1218089	LNQFMNBLXLKCJQ-PDGQHHTCSA-N	464.534	5.498	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC(=S)N1c1ccc(F)cc1	1257897	MSOQUYKKFYACCN-GDNBJRDFSA-N	461.301	6.064	10	40	JKCB	
Cc1cccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(Cl)cc2)c1	1279510	DXSWZBVBGIEOHE-UHFFFAOYSA-N	451.935	5.282	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1Cl	1795110	MKQOAJWCATZKQU-PJMHOZITSA-N	462.036	6.317	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	2381906	NFNCRYJJVRVYMC-ZPWPBLDLSA-N	496.009	5.946	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	2447119	CHRGOZMUFAEYQE-ISJGIBHGSA-N	471.915	5.502	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1	3279200	PKFPBQLUOCAMGK-UHFFFAOYSA-N	495.200	6.132	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2c(F)cccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3372984	QUGJUYXITFOXCQ-UHFFFAOYSA-N	465.855	5.457	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c2ccccc21	12285435	YFGJFELUKRGWMS-CQKUFZHESA-N	474.589	6.302	10	40	JKCB	
Cc1cc(C)cc(OCCOc2cccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)c1	13940068	MUSWZTWEHJLEJQ-TUKHXMGSSA-N	462.575	5.036	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc5ccccc5c4)ccc3o2)cc1	16678636	DQWUZKDQWDZXDB-UHFFFAOYSA-N	494.620	6.621	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S	16729186	RUOIYHVUBZKCKZ-KQWNVCNZSA-N	495.645	6.469	10	40	JKCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	20286516	WSELNBIEQYWFGS-JLPGSUDCSA-N	495.633	6.990	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1/N=N/c1c(Nc2ccccc2)ccc2cc(S(=O)(=O)O)cc(O)c12	25694391	ZKKXWYBZRLNAQS-OCEACIFDSA-N	494.485	5.868	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	33768007	SVZDMYAHTSHLHN-YVLHZVERSA-N	457.288	5.173	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58845977	QWVOKJMVRZHKIX-XXAUWVGASA-N	476.598	5.640	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2C)ccc1Br	106689040	BBMPWSYUYJGBOX-XKZIYDEJSA-N	481.415	6.402	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2C(C)=CC1(C)C	208514323	DQACGPLVMJFXTG-WOJGMQOQSA-N	484.383	5.682	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C	223419845	KLTNPNYYHZOQKU-FQLXRVMXSA-N	496.680	6.233	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21	223490172	NVDHVGJNDFUYPA-CPNJWEJPSA-N	463.578	5.067	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	223726301	KRQKEOOLHYIDDH-CLJLJLNGSA-N	476.646	5.032	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224371277	WWCRIIJDHBESRP-PQHLKRTFSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225503329	QJCBRWIVYPPVCP-SVBPBHIXSA-N	481.625	5.100	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2	225633052	VAVYKRZJAZHPON-FTDAXETJSA-N	459.608	5.071	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2c1	408775609	QMOMEETWOUMUCO-CPNJWEJPSA-N	499.350	5.610	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408795537	CIULKPUGZVZOIE-CPNJWEJPSA-N	467.308	5.239	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1	408840014	AFYKBPUUPIHIOU-LFVJCYFKSA-N	471.329	6.576	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1	408890498	URWWKMNBDANBGF-LFVJCYFKSA-N	454.526	5.111	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C)c2)c(Br)c1	408902226	MGLMLHVBVWPZFY-HYARGMPZSA-N	461.359	6.143	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1	409211646	MKNQTYWMGCWSSJ-MOSHPQCFSA-N	478.555	5.254	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409222549	DVAGAOFKHUPIBC-JJFYIABZSA-N	485.392	6.320	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC	409327925	NQHLDTFBOHEGMK-UNOMPAQXSA-N	492.460	6.269	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409346444	KQCZIFYPCBPLMK-JWGURIENSA-N	478.551	5.458	10	40	JKCB	
CCCCN[C@H](c1ccc(N(CC)CC)cc1)C(Br)(Br)Br	1662454	JHZXOFMKKFEOIR-OAHLLOKOSA-N	485.102	5.802	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)SC1=S	2847977	WLNRMSNEZARKMG-PXNMLYILSA-N	489.243	6.166	10	40	JKCB	
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cc(C)n(-c3ccc(C)cc3)c1C)CCCC2	13141650	YXDQVIALLHDFJH-UHFFFAOYSA-N	464.587	5.341	10	40	JKCB	
Cc1cccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1	26676014	FAARHQVAZHRBQM-WQRHYEAKSA-N	468.427	5.981	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1	32124974	XYXWLLMUXWZVEF-FYJGNVAPSA-N	499.038	6.801	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cccc(OCCCOc4ccccc4OC)c3)C(=O)N=C2S1	33446769	MTBCSFNLMUAWJW-CSXYHWOUSA-N	492.601	5.352	10	40	JKCB	
C[C@@H](Oc1ccc(/C=C2/SC(Nc3ccc(Br)cc3Cl)=NC2=O)cc1)C(=O)O	33730277	ZOTWCBXSOMULFN-LYQMGENXSA-N	481.755	5.037	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1	59198240	KKAQERUYNIBAFY-WOJGMQOQSA-N	495.285	5.222	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(OC(=O)C3[C@H]4CCCC[C@H]34)ccc(OC(=O)C3[C@H]4CCCC[C@H]34)c21	100499938	FUPVOQPJVDTFCY-XSLAGTTESA-N	484.548	5.145	10	40	JKCB	
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	102188036	COLJMMIPQWNMNM-HXHBTQRASA-N	489.678	6.218	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926773	RIYISQIBNHKAFP-DNQXCXABSA-N	462.619	5.124	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224401534	ORLCKLFTKQSOIJ-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c(C)c1	260918190	LFMIMTIRCCSWFZ-AVPJRLCVSA-N	474.674	5.566	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(OC)cc3)C2=O)cc1	408760970	BNIMAIVHRSEILQ-RCCKNPSSSA-N	474.969	6.406	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408767274	YTROWNUOUZDHIS-HYARGMPZSA-N	477.358	5.609	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(Br)cc2)c1	408841133	HUNKMTOHNDYLKE-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408870280	VSUKWPXSEFFFSB-STZFKDTASA-N	462.908	5.353	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21	409170609	WOSHXKOPXVWZRP-UZINWLIJSA-N	451.557	8.133	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c1	409231227	IYRDFDWQNVEVII-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	409328160	POMTXZWTOYDVEX-PXNMLYILSA-N	498.807	5.060	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O	409328399	UJUOBSHZGHTGNS-CFRMEGHHSA-N	467.700	6.697	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)o1	409350770	SLTMEFXINGQGTL-JMIUGGIZSA-N	465.508	5.088	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccc2c(c1)OCCO2	3398010	KBMIKKNTTJMWQR-HNNXBMFYSA-N	465.571	5.091	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)c1	6456242	DROHSHNWFMZXKL-LPYMAVHISA-N	463.534	5.217	10	40	JKCB	
CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccc(Cl)c(Cl)c1	8442808	USKJDBNRLJZYQR-SANMLTNESA-N	495.410	5.758	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	8856162	UTSNQXAWPBJAEQ-WQRHYEAKSA-N	476.457	6.279	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21	9291770	OZBUWUCMKVRRFD-KKUQBAQOSA-N	479.551	5.874	10	40	JKCB	
COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C(=O)OC(C)C)c(N)c23)cc1OC	12249993	MZSJBGORCCNFAM-UHFFFAOYSA-N	462.571	6.103	10	40	JKCB	
Cc1ccc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1	13025255	UQEPHELIAONJHY-AREMUKBSSA-N	459.590	5.409	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccn4)C(=O)c4ccccc43)c2C)cc1C	13039433	IVFIZZGQQOKHCB-QRQIAZFYSA-N	461.565	5.829	10	40	JKCB	
CC(C)c1ccccc1OCCn1cccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	13749108	LRHSHLBLYMGDSI-CJLVFECKSA-N	461.493	5.336	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)o2)cc1	13768795	GAKNPUYDCTUVEV-VZKFJVGXSA-N	493.013	6.254	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3Cl)C2=O)cc1Br	15162829	HAYKVZOSIOBHRO-QGOAFFKASA-N	466.762	6.582	10	40	JKCB	
CCOC(=O)[C@@H]1[C@@H](c2ccccc2OCC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16007430	SUMXYCURLOGNBG-VJGNERBWSA-N	493.559	5.082	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S	32124754	ZINDQDJXKFZLIV-GZTJUZNOSA-N	450.994	6.011	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc([C@H](C)CC)cc4)c4ccccc34)C(=O)N=C2S1	33148380	HBNCZHPKTFLXQS-RILGGTBASA-N	499.640	6.263	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	40567536	CWRAKNDVGNHLQM-SLVCOGOPSA-N	488.439	5.661	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccc(N(C)C)cc1	58196745	RTMWLRNPARRNFB-SANMLTNESA-N	464.569	5.267	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58848104	RBIFWVDJGTZTOL-BPYKYCOYSA-N	450.991	6.276	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1	58849995	ZGBIVSNONUWAEQ-SGIRGMQISA-N	477.542	5.231	10	40	JKCB	
CC(C)CN(CC(C)C)c1ccc([C@H](Nc2ccccn2)n2nnc3ccccc32)cc1[N+](=O)[O-]	59488683	BKLAKHJEMKAFCU-AREMUKBSSA-N	473.581	5.512	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2Nc3cc(C(=O)c4ccccc4)ccc3N=C3CC(C)(C)CC(O)=C32)cc1	102873214	RTMWVXZCDDNYQU-PMERELPUSA-N	493.651	7.635	10	40	JKCB	
O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(c1ccccc1)c1ccccc1)N2	103020706	DRIKHERJCMUCBX-MVOZIGHISA-N	452.554	5.177	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	111674800	VXFUHZZLOASHRN-OEAKJJBVSA-N	486.915	5.657	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313853	KXOIFSWVHFPMMS-QTLGCAHFSA-N	481.065	5.602	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O	223566752	GJVRQURIRXZMKH-QCYAWUEASA-N	491.657	6.171	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223759054	WZLHOLLTKVZVIW-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223799248	ZNLYQPDEZVVQGF-NSOVKSMOSA-N	498.652	6.074	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224335909	CMRKNYACTIRVAE-SXOMAYOGSA-N	487.072	6.882	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1	224402287	CYHLMMMZGJABEC-SVBPBHIXSA-N	485.632	5.871	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1C	408571832	CSOHHFHRVKEYTD-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	408643158	OYLZCUOFUHVVHA-LJQANCHMSA-N	456.929	6.277	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1C	408803342	NUEJMKKMNNBTPQ-YDZHTSKRSA-N	474.944	5.511	10	40	JKCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(Cc2ccccc2Cl)ccc2ccccc12	408876619	QMZAHFYAXQWXMR-LFVJCYFKSA-N	482.923	5.456	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409060520	WYGWTVHEDSXWDF-BWAHOGKJSA-N	454.570	5.318	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409128601	SHVBHQMQTSSLDY-BWAHOGKJSA-N	495.714	5.712	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl	409203489	YGCHOODIWSVUEE-BKUYFWCQSA-N	499.997	6.191	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409367760	FKXGAMSKQYPKCA-WOJGMQOQSA-N	495.457	5.778	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC	409373942	VUWXFLLFKCQKGP-RQZCQDPDSA-N	498.413	5.339	10	40	JKCB	
COCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)c(OC)c2)SC1=S	2444593	PJFNQFZFSSTQBF-KGENOOAVSA-N	497.594	5.207	10	40	JKCB	
CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccccc1	3279955	LYVIUXVXAYENKM-MHZLTWQESA-N	468.553	6.030	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O)=C\c1ccccc1	8820570	MVJMUAHHNQKFAX-WMSRHXMQSA-N	498.673	6.920	10	40	JKCB	
Cc1ccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2F)cc1Cl	9369252	CZLGGMOYTBHYHO-UCQKPKSFSA-N	451.929	5.263	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccccc1Cl	9425472	HKJDSPJRTLUHBX-ZDLGFXPLSA-N	465.358	5.078	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C1c1ccccc1	9934554	FHDQZSZYEDOWPS-HMMYKYKNSA-N	472.371	8.033	10	40	JKCB	
Cc1cc2occ(CC(=O)OCC(=O)c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)c2cc1C	13148972	HSNARZJVZSGCHC-UHFFFAOYSA-N	459.498	5.154	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S	16732642	PMSSTMANTQJJHW-STZFKDTASA-N	484.046	6.203	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1	26967928	NJDQDYOOUAHSFH-JWGURIENSA-N	479.627	5.176	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113834837	BMRNTJCZSSHTFE-MFKUBSTISA-N	498.585	6.733	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Br)cc1	222921165	NIZNQZTWOJVANA-XZOQPEGZSA-N	483.479	5.880	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223464990	CQRPZYPHHUEIDL-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	224193705	AUISFZAQLRHIFN-FTJBHMTQSA-N	489.088	6.852	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224235232	QPAANWBXRIZQTE-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224266207	DKGAFOVPFVCXCC-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C	224271574	WSSGDDACVZYMPU-PXJZQJOASA-N	480.681	6.900	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404723	UOAPKXLIYMFIGA-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Cl	224432904	JVUOZTIJOKQRJD-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224434529	MYMPKPZFOBSFCU-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)SC2=S)cc1	408575993	PWUKQTABVOMXFS-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)c1	408740459	KVNJZIGTRRYAHC-IMRQLAEWSA-N	475.548	5.736	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(C)c3)C2=O)cc1	408752265	HFKGAMJNDLHAGE-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1OC	408763843	PEUBXMTYWZSNSG-XSFVSMFZSA-N	463.331	5.301	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408876050	MIUFHRDTBASSJT-LPYMAVHISA-N	492.934	5.443	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408880381	IRFKSHVRIFPQDV-FYJGNVAPSA-N	469.299	5.390	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccccc1Cl	408918285	IKAITITUEQJEQD-CIAFOILYSA-N	467.934	5.892	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccccc2Br)cc1	408993667	DXXMSHUXDQJXBD-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408996804	JZMIEBQALBXGBA-UHFFFAOYSA-N	484.512	5.024	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409010783	LHJCNHQGJAKNIE-ITYLOYPMSA-N	468.597	5.626	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)c1	409016579	DRSUAPOJGUFWCI-JAIQZWGSSA-N	498.435	5.849	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cccc3ccccc23)c1C	409035623	QKSDSYCHHKYTRY-XDHOZWIPSA-N	495.451	6.749	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409091258	OXWQTGANJHGISY-LELXDKESSA-N	463.983	5.438	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409190851	WWLWOCTXJFSLTQ-HYARGMPZSA-N	452.963	6.387	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409191715	LJGFTSYASGNIJK-HYARGMPZSA-N	451.979	6.054	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)o2)ccc1Cl	409216195	IPONEFVTNXTWEK-XKZIYDEJSA-N	498.025	6.799	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	409248073	JVGSVURTYVDGRM-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409331693	OZXVUDMVLWYLLX-MOSHPQCFSA-N	479.539	5.505	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409335753	ZFKTUKXMGWZYTF-JWGURIENSA-N	478.551	5.458	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(c2ccccc2)C1=S	2122205	URSPHIJEMUNISG-RGEXLXHISA-N	494.956	5.252	10	40	JKCB	
Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O	8400795	BMMSPUMRRSTEPL-PXLXIMEGSA-N	463.603	5.277	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5c(C)cccc5C)c4C)C(=O)N=C3S2)c1	9158157	STIUBZAMTZPNQU-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	9635944	JPCANPXZHZCGJH-QNGOZBTKSA-N	490.987	5.942	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1OC	9805183	CEJPURLKVRROJN-XXAUWVGASA-N	490.625	5.948	10	40	JKCB	
Cc1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)N(C)C3=O)cc2Cl)cc1	13894156	MGIBNIFCWDGBGI-GZTJUZNOSA-N	454.400	5.591	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N=C2SC=CN12	13943024	PGAZNPZZJUZPBZ-WVIXDYEQSA-N	464.761	6.003	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S	20324832	RUWWDVQUKWCUPN-MOSHPQCFSA-N	488.055	7.030	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Br)c2)N3)c1	58845823	YUZQNBDGTYTCHZ-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	58848894	MHBCTYVJVBNJFW-ISCCLHIJSA-N	460.599	5.939	10	40	JKCB	
Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O	102622468	QGPFSAWVISDZSY-QJOMJCCJSA-N	451.526	5.455	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927082	FUFNYNWAHDDNGC-RPWUZVMVSA-N	469.054	5.780	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104068	CMVUASYHLKGOOY-FTJBHMTQSA-N	495.092	6.456	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	223796439	JKDLILMSXDCDEO-URLMMPGGSA-N	496.680	6.627	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)O)cc1	223860645	CXHAVGGUSHDAPQ-DQEYMECFSA-N	484.581	5.070	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224300901	FFSZNVGSGLVUHX-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224308295	SYJQUSRPVFLDMH-CLJLJLNGSA-N	467.642	5.987	10	40	JKCB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)O)n[nH]2)c1	408635061	YKOHCQQRSXIUFO-QRVIBDJDSA-N	490.585	5.423	10	40	JKCB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408645092	UIMXMWVITYGDPX-FQEVSTJZSA-N	470.956	6.586	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Br)cc1	408754434	NJFJOHVGUXMNIT-KGENOOAVSA-N	461.315	5.290	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)ccc1Br	408766974	XYDNLIVYTNJBIL-DEDYPNTBSA-N	492.373	5.140	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)c1	408804985	IDBKNPFKHQMJIQ-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)c1	408814318	ZBBBAKCSLUAHKB-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
Cc1ccc(COc2ccc([C@@H]3Nc4ccc5c(c4[C@@H]4C=CC[C@@H]43)C(=O)c3ccccc3C5=O)cc2)cc1	408826292	GDHAAMFXMZBYLC-NPPPIGHJSA-N	497.594	7.176	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1	408903222	VXKYCMFIDRNORV-ZVHZXABRSA-N	487.386	7.532	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409010344	CHNCEISLESQCSB-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)NC2=S)c1	409014188	GJPSOPXRHZCSDM-RGVLZGJSSA-N	498.435	5.849	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCC(C)CC3)c12	409125328	CWYUOGMYUKDKED-XKZIYDEJSA-N	483.703	5.319	10	40	JKCB	
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409175712	ATYIECRKGIMBOR-WDZFZDKYSA-N	465.696	5.083	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1C	409223887	GJXXVUXUKVNNQW-YDZHTSKRSA-N	495.000	6.079	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C1=O	409242070	UHWGYCDXJWUBRZ-DEDYPNTBSA-N	487.918	5.457	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1	2252084	ITQIAKZNBUMMCO-LICLKQGHSA-N	461.688	5.573	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2ccc(OC(C)C)cc2)C(=O)N(c2ccccc2C)C1=S	2324081	GAHQXFXVUGPTHR-UHFFFAOYSA-N	470.594	5.839	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	2397272	XCYRDVHFYXSOEW-JCMHNJIXSA-N	484.408	6.046	10	40	JKCB	
CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O	8920850	NRJMLNGSGVPUQR-YBTHPKLGSA-N	483.461	7.129	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N=C2SC=C(c3ccccc3)N12	9066499	NKZQDPYDYKJSJT-NEAWXCLQSA-N	482.521	5.478	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4cccc5ccccc45)c4ccccc34)C2=O)cc1	9076579	ILDFCQUMNLWXOY-VEILYXNESA-N	499.570	6.072	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1	9553587	WOSLQEMQDDCOQG-BXDFRRGMSA-N	471.644	5.888	10	40	JKCB	
Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	9763102	JXGVZNLJLDBDNL-HMAPJEAMSA-N	486.014	6.101	10	40	JKCB	
COc1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	12628700	HFKMSHYBDFOSGF-UQQQWYQISA-N	491.634	5.863	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	12854581	GNNNYFFUMSZVCT-GDLZYMKVSA-N	485.653	5.381	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	13069680	ODKCLLJHNBVSMY-NPMABZOXSA-N	462.377	5.084	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c(C)n1-c1ccccc1	13129324	OCRUZQBYUQDDCS-UHFFFAOYSA-N	493.538	6.126	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1	13686666	JYWHQWHNQHFLOC-AABCQZNVSA-N	472.497	5.753	10	40	JKCB	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)c3cc(C)n(-c4ccc(C)c(C)c4)c3C)n2)n1	14357398	XLQIJCBJPHPGOX-UHFFFAOYSA-N	490.991	5.602	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(c2ccccc2)=NN1c1ccccc1	16699673	VNSZVLVKMDONQW-PLRJNAJWSA-N	472.573	6.435	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C)c(C)c2)C1=O	16740090	TUVWLCVYJMZIAM-RTMICUHXSA-N	450.629	5.870	10	40	JKCB	
Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)n2c2ccccc12	16756581	CIMMEUXRVWASGF-UHFFFAOYSA-N	494.542	6.592	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cccc5ccccc45)c(OC)c3)C(=O)N=C2S1	27839148	QEWFCNOSQVVUER-CSEHATQYSA-N	498.608	6.237	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC1=S	28363384	OOENNZREZDKUHB-UCQKPKSFSA-N	491.590	5.130	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)N=C2S1	41083510	ONCQDOAVBREFCI-ATKCCKKESA-N	488.436	5.186	10	40	JKCB	
O=C1N=C(O)/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59861380	RUQVKKKMBQDVGT-WYMPLXKRSA-N	465.553	6.142	10	40	JKCB	
O=C(O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1	85878675	IQDFJDQMFIJORQ-UHFFFAOYSA-N	487.512	5.686	10	40	JKCB	biogenic
CN(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1	101025827	KRJYEFZBUAXKED-VABKMULXSA-N	482.367	5.111	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Br)ccc1OCc1ccccc1	107825080	OPXDATXUXBGFDM-STZFKDTASA-N	465.372	6.111	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1	223332622	XIGBTSOKPVLLJX-ZEQRLZLVSA-N	496.558	6.274	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223865115	DSMYGJCDWVCVBX-JWQCQUIFSA-N	455.587	5.075	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224538063	AIJFNSUWUQMQLL-YTMVLYRLSA-N	496.680	6.546	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408587119	QKIACYUBXCTYKD-HAHDFKILSA-N	479.454	6.375	10	40	JKCB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O	408742843	QCLSSSFASCOXQF-VIZOYTHASA-N	478.136	5.427	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Br)cc1	408756668	TYVPMQCUIYADQV-FYJGNVAPSA-N	491.341	5.411	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC(C)C	408800624	OARHRMRHNUPIIY-VGOFMYFVSA-N	497.762	5.499	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)cc1	408801022	SEQKDVHDVWCTSA-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	408818504	XBZYXZWZFSAGHO-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1cccc2ccccc12	408919292	WABIIEUPWIHZQC-MFKUBSTISA-N	483.549	6.392	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc5ccccc5c4)C3=O)o2)cc1	408987013	UKMJWRIQRJXYDJ-NHFJDJAPSA-N	497.550	7.358	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)SC1=S	409005577	FYGWATOJYVPHJE-YVLHZVERSA-N	468.825	5.903	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409058281	NLUOSGUMWLBPDV-YUMHPJSZSA-N	468.597	6.205	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccccc1C(=O)O	409213940	VKRRRMQBDQIBEH-NHDPSOOVSA-N	484.936	5.821	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1	1384266	GVDXVXXCDYVFMU-UHFFFAOYSA-N	456.468	6.690	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1C1CCCCC1	2933395	FKTVRIRJYRMVAA-KGENOOAVSA-N	454.573	5.708	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)n1-c1cccc(C(F)(F)F)c1	3333227	VJKUYKGMLZDARD-UHFFFAOYSA-N	488.487	5.197	10	40	JKCB	
COc1cccc(C(=O)Oc2ccc(/N=N/c3ccc(OC(=O)c4cccc(OC)c4)cc3)cc2)c1	4017288	JKXCDCSOARAOME-QVIHXGFCSA-N	482.492	6.558	10	40	JKCB	biogenic
CCCC1=NN2C(=N)/C(=C\c3c(C)n(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	8407962	RALDTLJHEBELSZ-WOIBEVDJSA-N	485.613	5.756	10	40	JKCB	
Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1C	8857543	JICHHLJDXSBDRA-UHFFFAOYSA-N	483.589	6.797	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	8997602	FLBRPQLYTFHXPB-GLGROKONSA-N	459.497	5.388	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccccc5)cc4)S3)CC2)cc1	9188205	QXNWCMTZLIIODV-PLRJNAJWSA-N	455.583	5.155	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)c1	9463501	IRBKEDXDHXUXCH-ARJKYRGMSA-N	488.594	5.182	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1Cl	12040424	SHCDKCIEPJJLOC-MTJSOVHGSA-N	471.987	5.922	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)o1	18030894	RRJIGVFQBLMFTG-BVDVPRQSSA-N	491.916	5.484	10	40	JKCB	
Cc1cc(C(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c(C)n1-c1ccc(C(F)(F)F)cc1	22921110	SVWBUIJFEJGYRP-UHFFFAOYSA-N	489.969	5.767	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)o2)cc1	33352068	BYGRSWDZWJOAGF-LDADJPATSA-N	483.343	6.008	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	35974758	YDVDPBCNHMNVHM-VHWOOCBWSA-N	484.470	6.183	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1)Nc1ccccc1	44086366	CVFMVKSQMNJYTR-UHFFFAOYSA-N	468.409	6.636	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1Cl	58848204	NPFYRMOLLNMECK-CEYNDMKZSA-N	485.436	6.929	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2)N3)cc1	58848611	DABUYSOYINADSO-CLCZQPDDSA-N	476.598	5.721	10	40	JKCB	
O=C1/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccccc1	59514594	UXBLTQTXSHPZSC-UDWIEESQSA-N	479.495	5.701	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	144198216	LYPMSSIMKQCWHY-NLRVBDNBSA-N	450.563	7.002	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223392369	KZSPFHXPKOJEIQ-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c(C)c1	223502155	BBDJSRBVKXTQDM-XCZPVHLTSA-N	481.669	5.982	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223981592	PIXXYBUJWGAMHU-SVBPBHIXSA-N	496.640	5.328	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1	224220406	WCYOVXAUDWFGGB-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398420	MMEWNGVJQLJBRG-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224401221	HTOBRVLDXVSYPZ-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c(OC)c1	224804368	NFRXYXWYJFGWMX-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)n1-c1ccccc1	225059647	BUFMGZJMRVSHTO-SVBPBHIXSA-N	467.642	5.655	10	40	JKCB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1	408644836	HSBMKHHETBHHIK-UHFFFAOYSA-N	475.770	5.614	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C	408965008	FLOQALCACLDODW-WOJGMQOQSA-N	467.953	5.026	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)C(C(=O)OC)=C2C)cc1	408999953	WIDAJRCYUCJSDC-BWAHOGKJSA-N	469.537	5.542	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S	409030951	IPRRWONDVARCCS-GRSHGNNSSA-N	480.424	6.024	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409061434	XBRFDSRYGFJLLV-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409192851	FZSVLSUXYXIRNK-HYARGMPZSA-N	480.973	6.165	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OCC	409335087	YUZKNHQJMPCGSS-VCHYOVAHSA-N	498.851	6.306	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409338510	LDMUHBQLKPEEAU-LPYMAVHISA-N	480.567	6.276	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c1C	9282647	ZZLXZBCACZJOQF-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
Cc1cc(C)cc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	9510841	QAPBMTAIBTWBJQ-BWAHOGKJSA-N	475.635	6.557	10	40	JKCB	
COc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)c2)cc1	9634106	DJZVIGPAHDSIJG-STZFKDTASA-N	464.543	5.492	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15998983	NFFZOFQZKRXZAT-CCDWMCETSA-N	487.477	5.728	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1	16479719	APXCKHZWULWUKF-MTJSOVHGSA-N	493.522	5.697	10	40	JKCB	
O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)cc1	16545042	CTPFNZRVWWGLTP-VYKTZEHYSA-N	496.588	6.165	10	40	JKCB	
CC(=O)c1cc(Cl)ccc1OC[C@@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	16941210	FIANVGJVRSMCNW-IBGZPJMESA-N	458.341	5.279	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	17150167	CCNRRSIXZZNEDP-AFPJDJCSSA-N	475.416	6.120	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc(OC)c(Cl)cc3OC)C2=O)cc1	20288345	CNVHGIOQIHSSMT-JLPGSUDCSA-N	477.948	5.503	10	40	JKCB	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	28355844	AXPQLTSJOAIRBV-FCONWMNKSA-N	456.372	5.564	10	40	JKCB	
O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	32125021	CXDSRSIMPLIIDO-LZYBPNLTSA-N	487.411	5.392	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1	33446503	KSSMZUZPLXBVFP-XDHOZWIPSA-N	455.944	5.792	10	40	JKCB	
COC(=O)c1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1	35040262	KXVPDTQEKYXWAJ-KNTRCKAVSA-N	463.621	5.270	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc(F)cc1	59135759	JOMCLPLYOYWUOP-LDADJPATSA-N	480.492	5.224	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	59435746	QKLRHTGIENVAIU-DHDCSXOGSA-N	497.172	5.642	10	40	JKCB	
C/C(NCc1cccs1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	101432458	YYAPESIJUDCIAO-QJOMJCCJSA-N	490.679	6.225	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Br)c1	222830398	IREAFWKPZPEAMD-FCHUYYIVSA-N	469.452	5.633	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222950617	YPYALPQAWABVTP-XZOQPEGZSA-N	472.580	6.281	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Cl	225015473	MVTAHRSFYCPQPU-RPWUZVMVSA-N	451.039	6.058	10	40	JKCB	
CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735714	VQVJLLDJVCIPIE-UHFFFAOYSA-N	450.586	7.426	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408766887	UGKQTZHJRGHCQM-HYARGMPZSA-N	481.777	6.336	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)c1	408800935	SCZQVZILKFYJPQ-LPYMAVHISA-N	488.971	5.819	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1	408817775	UNEAZUFVLRQAAX-HYARGMPZSA-N	478.907	5.287	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)c(Br)cc1OCc1ccc(Cl)cc1	408855666	FYKRMNZAFFKBHQ-CAOOACKPSA-N	484.824	5.569	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC1=S	409031694	KEMHFVJNZFIURR-NVMNQCDNSA-N	470.418	6.569	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S	409166787	GRNBNHXEEQXPSR-PTNGSMBKSA-N	473.337	5.093	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1Cl	409195091	PCUZMXPSJSQIHQ-OEAKJJBVSA-N	499.057	6.273	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)cc1	409228402	YKUGOMJGIQEVDY-XQNSMLJCSA-N	458.608	5.793	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O	409344356	JCSQWBKHGJYQPT-QFEZKATASA-N	481.727	7.087	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S	409349010	UBLFLAPFXMUYGE-ODLFYWEKSA-N	455.944	6.012	10	40	JKCB	
CC(=O)c1cc(Cl)ccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	1585939	FIANVGJVRSMCNW-LJQANCHMSA-N	458.341	5.279	10	40	JKCB	
O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCC(=O)N(Cc1ccccc1)c1ccccc1	2284142	XHIHNFVPDBNFIU-QJOMJCCJSA-N	493.053	6.165	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087947	SUMIHMPKXQSMDL-UBFVSLLYSA-N	488.370	6.016	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1cccc(OCc2ccccc2)c1	9189248	JMDQSFQEZZIVDP-UQQQWYQISA-N	490.028	5.712	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\C/N=N/c1ccc(Br)cc1)c1ccccc1	13601925	WGXXCRSOUXBQKF-VLNLLYCGSA-N	459.347	6.409	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(C)cc1	13799174	ARCZCEKHZLQTDO-BOJMXSMESA-N	481.577	5.887	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1	16292306	HUKSVSNYJLAHIL-OYKKKHCWSA-N	479.598	6.123	10	40	JKCB	
C/C(Nc1ccc(Cn2cnnc2)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288204	GSLGRJLVMPOXPV-MOHJPFBDSA-N	491.580	5.073	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F	33613288	OEYDOOOFLZIBNH-HMAPJEAMSA-N	457.592	5.947	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)cc1	35645124	YGFFXKGEPXZYMY-HZHRSRAPSA-N	464.974	6.400	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	41107944	RMNBFXAMKUGCHV-VHLAIDERSA-N	477.952	5.554	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)c1	58850054	FPRRPCIMWQGPJW-FVXXUCQHSA-N	480.633	7.084	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1Br	59135304	RRYZVHJJSJERHN-LDADJPATSA-N	482.309	5.502	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)C(=O)N1c1ccc(F)cc1	59135636	PMGKABVOVPHWSW-DEDYPNTBSA-N	495.304	5.674	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21	208241528	AXWOBEZPWAHBTA-HVOBPNNYSA-N	472.372	5.382	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1C	223388644	PPTPLFPYYNXZMJ-IZLXSDGUSA-N	466.654	6.279	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223420203	BDTCHJWVXQAIRE-SVBPBHIXSA-N	486.616	5.810	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)C2=O)cc1	223582076	KQCALJHNZJUQCI-FSTGKYBXSA-N	475.589	5.172	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224201465	SQQHYWHKYRUVFL-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224845242	XFGOPBVVDSWLKX-KAYWLYCHSA-N	499.640	5.387	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@H](C)[C@@H]1[C@@H]2CC=C4C[C@H](O)CC[C@]4(C)[C@H]2CC[C@]31C	247954502	LIBRFSNEVHBFKI-QCCCXKASSA-N	494.701	6.262	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)o1	408634301	UCCBDHZQEFOYAY-XDHOZWIPSA-N	457.939	5.217	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)cc1	408758495	LBMKTZLHAHFFFN-CJLVFECKSA-N	472.997	7.096	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1Cc1ccccc1F	408870716	XDNOUKPHEABJDJ-RGVLZGJSSA-N	492.934	5.362	10	40	JKCB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O	409046429	KDVWMABDQRAOLQ-CAOOACKPSA-N	453.347	5.000	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1	409206223	WGERDWDXKBJZCY-XHLNEMQHSA-N	490.603	7.270	10	40	JKCB	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1OCC(=O)O	409212510	QRRSXYHNLJLRFN-LZYBPNLTSA-N	484.382	5.261	10	40	JKCB	
CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccccc1	3279954	LYVIUXVXAYENKM-HHHXNRCGSA-N	468.553	6.030	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(Br)cc1OC	9295931	JBDAVSYWHWDVKP-GRSHGNNSSA-N	494.432	5.266	10	40	JKCB	
CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)C1	11868506	RIUQYEWZDJLFRW-XGCWNURASA-N	460.599	6.176	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1C	13174845	CJTLEWYOEWVWGY-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1	13811429	GBFIMKNKQXZUGE-QKRKUQNHSA-N	488.016	5.977	10	40	JKCB	
C/C(NCCc1ccc(Cl)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20287912	MCMGSJZLGASTFL-QJOMJCCJSA-N	473.001	5.807	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OCc1ccccc1	26580609	TZICEFWSPZESQH-AHXGQMSJSA-N	482.565	5.250	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)SC1=S	33383120	WOZWFLCZINPCPP-OYKKKHCWSA-N	473.623	5.766	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848364	VYWBGEWORGTBRY-SGIRGMQISA-N	484.543	6.641	10	40	JKCB	
CCn1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)c2ccccc21	59862350	LHOXJZGJIQSIPR-VULFUBBASA-N	493.607	6.636	10	40	JKCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	103919014	LEEINPNLPANQQA-UQQQWYQISA-N	463.940	7.160	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1Br	106700466	CKSOGTYKDJMHDU-IUXPMGMMSA-N	486.218	6.058	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)SC1=S	107849699	SYHDWDBZGFCHMX-PXNMLYILSA-N	455.830	5.731	10	40	JKCB	
O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422589	IPEAUEXBTNBTIB-IUXPMGMMSA-N	466.550	5.154	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4C)c3C)N21	222702661	IZCRQVOWEXIXPZ-WUMKDDEVSA-N	451.039	6.430	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223728053	LMKKECZNNPSMBS-LOSJGSFVSA-N	497.064	5.377	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	224164229	KSVAQGMJFNTUCG-JWQCQUIFSA-N	492.570	6.685	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1	224208210	GTYCZQWDILHJQF-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
C[C@H]1C[C@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)NCc3ccc(N4CCCC4)cc3)n2)C1	225956558	IUQSISPXSMYONR-IRXDYDNUSA-N	492.615	5.065	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21	260922649	QZRWBHPMVPZZRM-ZEQRLZLVSA-N	484.113	5.291	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	408572174	FMNXYGJBJIXSPB-JMIUGGIZSA-N	491.034	5.284	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1	408759826	MKLJSCJJCDIYNZ-SFQUDFHCSA-N	499.842	7.213	10	40	JKCB	
CC(C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl	408881677	JYFQJDSTFQKTHA-UHFFFAOYSA-N	460.917	5.711	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408977374	INUXUEDBGODHDY-SSDVNMTOSA-N	471.771	7.032	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	409127120	CUBKOUGEUCMRNC-OEAKJJBVSA-N	468.981	6.556	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1	409183221	SUSDVWUENLIZAH-KSEXSDGBSA-N	496.991	7.027	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC	409350801	ZBBACAKUQVBROS-WOJGMQOQSA-N	453.507	5.909	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC	409352645	YDURSWCZKBYZMB-SXGWCWSVSA-N	495.376	5.170	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)C[C@@H](C(=O)c3ccccc3)c3nc4ccccc4s3)c2C)cc1	2616059	BXJZIACKAMLYBN-VWLOTQADSA-N	478.617	7.252	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1	2977235	YFMRGDWZPLMXPG-PCLIKHOPSA-N	454.620	6.399	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)c1C	8453504	WKUJKORHSLBAPD-DLDIIRHTSA-N	472.545	5.546	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1	8821755	WWNHREYJPZWZEG-UUYOSTAYSA-N	478.957	6.008	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccc(C)c(C)c2)SC1=S	9246284	CZHJCQRYSGVQNQ-STZFKDTASA-N	462.036	6.026	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	9335077	TUQRIEFECMVKHI-GJQHCVRFSA-N	485.609	6.641	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1	9345770	SBVJBRZBDDOTMS-CSQJVAFZSA-N	462.575	5.200	10	40	JKCB	
Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	9635940	ZZCDIJFZIKTSAJ-UHFFFAOYSA-N	489.424	5.628	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1	13940746	RKJUCMZYBIICEG-LCQIMXFNSA-N	468.966	5.135	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)C(=O)N=C3S2)cc1	26580576	LLRRHTJCPQTAIF-KHCNQNERSA-N	471.498	5.139	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1OC	35039929	DFYICBXVKSAHSG-HMAPJEAMSA-N	496.566	5.316	10	40	JKCB	
CSc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1	35238110	JBUWUDZCNYBLPF-FQEVSTJZSA-N	488.450	7.541	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106746507	ROYOJFQTEJJTSF-NVMNQCDNSA-N	466.481	5.101	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCc2ccccc2)c1	214256136	GSRXQKHSCDTTSC-WGOQTCKBSA-N	490.600	6.487	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223057568	PVZULDYUCZPLLH-GOTSBHOMSA-N	489.472	5.805	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224239255	VPJKBBMVHQYZAV-SVBPBHIXSA-N	482.609	5.703	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224292967	JMUQRXDWHHRXMP-UIOOFZCWSA-N	453.615	5.678	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371544	VBAFHBQNOOEXGK-XZWHSSHBSA-N	494.708	7.406	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C	224565091	ZYHGOOQWQQQPGR-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224900594	XBYWDSIQKCDNQH-RRPNLBNLSA-N	486.616	6.122	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)n1-c1ccccc1	225059525	BUFMGZJMRVSHTO-KAYWLYCHSA-N	467.642	5.655	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1	408772107	CWNQMWQJMINLQW-BUVRLJJBSA-N	483.955	5.626	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1	408783817	NKDSZNOKFPHOEV-FHMSYZJOSA-N	459.659	6.599	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1	408805834	HVVMFSLXRLQXTA-CIAFOILYSA-N	494.906	5.123	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408884905	WADRTFZXYYLOAA-LPYMAVHISA-N	488.971	5.531	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408891054	KMUYOIGERLVLJS-HMAPJEAMSA-N	476.985	5.367	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1Cl	408987825	YUNJUNUPIQQCDO-GZTJUZNOSA-N	484.766	6.905	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)cc1OCC	409023427	MOLRJXPZTYQIMC-UYRXBGFRSA-N	485.964	5.413	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12	409135516	YVBDVJFBSBUVMB-UUYOSTAYSA-N	483.431	6.702	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1	409327946	NXDQZSIEBFHFTI-HZHRSRAPSA-N	490.606	5.129	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)SC2=S)cc1C	409344585	HGIPYGSHFNOQPK-QFEZKATASA-N	499.617	6.620	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12	2453999	OZKHCTXAQCTIFS-JIMJEQGWSA-N	451.497	5.157	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1Cl	8744456	XJVZNBFYRTZRLW-NDENLUEZSA-N	477.948	5.880	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	9309580	WHXKDCVTLGKSMD-WOVJFNANSA-N	489.988	5.424	10	40	JKCB	
COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)cc1	23181603	DXIFPKQYJNOTNU-KOSHJBKYSA-N	470.038	5.092	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	41076703	WJLTXRUAQJLLAL-MSYYJCCKSA-N	483.597	5.469	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)cc2[C@H](C)CC1(C)C	208306464	OPURJCJUJFLNSL-NQRZERFFSA-N	493.629	5.482	10	40	JKCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	222785534	NHDLHVQHWXANDP-SFTDATJTSA-N	455.425	5.244	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223014869	IEAJBUHAJKQYBS-PKTZIBPZSA-N	455.027	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cc(Cl)ccc1O	223489912	XNAXAISIIGSYMP-RPBOFIJWSA-N	490.032	5.416	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C	224269169	IQGOKXYABTVKPY-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
Cc1cc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1Br	408644902	IHPHPYQZXSILIS-UHFFFAOYSA-N	455.352	5.269	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1ccccc1Cl	408882547	QTIGZMXTXVRCLS-CPNJWEJPSA-N	495.362	5.649	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1Cl	408898512	LZDJKKZCDPLYGV-DEDYPNTBSA-N	490.943	5.211	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC	409012466	KGDIOULSKXMMOM-GZTJUZNOSA-N	493.412	5.354	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409060210	ZTHYDGBGFGEUOI-BWAHOGKJSA-N	487.596	5.837	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	409328350	SRURMZCYXGXKBY-MSXFZWOLSA-N	496.097	7.222	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)o2)c([N+](=O)[O-])c1	409340155	RITAZYUXBMGOHS-UDWIEESQSA-N	468.512	5.278	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1	924814	NXYPSGZTQZFZCO-GOSISDBHSA-N	457.983	5.122	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	2294526	QGTKWNPIAMWGDV-IMONMXLFSA-N	459.236	5.435	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(OC(F)F)cc1	2641225	RKYMODBFRYDJSY-OAHLLOKOSA-N	498.580	6.316	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	3097611	RCUVNHZFZGQOQA-HYARGMPZSA-N	478.551	5.588	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SN=C(SCc3ccccc3)N12	8495722	SPBRHYSEDXDSTB-YIUBPJELSA-N	498.589	5.416	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	8783599	JUVWKLNEQWVVNU-RAQZVVLTSA-N	492.660	5.458	10	40	JKCB	biogenic,in-vitro
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c1	9192499	UNOBJFPSTHRUMY-MOSHPQCFSA-N	489.578	5.098	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S	9461341	NDXOJHJOZHPPMV-RXWSAZGZSA-N	486.707	5.488	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c2C)cc1	13675884	RISXCEGUXBQAFD-UHFFFAOYSA-N	477.630	5.025	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc12	13893728	JUPXGPOKQXXZME-BUVRLJJBSA-N	498.966	5.932	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1	16700742	ZQASUZRNNOQKHZ-USHMODERSA-N	476.580	6.443	10	40	JKCB	
Oc1ccc2cc(Br)ccc2c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1	22037787	FBZLNYGQMGEZJG-UHFFFAOYSA-N	487.441	6.215	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	32701748	KBYPKSBGRPLKIC-HMMYKYKNSA-N	497.667	5.705	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58849727	MTBUXKJVSHAPAQ-LZCXECNNSA-N	464.562	5.770	10	40	JKCB	
CC(C)COc1ccccc1[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21	96114576	XEWBRUCWQHDOKF-QGZVFWFLSA-N	488.492	5.053	10	40	JKCB	biogenic
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cccc2ccccc12	100525440	GHWNAYXCIDIIOQ-WHEOYJBGSA-N	456.487	5.747	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222620230	JLMHWRINDACEPP-UQDCGMOVSA-N	453.011	5.740	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224292920	JMUQRXDWHHRXMP-IZZNHLLZSA-N	453.615	5.678	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	224334779	RNLUZOPEUWIUIQ-WDYNHAJCSA-N	480.681	6.791	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	224450221	SLUGHEUMALBUDD-LOSJGSFVSA-N	458.562	5.506	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	260914729	HBICLFCTJSZYDI-RPBOFIJWSA-N	491.060	6.249	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	408537599	GDZDMDNBFCUIMZ-JWGURIENSA-N	464.562	5.328	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)Nc1ccccc1	408571829	CRVXXVDCGBNKDT-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	408800034	MYZXKWYWQAOSHQ-FYJGNVAPSA-N	478.907	5.287	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1	408845734	HEGGTXKZUOOYBD-YZSQISJMSA-N	469.585	5.720	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409032685	MIYCNLWNPGQFFM-WJDWOHSUSA-N	458.386	5.767	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S	409348410	SNLWVGQGAXWYGO-CIAFOILYSA-N	493.522	6.010	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	640869	ODMYCICUUVSUNZ-FYJGNVAPSA-N	462.933	5.088	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)ccc3OC)n2Cc2ccco2)cc1	1355650	MUGIXOIBFFTBAU-UHFFFAOYSA-N	463.559	5.248	10	40	JKCB	
Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1/N=N/c1ccccc1	4809241	LKLLYUYCKZADMU-NBHCHVEOSA-N	479.551	5.334	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)c(C)n1-c1ccc(F)cc1	9208813	ZRWNALSAAAWBMD-JOCHJYFZSA-N	465.506	5.104	10	40	JKCB	
O=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1ccc2c(c1)OCO2	9232851	ZPYBZHZTNFUPMC-OEAKJJBVSA-N	477.563	5.279	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)S2)cc1	9956921	QBYUDVMHVBSBLD-JCMHNJIXSA-N	460.511	5.005	10	40	JKCB	
COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1	34735684	UZCBOFZEMOLVPC-CYXNTTPDSA-N	483.951	5.371	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	59138823	PCUNLBRERVBGDC-QGOAFFKASA-N	468.340	5.410	10	40	JKCB	
O=C1/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(O)=NC(=S)N1c1ccccc1F	59139118	SFFMZPJKWNWSMQ-ACCUITESSA-N	464.503	5.118	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C1CCCCC1	208700795	RHLXZFXLAWTJDA-MTJSOVHGSA-N	478.466	7.106	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c(C)c1	223465770	HFEAMIPFSNWCRN-IXCJQBJRSA-N	481.669	5.982	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	223762712	HQGLBHVPOBWHQZ-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224335483	DHEUGVNUVNUOEM-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224468495	UENKXYAHRLFPHA-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1	224603306	WQXYCSUSDVKGGY-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(O)cc1	224604619	SJLVJBPFQMZWED-DQEYMECFSA-N	456.571	5.077	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1F	224901510	COGWSAQAGFCAJF-NSOVKSMOSA-N	499.659	6.180	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl	224951641	DEKOXKCIGFXGSA-LOSJGSFVSA-N	490.032	5.723	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)c1	408811449	RAMGQNDGUGZJNW-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OC(C)C	408864998	BMYHYBRQVXINDP-UHFFFAOYSA-N	470.525	5.456	10	40	JKCB	
CC(C)CN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc21	409110760	GNTOWAFWKNMLTE-UCQKPKSFSA-N	475.419	7.540	10	40	JKCB	
O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	409211903	KQQPSGLVCQXQBS-ZDLGFXPLSA-N	459.907	5.843	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O	409339620	XEMSVTYMGFEJHX-MHWRWJLKSA-N	499.249	6.016	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O	409343022	GGOYLDUSOTXFFV-VIZOYTHASA-N	471.343	5.412	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409351997	VKDYXGNUIOEUEW-MHWRWJLKSA-N	465.350	5.162	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc1	2256512	MYGDEKYXSUPYEK-ULJHMMPZSA-N	488.682	6.354	10	40	JKCB	
COc1cc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc(OC)c1OC	3365949	OBJLZROMEQQBDW-UHFFFAOYSA-N	497.548	5.284	10	40	JKCB	
Cc1cc(-c2ccc(Cl)cc2Cl)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1	8888383	GNPYMSCEENBGFT-UHFFFAOYSA-N	453.398	7.148	10	40	JKCB	
COc1ccc(Nc2cc(N3C[C@H](C)O[C@@H](C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	9065664	BTTDGFPIGQIHLD-HOTGVXAUSA-N	455.514	5.405	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1C	9292183	JGVUITWNLIAEJZ-BIRLBKGPSA-N	459.619	5.910	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21	9309482	XYKKAQNIGLYBJI-GSDHBNRESA-N	451.497	5.157	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	9309598	SAPVJQTWJXRVGR-ODFXPZCVSA-N	499.596	5.109	10	40	JKCB	
COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cs2)cc1OC	10963310	DJGZGNDXWUKDJZ-UHFFFAOYSA-N	451.592	5.090	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	16195622	BKWVMGATKHYDOJ-UUASQNMZSA-N	460.791	5.723	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3nc(Cl)ncc3F)cc2)SC(=S)N1c1cccc2ccccc12	16544895	KZOWHNPLEHTRKQ-UDWIEESQSA-N	493.972	6.620	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1	33374558	MZNNTXBUFPNTJA-BWAHOGKJSA-N	481.552	5.545	10	40	JKCB	
CCc1ccc(/N=N/C(Sc2nnc(-c3ccncc3)o2)=C(\O)c2ccc(CC)cc2)cc1	35682766	IGXRTOWWFFBKNS-XERUJYNCSA-N	457.559	7.017	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	59959242	PHUZBIFQGNPYTQ-ITYLOYPMSA-N	467.565	6.266	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccc(Cl)cc1	95536326	FMKGYGFDHXFHQF-DEDYPNTBSA-N	467.308	6.079	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1C	224436013	FOURJLBNXDMHKR-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	224571075	XGLWDGFMEXFOJW-IXCJQBJRSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020121	PCNKCPFAJLPNFT-RPBOFIJWSA-N	474.630	5.411	10	40	JKCB	
COc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)CCCC2	225189399	LXFXDSWCOREJBB-UHFFFAOYSA-N	455.963	5.259	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Cl)N1c1cccc(Br)c1	408753884	ONJSBHUNIXUNGO-BUVRLJJBSA-N	487.784	7.090	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408887617	PNLNZBWHJHKQRE-OEAKJJBVSA-N	488.971	5.765	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1	408987689	GIPBFKRYZIGPBU-ZHZULCJRSA-N	495.362	5.801	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409022102	FABUVRLSBJEUPK-ZVHZXABRSA-N	464.562	6.257	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409168888	OFIOFGCKDFEYTD-FHAGJXEFSA-N	462.387	6.960	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Cl)c4Cl)C(=O)N=C3O)c2C)c1	1134989	PJPVMBMEJNUGJD-WOJGMQOQSA-N	484.339	5.916	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	2302261	FCXHAQCLPQMBCH-QNGOZBTKSA-N	465.596	6.352	10	40	JKCB	
CCOCCCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnc1-c1ccncc1	3345694	XPFNWKPRJZGZMH-UHFFFAOYSA-N	493.608	5.288	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C(C)(C)C)cc2)SC1=S	8958863	ISHMMYBCMWKZLZ-QNGOZBTKSA-N	476.063	6.316	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	9030392	YFRLNTBUYXXEHG-MOSHPQCFSA-N	464.008	5.165	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	9309669	YUANPFDRNNIFMG-SSOZYACPSA-N	457.962	5.696	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1c2ccccc2cc2ccccc12	16160852	CYAOCHFQCFETRI-MOSHPQCFSA-N	465.767	7.759	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)C(c2ccccc2)=NN1c1ccccc1	16737368	SQUOKUAMJSIUMP-OOAXWGSJSA-N	467.532	5.769	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1Br	27519456	GHQKHNVMZWWNSY-QGOAFFKASA-N	466.762	6.582	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1c1ccc(Cl)cc1Cl	33446699	FSLJJHYOWVJWOD-WLRTZDKTSA-N	451.183	6.412	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1Cl)Nc1ccccc1F	33746570	ALMGUJTXMUCVLT-MTJSOVHGSA-N	499.926	5.718	10	40	JKCB	
O=C(c1ccccc1F)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35843236	BDTCVXJRLRWAQT-ULNSLHSMSA-N	499.541	6.142	10	40	JKCB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847294	WHBGEOPQXXSSJD-XLNZFTOWSA-N	481.961	5.876	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847705	NZDBTOGMOIJUDH-XLNZFTOWSA-N	489.399	6.760	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106681106	OEOVTAQAFKQTIS-MTJSOVHGSA-N	456.489	6.349	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	223443887	DXVQPMZVLFHSCG-CLJLJLNGSA-N	454.599	5.362	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223821607	KHVFNRKEWNCAOW-VMPREFPWSA-N	496.680	6.682	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1cc(C)c(C)c([N+](=O)[O-])c1	408534492	VRZFYISXFDILNM-YVLHZVERSA-N	457.328	5.309	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c(C)c1	408573147	INIABNGIKXUTGS-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(c2ccccc2)=NN1c1ccccc1	408600964	HVOTUZKNOLPFLX-JWGURIENSA-N	459.332	7.088	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OC(C)C	408901958	JILMGBVUWAWLLQ-VCHYOVAHSA-N	464.406	5.651	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1C	408967041	OXVDIAHPCWPSAO-UCQKPKSFSA-N	450.991	6.546	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1	408995055	IHLPBQJARBSLDU-PCLIKHOPSA-N	479.536	5.063	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409024130	WWLFCOWIGWTFQA-IMRQLAEWSA-N	467.565	6.266	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccccc1Cl	409034294	NBKPDOALMSOPHT-GRSHGNNSSA-N	482.454	6.438	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)c(Br)c1	409134462	SZAHLSTVNZALKF-PDGQHHTCSA-N	495.398	5.466	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCC	409196961	TYNDCZROZPIIQW-MOSHPQCFSA-N	492.460	6.433	10	40	JKCB	
O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	409332370	QJTBGDBMQOFOEH-WOJGMQOQSA-N	476.366	6.098	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)c2C)cc1	409342326	BGDYLENWPYPPNK-QRVIBDJDSA-N	480.973	5.675	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccc4)C(C)=C3C(=O)OC)c2C)cc1	680487	QVMXHQPRCHKVFY-ONUIUJJFSA-N	470.569	5.366	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O)=C\c1ccccc1	8820635	SMHCXUYTHCAZQZ-ONCFUAGWSA-N	470.619	6.140	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(F)c1	8872114	YNNFUPQZZJRABC-WQRHYEAKSA-N	460.349	6.254	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	9309697	FMXGHXFEAVAFJS-FJVWWGQZSA-N	467.598	5.632	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C)cc3)c(Br)c2)SC1=S	9849576	LABJNBCIGXRCCX-BOPFTXTBSA-N	462.390	5.198	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1Cl	10112133	DEIJMLPKBOCELL-UHFFFAOYSA-N	498.048	5.370	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2OC)cc1	13039621	FSVRXJGEGPHBPP-JCMHNJIXSA-N	460.511	5.005	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC	13940557	HFAVZXVXUTUFSI-CTNNYUBMSA-N	486.568	5.128	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCc2ccccc2)cc1	20288583	RSLJUOBIKNILNQ-MOHJPFBDSA-N	468.582	5.162	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	33407435	DYDBFBWRNGDYQV-QVKWDTFWSA-N	461.591	5.302	10	40	JKCB	
CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)o2)cc1	34758888	GCDWTFBNBJOPOO-ZQHSETAFSA-N	487.585	6.918	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	34859560	XBQMUBCSFKBTEC-PPIATVRMSA-N	488.016	5.918	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1	58848556	GXKQSPCSGLJJQH-CLCZQPDDSA-N	460.599	6.021	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Oc2ccccc2)cc1	100525024	LGQBPVBXMIIYBK-USTXVIIHSA-N	467.554	6.786	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2	102185446	VAVYKRZJAZHPON-JNRNKGNBSA-N	459.608	5.071	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	106535689	PHWPQTSGZBHLSB-SDHSZQHLSA-N	477.541	5.657	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1C1CCCCC1	113832935	LOAPAXMRBLCEGV-OEAKJJBVSA-N	450.604	6.363	10	40	JKCB	
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O	208262205	MJNDIBXMHDBDBA-NACCWKTGSA-N	450.988	5.050	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223419229	HVMWFNSDLJEZEN-NSOVKSMOSA-N	482.653	5.979	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223614603	UOTUBHSKIBQJIB-WTZXFZKGSA-N	483.077	7.386	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	224570746	VYFCNIYGKMETGW-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225017873	BVZITTYEUJVOGX-IZLXSDGUSA-N	487.717	6.250	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	260924235	SKQANPZJEDEFTD-XZOQPEGZSA-N	471.070	5.376	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(F)cc3)SC2=S)cc1	408577183	RSOASHOINLJVRO-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1Br	408601226	JEBGHNZTAKCDIR-WQRHYEAKSA-N	454.455	6.018	10	40	JKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2	408736031	BDLHIGFZVBSPMD-QQNWGBJXSA-N	472.415	8.552	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1	408752803	CKAFIZRHOXCKHT-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1	408757808	CKRRTINCGQNQMV-DEDYPNTBSA-N	482.721	5.845	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1	408769438	UZIMJFGDMKNFBA-LPYMAVHISA-N	463.990	5.196	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1	408876957	RIJHQMKQVHGSJC-BUVRLJJBSA-N	472.972	5.831	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(OCC(C)C)c(Cl)c1	409040516	YQECUWASDYPJIU-NYYWCZLTSA-N	493.259	6.530	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)NC1=S	409084007	MAGBACPONQLGTM-YVLHZVERSA-N	495.826	5.158	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409093148	YGRWZEDOVRLLNH-SMLKNPDNSA-N	498.428	6.092	10	40	JKCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O	409103005	CICTXCDUBHJRKN-HYARGMPZSA-N	479.583	6.210	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3cccc(F)c3)cc2)SC(=S)N1Cc1ccc(F)cc1	409143915	WTPKIEFZQBIBEC-JOCHJYFZSA-N	455.551	5.515	10	40	JKCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	409245267	QAMJMOBTZZSMPX-SFQUDFHCSA-N	474.485	5.281	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1	409245702	XWRNERKFHWWQNL-XDHOZWIPSA-N	483.376	6.119	10	40	JKCB	
COc1ccc(OCc2ccc(C)cc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	1105554	DNWJNNZQPUXVBX-XKZIYDEJSA-N	451.569	5.577	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1	4090441	DQHUJQLZKBAUGE-XKZIYDEJSA-N	464.518	5.256	10	40	JKCB	
COc1cc(NCCCNc2c3ccc(Cl)cc3nc3ccc(OC)cc23)c2ncccc2c1	4821504	RXDZLKUJCJDOBW-UHFFFAOYSA-N	472.976	6.521	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	8821614	BEEZYFBKBOKGOV-JXAWBTAJSA-N	458.020	6.276	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1C	9010131	BBMPHDORROHQRS-KOEQRZSOSA-N	481.621	5.928	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	9478030	BXURNAONIBVMOF-WFSKJOQISA-N	477.564	5.870	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1	12631045	GDQZYPXKGGSDGC-HMAPJEAMSA-N	452.000	6.320	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	13786708	XWWWTUUQYVKAJE-ICTWZOEXSA-N	481.625	6.275	10	40	JKCB	
Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(C(=O)c3cccs3)CC2)c1O	21741641	ZIADRWXQHXYWBV-UHFFFAOYSA-N	485.609	5.126	10	40	JKCB	
Clc1ccc(-c2c[n+](/N=N/[n+]3cc(-c4ccc(Cl)cc4)n4c3CCC4)c3n2CCC3)cc1	27027808	FTEGNQPGDKWMMR-BYYHNAKLSA-N	465.388	5.076	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4cn(Cc5ccccc5F)c5ccccc45)C(=O)N=C3S2)cc1	27546794	XEHOIPZYAPGJIS-UHSBVEPQSA-N	493.567	5.805	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1	27830809	OXJOFPANASVVEV-PXLXIMEGSA-N	482.026	6.724	10	40	JKCB	
CCc1cccc(C)c1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)SC1=S	27906094	KOTJNPPNFCEHEV-STZFKDTASA-N	463.580	6.010	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2ccc(C(C)(C)C)cc2)SC1=S	33430240	LAXUUPXAQMZANA-XLNRJJMWSA-N	485.671	6.062	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35843336	SWXWNVVEFFFFBP-ZNZIZOMTSA-N	488.568	5.459	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	40940375	SCRJIBAWIHCBNR-MHWRWJLKSA-N	497.823	5.047	10	40	JKCB	
CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)c2ccc(Br)cc2)cc1	103147770	URVFWKHKPYIFBU-QPLCGJKRSA-N	466.335	5.970	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cc(Cl)ccc2Cl)cc1	103922367	PHDWNSRBFQRYGN-HMAPJEAMSA-N	497.338	6.047	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390926	ULUKQTSMIFONMK-SXOMAYOGSA-N	487.072	6.624	10	40	JKCB	
Cc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223611147	CDOZDGZCFYAAJS-LASGFXPTSA-N	458.624	5.484	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1	224166141	RHSKTHMFXSKURA-JWQCQUIFSA-N	459.018	6.320	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1Cl	260916201	HZHLDSUFUYBNFI-DQMJNTIXSA-N	467.038	5.294	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)cc1	408775681	IXRDIMQOFWZRAY-IZBTWGKQSA-N	455.986	6.049	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O	408884737	VESUROIEVKNALX-STZFKDTASA-N	495.362	5.801	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cc(C)cc(C)c1	408897412	WTOJOZKFSCBAKU-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1	408936888	LFYASNSAIBGSDH-WQRHYEAKSA-N	485.298	5.378	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(C(=O)OC)=C2C)cc1	409013697	NMMNJSWCICXEES-ONUIUJJFSA-N	484.596	5.987	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c1C	409068273	IIDRPDVIAZIMFI-SFQUDFHCSA-N	468.340	5.376	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O	409136132	SNOSQELJLVRCTQ-HINJULBWSA-N	458.583	5.465	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O	409193560	GPDMZXHEJGKNPX-STZFKDTASA-N	484.440	6.797	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)c1	409202059	YVJMZWOMYZWQBW-UQQQWYQISA-N	499.611	5.557	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl	409211950	KVLHRZDRYWOHBY-LPYMAVHISA-N	498.025	6.799	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC1=S)c1cccs1	409332501	POJWBRPGAHVEAE-XDHOZWIPSA-N	487.027	5.527	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)o2)c([N+](=O)[O-])cc1C	409352710	YRBOKZCCWUYVHF-MTJSOVHGSA-N	450.541	6.186	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc12	682019	SDYFVRWLRMQTRK-UHFFFAOYSA-N	464.546	5.597	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1	6057123	WMXHFJQOGRAANS-YZIHRLCOSA-N	492.597	5.340	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1	8819797	KNBAXAJMQGJVNL-GFMRDNFCSA-N	493.698	5.105	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	8821512	UYAJQRRPMAOZTK-UDWIEESQSA-N	450.497	5.463	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	9292134	LCSQYSROQNMXOW-AHXGQMSJSA-N	483.597	5.387	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC(=S)N1Cc1ccccc1	13896249	JQQMPFLYZCDCJB-XKZIYDEJSA-N	480.542	5.714	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccc(F)cc1	33888501	HILIRIPNZYRPCK-UDWIEESQSA-N	494.906	5.964	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	39556260	QXYWEYVOJYYMRQ-ZVHZXABRSA-N	484.487	5.138	10	40	JKCB	
CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)OC(C)(C)C)c1C	44827054	WCBIAGDNKOSLDH-XDJHFCHBSA-N	497.617	5.687	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58848074	JBSYQYDXXCJNLO-BPYKYCOYSA-N	495.988	6.184	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224339184	UYDBVZBPDZRNEQ-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
CC(=O)Oc1ccc(/N=N/c2ccccc2)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O	408744082	WHRCBQYBQZALRD-FVSIZJORSA-N	489.325	6.771	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1	408765749	NPSZPCQJXHIGHL-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)c1C	408803230	MRWUUZLJKHHOKW-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408815518	WXXGQQDGXRZTOC-HYARGMPZSA-N	474.944	5.456	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1F	408885670	DRHYORPACPXGQQ-KGENOOAVSA-N	488.515	5.087	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408901919	IXEBYNOBVJOHRM-DEDYPNTBSA-N	467.403	6.212	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)C2=O)cc1	408985151	VWSOETJRYWSIES-ATVHPVEESA-N	499.748	5.591	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1	409131072	MYTUCGTUPUTMQQ-XYGWBWBKSA-N	488.634	6.413	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S)c1ccccc1	409171906	DFKABTDHJZIPGR-UQQQWYQISA-N	496.613	5.965	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)c1	409231525	KZYLRSKYJYJBIR-HZHRSRAPSA-N	458.539	5.211	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1OCc1ccc(Cl)cc1	409338404	JJBOKBZNGMOFHF-HMAPJEAMSA-N	482.026	6.329	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC	409339729	LHPSYEARJWLZJM-STZFKDTASA-N	459.658	6.392	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	6444753	OAFNLWWUNWOWLQ-RMVXJAJNSA-N	490.397	5.642	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	8576641	GHLGNFXLUPXCKQ-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	aggregator
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821386	IMHURDCCFLGASF-PQDCBLBRSA-N	476.019	5.764	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1	9210465	GNKZONCODQCWNN-ZEHCUALSSA-N	451.621	5.547	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\S[C@]3(NC2=O)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1	15057185	NXFJHCMRBOPZPS-AICNEOIVSA-N	496.636	5.592	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1Cl	16313007	IZFIAWXOALSODO-BPYKYCOYSA-N	450.991	6.276	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccccc2-c2ccccc2)cc1	20289096	WMDXJAIYUGISCE-ANYBSYGZSA-N	489.575	6.508	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccc(F)cc1	32109426	NGUOVUSGDWFZDI-KQHQIWRUSA-N	466.538	5.079	10	40	JKCB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847452	LSMHLCGEEAAIAM-YZUZCNPQSA-N	481.961	5.876	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc(C)cc1	59136159	GHIVSHGDQSLLQE-XSFVSMFZSA-N	490.556	5.783	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C(=O)NC2=S)cc1	108285574	YOHHZMDFYHXKEK-OVVQPSECSA-N	492.600	5.813	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c(C)c1	208227765	ANYALEUWQCKRQE-HTAGGTJDSA-N	491.657	6.009	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1	208657271	QGGKLTYNNQRWAM-MOSHPQCFSA-N	469.429	6.262	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1	223097572	MORVNTAQVAYTBT-DQEYMECFSA-N	465.066	6.448	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c(C)c1	223231299	CVKDORBUBPYWBA-AHKZPQOWSA-N	475.706	5.339	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2[C@@H](C)CC1(C)C	223583231	RCKJUMUHKKTIMS-KWJZBXMYSA-N	475.658	5.555	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c(C)c1	224170801	GHYDZTBCQXKIEL-IXCJQBJRSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1C	224270238	QHPPAIOKCZYFIT-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C(=O)O)cc1	225017560	DOXJARQDFHSPJL-RPWUZVMVSA-N	460.603	5.102	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2ccccc2F)c1	408881658	MAFIINMHCVLIJS-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cc(C)cc(C)c4)ccc4ccccc34)C2=O)cc1	408882997	SIVXSYHWYAJCAG-VUTHCHCSSA-N	488.587	6.276	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cccc(F)c1	408884974	ZLVFYRAQKZQGEU-CPNJWEJPSA-N	494.906	5.123	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1	408942551	ZHEIVUDVLVTOEY-HYARGMPZSA-N	471.900	5.067	10	40	JKCB	
O=C(Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21)Nc1ccccc1	408963642	ICJKBOUWHPKZCX-JCMHNJIXSA-N	488.469	5.629	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)c(C)c3)C2=O)cc1	408985300	LILLXQZIRKCDKM-LTGZKZEYSA-N	460.371	6.628	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	408995409	CKAHYIYSDPAUAE-QQXSKIMKSA-N	470.569	5.284	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	409045905	JQQPNEYTBOANMM-ZSOIEALJSA-N	477.345	5.665	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S	409102007	CGCMQKMHEBHYLB-KGENOOAVSA-N	485.996	5.483	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1cccc2ccccc12	409338388	JAHQLAJBYWPFSM-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S	2207587	MSIURFKKWBNPTJ-SILNSSARSA-N	493.654	5.786	10	40	JKCB	
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	2249157	BCZOXKZEQRKKCY-JWGURIENSA-N	479.696	6.653	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N=C2S1	5946098	GESMXSHQTDDCSS-MHHBVAOCSA-N	484.423	5.666	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1	8739165	WYDVVOJDFHHFRM-QNGOZBTKSA-N	493.610	5.004	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1	8819075	ZUCRIWVDSPULGF-WOJGMQOQSA-N	459.752	6.445	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	34880070	CGLWAAMIDVWZBD-HHGYXRTLSA-N	459.962	5.415	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1F	59418247	YCSUJKUPDBWMEB-WSDLNYQXSA-N	469.534	5.958	10	40	JKCB	
CC(C)n1[nH]c(=O)c2c(-c3ccc(-c4cccc(C(=O)O)c4)o3)c3oc4c(O)c(O)ccc4c3nc21	85878789	RRZMDCPJYFEGHO-UHFFFAOYSA-N	485.452	5.241	10	40	JKCB	biogenic
COc1ccc(OCc2ccc(Cl)cc2Cl)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1	101402015	IBQYMCIRGORBEW-LPYMAVHISA-N	467.352	6.387	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609860	COUUIPIXYPYIKA-BJKOFHAPSA-N	455.587	5.075	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(Br)c3)SC2=S)cc1C	408600063	SOIAWMSSSNHJNH-JAIQZWGSSA-N	476.461	6.507	10	40	JKCB	
CCCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	408601613	KUCPNCGIQUUSCB-LICLKQGHSA-N	468.825	6.297	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc4ccccc34)C2=O)cc1OC	408763389	NOVPIZVGMOASMX-CJLVFECKSA-N	467.952	6.982	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	408901262	CSJVHNCMZRDVEL-FYJGNVAPSA-N	492.329	5.742	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12	408937090	HSLUWCAMBHVJQM-NLRVBDNBSA-N	460.533	6.169	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC1=S	409141026	GVWPUAVYTRDOIP-STZFKDTASA-N	457.020	5.985	10	40	JKCB	
COc1ccc(CN2C(=O)[C@@H](Cc3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	409147325	WJVHDZWCIYBCAT-XMMPIXPASA-N	463.624	5.554	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)o2)cc1	409331203	MQGKYHUXXYIGGD-DEDYPNTBSA-N	467.593	5.861	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1[N+](=O)[O-]	409338177	FIMXDNGJDMGPPX-FYJGNVAPSA-N	465.556	5.635	10	40	JKCB	
COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1OC	939998	RYXNBBVKXNJYPF-UHFFFAOYSA-N	477.479	5.434	10	40	JKCB	biogenic
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	2247861	BJXREQNCQNSEDX-MOSHPQCFSA-N	495.651	5.327	10	40	JKCB	
COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1	2512767	VLWYVTBNVUJTJI-HXUWFJFHSA-N	472.382	6.828	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	9434989	RLJALDCHVWMFNJ-MWSLWTOPSA-N	459.236	5.435	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1cc(C)ccc1C(C)C	9969727	UXCDRQDWWRKXOJ-KOEQRZSOSA-N	499.698	6.586	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	13770786	RYZAUBBGLCKDFF-OQZKWKKUSA-N	466.994	6.580	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	13811412	WPGADJNSOIPAHL-WOZVDNMVSA-N	456.571	5.504	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)N1c1ccc(F)cc1	59135663	QYWVRKXDBYDLEX-DEDYPNTBSA-N	495.304	5.674	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(Cl)c(Cl)c1	59135743	CUZRSZQZBZQHCS-YBEGLDIGSA-N	488.371	6.212	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	59137181	LHAURIXMSXRSHP-RGVLZGJSSA-N	482.309	5.502	10	40	JKCB	
COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222886	WPOLLYDSBJBVKJ-IBGZPJMESA-N	490.508	5.059	10	40	JKCB	biogenic
COc1cc(/N=N\c2ccc(C(=O)N(C)C)cc2)c(C)cc1/N=N/c1c(O)nc2ccccc2c1O	104367213	QENCHULXFOFBLI-GILIAAGRSA-N	484.516	6.496	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1	208244398	XRWVICUESNECTQ-YODDIOPGSA-N	482.049	5.510	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(=O)O	223386979	JNHSNBMVLXJMSH-UIOOFZCWSA-N	482.609	5.360	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223903476	BUNXXMWLDLSTDI-UIOOFZCWSA-N	482.657	5.436	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1	224165941	MCTUXAINGXQIBW-RPBOFIJWSA-N	459.018	6.320	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(F)cc1	225043937	KFEFDQLOAPCBQD-VSGBNLITSA-N	499.659	6.103	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O	260569284	OXGLSNPJWSWRCV-SYVPYPDPSA-N	473.617	5.724	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1	408537230	ZNWWUPUIBGZPLP-XYGWBWBKSA-N	455.558	5.571	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)O)o1	408634865	XJKXPPFYTDXTKF-WSDLNYQXSA-N	495.988	6.332	10	40	JKCB	
COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1	408638166	CCFAFJQRRCQLQQ-HXUWFJFHSA-N	452.510	5.632	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408870632	WFJRLHHXGFYDES-STZFKDTASA-N	462.958	5.059	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	408877973	ZGFPGHHYIFQDBI-YVNNLAQVSA-N	466.946	5.713	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)cc1	408884402	UIDYPOWIIZDSIX-NLRVBDNBSA-N	494.978	6.313	10	40	JKCB	
CC[C@H](C)n1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21	409031329	ABTASYNKGKOZMB-SEJMYLSOSA-N	475.461	6.731	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409064508	CRJPENFUISYIKW-HAHDFKILSA-N	458.533	5.727	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1	409094771	FYBSNYYMVQWTCA-YZSQISJMSA-N	484.600	5.277	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	409191184	DAMIXFJAJIXPJR-KEBDBYFISA-N	461.345	6.781	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409202321	PRTLHIAHDKLJNP-SRZZPIQSSA-N	457.382	6.950	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1	409242301	QKCCFETYFLBJRP-NBVRZTHBSA-N	450.972	5.323	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	409357021	IDSANNCXNYWRNE-BKUYFWCQSA-N	471.600	5.050	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nnc(NCc3ccccc3)s2)c(C)n1-c1ccc(Cl)cc1	3322935	HSHQWPAOWZBIBX-QGZVFWFLSA-N	483.062	6.575	10	40	JKCB	
CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)C(=O)O1	3771157	OXJCGZJEZLBHAH-UHFFFAOYSA-N	459.336	5.274	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCCOc1ccccc1C	9849517	HKSRMFXLHVNCQF-IWIPYMOSSA-N	495.597	6.006	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)c(OCC)c3)C(=O)N=C2S1	15240548	UVADSSXPLAEGAU-ZKWSLEOOSA-N	492.601	5.271	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1	17057519	XLLCCCIABDHLJY-KHCKMINHSA-N	491.975	6.241	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2ccccc2N1c1ccccc1	20059457	OXXKKZWELGILIU-VFCFBJKWSA-N	474.535	7.078	10	40	JKCB	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)cc1	23181607	DXIFPKQYJNOTNU-HOYKHHGWSA-N	470.038	5.092	10	40	JKCB	
COc1ccc(Br)cc1[C@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21	32138907	KDWJQUPDZSPBSD-KSMMKXTCSA-N	482.159	5.889	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl	33421040	UQIWDYOCKNQBML-UNOMPAQXSA-N	478.888	5.140	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1OCc1cccc2ccccc12	33668716	WPAJHMLVBLASCT-UCQKPKSFSA-N	499.910	5.442	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c1	58849344	UTTYHNOWEBVXDR-LZCXECNNSA-N	462.571	5.331	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)SC2=S)cc1	59536791	JPWJVDFSVUETQM-KOEQRZSOSA-N	491.634	6.469	10	40	JKCB	
CC(C)Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCC2)cc1	85879471	AEDAEMJEOWHNIQ-UHFFFAOYSA-N	459.502	5.605	10	40	JKCB	biogenic
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1	100926157	RQKSMVUTPGTKPQ-YBEGLDIGSA-N	458.374	5.847	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Cl)c1Cl	222923735	YPNYUUCTJIWEIQ-XZOQPEGZSA-N	473.473	6.424	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223862203	DIWMJMKFLNCOTJ-XNMGPUDCSA-N	468.626	5.989	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223900415	AZSOTPSECMQKPH-LMSSTIIKSA-N	495.696	6.349	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224306084	VKSVALJLNXYOGD-DGPALRBDSA-N	494.708	7.208	10	40	JKCB	
COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	224839610	LDRXUPAXLDFKHG-GGMSWHNTSA-N	487.600	5.173	10	40	JKCB	
CCN(C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)C2(c3ccccc3)CCCCC2)C1)c1ccccc1	257283886	PAHWTXJISCLPPZ-QFIPXVFZSA-N	470.617	5.294	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1	408738290	UGUOWWAKRQTGML-RCCKNPSSSA-N	472.371	8.033	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)o2)c(Br)c1	408849712	YMGFSWCKUOIDQC-UNOMPAQXSA-N	479.330	5.301	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1cccc(F)c1	408876898	OQCPAHFOMHYYBS-HYARGMPZSA-N	478.907	5.135	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1F	409105063	FZIRBZVZCZYLLX-RVDMUPIBSA-N	472.303	5.206	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC1=S	409201797	YGLZMYSRSGDSQK-RGVLZGJSSA-N	496.526	5.251	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O	409245677	XLCNSFSPDWHYAG-DEDYPNTBSA-N	477.948	5.121	10	40	JKCB	
O=C1/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	3000015	BQFRYTIGKHPKTG-STZFKDTASA-N	457.536	6.149	10	40	JKCB	
O=C1NC(=S)N=C(O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	8742688	AUKHLGHUBGRGON-UHFFFAOYSA-N	494.532	5.474	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccccc1Cl	8871690	MRIYLRUTQCTIBO-ATVHPVEESA-N	495.851	5.723	10	40	JKCB	
CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccc(N(C)C)cc1	9075905	NUNZVQCWCLIKRE-YTMVLYRLSA-N	466.666	5.663	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C)cc3)c(OC)c2)SC1=S	9144497	SVGIQCIROBWHBE-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc23)CC1	9348470	XHNZOGCBHMNNRD-UHFFFAOYSA-N	496.357	5.266	10	40	JKCB	biogenic
COc1ccc(C)cc1NC(=O)c1cc2ccccc2c(CN2CCC[C@H]2c2cccs2)c1O	13061508	HNEZKVXFRRCPBN-DEOSSOPVSA-N	472.610	6.513	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	13574923	RCUVNHZFZGQOQA-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc21	13785920	AZOLUUUBSCUYPP-UZDYXXGDSA-N	497.502	5.210	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	16043037	JVVADJZDSMGGOB-YJTSDRCLSA-N	476.617	5.170	10	40	JKCB	biogenic
Cc1cc(Br)c2c(c1NC(=O)c1ccccc1Cl)C(=O)c1ccccc1C2=O	16268843	XQVNDJFKDJSDIW-UHFFFAOYSA-N	454.707	5.439	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)ccc1[N+](=O)[O-]	16283202	SFQZEWGHMWEBHL-ODLFYWEKSA-N	467.484	5.477	10	40	JKCB	
CCOC(=O)c1ccc(/N=N/c2ccc(/C=C/C=C3\N(C)c4ccccc4C3(C)C)cc2)cc1	27988340	FDQFGRNENIPSPE-BZCVVACZSA-N	451.570	7.603	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1cccc(Cl)c1	33792375	SMIBCRAQJXNTGA-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(F)cc1	40006374	OFBWEJIWQSHCJV-UUMRFZBWSA-N	473.591	5.184	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1	59484916	HEBMNRVJHSVNTR-UHFFFAOYSA-N	454.595	6.175	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	87722321	HDKKYHKRLXLXTL-NSIKDUERSA-N	457.316	5.022	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[C@H](C)CC1(C)C	208308504	LRQWKXPRQNLELS-NXUSMQHESA-N	499.474	6.798	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223536620	DXNUIWLCLMZQTF-BGARDKSCSA-N	486.399	5.772	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223538057	KDFXHUVQDNSBCF-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C	224267374	BRFCGTIIHSPKML-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
CCOc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408575469	OKMIAFGEQASXFF-KQWNVCNZSA-N	490.606	5.509	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1cc(C)cc(C)c1	408873887	WRRRWIYCSPTVQS-ZVHZXABRSA-N	488.971	5.613	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409056086	DXDJXXJMTQWWLA-QNGOZBTKSA-N	460.961	5.933	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409067121	JJZWMSGIEZYHQP-QFEZKATASA-N	489.015	6.550	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409212475	QKRVDLXGAGZMIA-YDZHTSKRSA-N	492.578	5.897	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409330652	LKGPOKLTNOGSKQ-NDENLUEZSA-N	479.539	5.505	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1OC	8821254	HOHMZOMQHDFGSZ-NDENLUEZSA-N	457.573	5.287	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C([C@@H](O)c3ccccc3)[C@@H](O)c3ccccc3)c2)cc1	8871902	LDWPEGDDCZLRKJ-NSOVKSMOSA-N	489.593	5.052	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	9233909	OZIQEYSGTDXQQF-VZHDZHPESA-N	488.016	6.032	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(C)c(Cl)c5)c4C)C(=O)N=C3S2)c1	9274057	XHGGTIUTEVXCMQ-CHZFGFJDSA-N	488.016	6.032	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccc(Cl)cc1	12032413	WGKLTILBFCDKIL-SFQUDFHCSA-N	495.851	5.723	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)c1	12274985	XZTUJABOYSYXKA-YBFXNURJSA-N	460.407	7.276	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1	26681015	OGVSNYUKZJNXHJ-KQWNVCNZSA-N	487.643	5.008	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35851515	ZSSSEMZRTYSCSG-CYXNTTPDSA-N	497.541	6.013	10	40	JKCB	
Cc1ccc(C)c(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2)c1	41108536	UEERWMPSFLVUNQ-HAHDFKILSA-N	465.596	5.756	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Br)c2)SC1=S	41108581	VNPSQZJBXLGYSG-YBEGLDIGSA-N	466.353	5.029	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	58847097	ZEYUHQJNHHKUAI-GLDPYIMESA-N	489.399	6.760	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)cc1OC	58849475	VMSIMIMHCGFCCD-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
CC(C)n1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cn1	95472154	SDGYOPULFQIJEF-UHFFFAOYSA-N	475.549	6.177	10	40	JKCB	
Cc1cccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(Nc3ccccc3)=NC2=O)c1	96663415	VLBGKZOJGNLORT-LFVJCYFKSA-N	450.567	5.989	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	208326706	DSBHDFOHHIJGRM-CXDFQFJYSA-N	465.594	5.078	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223386392	IMHXHPDTLZQKEC-SXOMAYOGSA-N	468.626	5.670	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223495281	KJKFBKMDBSCATL-RRPNLBNLSA-N	467.642	5.619	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223972630	BJKSACSSHNJRGP-IZLXSDGUSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224208953	ZRBPQWNPGWNIBU-UIOOFZCWSA-N	453.615	5.678	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	224353138	XGPCPTORIIOTHF-KAYWLYCHSA-N	468.626	5.929	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020019	HPRFSJUCRVOFRP-DQEYMECFSA-N	465.066	6.366	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1F	225504294	DRKBPYUQQHNKBU-KAYWLYCHSA-N	499.615	5.239	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2CC(c3c(-c4ccccc4)c4ccc(C)cc4[nH]c3=O)=NN2C(C)=O)cc1	226780715	GXEKQBDXUDZFMP-NDEPHWFRSA-N	492.623	6.047	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)c1	408799801	LILHBPGBDIQPGI-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Cl)c1	408809159	KLJFEJZESMENDA-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O	408818491	XAKDWVBDCQAZOG-CIAFOILYSA-N	464.880	5.033	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1	408902448	NUIOAAZRHYKKPM-PXLXIMEGSA-N	490.606	5.427	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=S)N1Cc1cccnc1	409143644	GPYDUOJWDRRVJM-OAQYLSRUSA-N	489.449	5.939	10	40	JKCB	
COCCN1C(=O)[C@@H](Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=S	409149836	RZJVIOAIPXMMAX-QGZVFWFLSA-N	474.406	5.129	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C2=O)c1	409251852	QOIKHQQGSJRUQV-RDRPBHBLSA-N	491.591	6.074	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	409346811	OBAAXQPVAGRSHB-DEDYPNTBSA-N	451.529	5.327	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OC(C)=O	409348520	OBXPGGWOECKZSN-VXLYETTFSA-N	463.964	5.078	10	40	JKCB	
CC1CCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CCC2=CCCCC2)CC1	1340076	CBKQWCFTFZZTKN-UHFFFAOYSA-N	458.071	6.445	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	1879456	FLQWFOISIIXUSS-PXLXIMEGSA-N	494.960	5.301	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)c(OC)c1	8821325	YDENJSYHJDHZER-QRVIBDJDSA-N	498.025	6.342	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1	8821871	LAUIRKCEUIIPBN-VXLYETTFSA-N	483.889	5.597	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)cc1	9293653	HCTSKBHOQIFYHG-CYBUCUQUSA-N	497.624	5.663	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)ccc1OCc1ccc(Cl)cc1Cl	13940649	JSWFRCJBIVCIKM-LPYMAVHISA-N	451.353	6.687	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	33684674	JICXZAGRQFSWBL-KOKPDDJTSA-N	469.614	6.447	10	40	JKCB	
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N23)cc1	35843983	QNPILTYMXWVDIB-OCBJUFRSSA-N	495.578	6.311	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	59137186	OOMQOXHLHDYRID-GZTJUZNOSA-N	472.303	6.047	10	40	JKCB	
Oc1c(-c2cc(/N=N/c3ccccc3)c3ccccc3c2O)cc(/N=N\c2ccccc2)c2ccccc12	100365789	JBSIFSXOVFONSA-FFROBNHHSA-N	494.554	9.902	10	40	JKCB	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)C1	100651417	WIMLOHBGWSTMRH-XDBZFTIUSA-N	461.558	5.337	10	40	JKCB	biogenic
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(=O)O)c1	225017440	JDAQVMFUMAFCNT-BJKOFHAPSA-N	460.603	5.102	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(O)cc1	225345252	UVJNEFXTYUUVMZ-WUFINQPMSA-N	498.652	6.159	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1	225395065	HFQZYLMSVDXHRU-UHFFFAOYSA-N	479.646	5.189	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1	260567379	KYAJDXCLKNOYNC-MNOULKQQSA-N	461.631	5.165	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccccc1Cl	260916208	HZHLDSUFUYBNFI-PUZWTLIVSA-N	467.038	5.294	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3[N+](=O)[O-])C2=O)cc1OC	408753935	OQSMZYYSIDTVEP-CPNJWEJPSA-N	476.916	6.045	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@H]4C)C3=O)c2C)c1C	408807375	CEZBKTKKVRITGH-RRYBNXFISA-N	498.716	7.765	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12	408904631	MLIPCIQSKONUQG-BUVRLJJBSA-N	452.489	5.225	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(C(F)(F)F)=NN1c1ccccc1	408969866	VVXFPMPIHNRAQH-STZFKDTASA-N	456.851	6.268	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c(C)c1	409125153	JHJYUIUJMRFAAI-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@@H]21	409173908	LBCJHNGRKKZDGO-FTLABTOESA-N	458.705	6.956	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409193535	FZCGLAUDCBEZAT-UQQQWYQISA-N	459.590	5.546	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)ccc1Br	409206647	ZIGVQUKANZCMDB-KOEQRZSOSA-N	483.409	7.384	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1Br	409327073	HMVSECSAINOFCE-DEDYPNTBSA-N	470.413	6.407	10	40	JKCB	
Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN(C)C[C@@H]1CCCN2CCCC[C@@H]12	1565520635	ZLLVABAJBJUAOJ-OZXSUGGESA-N	474.645	5.403	10	40	JKCB	biogenic
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1Cl	1854829	SBEPGSFZEWWDNS-NRARZPPVSA-N	477.438	6.170	10	40	JKCB	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccc2C(F)(F)F)C1=O	2668792	YXKZPQDXWFMYNY-BGBJRWHRSA-N	476.545	5.882	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(Cl)cc(Cl)c3)c2C)cc1	3294437	KTALRFRYWACDFY-UHFFFAOYSA-N	460.313	5.227	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1	8821881	GNVULBMZGZCXCO-HZHRSRAPSA-N	461.543	6.588	10	40	JKCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Br)o1	8854737	JVKIPYRKPLJGDB-PDGQHHTCSA-N	466.291	5.732	10	40	JKCB	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	15134720	QWRZOBQASVHVKY-BYYHNAKLSA-N	464.437	6.603	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16001316	RJDRRLWMJNDVLV-CCDWMCETSA-N	498.922	5.271	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16001506	DNKQFVMKEKZXKS-NXCFDTQHSA-N	496.006	6.389	10	40	JKCB	
CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Br)cc2)cc1	16186464	NRVUKHWBDNXCEG-QHCPKHFHSA-N	454.799	6.524	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	33670943	FJVSFUJSSTXMGT-JABSXETNSA-N	459.497	5.399	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1OCC	33697782	XBITYXXBMJUJLX-DEDYPNTBSA-N	457.573	5.368	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	35039884	GCGYULWCDHWGPB-STZFKDTASA-N	466.540	5.307	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C	41107938	ZWOPKRPTJLCKBX-KYTOZCRMSA-N	453.571	5.324	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58847034	QLUNENKMLOGPFS-YYULODDRSA-N	464.518	5.182	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	102260055	QDPCATIORLNJPG-GPHNJDIKSA-N	489.678	6.220	10	40	JKCB	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O	113831157	PKCLJOXKWMKZNX-XDHOZWIPSA-N	456.386	6.017	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208227592	HQOHBRFLXDDQSP-ICODJCHTSA-N	493.629	5.401	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C	208307459	XGXWJUAOIPAWQI-AQRZYSDFSA-N	461.631	5.247	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222875407	IFZSYVXOMKZAII-VXKWHMMOSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Cl	223097066	AUIMYDNKIIUEEK-DQEYMECFSA-N	465.066	6.448	10	40	JKCB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408571686	CLQDPMIWSJGPHN-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)SC2=S)cc1	408576215	UCWLBHHNWQWTAA-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
CCOC(=O)C1CCN(C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1	408735506	QRMNIMVESUNFHF-UHFFFAOYSA-N	495.604	6.028	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Br)cc1	408761720	BBEHQRAICQPOGA-KGENOOAVSA-N	478.302	5.200	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408766242	STFTUIHWEJLUNB-DEDYPNTBSA-N	482.721	5.845	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)c1	408809252	RDDHUPWJQMUTRX-DEDYPNTBSA-N	491.341	5.003	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl	408901213	CCMKHWDOFZOJGQ-UDWIEESQSA-N	468.987	5.852	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1	409052848	ISCUMFSIFQTTDB-ODLFYWEKSA-N	460.407	6.963	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br	409126006	KYHIHONXOWPQPV-VUVCFOEZSA-N	487.419	5.075	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1	409329338	DWFPSKYTEZZGML-XKZIYDEJSA-N	478.551	5.588	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc34)SC2=S)c1	409339507	JHGJOYCZWMUBRD-QQXSKIMKSA-N	499.682	7.547	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)cc1	409343564	HIUVWBORTKMZFP-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)o1	409352162	ZBLBFJAPZCPIFR-UUYOSTAYSA-N	490.537	5.245	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1	1023599	DYMVAORUPXJGFD-ZDLGFXPLSA-N	460.895	6.053	10	40	JKCB	
Cc1c(COC(=O)C2CC2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1	1389593	IRQUZLJYBVQISS-UHFFFAOYSA-N	477.504	5.328	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)c(Cl)c1	2305662	UYSPHHIWCPWGIF-LICLKQGHSA-N	485.845	6.267	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	2447118	CHRGOZMUFAEYQE-UBFVSLLYSA-N	471.915	5.502	10	40	JKCB	
C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCC(Cc2ccccc2)CC1	8694713	PYKVDATVUPWEGE-LTGZKZEYSA-N	484.547	5.790	10	40	JKCB	
O=C1/C(=C/c2ccccc2F)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21	8819280	LCCRESNLDKXVCC-JCMHNJIXSA-N	492.622	6.247	10	40	JKCB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(CC)CC)cc4)[C@H]3C2=O)cc1	9159889	SDFGADUTZMUCIW-FCEKVYKBSA-N	499.611	5.373	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)c2)cc1	9188725	ZTCLCHMXMHLRBU-JCMHNJIXSA-N	460.580	5.120	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	9281867	MIWUBIBQPPNIOS-JZSRTLTASA-N	490.928	5.160	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9293222	CCWBFFAKEAZBOD-YTCPBCGMSA-N	499.541	6.142	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	9310608	DLNPBABQIUJYBB-HZHRSRAPSA-N	496.654	5.555	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1C1CCCCC1	9849782	QKJHLDARGWMSFG-WOJGMQOQSA-N	459.974	5.234	10	40	JKCB	
Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(C)c1Cc1c(F)cccc1Cl	12955281	YLZOWVHKFBZGQC-UHFFFAOYSA-N	464.997	6.865	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)ccc1O	13899544	GYXLMALDBDUNSH-DEDYPNTBSA-N	450.947	5.633	10	40	JKCB	
Cc1ccc(SCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)cc1	27533922	GOZVJEBNYALUMK-OEMPCWLZSA-N	464.616	5.441	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	41108479	CZFBXLNGJDOLJX-SMTYPRMSSA-N	468.026	6.337	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1C	208242601	VERWCWNODXXKGB-YODDIOPGSA-N	465.981	5.345	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223015743	QWHCIAZZTMOZNB-XZOQPEGZSA-N	455.027	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N(C)C)cc1	223100182	SHQQMWRWWNTODQ-SXOMAYOGSA-N	473.690	5.860	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C	224267721	PFOYTAPIGYBOAQ-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1O	224400860	UFQYXXUMXRBWLJ-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	408572048	DYXIMVHSUHLWJJ-JLPGSUDCSA-N	488.634	5.668	10	40	JKCB	
O=C(Nc1cccc(Br)c1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735019	JLJRZLGTOJPJHD-UHFFFAOYSA-N	493.364	7.496	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408881722	LWUBXBWFKVFXMD-XSFVSMFZSA-N	451.309	5.251	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)c(C)c1	408882435	PBXPYQFPHJYJAS-LFVJCYFKSA-N	494.522	5.841	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1	408904542	LELLYMKZRIXMGD-FYJGNVAPSA-N	491.341	5.532	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3F)C2=O)cc1Br	408986650	SAUHZZZPVYMPRF-XMHGGMMESA-N	464.334	6.458	10	40	JKCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409011518	NQXZHBVGXJDEDP-OAKZWBAKSA-N	460.599	6.508	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409015954	SWFNZYHIKQVOHL-IWIPYMOSSA-N	474.988	6.242	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409018132	XPKUAOCXJPYKAW-RGEXLXHISA-N	498.476	6.129	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409020722	SLNYPGXRMZABPZ-QQXSKIMKSA-N	468.597	5.892	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c2C)ccc1Br	409144195	OFYFWMIRCUABGS-GRSHGNNSSA-N	463.466	6.022	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)cc1	409245165	OHTBYMLNDWOWCV-JJIBRWJFSA-N	469.610	5.395	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409250793	NZBFLQTVFBGBLZ-XSFVSMFZSA-N	478.017	5.450	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br	409339403	UZXWADWUALAKFE-RQZCQDPDSA-N	468.825	6.296	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1	843263	CAFIYRQXEQKTBX-NDENLUEZSA-N	498.764	5.176	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC1=S	1260421	OEZSEWRRFBJOJS-PXLXIMEGSA-N	451.551	5.670	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2c1	1407210	DQLLSIPMAIOTED-HAHDFKILSA-N	474.582	5.085	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=S)N=C2O)c(C)n1-c1ccc(O)cc1	1410520	CHZNHEKKRJVNDB-LDADJPATSA-N	451.935	5.125	10	40	JKCB	
COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cc(Br)ccc2O)cc1	1717332	KNWOWJNFHXYRBF-UHFFFAOYSA-N	455.352	5.197	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccc(Cl)cc1	1896024	QSGWNZVGVQFHLB-UHFFFAOYSA-N	454.020	6.216	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	4087099	HQFCJMVNIKUMNQ-PCLIKHOPSA-N	471.557	5.397	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820365	SSXFWRHSMFVSJV-MPWPSHSKSA-N	480.611	5.040	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(Cc3ccccn3)C(=O)c3ccccc32)c(C)n1-c1cccc2ccccc12	13041965	WGUULFBQUJMHLT-CEUNXORHSA-N	483.571	6.366	10	40	JKCB	
Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2)n1	13129229	HGOMOHKZTRTVPM-UHFFFAOYSA-N	496.394	6.243	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	13810422	HZWKYWNFCLRVPE-ZZMKYJANSA-N	490.987	5.773	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1	34720951	OQEXKWZGMYGICR-SNCYIGMASA-N	473.646	6.382	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)cc1	44086169	LHJJZUDIIHBCAR-UHFFFAOYSA-N	453.951	5.584	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1OC	58849486	LPLFNWRVNHXIOJ-ANSQWYIGSA-N	480.561	5.470	10	40	JKCB	
CN(C)c1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1	59104771	DDIMNGQZWKGPQL-QGOAFFKASA-N	469.328	5.357	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(O)=NC1=S	59182329	AEWQRLOLDWJVHV-NBVRZTHBSA-N	467.978	5.251	10	40	JKCB	
COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)ccc1OC(C)C	85878743	XWATWZXVEDEAFR-UHFFFAOYSA-N	463.490	5.079	10	40	JKCB	biogenic
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223059534	YJFWXPCPSDKFNM-DNQXCXABSA-N	469.054	5.460	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223349883	JPLPEWJNOWSHKG-FTJBHMTQSA-N	456.615	5.872	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223458350	SZXYFOAODGUKCM-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223795364	AKLUWWKWAMJKCU-WUFINQPMSA-N	482.653	6.373	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)nc1	223865724	SDZYGAQXOZZMGR-LOSJGSFVSA-N	455.587	5.075	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F	224013055	ZVHWHYHQPUYQTI-IZZNHLLZSA-N	486.572	5.534	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224236778	KQJAHBPBDMSRDK-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	225006663	ZQYDOFYZXCUPPV-BJKOFHAPSA-N	484.591	6.423	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)S2)cc1	408781114	AASNKEFDNJBRSD-LMSRTUJASA-N	460.603	5.215	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(Cc3ccccc3Cl)ccc3ccccc23)C1=O	408867233	KHYSPTLBRDMSSA-JJIBRWJFSA-N	480.951	6.059	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1cc(C)cc(C)c1	408869644	SQIXMABALYUGBW-PCLIKHOPSA-N	468.553	5.268	10	40	JKCB	
O=C1C(=Cc2ccc(Cc3ccccc3F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408881606	LFBUFWLCKSZKFN-UHFFFAOYSA-N	476.507	6.000	10	40	JKCB	
CC[C@H](C)Oc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	408902022	JXGAGECPQUAXNG-MDBUFAAASA-N	478.433	6.041	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	408998839	QPQCMIGJYKJGCF-FYJGNVAPSA-N	497.776	5.954	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409013116	STWCYZYFWPNNJK-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccccc3F)c12	409124123	KETVEYMHILLTNW-YTLMXASBSA-N	480.630	5.771	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409213102	SJBPKTSRFARAKJ-HMAPJEAMSA-N	470.516	6.392	10	40	JKCB	
O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409216938	MMCUXMXHPTVMMI-NVMNQCDNSA-N	487.921	5.980	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c1	409334146	VOMTYNPMDIFVEP-HYARGMPZSA-N	495.025	5.774	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C	409343535	HYQASCYYOWMJLV-JAIQZWGSSA-N	470.959	6.531	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O	1635940	WQYGOSLBZQYJFR-LHLOQNFPSA-N	468.516	5.030	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nnc(NCc3ccccc3)s2)c(C)n1-c1ccc(Cl)cc1	3322937	HSHQWPAOWZBIBX-KRWDZBQOSA-N	483.062	6.575	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@@H]32)c1OC	6176981	VVMZJLWTGKRRJZ-DPOKWSEZSA-N	480.561	5.470	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	6444767	OAFNLWWUNWOWLQ-ZFMNYDKASA-N	490.397	5.642	10	40	JKCB	
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(SCc3ccco3)c(O)c3ccccc23)cc1	8439350	VHPCHTHTJREVSG-UHFFFAOYSA-N	467.612	6.529	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1	8454098	XLQJZQBDRJJKHP-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1	8819779	KAZOAPUQEGRXRR-HKWRFOASSA-N	469.588	5.304	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1	9849610	IRHNRLGFWYNZLF-XYGWBWBKSA-N	493.625	6.615	10	40	JKCB	
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C	9949687	NUMZTYDIQIXULS-UHFFFAOYSA-N	493.677	5.200	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)c3ccccc32)c1	13685675	GKTCRXUSDIZKKW-QRVIBDJDSA-N	483.955	6.467	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccc(Cl)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	16000813	CHLPFJRWDPCCPG-VJGNERBWSA-N	497.978	5.761	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N=C2N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1	36633822	STWJYWYGVFXVAH-TWBKXSQYSA-N	487.028	6.864	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	41082865	KTMCYRRNFDHCNA-JTPDXPAISA-N	474.417	6.210	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58847130	QLBUPYQPSMSUBD-UZINWLIJSA-N	480.561	5.470	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)cc1)N2	58849115	MOPOELWNRVWZPC-OREGWCPLSA-N	476.598	5.721	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cccc(Cl)c1	59135941	RCQZNFZFIRRBSP-WOJGMQOQSA-N	453.926	5.558	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1	98086803	VCYBQZMASKZDCX-QKYYUXOMSA-N	464.612	5.101	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(N(CC)CC)cc1	102788955	HOONQNIPBWDNBM-JRPXNJEYSA-N	483.612	7.086	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c(C)c1	223560548	ATNZSBQUTWNLEC-KWJZBXMYSA-N	475.658	5.635	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223897817	KJZFZDRDKPCBMB-IZLXSDGUSA-N	497.668	5.741	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	223995738	CAGZJQJHOISZIP-FTJBHMTQSA-N	467.598	5.316	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224300704	CUKKWNFCHZOVLD-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902716	ZDHQWJIMDGRKGD-NSOVKSMOSA-N	484.644	6.731	10	40	JKCB	
COc1cc(N/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)ccc1-n1nc(C)c(Br)c1C	408528928	GILXHQXWZZUUNG-MOSHPQCFSA-N	494.393	5.287	10	40	JKCB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)c(C)c1	408575341	NWEHXOOXRPNTKJ-NDENLUEZSA-N	454.617	5.239	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1OC	408762183	NNNHHVNUXJBHTK-DEDYPNTBSA-N	481.321	5.440	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)cc1	408784619	VZIFFAOKDKUVKX-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl	408810977	QHNSULIYURJDCS-HZHRSRAPSA-N	496.950	6.047	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)C1=O	408880627	HLLBVPUVBUUJQK-JLPGSUDCSA-N	454.526	5.111	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1C(C)(C)C	408953839	QAVSUVWSODJMSU-VULFUBBASA-N	499.655	5.994	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccc(Cl)cc2)cc1	408984469	HMBGRFXLACLPNQ-LYBHJNIJSA-N	458.001	7.553	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022831	UEOUPGGDWHBDEO-ONUIUJJFSA-N	453.538	5.447	10	40	JKCB	
CCOC(=O)C1CCN(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1	409336180	SSJBOJSJERITFJ-UHFFFAOYSA-N	478.552	5.896	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC	409346209	NQDMDFLOOKZFBR-VIZOYTHASA-N	460.791	6.070	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1	2234763	BLIZIKXSRRCXCO-XKZIYDEJSA-N	461.949	5.285	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=CNc2ccc(C(C)C)cc2)C(=O)N(c2ccccc2C)C1=S	2241822	HHOCZOFSBNEJED-UHFFFAOYSA-N	469.610	6.088	10	40	JKCB	
Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1	2255074	VSDIYDIQAMJFME-BRLDDBHUSA-N	478.643	5.033	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc5ccccc45)C3=O)c2C)cc1	2394410	GCCZAKFCMPMLNS-JLPGSUDCSA-N	465.578	5.387	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2	2635187	ITIBSQRKDMYBNW-RMKNXTFCSA-N	471.431	5.281	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	2696810	UUPYQEAUWSMSDV-UZXDDYOISA-N	493.673	7.096	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C	3322462	SGHHMSFRLUILGY-AWEZNQCLSA-N	495.790	6.247	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1-c1ccc(Br)cc1	3338427	GFZNPWXUCAQISB-UHFFFAOYSA-N	481.419	5.627	10	40	JKCB	
Nc1c(/N=N/c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	6150547	SEKGXFZFHGAXJW-GPMXJGFCSA-N	469.526	6.131	10	40	JKCB	
CCOc1ccc(C2=C/C(=C/c3cc(I)c(OCC)c(OC)c3)C(=O)O2)cc1	6600769	KPVNOZVVVRLEOR-YBEGLDIGSA-N	492.309	5.079	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1	9188513	DJVPZOFIVSQMLV-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(Cl)cc5)c4C)C(=O)N=C3S2)c1	9192286	OUEYDPISRBBTGK-BDPOZWGGSA-N	473.989	5.723	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9273973	MIXXTHUAQDCPIQ-BPKMIKCLSA-N	473.524	5.778	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccccc1	9679372	VZISCRFEJZMGPG-JWGURIENSA-N	484.067	6.917	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)c1ccccc1	13881156	OBSXSUCCIJLNGV-CXTZRUPXSA-N	475.635	6.940	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1	17112860	GSLYEMVSCFRNAF-LJAQVGFWSA-N	484.688	5.343	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)c1	33775047	QHZICGSPAJZEJZ-HAVVHWLPSA-N	458.587	5.394	10	40	JKCB	
COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	33795743	LLHHOLOFRVTWOU-FCEKVYKBSA-N	493.559	5.035	10	40	JKCB	
CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100692709	VIQPEYAMIVDDQB-KMDXXIMOSA-N	499.950	5.159	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[C@H](C)CC1(C)C	208309152	CCWQMUQSRVBNBB-NXUSMQHESA-N	465.575	5.943	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1c(Cl)cccc1Cl	208663876	VGWDUNGANMVWMM-XKZIYDEJSA-N	485.392	6.663	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc21	223509358	JBPZGPNDWCCVPN-OEAKJJBVSA-N	473.642	5.545	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	223796266	OKMONYKDGJWUMV-FQLXRVMXSA-N	496.680	6.627	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224533548	SMUSXZFBQMRSJG-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224609698	BFDLIHBOOMKFNR-DQEYMECFSA-N	455.587	5.075	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408740532	BYGLMKSNZGYZLP-ZROIWOOFSA-N	471.690	6.042	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1	408752881	DAWQFSZPMWHYHC-PYCFMQQDSA-N	472.972	5.657	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1	408758172	HCPKMUBMKYOQRH-HMMYKYKNSA-N	472.953	6.176	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)cc3)C2=O)c1	408885624	DAAONJOHSBSKOP-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1	408933502	AKQTZTHZDYTBJA-IMRQLAEWSA-N	476.532	5.648	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C1=O	408937812	PAKBAINZYYMKDT-JLPGSUDCSA-N	496.950	6.047	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)NC1=S	409220629	CLIDLJXVLWINCB-RGEXLXHISA-N	464.999	5.631	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1	409226426	NUNLRLOSLYMVEF-LGMDPLHJSA-N	485.417	5.976	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1OCC	409328970	BGNLEJXKLMFWTE-ATVHPVEESA-N	470.454	5.780	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1	1168503	PQRZAUGEMRTWMM-QNGOZBTKSA-N	452.601	5.072	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c1	1777285	CZUGDVKMYZSSTB-OEAKJJBVSA-N	470.575	5.794	10	40	JKCB	
COc1ccc(-c2n[nH]c(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)n2)cc1	3326008	OQRKYWJDVXOCRB-UHFFFAOYSA-N	484.528	5.464	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1OC	8819395	PJOCCVADTNBWTM-HAHDFKILSA-N	490.606	5.211	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	8819950	OVMLCKFCZQUVDG-WDUNQMNWSA-N	490.691	5.257	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821459	CALYZXBEWPRMBG-ADFUCPMPSA-N	470.399	6.098	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1	8821689	QIACUXIXGWIIKH-ITYLOYPMSA-N	487.600	5.506	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1	9057139	SPQPMTSMRWVQGR-HYARGMPZSA-N	491.341	5.003	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1c1ccccc1	9087896	SGQYHYFKHBBQPA-HAVVHWLPSA-N	453.567	5.311	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)c(C)c1	9233865	SQGWLGVDWHLKRQ-RGVLZGJSSA-N	479.535	5.366	10	40	JKCB	
CSc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1	9730686	NWXNRDBFKRFDDG-QNGOZBTKSA-N	487.675	6.905	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	9884813	OQPFKTVTTKUKLK-NCPSJORJSA-N	488.439	5.661	10	40	JKCB	
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1	16001117	QNPILTYMXWVDIB-JBOQNHBVSA-N	495.578	6.311	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	26965505	WJSRQZAGFZOSEZ-ZXOFLVKFSA-N	470.413	6.672	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	33414022	RFHQDDJZHGCUHM-QGOAFFKASA-N	453.614	5.089	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	59959364	HMYGXYSYDKTUMU-ONUIUJJFSA-N	453.538	5.447	10	40	JKCB	
CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1c(Cl)cccc1Cl	70453892	ITRPUODJODTETC-UHFFFAOYSA-N	465.380	7.661	10	40	JKCB	
CCOc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccccc1Cl	108133230	TUCMWFJJPAVFPP-HZHRSRAPSA-N	464.974	6.400	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C	208512811	DDHBKSFSGDZXCO-DEDYPNTBSA-N	494.389	5.137	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Br	222615272	VJTKDLHFURSKNM-ARBPTSGCSA-N	467.436	5.841	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(Cl)ccc1O	223089549	BVZLQFAEVJISRT-DQEYMECFSA-N	481.065	6.153	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223539415	ZLAXQQGLWURNNX-GLFIFPSUSA-N	455.023	6.689	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223757605	OUQWUCKUPYHTBW-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(O)cc1	224368976	KNFPKADHNJEORA-VSGBNLITSA-N	482.653	6.495	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc2ccccc12	224397198	IGBPBCZIGJZBFI-URLMMPGGSA-N	492.623	6.959	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224566098	HMLBAYODLXMCTQ-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225017835	BVZITTYEUJVOGX-VSGBNLITSA-N	487.717	6.250	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1	408767055	VDBXAYKWAOUHPT-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1	408843481	NDAVNZCGCGJQJP-PXLXIMEGSA-N	463.331	5.388	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408895977	GHPPJTDHMGGKMD-ZHZULCJRSA-N	493.357	5.366	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)cc1	408966777	OAIDNYILKATINL-LFVJCYFKSA-N	480.593	5.036	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409058874	LXMQBKFPOWPTTD-QQXSKIMKSA-N	468.597	6.205	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C(=O)NC1=S	409089481	NWUOUOHSFPQXFS-HYARGMPZSA-N	492.044	6.011	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409215155	XNIZDYREWUFJBC-RGVLZGJSSA-N	497.529	5.726	10	40	JKCB	
CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O	409250854	OHJBPMATOAYRPQ-HZHRSRAPSA-N	476.558	5.456	10	40	JKCB	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409328685	ZVBVRCOOGOQQJD-VGOFMYFVSA-N	455.742	5.417	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccccc1	409339505	JGFSHQZQAKYICN-KOEQRZSOSA-N	490.650	6.136	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409341395	AJCYZRAKLXXVNI-KGENOOAVSA-N	450.541	5.943	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1	409342174	AILWDRNTZSEWJF-FSJBWODESA-N	461.564	5.709	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)c(C)c1	409375101	FOXBMIYJMLKNCX-YSMPRRRNSA-N	499.636	5.332	10	40	JKCB	
Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	2618051	DLGGXSZPSJNZST-QGZVFWFLSA-N	483.062	7.015	10	40	JKCB	
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1	2637144	AQBOPEZLCDMKTN-UHFFFAOYSA-N	470.957	5.655	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Br)cc1	8819685	RTYBIIJROCQXSJ-CYVLTUHYSA-N	489.460	5.849	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3OCc3ccccc3)SC2=S)cc1	9188749	UNVSTKNDWLVGGJ-JCMHNJIXSA-N	460.580	5.120	10	40	JKCB	
COCCN1C(=O)/C(=C/c2ccc(OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	12384089	UAYHGPVQAURMGO-DAJLKQTQSA-N	486.442	5.031	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cccc(Cl)c2C)cc1	20289125	SPRUFVNPSADWKA-KQWNVCNZSA-N	476.920	5.702	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)C(=O)N=C3S2)cc1	30684048	LLRRHTJCPQTAIF-OSZNWEDFSA-N	471.498	5.139	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1	58848475	KNIJCBMCIMLKHR-UZINWLIJSA-N	462.571	5.331	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)cc1	58848562	XKHDQMXDAZUSOD-JPYHZWLXSA-N	474.626	6.329	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C(=O)NC1=S	223515901	OHHDTTIIONPHRU-HZHRSRAPSA-N	487.669	5.799	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018115	DZELUGVIEUGTIB-NSOVKSMOSA-N	496.636	6.012	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224201339	TVHFIKZXESITHB-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	224335047	HVJQRZVKENYRKF-VMPREFPWSA-N	480.681	6.791	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C	224564960	ZYHGOOQWQQQPGR-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/Sc3nc4ccccc4o3)C(=O)O)c2C)c1C	408634050	OEUWXAVVKFLDOK-LPYMAVHISA-N	462.527	5.548	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408813265	OZKWMNWPNAGMJG-HYARGMPZSA-N	471.969	5.174	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408870370	UTVJDLDAGYAMRH-QNGOZBTKSA-N	486.534	6.118	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	408872377	MDBVJIGLXHXPFD-KQWNVCNZSA-N	480.495	5.533	10	40	JKCB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2)cc1	409003123	RDEMQWMVSJALQD-WJIXIFOBSA-N	498.608	6.459	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409133598	MOTHILDFFPOYTL-LFVJCYFKSA-N	462.571	5.356	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1	409141485	JZZSHAJQKHSJNG-YQNUULROSA-N	461.008	5.372	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409228159	UVRBVFKWSSWQNC-HMAPJEAMSA-N	489.959	5.313	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409329611	GFFKEFVRRMCNRD-YVLHZVERSA-N	477.350	6.567	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1	1153469	XVNPXCAGMSODNS-LFIBNONCSA-N	461.783	5.857	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)N(c2ccccc2C)C1=S	1252022	OLAJVRWJDARKCR-UHFFFAOYSA-N	465.578	5.543	10	40	JKCB	
O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc2ccccc2c1	1415357	CMQYXOJMBRLDEY-UHFFFAOYSA-N	464.593	6.107	10	40	JKCB	
Cc1cccc(C)c1OCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	2214752	SYAXFRVKJDOPSJ-JLPGSUDCSA-N	497.526	5.143	10	40	JKCB	
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	8820129	SKBVOXJUYXUKLL-HKWRFOASSA-N	459.036	6.049	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1	8821741	RZNDDTFZRXINGE-BWAHOGKJSA-N	490.028	5.712	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1	12414308	AHACRWOJRGTGSO-OKPNHQCWSA-N	493.562	5.150	10	40	JKCB	
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1C	12641258	SLFBMSKQGDOXJM-QGZVFWFLSA-N	472.488	5.271	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N\c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	13403844	NVBYMNFFVGBGMZ-WFLZYOMASA-N	470.510	6.254	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	14009635	LTVBMHUQRXHRPH-BWAHOGKJSA-N	488.628	5.974	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c1	15225839	FXWHBXDLUXCZHK-LDADJPATSA-N	487.364	5.483	10	40	JKCB	
Oc1c(Cl)cc(Cl)c(Cl)c1CNCCNCc1c(O)c(Cl)cc(Cl)c1Cl	19366525	LABARNRANBXRQE-UHFFFAOYSA-N	479.018	5.898	10	40	JKCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c23)cc1	19794037	OVZVZXPLDGDUBO-UHFFFAOYSA-N	485.584	5.026	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1	40007088	WHFIGGIJTCCEHC-ITYLOYPMSA-N	494.978	6.762	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(CC)C2=O)cc1	41108600	ILDAJGPWKOYHMW-AABCQZNVSA-N	486.615	5.787	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58848132	RVKJLWWSWFWLAE-BPYKYCOYSA-N	485.436	6.929	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12	59959338	IUJKKZFHLBDQDW-MOSHPQCFSA-N	464.315	5.185	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	80348160	UDCRRUXTAZKCJO-WMIGAGKJSA-N	460.390	5.676	10	40	JKCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/c2ccc3c(c2)OCO3)cc1	101408120	IJHKGGZXMPJDPK-XDHOZWIPSA-N	485.590	5.912	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2C)cc1	106688223	GKWAVCIUOLNQDV-UQQQWYQISA-N	488.609	6.288	10	40	JKCB	
O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	208695114	QRZAEIWSTVBMRU-QRVIBDJDSA-N	461.949	6.565	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	214111892	CCCCSCMQUGBVMF-RGVLZGJSSA-N	491.827	7.291	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	223389794	BGTGHYKOOCDXNN-SVBPBHIXSA-N	482.609	5.391	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21	223488689	RFABYGMQGSNCKX-LDADJPATSA-N	498.410	6.070	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N(C)C)cc1	223539187	OHRBYQSJHLBMRC-KAYWLYCHSA-N	482.657	5.123	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1F	224602521	PSMLQJXJYFAQLK-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccn1	225337993	SJTSVJLYQSCUQI-KAYWLYCHSA-N	483.641	5.848	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	260917932	KBOOKPSUZMVKNS-DQEYMECFSA-N	456.615	5.596	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C(\Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)c2C)cc1	408633926	NORBREMFPMDBMM-BKUYFWCQSA-N	464.978	6.059	10	40	JKCB	
C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3ccc4c5c(cccc35)CC4)[C@H]2C1	408737864	YUZUGHMRVZATQJ-QQWWTIMBSA-N	457.661	8.233	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1	408760770	FTRDXKXLNUUQOQ-DEDYPNTBSA-N	472.169	6.590	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408869792	UACFNEKZCNTWNT-QGOAFFKASA-N	485.754	5.904	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)c1	408874904	FCQJLXQVPGTZJE-OEAKJJBVSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)c1	408891927	FNDBUDUUUQLFQG-LFVJCYFKSA-N	494.522	5.841	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1	408902363	NFWLFUNLZYPCCJ-HYARGMPZSA-N	461.359	6.143	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br	409015873	CDCREVJVIVYJKT-LZNAANCOSA-N	487.419	5.075	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccc(OC(C)C)cc3)c3ccccc23)SC1=S	409130805	NKNHWDAGHXFKGC-MYYYXRDXSA-N	494.682	6.365	10	40	JKCB	
CCN(CC)C(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21	409148818	SDEDPXUSFPEHME-JCMHNJIXSA-N	469.676	5.291	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)c1	409231365	CKPQGHGGMBBQAP-WJDWOHSUSA-N	471.365	5.702	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccccc1F	409351343	TYIQPZZHSVITAR-MTJSOVHGSA-N	473.953	6.603	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(O)=NC2=S)cc1	2361811	JUIKIBUXGHPOLX-HYARGMPZSA-N	479.989	5.818	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccc2c(c1)OCO2	3390187	SLHYZMDYDZJGEA-CQSZACIVSA-N	451.544	5.049	10	40	JKCB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9237023	IIWYXGHQSGLIAL-DSNGMDLFSA-N	483.951	5.337	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(Cl)c(C)c4)c4ccccc34)C(=O)N=C2S1	9730816	GTDOCJVAJPKGTD-HGEMSSTASA-N	492.004	5.711	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(F)cc1	9805434	PYUDPIQWRANGLA-XYGWBWBKSA-N	493.625	6.772	10	40	JKCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	20103093	MHGSFWDNHMWABP-HFTWOUSFSA-N	467.569	5.038	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Br)cc4)cc3[C@H]3C=CC[C@H]32)c1	58848327	BWVWSZLDHQZUDE-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
COC(=O)c1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484789	OCNNFOMNMDUXAV-XIEYBQDHSA-N	490.515	5.518	10	40	JKCB	
Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1	106708042	BNXMNWTVGOTEPO-JAIQZWGSSA-N	453.903	5.843	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1	106724547	QTMSAJTZCTUWCU-BKUYFWCQSA-N	467.388	6.093	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222971934	MFIFOULBFQWKRU-DNQXCXABSA-N	469.054	5.924	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	223387326	OVYQXQGMOWRHLM-CLJLJLNGSA-N	482.609	5.360	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1F	223459718	CZAACFCQLXYFAH-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224241051	DFRFKBURIWQRCQ-FTJBHMTQSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1	224433134	ZODGCJNVCWRSLD-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224607294	VYIGAWYTMXSSJX-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(F)cc1	224869357	VIRQAKBXHBSAQR-JWQCQUIFSA-N	493.007	6.164	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1NC(C)=O	225332439	ITUGHGPYMMGWJM-SVBPBHIXSA-N	497.624	5.325	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Br)cc1	408737349	CHJSMZOKEIYPCU-NBVRZTHBSA-N	481.187	6.683	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Br)N1c1ccc(Cl)cc1	408765556	YQAKHVBMOZOHAO-LFVJCYFKSA-N	487.784	7.090	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12	408908070	ARSBBMUQRNTCGQ-BUVRLJJBSA-N	466.468	5.224	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409021829	AVNNKZXVZNIVQC-JLPGSUDCSA-N	469.537	5.460	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1cccc(Cl)c1	409090153	LQUAKEYGOFWFEH-UUMRFZBWSA-N	490.046	5.698	10	40	JKCB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)cc1	409182746	NMRQYWDEIDQHJR-XKZIYDEJSA-N	490.537	5.191	10	40	JKCB	
O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1	409336650	UNMUWYGFGMYWJV-OAQYLSRUSA-N	468.560	7.111	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2)cc1C	409347895	NKKCZCPCIYNHTG-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cc(Cl)c(OC)cc2OC)C4)cc1	2113701	UMHOFLPDKWXWBR-UHFFFAOYSA-N	479.916	5.496	10	40	JKCB	biogenic
Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)s1	2618050	DLGGXSZPSJNZST-KRWDZBQOSA-N	483.062	7.015	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1	8821099	IFUVHZDJNICCMJ-PXLXIMEGSA-N	462.531	5.783	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)cc1	8821528	HLNCUYJNJQLLRE-RGVLZGJSSA-N	484.942	6.117	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3cc(C)ccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9012513	YWVAKEKOPYBZNG-FCEKVYKBSA-N	477.560	5.416	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S	9232451	TUTGCRZHKNJJFO-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9293287	JWKMQLJXXKQYJT-DZCSLESKSA-N	494.407	6.068	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	9427702	HUUAASMPVVZRKT-DTKRNKINSA-N	498.718	5.267	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)ccc3OCCOc3cc(C)cc(C)c3)SC2=S)cc1	9553958	KDESQDGNUJVZFS-ONUIUJJFSA-N	489.662	6.784	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1c(OCc2ccccc2)ccc2ccccc12	33683652	OHFCIDCAQHATKO-XYGWBWBKSA-N	470.981	7.155	10	40	JKCB	
Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2CC(C)C)cc1	44085823	RRPMBNUWLYSIPL-UHFFFAOYSA-N	458.425	6.008	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847367	GQUHQQZNHKNQAQ-GLDPYIMESA-N	454.954	6.106	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1F	113831240	LRXNAAMLULDZHM-WSDLNYQXSA-N	496.541	5.727	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222620097	JLMHWRINDACEPP-WADWEFIESA-N	453.011	5.740	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223540207	KGZOFCLTOOLVKP-GLFIFPSUSA-N	498.048	6.127	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223757184	VBYVRUSZZBYILD-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1	224035031	RVQWBPNSKLNQGV-FTJBHMTQSA-N	484.581	5.095	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224237070	OWFCXQZCORVUQW-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371137	AGUZVAUXVBJKOZ-IHLOFXLRSA-N	494.708	7.406	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	224798587	IYXKURUIJGAGTP-IZZNHLLZSA-N	485.613	5.078	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1C	408575999	PENHQWJCGCIFBO-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
Cc1cc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)c(C)c1	408577262	SDDVSGNQQPTZOX-NDENLUEZSA-N	454.617	5.239	10	40	JKCB	
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccccc1	408631745	BMBMIGMZOPDBLC-MOSHPQCFSA-N	451.935	6.015	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	408640587	JMQLYBRXFAUFLB-LJQANCHMSA-N	467.481	5.532	10	40	JKCB	
O=C1/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)SC(=S)N1c1ccccc1	408727406	WMSALYCHHFWQJY-YTARVMJOSA-N	451.960	6.867	10	40	JKCB	
Cc1ccc(N(C)C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C	408735454	QCBFNSFJNXRMEL-UHFFFAOYSA-N	473.601	7.506	10	40	JKCB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)cc1	408754051	DBNLORJUSCNETK-XQNSMLJCSA-N	455.554	6.298	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)S2)cc1	408787957	BIMSJKQRXGWQRW-IZBTWGKQSA-N	472.441	6.563	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	408812602	MEASCKJRYRRIBW-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc([N+](=O)[O-])c1C	408970222	CWBHIMFAVWHGPS-PDGQHHTCSA-N	455.392	5.820	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)NC2=S)c(C)c1	408992297	RJSSGFYNFZYOFJ-FOWTUZBSSA-N	491.619	5.489	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc4ccccc34)c(OC)c2)NC1=S	409008043	VDUKOGNSHXGPMO-NDENLUEZSA-N	497.414	5.267	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1	409018614	XIRXJPAYHTUEIZ-YZSQISJMSA-N	485.653	5.885	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409060803	YEACOASQYINBMZ-HAHDFKILSA-N	458.533	5.727	10	40	JKCB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cc(Br)c(OC)c(OC)c1)N2	409161762	AVXRBUSIYVGDMW-QHRIQVFBSA-N	478.770	5.733	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S	409205178	GDSUIUJHFWMYCC-CIAFOILYSA-N	489.449	6.528	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3cccc(C)c3C)c(OC)c2)SC1=S	2874252	IGNFJEUZFLOPEW-STZFKDTASA-N	492.062	6.034	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CCC4=CCCCC4)C(C)=C3C(=O)OC)c2C)cc1	3652183	RSEKTZFPVZTZKD-DIBXZPPDSA-N	488.628	6.056	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1	3765863	ZVWMUQVEXXVDFI-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
Cc1nc2ccccc2nc1-c1ccc(/N=[N+](\[O-])c2ccc(-c3nc4ccccc4nc3C)cc2)cc1	3954087	DFQPITYGXWWMAR-KXYMVQBMSA-N	482.547	7.450	10	40	JKCB	in-vitro
Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(/N=N/c4ccccc4)cc2)C3=O)no1	8417732	DUKSGVLTGHSXNG-BYYHNAKLSA-N	451.442	5.451	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2Cl)C1=O)=C\c1ccccc1	8833881	WFICXOPQFHOTPM-GEZYKDBCSA-N	457.020	5.906	10	40	JKCB	
CCC(/C=C1\Sc2ccc3ccccc3c2N1C)=C\c1sc2ccc3ccccc3c2[n+]1CC	9354803	FKVGNLBJQQFOKE-UHFFFAOYSA-N	479.694	8.392	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c1	9424082	GQNPPPQSWYPHEY-QJOMJCCJSA-N	493.654	5.566	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)c1	12628725	BTFOKQXMTZYLLF-HMAPJEAMSA-N	467.568	5.147	10	40	JKCB	
COc1ccccc1N1CCN(Cc2c(O)c(C(=O)Nc3ccccc3C)cc3ccccc23)CC1	13098145	MRHMZFREKKENSH-UHFFFAOYSA-N	481.596	5.437	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	15188089	UIUUKNPPJKXXOP-VVZHRXSXSA-N	499.479	5.369	10	40	JKCB	
Cc1cc(C)c(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)c1	19793911	PDXWDUPWNDEVGY-UHFFFAOYSA-N	461.480	6.221	10	40	JKCB	
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	19995338	ZGLZHFZPVLWTPD-ZEAYLUBASA-N	490.588	6.025	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1C	33387900	HFJZVFBAOIYDTN-IWIPYMOSSA-N	461.608	5.984	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1	33399425	OIJAKBJHWDVIGK-HAHDFKILSA-N	492.578	5.767	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	33531736	ZNQPKHXYEOYZEI-DDSBZIKFSA-N	471.561	5.518	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(Cl)c5)c4C)C(=O)N=C3S2)c1	34762592	XXLCEJOZTNAURI-CJSRDQHASA-N	473.989	5.723	10	40	JKCB	
CC(C)c1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1	59859530	MRYIPKIPQIIBKA-VULFUBBASA-N	468.597	6.785	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(C(C)(C)C)c1O	96505145	CHVRDYAYCUNPCI-YBFXNURJSA-N	494.509	7.700	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc21	208467908	AXLYQRPXUZJPCL-JJFYIABZSA-N	496.032	5.955	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	223372671	ZIDCAKUADNDIJK-CLJLJLNGSA-N	454.643	5.886	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223392316	KZSPFHXPKOJEIQ-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223405671	AMJYVAPGMMBTDX-SVBPBHIXSA-N	496.636	5.448	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223795486	ZSTZUFYAGDFBDO-NSOVKSMOSA-N	482.653	6.373	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	223846537	KBOOKPSUZMVKNS-JWQCQUIFSA-N	456.615	5.596	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	223880610	VHZSSTGDOBVCBK-CSYCHJTNSA-N	487.669	5.941	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224239010	XPWSMJRFVFFNDX-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224470535	KHUMUYXIFFVCOB-DQEYMECFSA-N	474.033	6.023	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019608	OQBOHKMKPZYFIK-RPBOFIJWSA-N	491.617	5.321	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1	225669665	HRIJWSUGVKTIEN-CABCVRRESA-N	466.876	6.386	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	260569311	PIRBHCODDKAMAY-SVZNOHIVSA-N	465.981	5.507	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O	260569856	SQCXOJGGDDJZCS-ZDFMGPMUSA-N	450.988	5.050	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Oc2ccccc2)cc1	408550812	KBWFWPHTFIZYCZ-AQTBWJFISA-N	467.909	5.015	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C=C(c4ccc5cc(C)ccc5c4)OC3=O)c2C)cc1	408754754	IBMTTZHCSSZKEW-PKAZHMFMSA-N	477.560	6.714	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	408775295	PCWPKBAMPMLTNB-JLHYYAGUSA-N	499.335	5.280	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccc(C)c(C)c2)c1	408801105	SWRCJUNLXBJADE-FSJBWODESA-N	490.943	5.211	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)c1	408804075	VMGRIUHZHUOYNB-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1Cc1ccccc1Cl	408869045	QLEBSCDDFNUOIY-HZHRSRAPSA-N	488.971	5.558	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(C)cc1	408901467	FNANVWARWHNHRR-LPYMAVHISA-N	491.385	6.151	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(C3CCCCC3)C2=O)cc1Br	408987301	WCEKZGDFNMAWTP-HMMYKYKNSA-N	452.392	6.447	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)NC3CCCCC3)c12	409124603	AZJVONFUQHSRQK-XKZIYDEJSA-N	483.703	5.510	10	40	JKCB	
CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Br)cc4)cc3)c2C)C1=O	409168333	QLIYXQBZTVDYBT-OEAKJJBVSA-N	494.389	5.348	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O	409330611	LBIFYUWZNGEZHV-LICLKQGHSA-N	466.447	5.976	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC)C2=O)cc1C	2238074	VCZMLFJQWBKQLU-KQWNVCNZSA-N	477.655	6.248	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCC)cc2)SC1=S	2251178	RAODBXQNQUYOKQ-QNGOZBTKSA-N	465.669	6.263	10	40	JKCB	
Cc1cc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	3246280	LDLRHWFOHDNFJY-UHFFFAOYSA-N	498.026	5.764	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	9192092	UEAUOHYUNQNQFY-BIRLBKGPSA-N	461.635	6.273	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)SC2=S)cc1	9232540	OPJRFBIFOBDQOQ-OVVQPSECSA-N	496.657	6.891	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15999075	RSPFGXULXYEQBE-AWCRTANDSA-N	499.541	6.142	10	40	JKCB	
O=[P@@](c1ccccc1)([C@@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1	16490963	VACSDOJFRUDLQZ-IADCTJSHSA-N	477.383	5.729	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1	41076368	HDVXEFBWSGFYMB-JLFKZYKSSA-N	493.545	5.453	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	41108096	SJCSNXQWRZUROF-MSYYJCCKSA-N	467.598	5.632	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139084	SAIWJHMYJYIWNY-PTGBLXJZSA-N	455.514	5.162	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	205688370	SMUVRTVWCAHKRG-CIAFOILYSA-N	467.934	5.892	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223534870	FGFPSCSNLTVDLQ-SVBPBHIXSA-N	467.642	5.619	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224204666	SVLHOIUBKUDXRP-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2Cl)C1=O	408723321	TYZVONDLKQLMHF-SFQUDFHCSA-N	471.365	5.377	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(Cl)c1	408803614	RGLKVYBOFPJTEO-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1	408814329	OYNUAIHGFAYZLU-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)c(Cl)c3)C2=O)cc1	408987434	XQNRRYKUOQZESS-QGOAFFKASA-N	454.328	7.003	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1	409076344	AVYONBJOQYPFEV-BWAHOGKJSA-N	499.397	7.407	10	40	JKCB	
CC(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409107487	WCQZAWDKBHHFLP-OEAKJJBVSA-N	476.598	6.607	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O	409224003	IDDHHBRUZZGGRU-QGOAFFKASA-N	479.330	5.246	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)NC1=S	409232874	CABGEIDFERBUGK-KQWNVCNZSA-N	483.568	5.222	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1	409340270	TXDNRSXOVWWNNZ-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O	409345305	LIHUPYVMFGSIDH-WYMPLXKRSA-N	478.683	6.119	10	40	JKCB	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(Cl)cc2)cc1	2596377	PNVBTIVMIKZZBY-UHFFFAOYSA-N	451.935	5.282	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	20168311	SZMKHYLMFCQDMN-MSOLQXFVSA-N	463.640	5.974	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	26965513	WJSRQZAGFZOSEZ-GNUZOCDUSA-N	470.413	6.672	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1	27833389	FHPVJYHQNZNQBP-YTHUBWHMSA-N	493.567	5.805	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	41076326	RUENYGAWEWDUIK-ZYPMEOEISA-N	473.577	5.452	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCc4ccccc4C)c(Br)c3)C(=O)N=C2S1	41083675	KNOIRSXOUFXEEU-ALRRYEELSA-N	468.376	5.503	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58847383	JKPCVOHQDCLHCJ-YZUZCNPQSA-N	471.409	6.621	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(N(CC)CC)cc1	102649927	AAZRSLQVDVLBOU-BNHRFMORSA-N	493.651	7.493	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1	107851095	ZWYGYBCTKSTZMJ-WQRHYEAKSA-N	483.749	5.143	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C	208225891	DQEYEXWVWFEVKR-RIWZNOJBSA-N	463.603	5.392	10	40	JKCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222785981	KCBKNAYOLKNBSC-NHCUHLMSSA-N	455.425	5.244	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc2ccccc12	223264425	HOCVMXMCHORLDE-KAYWLYCHSA-N	469.658	5.176	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1	224320655	PQKVNTXZPYUFHW-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224601481	VURZWBXPHSECNQ-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1F	224897509	DPOIJDKSZRSZPV-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224900697	GYXBEJKTODOOOX-KAYWLYCHSA-N	486.616	6.122	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c([N+](=O)[O-])c1	225019809	UFTDMRGRHJSQSE-LOSJGSFVSA-N	491.617	5.321	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)N21	260778145	RDWDLYKGGMOHKV-LEOXJPRUSA-N	470.564	6.487	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)SC2=S)cc1	408530275	JXULIMVWVNTGRD-JCMHNJIXSA-N	492.647	5.701	10	40	JKCB	
CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	408540221	OTBUKFDAKMBBSN-CYVLTUHYSA-N	471.351	5.075	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)cc1OC	408759647	IQADLZOYVSIMAM-XSFVSMFZSA-N	488.996	6.715	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1	408869438	PJKOUBASZHXISH-PCLIKHOPSA-N	472.972	5.776	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	408901463	FKTMGKOBDABFFW-RGVLZGJSSA-N	455.316	6.518	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O	409335095	YRHIDRDNJUPYSR-VIZOYTHASA-N	456.770	5.223	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1	2226042	UDCGTJBSRPVNNA-AYQSFACRSA-N	491.591	7.018	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S	2362457	KLJJNVXPVXPSEV-UCQKPKSFSA-N	477.655	6.104	10	40	JKCB	
CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2383258	QAHXQEOLADCIJB-DICHSLLOSA-N	451.551	5.958	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCCOc1ccccc1	9137101	NMFFVZNJIRAABO-RGEXLXHISA-N	464.008	5.418	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccc2Br)C1=O	11859676	HUNXZDZPSMLBQK-JOEZZVDMSA-N	473.417	5.235	10	40	JKCB	
Cc1cc(OCC(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)ccc1Cl	13126203	JFJTUFYSZPQGTQ-UHFFFAOYSA-N	479.882	5.880	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)c2C)cc1C	14358912	RPTKCJKHUODNPN-UHFFFAOYSA-N	492.644	8.008	10	40	JKCB	
C/C(NCCC(c1ccccc1)c1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288014	XDGRCSZRZFKYKC-WMMMYUQOSA-N	489.594	6.662	10	40	JKCB	
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1Cl	33749201	VRHXXSKFOWMRDS-UNOMPAQXSA-N	469.324	5.042	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2)cc1	38206497	YGHXVXXJGKPDOA-SYEDWJKBSA-N	498.564	5.464	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3ccc(Cl)cc3Cl)C(=O)N(c3ccc(C)cc3)C2=S)cc1	59484921	XDNOLNQUJSCZSK-UHFFFAOYSA-N	481.404	6.359	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Br)cc1	222921044	NIZNQZTWOJVANA-DHIUTWEWSA-N	483.479	5.880	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223534013	WAOLXRVNRNOPEQ-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1C	223610213	YREBZOAFDKVICW-PGLVWIQMSA-N	489.685	5.944	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223722943	YUFDCMYQMYOWQS-DNQXCXABSA-N	483.037	5.068	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223796886	AQGGLMSKDGAWFD-SXOMAYOGSA-N	486.616	6.204	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224220694	KNSWXVBGLVYJGI-KAYWLYCHSA-N	496.636	5.761	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1OC	408766769	RPHPXGGAPFPJIO-DEDYPNTBSA-N	481.321	5.440	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2Cl)c1	408843496	NHWBSGLGUHFRGH-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)c1	408876404	OJAJBYCMXWZBGQ-KGENOOAVSA-N	465.336	5.559	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1ccccc1Cl	408885170	XKVJMESWHCSALP-RGVLZGJSSA-N	495.362	5.568	10	40	JKCB	
Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1	408946471	AIGGSCWNNSDPIA-LGJNPRDNSA-N	468.597	5.746	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1Br	408986244	OYKKBTRVWNEACP-XMHGGMMESA-N	462.343	6.025	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1	409002878	XBNBIQLCNLELOJ-YDZHTSKRSA-N	469.928	5.318	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)cc1	409331275	NNQVWPQZTZZQRX-YBFXNURJSA-N	471.943	5.713	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC	409362814	STDAFERDVJYQJA-GRSHGNNSSA-N	495.981	5.226	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S	1669952	LTNSZPRVAKDTEJ-OCBOALCKSA-N	484.429	7.398	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	4003812	BMLYQZRREWZKLB-LZCXECNNSA-N	490.581	5.329	10	40	JKCB	
COc1cc(/C=C2\SC(N(C)c3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(F)cc1	6148164	PEGBBXGWPWKEFH-UCQKPKSFSA-N	464.518	5.226	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1OC	8431414	LADSBEZFWSUKCX-NTEUORMPSA-N	480.156	5.035	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	8454085	NYGFCPWQKADYCU-YIIWZEITSA-N	482.023	8.297	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9309002	WBTDUFZWNHXNEQ-NUSWOBFYSA-N	477.952	5.554	10	40	JKCB	
Nc1c(/N=N/c2cccc(/C=C\c3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	13403811	CRCOCKHORNPKSY-NLPQLXLISA-N	469.526	6.131	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	13659661	NHGVFNCUPITEQG-MNDPQUGUSA-N	465.600	5.268	10	40	JKCB	
Cc1cccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1	13941884	VBGHVAKODOYGCI-ONUIUJJFSA-N	484.646	6.430	10	40	JKCB	
Cc1ccc(Nc2cc(N(C)[C@@H](C)[C@H](O)c3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	16040209	LYVPVJUAXBUHNB-SLQAJWMNSA-N	489.575	6.650	10	40	JKCB	biogenic
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(Cl)cc1)N1CCOCC1)c(O)c1ccccc12	24102778	KGVORNGMQAKFHL-DEOSSOPVSA-N	479.960	5.852	10	40	JKCB	
Cc1cccc(Cn2cccc2/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1	30713745	GHYNXEFISJZMMD-TUKHXMGSSA-N	471.611	5.355	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl	35109031	MIDHINXNIOFXSV-GRSHGNNSSA-N	499.350	5.051	10	40	JKCB	
COc1ccccc1-c1c2oc3c(O)c(O)ccc3c2nc2c1c(O)nn2C1CCCCCCC1	95476325	APVNLGIRVXGZGD-UHFFFAOYSA-N	473.529	6.409	10	40	JKCB	
CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	100148048	WNBHSOIWLGQSOX-YVLHZVERSA-N	476.703	6.621	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)o1	107994910	BKNMSXSOGYDTTR-SRZZPIQSSA-N	484.961	5.672	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(I)c2)SC1=S	108161571	WRQMPBNSYWFJMY-BOPFTXTBSA-N	481.380	5.091	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1	223497005	KHICGZJHLQVOOH-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=S)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223613542	ABUDAKCPZDJMOI-PVFDWLMNSA-N	450.673	6.901	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864074	KYWNCCDCCNGWQR-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(=O)O)c1	224605482	HKXOCOKTVGYSCK-DQEYMECFSA-N	484.581	5.070	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1F	224897340	OOXWECZQOPPLII-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)C1	225587056	KLFNXOAMRCSMFZ-WOJBJXKFSA-N	472.048	5.805	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC	408814509	PLXOKNGAAUHCRO-NTUHNPAUSA-N	483.735	5.111	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)c(C)c1	408901062	ZTLVUQJLBGPEAU-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)cc(I)c2O)SC(=S)N1c1ccccc1	408962540	SVTRECWTJLDFBO-NTUHNPAUSA-N	473.744	5.056	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc1Br	408983267	ADIIJFCTKSEGKT-CPNJWEJPSA-N	480.789	6.973	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409064401	CISKRWYEYIIDON-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)c(Cl)c1	409142669	CRVSSVCLSHWRFL-ODLFYWEKSA-N	472.950	5.594	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)c2ccccc2n1Cc1ccccc1	409329349	FGNDTHPYZIHTIH-HMAPJEAMSA-N	489.647	5.606	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)SC1=S	409333530	UIHKKMMENFIYLL-XYGWBWBKSA-N	470.619	6.412	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	409344743	GUVZLDGYSWTAJK-HAHDFKILSA-N	496.654	5.555	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)C1=O	409345458	IVQDZNHJBJQNLK-WSDLNYQXSA-N	493.456	6.865	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1O	409350868	SMPSCYVMWYPSOK-NVNXTCNLSA-N	470.797	5.613	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCCCCC(=O)N1CCCc2ccccc21	8820011	FEINUZZKWDMLBI-KQWNVCNZSA-N	494.638	5.156	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N=C2S1	8916669	YFNGADJCECJXHI-JDEOPTGGSA-N	496.423	6.416	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1	9933391	PQXQOOOZJKYLMT-LTGZKZEYSA-N	464.477	6.335	10	40	JKCB	
COc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	11615523	HCZVUFFXSKSVJU-UHFFFAOYSA-N	459.774	5.035	10	40	JKCB	
O=C1N=C(O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl	13748631	LZAAEPPYAWZCHI-XMHGGMMESA-N	492.362	5.427	10	40	JKCB	
COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1	13800903	JWAZAXJERXJCGI-SUJAKXCHSA-N	497.576	5.457	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(O)=NC(=S)N1c1ccccc1F	20495244	UGJBMKAXFAWNKR-GXDHUFHOSA-N	471.853	5.319	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1	33600947	GCOGAXMQZWPFNY-HMCBYUHISA-N	473.989	5.723	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)N=C2S1	41083090	PDFQNXRBKOLWFD-TXMBEXJYSA-N	460.481	6.165	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)c1	59104341	UUGPDPSEIAKFSO-GZTJUZNOSA-N	472.925	5.431	10	40	JKCB	
Nc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1/N=N\c1ccccc1	104090909	WRLDGNLIKXZOFS-ZUELCTOOSA-N	473.522	5.273	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCCC4)cc3OC)N21	222680518	YFQWSTHRLJQINO-PKKBDPGCSA-N	452.624	5.069	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(F)cc1	223384203	DDLVABGFZHGEKG-UIOOFZCWSA-N	456.590	5.801	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224237744	MPTWIVACPZDASI-WUFINQPMSA-N	481.669	6.041	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C	224270434	VTBKELFVBABMJH-WDYNHAJCSA-N	495.696	6.349	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224538337	XKEWVRRMPAJOIV-DQEYMECFSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1	408578371	XUQFWVIQAYGAFM-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1	408741037	NODIDSVZMJYQED-UHFFFAOYSA-N	467.569	6.194	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1	408761855	HKZKIFJFWUARJM-YBFXNURJSA-N	481.733	5.666	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)c(C)c1	408798416	DYRLCDUEPQJXGT-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2cccc(C)c2)c1	408810179	LQJAAXBWCNWRDB-WSDLNYQXSA-N	490.943	5.211	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	409043388	FCZICCZBFVSGDJ-NHDPSOOVSA-N	496.481	6.828	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1	409338717	OXJBEWRWEOFOIR-HAHDFKILSA-N	471.559	6.292	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2453521	XHKPDCUZMCTPBC-CYXNTTPDSA-N	496.006	6.389	10	40	JKCB	
Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2c1	9310312	FTCCFISUCYYKSV-HYARGMPZSA-N	485.590	6.766	10	40	JKCB	
CC(C)(C)c1cc(/N=N/c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(O)c(C(C)(C)C)c1	12289869	VYQPOLAAMKQLLT-QVIHXGFCSA-N	491.657	7.154	10	40	JKCB	
Cc1ccc2nc(-c3ccc(NC(=S)NNc4c(Cl)cc(Cl)cc4Cl)cc3)sc2c1	12530264	AQRGNGZEKJWJEZ-UHFFFAOYSA-N	493.872	7.545	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1	14011193	KYDIALMWTSAEFZ-WOJGMQOQSA-N	464.861	5.422	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(C)cc3)C2=O)cc1Cl	17058399	DZDKVMPYFSXVPX-XSFVSMFZSA-N	479.920	5.044	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	26531958	HUUAASMPVVZRKT-LKYDJBJFSA-N	498.718	5.267	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)c(OC)c2)SC1=S	26967605	LUUMIZUKMPKEBE-NGMLOMSUSA-N	486.442	5.413	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)o1	39127373	QSKOWEAUWYARPW-QJOMJCCJSA-N	473.598	5.491	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC	58845863	VPGGHQLZESXBRB-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
CCOc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C	208772302	NISCROGKIHEKML-MHWRWJLKSA-N	464.157	5.416	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4C)c3C)N21	222702604	IZCRQVOWEXIXPZ-CTUHWIOQSA-N	451.039	6.430	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c([N+](=O)[O-])c1	222926394	UWKMOMOOUQCPCB-ZEQRLZLVSA-N	479.606	5.034	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	223309302	XEDXPUZUWVOZRF-TUACAJSNSA-N	467.038	5.294	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(=O)O	224168031	CKLUPHBHWIOTDX-RPBOFIJWSA-N	468.582	5.364	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224267129	YWKCVOCLVJICPT-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224334303	CDPBQSRODVWMAV-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)nc1	225349423	FWHBRRCEKIDQFA-IZLXSDGUSA-N	497.668	6.157	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	408575505	MCVKPNSRBVZELW-JLPGSUDCSA-N	488.634	5.981	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4)c3)SC2=S)cc1	408575922	OVONXTJTTRJTGF-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1OC	408586213	LYDDMGSNNBJFCQ-YBEGLDIGSA-N	462.329	5.278	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1	408984623	IQVMBTWYDCEXPO-QGOAFFKASA-N	481.335	6.772	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Br)c1O	409031084	GNOWSHKPQAOFHA-RUDMXATFSA-N	491.210	5.055	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1	409039662	XCOGKJRXZRQNJO-JYRVWZFOSA-N	477.345	5.665	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1F	409074513	MLEPOALHFKPBGB-ZVHZXABRSA-N	457.480	5.369	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c([N+](=O)[O-])c1	409198882	ADHOEKDCAZHPCO-ODLFYWEKSA-N	467.484	5.477	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409248853	RRKCTESFXNXFKE-QGOAFFKASA-N	485.417	5.976	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1	2995676	WAQBZLWQIHVCOX-LFIBNONCSA-N	451.231	6.602	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821456	CDIZJBIKYIPLIR-VXLYETTFSA-N	490.389	6.666	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	9076152	PUWHSWLGZDUAMZ-FHAGJXEFSA-N	470.481	5.427	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	9159568	NDRANGCRCSUIJM-QKDODKLFSA-N	463.533	5.108	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N=C2S1	9191735	FUFHFONDQRHOKC-JNMYDYDMSA-N	498.450	5.912	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	9233060	DPRAKBBULSGVEL-LPYMAVHISA-N	469.990	6.772	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1	9309719	AAZVGZSEQGMARL-KXYLLZDBSA-N	493.633	5.701	10	40	JKCB	
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	13129069	KAJBDEDCBNSCRM-UHFFFAOYSA-N	491.931	5.010	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1c2ccc(F)cc2CC[C@@H]1C	13562265	BIJXRJJVTCCWPG-KRWDZBQOSA-N	472.029	6.459	10	40	JKCB	
CCN(CC)Cc1cc([C@@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	17061432	FICSZXSNUUGUNN-HHHXNRCGSA-N	465.615	5.330	10	40	JKCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)ccc21	33581123	OKRFMXLVOAFMMZ-RGEXLXHISA-N	468.351	5.118	10	40	JKCB	
O=[N+]([O-])c1ccc(N2N=C(c3c(O)ccc4ccccc34)C[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1	33917221	ZORWRFJHNOZPGZ-JOCHJYFZSA-N	488.887	6.371	10	40	JKCB	
COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1cccc2ccccc12	58865691	GYCCFSLRQPHJNL-UHFFFAOYSA-N	458.510	5.571	10	40	JKCB	
COc1cc(/N=N\c2cc(Cc3ccc(N(C)C)cc3)c(N)cc2N(C)C)c2ncccc2c1	100680705	BTDQKVAGLWNJLK-KTMFPKCZSA-N	454.578	5.964	10	40	JKCB	
CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	103869768	WTQHTGNCUZSUPS-MUUNZHRXSA-N	465.597	6.859	10	40	JKCB	
CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O	106742642	GEYFYWXAISFVJP-IUXPMGMMSA-N	453.347	5.000	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1C	223312737	XEGNQTXGSNVQIH-MZBJOSPHSA-N	460.647	5.257	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223610122	BSYDGEBDXGKTJN-WQZUMXOESA-N	489.685	5.944	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366362	IVJVIVNJNUHGNB-URLMMPGGSA-N	480.681	7.098	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2Cl)c1	408814642	VWULQVLJPLLTFJ-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	408817192	ZYAFPMNLSHWBPI-KOEQRZSOSA-N	478.504	5.094	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2)c1	408852231	FARCXXSPFQXNFY-CPNJWEJPSA-N	497.403	5.712	10	40	JKCB	
CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	408936545	KYCDPKVIHWVNTK-BUVRLJJBSA-N	474.944	5.709	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409060558	UNFQMUOYRSDJRJ-MYYYXRDXSA-N	474.988	6.242	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c1	409102618	DPHJFBDKRVBGKG-CIAFOILYSA-N	481.982	6.023	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccc(F)cc3)c12	409133991	OFGWXFPVWLBAJM-IWIPYMOSSA-N	472.610	6.797	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1C	409249163	SMMNFNZECWFDHI-LSHDLFTRSA-N	497.979	5.870	10	40	JKCB	
CCCCOc1ccccc1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	2194875	SJIJMFXYIPLASH-PGMHBOJBSA-N	479.627	5.069	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3ccc(C)c(C)c3)c(OC)c2)SC1=S	2874191	HPANLVARHAXGLX-STZFKDTASA-N	492.062	6.034	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	3208051	WZQRVMQCBDECFD-UHFFFAOYSA-N	484.964	6.348	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccc(Br)cc1	11565613	YVMJFIHWSIAYIG-PDGQHHTCSA-N	469.385	5.149	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	13039619	HHICGDWTKZRCTP-OYKKKHCWSA-N	489.553	5.882	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1	19793048	JXTNAWIJBBZHHU-UHFFFAOYSA-N	483.486	6.504	10	40	JKCB	
O=C(O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1	29747694	AEIGGGIGHGMXPY-ATVHPVEESA-N	486.427	5.014	10	40	JKCB	
Cc1cc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(C)n1-c1cccc(C(C)C)c1	32928352	UDRLEMGMNXYCBI-UHFFFAOYSA-N	457.618	5.386	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(Cl)cc4)cc3)C(=O)N=C2S1	33445431	TWMTZUUCYNNWBT-VHARHKTESA-N	485.034	5.930	10	40	JKCB	
COC(=O)CN1[C@@H](c2ccc(N(C)C)cc2)Nc2ccc(Br)cc2[C@H]1c1ccccc1	49591203	YIHXJVDDCSMCDC-RPBOFIJWSA-N	480.406	5.204	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc(F)cc1	59135106	XGUAFOFENWCKLG-FYJGNVAPSA-N	450.853	5.565	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1	59136205	KJFYXICFYTWZSF-CJLVFECKSA-N	475.589	6.247	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1	95535903	QEHWFXKWXKVYHE-YBFXNURJSA-N	497.334	6.088	10	40	JKCB	
O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc(N2Cc3ccccc3C2)cc1	96247944	BHCJZGHATUCOAI-LSFURLLWSA-N	494.403	5.345	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc21	208442820	PCTXIVAJDPBWDW-XKZIYDEJSA-N	461.587	5.302	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1cccc2ccccc12	208730823	YVOPJQRKVDWLSA-XKZIYDEJSA-N	482.413	7.812	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc21	223489732	AOYOFPZAJHWIFC-KGENOOAVSA-N	459.615	5.237	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(F)cc1	223895621	KSWWATJHSXRUAB-KAYWLYCHSA-N	485.632	5.871	10	40	JKCB	
C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1	225779695	LPAPKJMBEKBLPE-RTWAWAEBSA-N	463.021	6.646	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	260914721	HBICLFCTJSZYDI-DQEYMECFSA-N	491.060	6.249	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OCC	408695357	SERXRSOYEVIQAF-UHFFFAOYSA-N	459.951	5.169	10	40	JKCB	
Cc1nn(-c2cccc3ccccc23)c(C)c1/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O	408757727	PLFMHNGNHUDHKY-KOEQRZSOSA-N	486.531	5.462	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	408877750	UHHJWEYAOVZXGH-KOEQRZSOSA-N	494.978	6.367	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	408885022	WLTRMZXSEBXTBQ-HMAPJEAMSA-N	460.986	5.379	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Br)c1	408892642	IRYLYEHJGMRBPY-BOPFTXTBSA-N	477.152	5.089	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1C	408965468	HPFKFLJODBAKOH-UCQKPKSFSA-N	494.016	5.985	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OCc1ccc(F)cc1	408976881	GXAHQNMMKLUPCM-YDZHTSKRSA-N	464.924	6.263	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)OC)c3)C2=O)cc1	408983877	DSOLQINWPZGOCK-RCCKNPSSSA-N	459.929	5.997	10	40	JKCB	
CCCCOc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl	409036558	LPMSGLNHQMYFMH-IZZDOVSWSA-N	493.259	6.674	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1	409139788	BZYFQMAMPCHKSJ-KOEQRZSOSA-N	485.653	5.885	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	409211214	MPHXIZRAKSFYIY-MKMNVTDBSA-N	490.187	6.070	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1C	409251406	QBSPQSBUYJPJCL-MFKUBSTISA-N	471.626	5.666	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1Cc1ccccc1	409347327	POQYWUDRHCWMBJ-BUVRLJJBSA-N	485.590	6.312	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc(OC)c1OC	1452321	YFKHQBMCRHHVNC-SOFYXZRVSA-N	456.372	5.425	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1ccccc1Cl	2277347	BKGKIRLLGUPIKQ-ZHZULCJRSA-N	471.969	6.015	10	40	JKCB	
Cc1cccc(/N=N/[C@H]2C(=O)N(c3ccccc3)C(=S)N(c3ccc4ccccc4c3)C2=O)c1	8437602	OWMOWNDDRGMWDI-USTXVIIHSA-N	464.550	5.965	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1	8722202	QQORIIRBAAAZGQ-OEAKJJBVSA-N	459.571	5.386	10	40	JKCB	
O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)SC(=S)N1C1CCCCC1	9296569	FRASMOMUTAHWQH-JYRVWZFOSA-N	477.243	5.451	10	40	JKCB	
Cc1cc2ccccn2c1C(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C	12558982	WESFZEQVOKPOTP-UHFFFAOYSA-N	472.683	7.505	10	40	JKCB	
CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1-c1ccccc1	17129936	IRJUQLTZZSCWHF-OCOZRVBESA-N	459.556	7.037	10	40	JKCB	
C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288006	ABCHEZVTFGEZPK-BWAHOGKJSA-N	477.593	5.635	10	40	JKCB	
COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1	20288261	NXUZYNHHOQEGAE-JWGURIENSA-N	468.538	5.220	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	33446516	NEVORSCTCADEAW-LICLKQGHSA-N	464.952	5.057	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	33633209	BLHJMKZBHBWGBH-LEBHPONQSA-N	455.558	6.423	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222878309	OMJIKKCSSDTWNA-FTJBHMTQSA-N	461.679	5.718	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1	224462745	UDKDQTVYWKMOCU-LOSJGSFVSA-N	459.018	6.320	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c(C)c1	224607774	CTNFEYONGRQNHN-XTEPFMGCSA-N	482.653	6.297	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)SC2=S)cc1	408576648	YERKXFZDTKKPGT-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	408768232	CZHPNKNRDFZOFN-LFVJCYFKSA-N	475.976	5.757	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1	409044288	BOSFGKUDZWGMBG-YBFXNURJSA-N	497.334	5.247	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409062618	XUNFUZXAVTYIRV-HAHDFKILSA-N	490.987	5.942	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	409201193	KKWVEWXIHINEPK-KEBDBYFISA-N	453.907	5.897	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc12	409246453	IQKMNWIXMFJGBR-XDHOZWIPSA-N	450.947	5.032	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c1	409330615	LBRVBAXLUSRCNS-VCHYOVAHSA-N	476.362	6.357	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1C	409343799	IJHLEBUAHDJUOP-BUVRLJJBSA-N	488.634	5.722	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OCc1ccccc1	8431363	JEHNGYOJUDEEKX-OEAKJJBVSA-N	480.486	6.489	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	8450585	XZJBEMIJLUQZDB-BTGMWCQSSA-N	461.978	5.618	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N1c1ccc(F)cc1	8738565	SIMCELPAASCCCY-JJIBRWJFSA-N	483.499	5.756	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	8783596	JUVWKLNEQWVVNU-BZMVSXQDSA-N	492.660	5.458	10	40	JKCB	biogenic,in-vitro
CCCCCOc1ccccc1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	9065690	CZOORIREDDMAKL-XLNRJJMWSA-N	493.654	5.459	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c1C	9158717	SCDSMBDPXAUUKV-AHXGQMSJSA-N	488.016	5.918	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	9232313	RIFJRVZVBBPDJZ-LICLKQGHSA-N	482.410	7.283	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc(O)c1	9262204	QACBSBCPQSNTMH-AQTBWJFISA-N	474.343	7.430	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	13632955	LPWKMALQNCFLOY-ONBPZOJHSA-N	462.505	6.794	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1	16779684	ASQZPTDSBADOHQ-UHFFFAOYSA-N	456.951	5.416	10	40	JKCB	
CCCCOc1ccccc1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	26532048	SJIJMFXYIPLASH-LTGZKZEYSA-N	479.627	5.069	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	35039950	WOMPGAPWBKWXLZ-ODLFYWEKSA-N	466.496	5.267	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58848017	DCJLEDOEVDBTES-CEYNDMKZSA-N	485.436	6.929	10	40	JKCB	
CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@H]3c2ccc(OCC)cc2)cc1	97965271	LYYLCDGJQSYBOM-WAXAOOOASA-N	459.550	5.917	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C	208230741	RLJGUYFHLWVVAJ-BBJIBYMTSA-N	451.954	5.037	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21	208446703	OKLVEFACQHCOJW-LFIBNONCSA-N	470.356	5.292	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1	223057238	QGCVSCXYIDFBRX-SVBPBHIXSA-N	491.705	5.344	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271423	QQZCVUAILIYLEI-URLMMPGGSA-N	480.681	6.900	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C	224566267	ZBRYBSUKIHHTCI-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)O2)cc1	408744322	XTOHOYUINCZGEO-XDHOZWIPSA-N	481.317	6.157	10	40	JKCB	
Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21	408863068	OUQCQAJPSGSENQ-UMFSSWHCSA-N	456.498	6.007	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c(C)c1	408884082	SMXOQDAUJFTCGA-QRVIBDJDSA-N	450.991	6.601	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409069232	MAMZVQPLYUWNDK-JWGURIENSA-N	459.929	5.796	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O	409242953	XAALDCGZPCTWCD-XNTDXEJSSA-N	486.267	5.136	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409346584	NFCPKPXAKAMLJJ-NDENLUEZSA-N	460.407	6.951	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)o2)c([N+](=O)[O-])c1	409347452	MHMBBCKALGBNJU-MTJSOVHGSA-N	466.540	5.886	10	40	JKCB	
CN(Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@@H]12	1565519875	KSSCVVJCDPHHKV-CYFREDJKSA-N	467.009	5.515	10	40	JKCB	biogenic
Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4OCc4ccccc4)S3)CC2)c1	2295485	FXTYTQLIVPLHSH-XHPQRKPJSA-N	469.610	5.367	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S	2828276	QMOCJUBYKUQAGZ-YVLHZVERSA-N	468.825	5.903	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C(=O)O)cc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])cc1C	2995863	QEPBXANOHSBPHR-WOJGMQOQSA-N	499.401	5.518	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1	3208049	VIBFLFDMEHECKP-UHFFFAOYSA-N	494.528	5.393	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)SC2=S)c(C)c1	8870036	VRDUVEJKIDBJTN-ISLYRVAYSA-N	470.666	5.561	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	9193709	BIZFEOGHBPDKND-RLRFCYPDSA-N	459.600	5.326	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	9290563	VKADLJXSOZXIRV-ZVWBETBCSA-N	491.979	5.863	10	40	JKCB	
COC(=O)c1ccc([C@H](c2c(O)ccc3ccccc23)N2CCN(c3ccccc3)CC2)cc1	13149335	PQHOXZZEFWYOEB-MUUNZHRXSA-N	452.554	5.244	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(C)c1	13940601	WLCCYMJFZPQOPH-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	15011903	GQGWZIFIWUUQOQ-XDHOZWIPSA-N	456.386	6.423	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(C(=O)OC)=C2C)cc1	15229358	ZHJIDIAPJRREDV-ITYLOYPMSA-N	453.538	5.705	10	40	JKCB	
Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21	17729431	RAKDZEAXRLIBMZ-UGKGYDQZSA-N	455.739	6.050	10	40	JKCB	
N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	41076328	NAYAURWBNGFXPV-XWFKJQDLSA-N	494.686	6.540	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1	58846670	LXROQDXEIYPWSF-JWZKTCGFSA-N	490.625	5.948	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847751	KOIJZESSDADLAQ-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(C(=O)O)c1	100525244	DOZWOIBIHPEPMU-GSWFEHRJSA-N	484.335	5.146	10	40	JKCB	
CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	107994781	SYAYIBZUBNSIHA-ATVHPVEESA-N	495.790	6.272	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208316170	PBJIKHDDABQGCA-SDLXJUDFSA-N	461.631	5.247	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)ccc1Cl	208702319	QBDSVTCWPHTYFL-XKZIYDEJSA-N	491.977	6.857	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230864	WLLMWMPEMPYWBC-UIOOFZCWSA-N	461.679	5.030	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224535241	VJKPETXSXVLXMQ-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224573352	OECKSZGSLRUEPM-XRKRLSELSA-N	496.680	6.546	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902678	ZDHQWJIMDGRKGD-WUFINQPMSA-N	484.644	6.731	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1Cl	224951687	DEKOXKCIGFXGSA-JWQCQUIFSA-N	490.032	5.723	10	40	JKCB	
CCCCOc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409029572	AUZAVHUVWOCLPS-KPKJPENVSA-N	488.840	6.029	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC1=S	409048022	VTOZUKKRHUFNPN-GRSHGNNSSA-N	462.980	5.684	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409054467	AGMNVCSDNPQSAK-QFEZKATASA-N	489.015	6.550	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1cccc(Cl)c1	409090152	LQUAKEYGOFWFEH-CVHFWEDTSA-N	490.046	5.698	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409126918	BXMKAGHZDUXNOI-ULJHMMPZSA-N	475.639	5.337	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)c3ccccc23)C1=O	409238465	AEPUTIAENYFXDV-HMMYKYKNSA-N	459.933	5.068	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)c2C)cc1	409375973	RNNXUGIRBZFKEK-ULJHMMPZSA-N	479.646	5.486	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1cccc(Cl)c1	2056494	FBJJIJIWXYJGQO-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1	3291413	PXNQCGVUPMIGKH-UHFFFAOYSA-N	463.336	5.056	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12	8767487	DXTANXCONDSVPQ-GJFBBOBCSA-N	491.935	5.121	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)S2)cc1	8821047	XYBLLIMHQNJEFX-PXLXIMEGSA-N	496.430	6.638	10	40	JKCB	
Nc1c(/N=N/c2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	13403832	SEKGXFZFHGAXJW-QDZRIBSFSA-N	469.526	6.131	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	13801058	KBJWSFGGLYRXJQ-XKZIYDEJSA-N	490.346	6.503	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1CCc1ccccc1	16736956	XTBFHBMHGZNXTP-QJOMJCCJSA-N	468.607	5.378	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl	20041291	QLPYNNJXDFUDGH-UHFFFAOYSA-N	484.021	5.061	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1	33331435	MWGNEJVATLLGOL-JCMHNJIXSA-N	471.944	5.718	10	40	JKCB	
COC(=O)c1cccc(Cn2cc(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)c3ccccc32)c1	33663066	UQTBNZLBDALSPH-YSMPRRRNSA-N	495.604	6.175	10	40	JKCB	
CC(=O)Oc1ccc2c(c1)Cc1cc(/N=[N+](/[O-])c3ccc4c(c3)Cc3cc(OC(C)=O)ccc3-4)ccc1-2	104124738	OZBRKECUISGBPA-QNEJGDQOSA-N	490.515	6.605	10	40	JKCB	
O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N/c3cccc4ccccc34)c(S(=O)(=O)O)c2)cc1	104174604	PAILURZOPJKWEW-HXEHWPEMSA-N	496.526	6.164	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2C(C)=CC1(C)C	208514528	JAXFBNSMAOJQEI-WOJGMQOQSA-N	484.383	5.682	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)ccc1Cl	209535770	JMXYTNYDSIZVGT-YDZHTSKRSA-N	489.936	6.688	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(Cl)c1	223226135	JZTGXIUWPMQKRU-BJKOFHAPSA-N	468.070	5.067	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	223387130	TZOMUWYYHMPWFE-FTJBHMTQSA-N	482.609	5.360	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1	223916621	NRVYYNMRRVYAMP-KAYWLYCHSA-N	483.641	5.432	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)c1	224240357	BTEPZXYVNAVPDC-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	224337231	XYQCXJUIMCTSDB-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1	408575323	NUBJKFYZBWIQIY-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Br)N1c1ccc(F)cc1	408762858	LMOMDAJYBIGQQR-YBFXNURJSA-N	465.278	5.151	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408769424	UMNWPQSFHLKLDR-RCCKNPSSSA-N	459.521	5.197	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OC(C)C	408806700	BHOWSFXCAXKBLX-LZYBPNLTSA-N	477.344	5.154	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)cc1	408873470	ULVRNQXTCVOAEX-KOEQRZSOSA-N	464.496	5.545	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)c1	408876172	JRSVJUKGMPUDIG-KOEQRZSOSA-N	480.951	6.059	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc(F)c1	408935678	ILZVOIWQSOMYHY-HZHRSRAPSA-N	458.489	5.245	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(C(=O)OC)=C2C)cc1	409013559	BKBQRGVEJKYGHE-WQRHYEAKSA-N	460.313	5.047	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409023741	OEUVIAJNAARBBW-UQQQWYQISA-N	455.510	5.151	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409024443	SNLNAMYMLKAXGF-JLPGSUDCSA-N	469.537	5.147	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409061976	KWMJLNGIPWBTPQ-QRVIBDJDSA-N	498.476	6.129	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C	409138305	ZSQOTFJQUPKOJE-BUVRLJJBSA-N	491.569	5.680	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1	409190043	VERGSPFWTZKGFV-HYARGMPZSA-N	480.973	6.165	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409220677	DEMHMFCEVRDEOL-HBBMIWKISA-N	498.526	5.867	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC	409328480	WAQUKMSHSHNOHF-GZTJUZNOSA-N	497.425	5.337	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	409343328	GGXMMOAPHJLGTN-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	409345362	LPZVYXXIBLKBNK-YBFXNURJSA-N	468.427	6.587	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409347663	QRWLDDKUZQWYLL-XDHOZWIPSA-N	499.957	5.850	10	40	JKCB	
CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)C1	1454576	WIMLOHBGWSTMRH-JMQGSBJISA-N	461.558	5.337	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1cccc2ccccc12	2064097	BEDFYOPBSODZMN-UHFFFAOYSA-N	458.510	5.571	10	40	JKCB	
S=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2cccc3ccccc23)CC1	2690681	YMSMHADORQLTNO-UHFFFAOYSA-N	467.421	6.904	10	40	JKCB	
O=C(c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccc2)CC1	8809695	KXCQFKWAGWFLCY-UHFFFAOYSA-N	468.560	6.052	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S	8819663	QMIHOEGPIFSEBI-FXBPSFAMSA-N	454.617	5.486	10	40	JKCB	
COc1ccc(OCc2ccc(Cl)c(Cl)c2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	9805742	AHGLAQAXGBLVJK-CPNJWEJPSA-N	469.324	5.042	10	40	JKCB	
O=C1N=C(N2CCOCC2)S/C1=C(/C=C(\CC(=O)c1ccccc1)c1ccccc1)c1ccccc1	16450676	PAFNOFPXFXDWLA-JKWYUJKRSA-N	494.616	5.716	10	40	JKCB	
CCCC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl	18067660	ULTCHVCSGSYBFV-QUNNOBFSSA-N	472.829	6.001	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C1c1ccccc1	27519409	QZSOOSOEOUUHAE-HMMYKYKNSA-N	488.370	7.733	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1	33568032	PQVQVLJBINVYDE-XDHOZWIPSA-N	476.406	7.058	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	208236632	IVGJNCPGCHUCRV-NIZGNDASSA-N	461.631	5.111	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Br	222920539	YBUHEEBAYPFFSS-PKTZIBPZSA-N	483.479	5.880	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1Cl	223271646	WGVJBIWWNZKCEJ-PKTZIBPZSA-N	488.488	5.330	10	40	JKCB	
COC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223685993	RWOFIYBFHBXIRR-SVBPBHIXSA-N	484.625	5.178	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224241197	HDPWTBKOSBWHKL-JWQCQUIFSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(F)cc1	224367402	VYVZQFQUCQDCFI-VSGBNLITSA-N	484.644	6.929	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224533759	VHZWBBVOFOJHNV-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	224573617	OGWAYBKSXMUZLI-FTJBHMTQSA-N	469.614	5.378	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(=O)O	225017285	KSLDVIVUVHUKOG-BJKOFHAPSA-N	460.603	5.102	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	260926940	XCGKXIJYRLJSBH-RPBOFIJWSA-N	490.076	5.934	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccccc1	408532666	QRHZTNNAPFAECF-UQQQWYQISA-N	454.574	5.583	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Br)N1c1ccc(O)cc1	408754167	IRNQZKJTAYISIC-RGVLZGJSSA-N	488.168	6.296	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Br)cc1	408765559	MCSFCCUIYBECJT-XQNSMLJCSA-N	460.375	5.658	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409014023	ONHWDHKAJFOSCJ-JWGURIENSA-N	460.961	6.015	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409074414	ZIAGVAOCQVCRSG-UKTHLTGXSA-N	496.133	6.227	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1	409086205	GKVJSRKWFNFJEB-YDZHTSKRSA-N	493.560	5.307	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c(C)c1	409118262	PKMRYKKNUHBOTH-FYJGNVAPSA-N	492.044	5.813	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1Cl	409230326	YGMFXBYXWMFKCT-GZTJUZNOSA-N	457.338	5.393	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1C	409241345	RLYAOMJEIAJGNU-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S)c1cccs1	409338264	GVOQPLSEZZBXJR-UNOMPAQXSA-N	470.572	5.012	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	409372865	OYGAOUCHPGBQAJ-VGOFMYFVSA-N	458.779	5.585	10	40	JKCB	
CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[C@H](C(C)(C)C)C2	935475	AWIYWJWLKILPGQ-LIRRHRJNSA-N	486.659	5.517	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	2165240	BUOMXIQUWYSOCU-JAIQZWGSSA-N	453.907	5.897	10	40	JKCB	
COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4c(-c5ccccc5)noc4C)n3)c2C)cc1	2633332	OCEVBHXBOVIIBJ-UHFFFAOYSA-N	484.581	6.442	10	40	JKCB	
Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1cccc(C(F)(F)F)c1	3357570	HBKLZUQWOICYRI-UHFFFAOYSA-N	452.816	5.936	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	8820093	IJWGKWPMGVNLMI-HOJYTFPLSA-N	488.675	5.026	10	40	JKCB	
c1ccc2c(Nc3ccc(Nc4c5ccccc5nc5ccccc45)cc3)c3ccccc3nc2c1	8916713	CHEGZEWTNWNRPZ-UHFFFAOYSA-N	462.556	8.577	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC1=S	9090165	ZBZUAVOSHPSDBT-HAVVHWLPSA-N	467.594	5.619	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	9260818	QMXRLEULQOKYBQ-LPYMAVHISA-N	463.534	5.217	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O)=C\c1ccccc1	12017094	UMUKHBDXPXSFLI-NSESQLPSSA-N	478.683	6.052	10	40	JKCB	
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1Cl	16678590	AZDHECRODLECFJ-UHFFFAOYSA-N	463.965	6.645	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c3ccccc32)cc1	20059400	JUGBJDCASYKTES-XHLNEMQHSA-N	470.572	7.248	10	40	JKCB	
O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1ccc(/N=N/c2ccccc2)cc1	33579020	HJTXOQKKTFKQOB-OCEACIFDSA-N	494.374	6.645	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1	58848496	LWYNCBMWNPOOMZ-DFIYOIEZSA-N	477.542	5.231	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C	59135323	WYFIINVMYNKOTO-YBFXNURJSA-N	467.884	5.402	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(O)=NC(=S)N1c1ccccc1F	59136416	HZHGBGPCIDQLSW-QGOAFFKASA-N	466.921	5.730	10	40	JKCB	
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(O)c1O	79189557	GVMDUFGBBWQNBB-UHFFFAOYSA-N	489.528	5.702	10	40	JKCB	biogenic
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C2=O)cc1	208461416	HEZGAAIDNAGKRN-QRVIBDJDSA-N	491.613	5.310	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223053543	ADBCSOMOICARKO-GOTSBHOMSA-N	455.027	5.152	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224020986	NOXLSRPCRQTLLK-FTJBHMTQSA-N	483.597	5.098	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224302554	PWLYUJBPTVLCCC-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	224334925	HVJQRZVKENYRKF-FQLXRVMXSA-N	480.681	6.791	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225017911	BVZITTYEUJVOGX-WUFINQPMSA-N	487.717	6.250	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1	408641444	LNJJOYBLRSQTCX-IBGZPJMESA-N	456.929	6.277	10	40	JKCB	
CCOc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1cccc(Cl)c1	408736628	XXHOHHXTDGUZHQ-VHSZZVNMSA-N	476.960	7.052	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccc(Br)cc1	408766440	QPCXZBMUAGHQLN-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)c1C	408818484	VPFWFIPMEAAXKF-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1	408874471	CEGDZXLLZXNSMD-WSDLNYQXSA-N	479.363	5.867	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Cl)cc1	408993145	CIVZXQJJYTUCJY-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409021772	XYXDOBFZBFLVEF-JLPGSUDCSA-N	485.536	5.160	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409022608	CLNXZLLMFXCPSU-HAHDFKILSA-N	489.955	5.805	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl	409052806	APLWKLWJTAPGIU-UDWIEESQSA-N	471.771	7.032	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)S1	409093437	ZDZSCNPZBMUCBX-KEBDBYFISA-N	471.365	5.832	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S	409175567	ZTTDKYDZYLEHBK-KAMYIIQDSA-N	473.337	5.093	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c3ccccc32)cc1	409329882	IHHSRTGJBMCQES-QQXSKIMKSA-N	483.662	6.470	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(OCC)c3)SC2=S)cc1	409349085	UWFIHKUKLIEAPM-PZBNQXIHSA-N	457.617	6.067	10	40	JKCB	
CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccc(Cl)cc2Cl)C1=O	409362458	UXAHLYWBZYDCPV-SRZZPIQSSA-N	479.429	6.475	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1	1179938	KDNIWGNQOVGTEO-SFQUDFHCSA-N	450.507	5.244	10	40	JKCB	
O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccc(OCc2ccccc2)cc1	2310140	IIPBMGZCGDFAGI-XIEYBQDHSA-N	490.028	5.712	10	40	JKCB	
COc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc(Br)c1OC	4164751	YTSQXCDEMAKOKZ-HXUWFJFHSA-N	466.335	5.317	10	40	JKCB	
C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5c(c4)C(=O)c4ccccc4C5=O)cc3c2C1	6142780	PLVVBWVVOPTIPI-HNNXBMFYSA-N	471.534	5.134	10	40	JKCB	
CCOc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)cc1	8443728	ZVRXURULVZZHJF-UHFFFAOYSA-N	498.538	6.328	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)cc1	8821719	CHVPPPMJAYMUIE-UQQQWYQISA-N	477.029	7.344	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	8997550	JKHUHHXAOOGJBD-HZHRSRAPSA-N	459.521	5.402	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9293463	CCQLEDSWHFZWFG-MYUIGVTMSA-N	491.979	5.863	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)c1	9311278	BIDOLJYLMAQQCO-LTGZKZEYSA-N	498.376	7.189	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14406698	PBWZUYUAHRTHLH-XHPQRKPJSA-N	469.537	6.145	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	33644544	OEPNVVXILGYOQZ-SDYPZFMASA-N	491.979	5.863	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1	33676626	QOAPULNVTDUZME-KOEQRZSOSA-N	497.551	5.317	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(OC)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848816	KECXBUACXXZKDT-PPJWLVRDSA-N	490.581	5.109	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1	59198278	ZIYWMPXNYPKOAE-DEDYPNTBSA-N	495.304	5.038	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	208241823	LMHMLWTZDAREEX-AGZSBTIMSA-N	472.372	5.382	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223495417	VFOMNGJOTOEEQL-KAYWLYCHSA-N	467.642	5.619	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223543653	IFGOXECTLRIJNE-XCZPVHLTSA-N	481.669	5.928	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463174	GWZCUXQRMYFYKW-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224837719	AHJTYYWIDXDJBQ-IZLXSDGUSA-N	498.652	5.992	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1	408573749	KGSXITARCPPYIP-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)cc1	408757612	AWAXAAUNHYIKQV-BKUYFWCQSA-N	492.373	5.140	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	408892446	ZJRQIBCMENPUGK-BKUYFWCQSA-N	476.985	5.367	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409017258	LTLFXEOFKPZQJA-JCMHNJIXSA-N	489.955	5.805	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409057383	PBIFGULUYZFZBJ-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)NC1=S	409107267	QKGLPMYDYOKVDX-YBFXNURJSA-N	467.953	5.026	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21	409123994	IONVTJYBUYIHOX-OYADDEIPSA-N	475.639	5.448	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	409145107	MEGXRXSVCLSOOO-GQFJFNLSSA-N	491.034	5.381	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409191172	UEDYKZMKMPKJKV-SRZZPIQSSA-N	483.933	5.905	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O	409232546	QXOZEAKTGRCLIP-GHRIWEEISA-N	468.918	5.149	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)o1	409329147	DAUYZGCXCJDWLR-UDWIEESQSA-N	468.512	5.278	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(Br)c1OC	409330122	IZPUGHNIEGFTHJ-UNOMPAQXSA-N	486.412	6.025	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)SC2=S)c1	409347724	MPEFYBGBWBZUJO-WGOQTCKBSA-N	499.682	7.547	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	8819099	VMRIWNZXOYZRLU-IDUWFGFVSA-N	467.399	5.232	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9309090	QXHJQBLRKOYXPX-DSNGMDLFSA-N	496.994	5.784	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)cc1C	15240765	SIRZQPQOXVEXSB-TUKHXMGSSA-N	462.575	5.036	10	40	JKCB	
CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	15947082	SOAMVBUSIGFCMX-QHCPKHFHSA-N	468.022	5.893	10	40	JKCB	
CN1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc23)CC1	19789752	JIGGCYGJVLLBDQ-UHFFFAOYSA-N	490.522	5.355	10	40	JKCB	biogenic
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	58822126	PNGNRFFUNYPUGG-CIAFOILYSA-N	471.771	7.032	10	40	JKCB	
Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)ccc1Br	59862180	HWBPNPIORSGZTF-KGENOOAVSA-N	491.341	5.843	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C)cc1	96505502	PDFFTZSCOCWMFA-HZHRSRAPSA-N	453.629	6.117	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1cccc(C)c1	113834268	RSBBMNNMIRGJFZ-YDZHTSKRSA-N	492.578	5.897	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(=O)O	223386863	JNHSNBMVLXJMSH-FTJBHMTQSA-N	482.609	5.360	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)cc1	223488043	MRAAUQZSSBTDHV-HZHRSRAPSA-N	473.573	5.162	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223534814	FGFPSCSNLTVDLQ-RRPNLBNLSA-N	467.642	5.619	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1	223601158	ICJVLGWYIACXKF-WQZUMXOESA-N	459.590	5.470	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224373618	GUYLZMBOWFLDEJ-WUFINQPMSA-N	481.669	6.493	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1F	224432273	SFBXAVFADOHUBA-JWQCQUIFSA-N	460.553	5.944	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(=O)N1CCCCC1	408625550	SWLONPAQPZVZID-UHFFFAOYSA-N	497.016	5.306	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)c(OC)c1	408631641	ADOVGWUDXAGMFD-STZFKDTASA-N	487.025	5.691	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1	408724210	HWQPKMAPSMGXOL-UDWIEESQSA-N	496.953	5.873	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)S2)cc1	408784615	VBYPUYYYADIDRU-DBXPASCUSA-N	459.659	6.554	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408842756	KNOMPHDGUOUFSW-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)C1=O	408867092	ISNJJKXLYVGMAF-BWAHOGKJSA-N	494.978	6.313	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2Cc2cc(C)cc(C)c2)C1=O	408870172	VGRAZKQBBVNGQD-UQQQWYQISA-N	468.553	5.132	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1	408875587	KIXJKSYJZGDQEE-PDGQHHTCSA-N	485.298	5.378	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)SC(=S)N1c1ccccc1	408902958	SRNFNSGLVMFYAX-DEDYPNTBSA-N	472.418	6.978	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(C(F)(F)F)=NN1c1ccccc1	408973037	XUNSRZVQOJSKGK-ZHZULCJRSA-N	456.851	6.268	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409009966	ARHDQFHDZYWEIO-ONUIUJJFSA-N	484.596	5.987	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1	409039904	XKMGERVNGCDTMA-YBEGLDIGSA-N	492.831	6.421	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1	409103381	YEQYMLPMHVVSFZ-HYARGMPZSA-N	495.025	5.721	10	40	JKCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C1=O	409128592	SFZBXXFAGMARFC-BKUYFWCQSA-N	469.404	6.456	10	40	JKCB	
O=C1/C(=C/c2ccc(I)o2)SC(=S)N1c1cccc(Br)c1	409204634	CBWGLXOQJCSGLP-XFFZJAGNSA-N	492.157	5.053	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O	409207613	YQDWXAIRMKZODI-XDHOZWIPSA-N	456.386	6.017	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S	409347679	QOLAOOUOXNQIAX-MTJSOVHGSA-N	472.557	6.827	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)n1-c1ccc(OC(F)F)cc1	3338353	HSAIPHXEKHHTBE-UHFFFAOYSA-N	478.835	5.297	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC	3768708	QUOZELKEKGVLKI-LDADJPATSA-N	464.406	5.652	10	40	JKCB	
Brc1cc2c(cc1[C@@H]1Nc3ccc(I)cc3[C@@H]3C=CC[C@H]31)OCO2	6445372	RIVTWYVNCSCPEQ-HNYWDRBLSA-N	496.142	5.609	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1c(Cl)cccc1Cl	8722070	ZDHUTBJUXORCPW-XSFVSMFZSA-N	481.379	6.777	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc([C@H](C)CC)cc4)c4ccccc34)C(=O)N=C2S1	8816718	HBNCZHPKTFLXQS-JUKYZRASSA-N	499.640	6.263	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	8915905	FFWPBJBHKMLRSL-IMONMXLFSA-N	459.236	5.435	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1	9136238	GKQPHMURFYLFAS-JTMDUIFQSA-N	493.357	6.729	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9232583	QUVRNKYCHZLDKN-KKUQBAQOSA-N	479.551	5.874	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9281850	QJWDTDLOGKFRSB-LWMHZHKFSA-N	480.018	5.671	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(C)n1-c1ccc(F)cc1	13141783	UVYFNTDNISRTRK-UHFFFAOYSA-N	456.517	5.700	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)cc1	13805734	QAVMEHWQENVZRD-BIRLBKGPSA-N	485.638	5.913	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(Cl)c2)cc1	20289048	MEXQRDPKNAFCNU-HAHDFKILSA-N	482.367	6.148	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1F	26842533	PAILBQJVBVSHAR-WWNXGUCMSA-N	476.577	5.066	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	27018118	YFWLGWVQAYIISC-QNGOZBTKSA-N	451.592	6.070	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	33897307	GZOPDQFOXKJZOA-GCXSFWCZSA-N	475.599	5.026	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c(C)c1	58846276	SKBFRIPAAJAOCG-BOCWGRARSA-N	488.653	6.718	10	40	JKCB	
CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	58847030	YQGPCNMBUZCTBB-OREGWCPLSA-N	478.589	6.240	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(OC)c1	58849232	GSIGCZJWEKRXSW-ANSQWYIGSA-N	480.561	5.470	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(O)=NC(=S)N1c1ccccc1F	59135836	QNMBRQGLIALCNB-GXDHUFHOSA-N	461.301	6.064	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1C	59336728	BIIKCXXRBBQRDH-WQRHYEAKSA-N	455.297	5.537	10	40	JKCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)c2ccccc2)cc1	100524749	JBHHGKQILISYPE-IFQZSBTPSA-N	465.538	5.916	10	40	JKCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	103916551	ADIADYAVCWTRKN-XHPQRKPJSA-N	454.530	5.403	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Br	106683276	MIIOUWTWWCQNEM-YVLHZVERSA-N	451.773	5.405	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224398245	KODCOIPPXGIVGP-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260925548	VLBIDAVOCPLATJ-UKDVSSAZSA-N	497.064	5.303	10	40	JKCB	
CC(=O)Oc1c(Cl)cc(Cl)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O	408741906	MDECNSKXSRPBHV-AWNIVKPZSA-N	454.103	5.663	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Br	408876553	MDUQJAUVCHJVMC-XSFVSMFZSA-N	495.760	5.360	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cc(C)cc(C)c1	408880805	IVVORBNUXCSLGP-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	408984292	GKBKEONHOCSUSB-HIXSDJFHSA-N	493.006	7.954	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c1C	409129233	RHDPFSKJNZYSAX-LDADJPATSA-N	481.371	5.157	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccc(F)cc3)c12	409130087	KIBZLVIXPFLXIZ-BKUYFWCQSA-N	454.592	5.239	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC1=S)c1ccccc1	409180412	SBMVOFJHSRGMTC-KOEQRZSOSA-N	496.613	5.965	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccc(Br)c(Cl)c4)C3=O)c[nH]c12	409335176	ZECNTWXXRXGJTL-IUXPMGMMSA-N	477.836	6.552	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	2281527	YBMIHDREDGJUMS-HYARGMPZSA-N	455.901	5.850	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)SC1=S	2682719	UGRQJXJOHKMMOJ-PGMHBOJBSA-N	469.628	5.441	10	40	JKCB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	8921731	YLXAKEMYECZHST-JOCHJYFZSA-N	498.004	5.641	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)ccc1Cl	9065888	SBAULDAXEZLUFR-PDGQHHTCSA-N	469.324	6.155	10	40	JKCB	
N=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N12	9292126	MMOUIPSJYIZHMB-AHXGQMSJSA-N	471.969	6.223	10	40	JKCB	
CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/C(C)=C\c2ccccc2)SC1=S	9434111	AFSVZNAPCUEKGV-VGVGFMIESA-N	452.601	5.262	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)c1	12274978	PNVVASPJWRKKAK-YBFXNURJSA-N	474.390	6.862	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O	13788257	MHFCDVCZHDFXPX-PXNMLYILSA-N	459.898	5.869	10	40	JKCB	
CCc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1	13894550	DUHKIWCTVNKPTC-NCELDCMTSA-N	475.635	6.503	10	40	JKCB	
COc1ccc(N2CCN(c3nnc(SCc4cccc(C(F)(F)F)c4)s3)CC2)cc1	23140002	LPFMNVDPQWKYBX-UHFFFAOYSA-N	466.554	5.184	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	26965635	IXKRBOYNPCJUSL-IQDKPADRSA-N	491.638	5.318	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OC)c(COc3c(Cl)cc(Cl)cc3Cl)c2)SC1=S	28296308	WUOQFOCJHCHHIR-REZTVBANSA-N	488.845	6.456	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1Cc1ccccc1	33922335	NORIVPKZZRBMPU-PXLXIMEGSA-N	472.371	7.720	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)c1C	41108391	BHNOAXBXYSNGCH-ODUHAEHHSA-N	497.624	5.663	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(Br)c1OCC	59136306	CLQCQYRTOBMTRB-UKTHLTGXSA-N	493.354	5.057	10	40	JKCB	
Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Br)cc1	59186129	CHPGKSSXHYWCQJ-GRSHGNNSSA-N	461.281	6.368	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc4c(C)cc(C)cc4s3)C2=O)cc1	62825028	AZWIUHVOOLJTOA-LDADJPATSA-N	483.640	5.152	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)[C@H](C)CC(C)(C)N2C	208225078	DXXBRXZWUJSTST-YSUUHWHMSA-N	465.575	5.862	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(Cl)cc1	208678492	YBGBKFIUHQXFKY-JAIQZWGSSA-N	469.975	6.062	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1	223551831	MDYKCOPTYFIRLN-SDLXJUDFSA-N	461.631	5.327	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1-c1ccccc1	224034901	NLDMWJVPFBPPEH-DQEYMECFSA-N	454.555	5.087	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224300952	FFSZNVGSGLVUHX-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1	225504522	XDTYIGDYYNYGRX-RRPNLBNLSA-N	499.615	5.239	10	40	JKCB	
C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O	408801519	ULAZDHJQMMYFPW-GZABKKFDSA-N	499.498	6.569	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)cc1C	408816681	ZCEYTNUFUNPBAJ-YDZHTSKRSA-N	488.971	5.819	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(F)cc1	408936419	GEXTWTVTBQQAOT-LPYMAVHISA-N	492.934	5.899	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(F)c(Cl)c1	408969259	KFJWCOBDSWBBBX-WQRHYEAKSA-N	461.846	6.235	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3C)C2=O)cc1	408985485	MKCFXNQIBQYZPJ-HMMYKYKNSA-N	460.917	6.427	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1	408990668	XZWNRYMILDCMBH-SFQUDFHCSA-N	455.297	5.482	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc2ccccc2c1	409080250	MLQMQTZVNXZJLC-JOODZBNRSA-N	491.634	5.808	10	40	JKCB	
O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(Cl)c(Cl)c1	409334182	UVVKADGKHMGLHK-FZSIALSZSA-N	484.227	6.643	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	409339265	GIHOTGYIBOWQLT-LPYMAVHISA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)cc1	409349245	VBSLWMUFGAMKCD-PCLIKHOPSA-N	454.620	6.712	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1cccc2ccccc12	409350261	XSTLHZUALKTTMY-XHPQRKPJSA-N	483.614	6.703	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S	2281839	QTDKSMVTJZYIMQ-JWGURIENSA-N	463.628	5.939	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1cccc(Cl)c1	2282077	NZNGOCCODWWFRG-LPYMAVHISA-N	471.969	6.015	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1	3768720	LELIBSJOTYVKLQ-HYARGMPZSA-N	496.451	6.742	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c1	8821379	QHFHEMSKCABKCJ-QRVIBDJDSA-N	480.010	6.527	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)c(OC)c1	8821408	SINFYRSYZGGQNY-UDWIEESQSA-N	457.960	6.023	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccccc1F	9232449	ZYEOPXQXHQSQEP-BUVRLJJBSA-N	495.597	6.218	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	9293346	RWFYGGFPOYWRDH-LECIVKJOSA-N	469.998	5.566	10	40	JKCB	
COC(=O)c1[nH]c2ccccc2c1/N=N/N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1	13751019	DMJAKIWLWYCXKM-NVQSTNCTSA-N	468.557	5.601	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	20024792	UILNBHNEQKMPJG-VBQUMQFVSA-N	478.552	6.133	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(C)cc1)N1CCOCC1)c(O)c1ccccc12	24303260	IJYZTZLQIZHYNB-RUZDIDTESA-N	459.542	5.507	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1	27531815	SIGHFWGPZJEVMO-QGOAFFKASA-N	494.432	5.137	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc23)S1	32111835	IZDNXJGQZBELEH-CIAFOILYSA-N	481.371	5.288	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58849725	RVRLKJXHQWTGPY-ANSQWYIGSA-N	464.562	5.770	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1cccc(Cl)c1	59418125	AURUXBACICNFMY-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1	83318130	RZCUKPJARJMQBK-FYJGNVAPSA-N	464.880	5.873	10	40	JKCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	113467975	JEXTWBHFOJYRJB-DIBXZPPDSA-N	496.636	7.169	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C(=O)NC1=S	208307994	KDRTVHIJQAHXGU-WNSCPLKPSA-N	461.631	5.192	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	222950742	WFZZOOONZBCOIW-SVBPBHIXSA-N	489.689	5.098	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)cc21	224258960	JNMKFBRLMXGSPQ-SXOMAYOGSA-N	468.670	6.507	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271380	QQZCVUAILIYLEI-WDYNHAJCSA-N	480.681	6.900	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	225018115	DPMXDPURBIZYDH-ZEQRLZLVSA-N	485.484	6.711	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2	408736160	IWVSEQICWFCJLM-XHWIWGEHSA-N	475.588	7.422	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408753341	LZZLSIPUTMFOEX-UDWIEESQSA-N	455.714	6.076	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408754713	LIPMZKZVWPTHAD-CPNJWEJPSA-N	450.897	6.667	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(Br)c2)cc1	408755972	SPNBQHBDRCEZFI-FYJGNVAPSA-N	451.295	5.431	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)S2)cc1	408780604	GBCKXEZUNQXUTF-GOWBIRFASA-N	482.005	5.608	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)S2)cc1	408785864	IVBZXSLDGXDCSX-PLQXQRLBSA-N	468.022	5.918	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1C	408807223	KRBBIABMDZVISF-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1	408840724	DJJBQRYADAFMFM-DEDYPNTBSA-N	453.723	5.643	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1cccc(F)c1	408894135	JITHONYYXHOGJG-XDHOZWIPSA-N	494.906	5.042	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3C)C2=O)cc1	408986925	SUGLXWLUSQSWRD-LTGZKZEYSA-N	460.371	6.628	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N(c2ccccc2)C1=S	409023465	NASVCJDXFNXCHG-HMMYKYKNSA-N	495.398	5.663	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409057440	QCJBRRRFAKXKSM-XYGWBWBKSA-N	489.015	5.971	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4Cl)C(C)=C3C(=O)OC)c2C)cc1	409059292	MDRJTWSCZKPPRP-KQWNVCNZSA-N	490.987	6.023	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409091257	OXWQTGANJHGISY-BCUAHEQISA-N	463.983	5.438	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409176738	WFVNQOZXLFIZLD-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409244433	CQFPFZKXVXCGKM-WOJGMQOQSA-N	460.748	6.152	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1	409330180	KDRDSJFFFJTMOA-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)SC1=S	409331758	PNHFXVJXVYKMLI-STZFKDTASA-N	470.616	5.022	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1ccc(C)cc1	1871048	XKTWTQXVIPFSOV-QRVIBDJDSA-N	491.590	5.687	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccc(F)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	8444264	FGZWOUFZGLBAQV-IQEFUEHOSA-N	496.630	6.395	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1	8821716	BZPBUSKOWMMDEF-KGENOOAVSA-N	486.424	7.182	10	40	JKCB	
COc1cc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1Cl	9210725	WWMKXJNBAMWOJY-DQWSGNQTSA-N	485.997	5.040	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c3ccccc32)cc1	9428295	TUXCGCMFMXELQX-QRVIBDJDSA-N	483.955	5.626	10	40	JKCB	
CCCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)ccc1Cl	13602628	DEUIXJQTNNMKTP-PGMHBOJBSA-N	462.933	6.363	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccccc1	13895895	GGGKKVKAPHNYAX-HYARGMPZSA-N	452.000	6.320	10	40	JKCB	
Cc1c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc2n1Cc1ccccc1	17167391	UNFMYKANISNQDR-RCCKNPSSSA-N	469.541	5.809	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S	27018155	SEAZZUYANIUWPK-MOHJPFBDSA-N	491.682	6.720	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	34718760	WMNJOEZDFHABIL-HGMBWOCJSA-N	469.570	5.079	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1	41083482	SEHYQXFYBYKUPL-BTLSEQRKSA-N	465.648	5.937	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1	58845877	GMXLLNRJMFBKFR-DFIYOIEZSA-N	484.543	6.641	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847549	FJQMXWUKIRVRIG-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
Cc1cccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)c1	108027444	LBNTUWDADZVKCO-ODLFYWEKSA-N	497.776	5.451	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(F)cc1	223460132	XXPRJRHADKPZPE-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21	223488597	ZORHGBLGAXIJBA-YBFXNURJSA-N	498.410	6.070	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223859937	CXSBOUWEVBWZQE-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224202375	MHVYUBGZIMTTHI-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	224450142	SLUGHEUMALBUDD-JWQCQUIFSA-N	458.562	5.506	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1	408575482	OMMJPBDNRFNFIN-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c(C)c1	408773814	XMQIQGVDWALAQV-PXLXIMEGSA-N	454.482	5.470	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	408983865	DQDYCLMALAEIBG-CPNJWEJPSA-N	491.341	6.227	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(F)c3)C2=O)cc1Br	408986239	OYBPEHKTGHWTKK-CPNJWEJPSA-N	464.334	6.458	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	408986382	QEMMSKMRDFAQII-NJNXFGOHSA-N	458.561	7.300	10	40	JKCB	
CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	409046667	LENIFKCGARDVCJ-WUXMJOGZSA-N	474.127	5.365	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br	409249248	JXQMBDNUDUTFTD-QAEAHILHSA-N	487.419	5.075	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccncc1	409341762	BXMXPMYREAJEEU-OEAKJJBVSA-N	462.596	5.692	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409343352	GLSMKHMVSKIKMF-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(N(C)C)cc3)sc3c2CCCC3)c1	2072952	NTIFNMCXAGKYSR-UHFFFAOYSA-N	465.619	5.575	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S	8821354	VTEBQOJDRZOVSE-RUAJRXAUSA-N	455.601	5.419	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	9291351	QQUMJICEQVCUGX-VTGHKQSHSA-N	469.570	5.079	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)c1	9310428	LYTGZZJXZYKUMI-PXLXIMEGSA-N	478.595	5.595	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	9434512	XCOITJDJTSCLSL-NZAISQPBSA-N	485.613	5.838	10	40	JKCB	
O=C(Nc1ccccc1)c1ccc2c(c1Sc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O	12376734	KFHPTNLLLBYUAM-UHFFFAOYSA-N	469.949	6.519	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)c1	13785624	IDOXLVHIOZETGV-KQWNVCNZSA-N	474.607	5.130	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N3)c1	14166069	FTKKVBGONZFKBS-UFPGJGBJSA-N	465.018	6.584	10	40	JKCB	
Cc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2cc(Cl)c(Cl)cc2Cl)c1O	33839081	JQNJCQYNSLCFAC-QVIHXGFCSA-N	484.770	8.482	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c(OC)c1	34705911	CFEUKSSKKCOVON-WUXVYIAASA-N	499.596	5.087	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	34864683	UVTHTCGTJYYTLH-UHFFFAOYSA-N	469.516	5.318	10	40	JKCB	
CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@@H]3c2ccc(OCC)cc2)cc1	97965270	LYYLCDGJQSYBOM-JCIKJAKISA-N	459.550	5.917	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1	103450577	DKSOSSRFICHCIC-XMMPIXPASA-N	485.550	6.888	10	40	JKCB	
Cc1coc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N\c4ccccc4)c(N)nc3N)cc2)c1C	104090879	MFDBDDZCBDTELS-JOKXDOCYSA-N	490.549	6.087	10	40	JKCB	
Cc1cc(/N=N\c2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)ccc4c3)cc2)c(N)cc1N	104366422	HQUUYQCHBDOWJD-ZIADKAODSA-N	475.530	5.227	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1Cl	223349453	JWYOSCIFOZTTBN-BJKOFHAPSA-N	497.451	6.562	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608532	JDBNNLKEQJNDPE-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1	408801291	UWKNFMFPQWHPDG-CPNJWEJPSA-N	467.308	5.239	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)c1C	408803709	SKBAEGYENNHPSG-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1Cc1ccccc1F	408870518	GAXCRNPHQYASOS-HZHRSRAPSA-N	472.516	5.044	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408963759	ARMKIJFPYALHRR-IWIPYMOSSA-N	462.590	6.767	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1	409241087	XARIGWGMLAGXSL-KGENOOAVSA-N	494.414	5.195	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	409250225	MSXSODGPGQYAES-PCLIKHOPSA-N	485.653	5.920	10	40	JKCB	
Cc1cccc([C@H]2C3(O[C@@H](c4ccccc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)c1	677481	SDWFVBRQPHZKHT-NEEKEDPPSA-N	498.534	5.734	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S	1805140	WZGLGUGTQWIPDE-OVCORXIESA-N	455.944	5.627	10	40	JKCB	
O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(OCc2ccccc2)cc1)CO3	2113063	QDNLEBMQACEQST-UHFFFAOYSA-N	461.517	6.396	10	40	JKCB	biogenic
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCCO2)CO3	2116890	PDYROXLKJWMTLZ-UHFFFAOYSA-N	455.510	5.128	10	40	JKCB	biogenic
CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(F)cc1	3641619	XEBBJHZAHKGXLI-UHFFFAOYSA-N	457.505	5.931	10	40	JKCB	
O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)o2)c(Cl)c1	8843385	JRJKISYMBASXNZ-UHFFFAOYSA-N	462.358	5.659	10	40	JKCB	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)ccc1Cl	9763807	BPUOMXAUWVDETM-LXIYXOSZSA-N	452.679	5.679	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1c1ccccc1	13476501	NIFBHCRQGXSBEC-NTUHNPAUSA-N	471.195	5.323	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1	58846015	VQNPOUAQMLYKON-DFIYOIEZSA-N	484.543	6.641	10	40	JKCB	
O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58848274	WBWGZWCDDBOROR-YZUZCNPQSA-N	481.415	6.076	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	59198127	IUTHHMWLPOLCAZ-PDGQHHTCSA-N	451.276	5.118	10	40	JKCB	
Cc1cc(/C=C2\C=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	83309590	GPSIFJCVVDAIPA-DEDYPNTBSA-N	466.408	7.680	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C(=O)NC1=S	208469959	FTTGCFFMGBYHQU-XDHOZWIPSA-N	480.033	5.365	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1	222923440	JZGHPIMMQAXZQZ-SXOMAYOGSA-N	475.706	5.964	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1F	223459658	CZAACFCQLXYFAH-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1	225015695	SFFCYIJWULSSTH-BJKOFHAPSA-N	451.039	6.058	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408811740	WEZKUADEQADLDT-OEAKJJBVSA-N	484.552	5.174	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)c(C)c1	408819606	XZPCIPSLGPBXNE-KOEQRZSOSA-N	490.559	6.010	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Cl	408875257	IETPSDSNRHQQPG-ODLFYWEKSA-N	497.403	5.424	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1	408983781	COIFEMSKMFAZGB-LDADJPATSA-N	450.604	5.127	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)c1	409112597	FFOCELLQJHNGRH-SRZZPIQSSA-N	497.382	5.241	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1OC	409338647	NPADKNFWNYJYFD-GZTJUZNOSA-N	464.406	5.571	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O	2114769	NTZFNDLXFGNPJK-YRVHBCJASA-N	488.653	6.738	10	40	JKCB	biogenic
COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccc(C)cc4)cnc4ccc(C)cc34)CC2)cc1	2698991	BDINIAKNOFSHPK-UHFFFAOYSA-N	487.625	5.020	10	40	JKCB	
CCN1C(=O)/C(=C\C=C2/SC(c3ccccc3)=C(c3ccccc3)N2CC)SC1=S	3070013	AAYUBURRNWYFKI-IBPVTIBFSA-N	450.654	6.187	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NCCc3ccccc3)C2=O)cc1	8819794	ZTRPVJZLVZNFPH-PYCFMQQDSA-N	452.645	5.116	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	9188578	XGUBDDGOVJLFTG-XKZIYDEJSA-N	485.552	6.999	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9309250	DNKQFVMKEKZXKS-UODIDJSMSA-N	496.006	6.389	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	9434429	PPJVCUSZNPKKBH-PKAZHMFMSA-N	468.597	6.287	10	40	JKCB	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)CC1	9459501	BAFQBGVVAGDVSG-HAHDFKILSA-N	498.435	6.354	10	40	JKCB	
O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(-c2ccccc2)cc1	18180951	NBVUTOWQEBFCTK-KWXIBIRDSA-N	499.522	5.049	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	20353501	DCXHUDGOYLHMAO-GYGTVUFYSA-N	466.622	5.059	10	40	JKCB	biogenic
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c(C)c1	41108229	QZVWIRHKKDOFAU-NMHFRFNZSA-N	471.561	5.518	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C1=O	41108832	SINKRGIKLUMPMY-GJQHCVRFSA-N	496.954	6.256	10	40	JKCB	
COc1ccc(-c2c(C)oc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)cc1OC	41513825	KHGIXBBOOWJFIX-UHFFFAOYSA-N	453.579	5.605	10	40	JKCB	biogenic
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)SC2=S)cc1	59536638	WXSHPYRYJNUGGM-FYJGNVAPSA-N	482.539	5.668	10	40	JKCB	
COc1ccc(N[C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2c(O)ccc3ccccc23)cc1	104827737	OOWLJODKLCRGAD-HSZRJFAPSA-N	494.547	5.538	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)c1	208218031	JEUVSSRLTMKPRS-VYZAVGSRSA-N	463.603	5.392	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21	208443244	AAWRVBKVSHTHFG-NHDPSOOVSA-N	482.005	5.647	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Br)c1	222615489	AVMYULCMUUABPP-ITEAAPOESA-N	467.436	5.841	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	223060684	ZFKUYQIAVATJRT-RPWUZVMVSA-N	485.053	5.160	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223419372	HVMWFNSDLJEZEN-VSGBNLITSA-N	482.653	5.979	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1C	223861887	VBLFFJWYCRWWNQ-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224202099	QDNCTRAUSKYJKO-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224463011	UWDWUXZMUNMUDD-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1	408530474	LFQOVFUVQNQOPT-FYJGNVAPSA-N	464.593	6.460	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1	408803746	SYTFXCGOQXGTDI-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1	408868425	ONUKJVUMOAAVME-FYJGNVAPSA-N	462.908	5.299	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1ccccc1F	408874437	BKDHGLQTSHNABL-HYARGMPZSA-N	472.516	5.098	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl	408893346	FDNKMBLFWRKLGL-WOJGMQOQSA-N	497.334	5.247	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409004631	XVKKOHJZEUOBNT-WFSKJOQISA-N	454.570	5.836	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O	409068907	UMXDVCMPMILODY-SFQUDFHCSA-N	469.324	5.600	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1	409145713	PIUUAYIDMSGSGX-GOSISDBHSA-N	453.988	5.248	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409247259	CVSFUDJOIGQSCJ-VXLYETTFSA-N	460.748	6.152	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)c1	409329460	FUIZDLIVPPYRNL-ODLFYWEKSA-N	488.011	6.426	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1	409342748	FGDWQECCYAZBJW-HAHDFKILSA-N	463.580	5.689	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)c1	409344519	JOUFLGNMTYPXDD-ZDLGFXPLSA-N	480.474	6.364	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)SC1=S	409378252	NZUYVCDMPWQVCY-YVLHZVERSA-N	452.370	5.388	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nc2ccccc2s1	1804268	CJSLJHPSRTVPKH-WJDWOHSUSA-N	460.005	5.180	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12	1913319	KMRIFKUWLNEKFK-UHFFFAOYSA-N	453.888	6.460	10	40	JKCB	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21	3329376	RTGYKYBOKASQRX-FOCLMDBBSA-N	450.498	5.440	10	40	JKCB	
COc1ccc(C2=C/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)O2)cc1	6924873	NDJLOJPUXRBQIJ-MOSHPQCFSA-N	493.353	6.027	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	8442652	RPQFBESSZOJUTR-XDZXDJIYSA-N	487.599	6.546	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S	8763306	OHOLPCFRMMMANB-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	8783181	JVVADJZDSMGGOB-BGGLGBDESA-N	476.617	5.170	10	40	JKCB	biogenic,in-vitro
CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	8819840	BNKCRCGSOQJJFH-XLNRJJMWSA-N	484.643	5.494	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	17146059	HNELCBQFCUTVTB-HMAPJEAMSA-N	482.458	6.337	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	17241559	VKAYWIZBSNCWHB-IMRQLAEWSA-N	493.494	6.147	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@@H]3C=CC[C@H]32)c1OC	20033711	CEJPURLKVRROJN-VHFRWLAGSA-N	490.625	5.948	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	26965523	DSNSMOCQUFBQQG-DZUMZMOTSA-N	460.407	7.216	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	34262352	RCHZVHRPVWVFNH-NHQDZBNKSA-N	483.597	5.469	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1Cl	58848270	JUNJOZUHMXGEPQ-CEYNDMKZSA-N	495.000	5.974	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1	58865590	BQYVRPPICGJGPU-UHFFFAOYSA-N	491.765	5.825	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O	208218158	DDNAHZJNUQAMPR-RIWZNOJBSA-N	463.603	5.392	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C2=O)cc1	208517305	SPKBRXOJHBJYOP-HZHRSRAPSA-N	457.574	5.246	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C2=O)cc1	208520050	VARIDXAHFQLNDE-HZHRSRAPSA-N	473.573	5.082	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(F)c1	224013239	JWKKHCTUCCLYGZ-FTJBHMTQSA-N	486.572	5.534	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(Cl)ccc1O	224158912	SJQZAMUETJUMDE-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1	224462661	UDKDQTVYWKMOCU-JWQCQUIFSA-N	459.018	6.320	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c(OC)c1	224812846	HCDOMIAFDCEEPT-SVBPBHIXSA-N	499.640	5.387	10	40	JKCB	
Cc1cc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c1	408577840	USGLZEWUYUZGIO-NDENLUEZSA-N	454.617	5.239	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	408740868	ITSOPEHAKUALBZ-YBEGLDIGSA-N	477.756	5.738	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)c(OC)c1	408759263	ATETVJWWFCHGJA-KGENOOAVSA-N	488.996	6.715	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408762169	DCJAQTSGXJCTFK-CJLVFECKSA-N	488.012	6.464	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408903373	RWWQRSFVPAQFRR-HFITWMCCSA-N	493.357	5.446	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c(C)c1	408967462	RTPZWCZVPUOWDI-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OCC	408982761	FEWIELINBFWYQB-KQWNVCNZSA-N	463.574	5.875	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1Br	408985768	NERFKSOOEGHXSX-HAVVHWLPSA-N	496.404	7.472	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)C(c2ccccc2)=NN1c1ccccc1	409078287	IGAZLUPTRLIGEA-BWAHOGKJSA-N	482.942	6.893	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1	409243277	RMSBHUOWOMFPGZ-BKUYFWCQSA-N	463.990	5.196	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(OCC)c2)SC1=S	409328363	SXETZXPPIJAAME-MOSHPQCFSA-N	458.561	5.184	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	2283614	DIJFJYNPUKPAMG-UNOMPAQXSA-N	479.454	6.176	10	40	JKCB	
Cc1cc(C(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c(C)n1-c1ccc2c(c1)OCO2	3372952	RUGIHXLLABAGSQ-UHFFFAOYSA-N	499.614	5.914	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	3665363	UIUUKNPPJKXXOP-UFPGJGBJSA-N	499.479	5.369	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CCCC3)c1	6924508	XMGDIICUPGXKQQ-UHFFFAOYSA-N	482.602	5.526	10	40	JKCB	
O=C1/C(=C/c2ccccc2Br)SC(=S)N1CNc1ccccc1Br	8426977	AFWGBEBASGXQBM-DHDCSXOGSA-N	484.238	5.482	10	40	JKCB	
CCn1nc(C)c(N/C=C2\C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)c1C	8721678	ZSJMWKQPBFWGBY-XYGWBWBKSA-N	457.622	5.706	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1	8763480	GNRJEUPNBUCEOZ-CLCOLTQESA-N	494.726	6.584	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	9805600	TZJJUQNEEKXQKR-UDWIEESQSA-N	483.351	5.433	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(I)cc4)N=C3C)o2)cc1	9833536	LNAUXLZIWPOVLZ-BKUYFWCQSA-N	496.304	5.560	10	40	JKCB	
Cc1ccc(-n2nc(C)c(/C=C3\SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2Cl)c(C)c1	12862184	NESJGQOIUIATGC-ODLFYWEKSA-N	484.002	5.555	10	40	JKCB	
CCCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	13809884	FCXHAQCLPQMBCH-RCCKNPSSSA-N	465.596	6.352	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21	22419030	OYQAFKGZPPJJFY-DEOSSOPVSA-N	464.997	5.340	10	40	JKCB	
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	28628575	DUJQGCYSRMFPCY-HAAGPQJTSA-N	455.517	6.499	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1Cl	41076754	GHEBHZXAVOCNQI-GXMOOAJBSA-N	463.950	5.316	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	58845775	OLQULLBZSCCJHZ-OUDXUNEISA-N	491.569	5.539	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2	58849716	RTRPNOOVUSIOGJ-OREGWCPLSA-N	460.599	5.939	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OC	59861203	VNHWLRWSOFEVGH-MHWRWJLKSA-N	487.350	5.370	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223007119	XZLKMIBLFCBELI-FCHUYYIVSA-N	474.552	5.127	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)c1	224533281	CLXZZYJYOMCHQU-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	260917937	KBOOKPSUZMVKNS-RPBOFIJWSA-N	456.615	5.596	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(Br)c3)SC2=S)cc1	408601856	LRRHQTFYQOBZNI-ODLFYWEKSA-N	478.433	5.898	10	40	JKCB	
C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Nc1ccc3nc4c5ccccc5c5ccccc5c4nc3c1)C2	408734845	FYEIURDHPNHSPN-ZJOUEHCJSA-N	490.676	7.543	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2cccc(C)c2)cc1	408753783	NRQJPGOAZGNYIP-OEAKJJBVSA-N	451.353	6.535	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)ccc1Cl	408783132	LELSVUJESMWPJU-CPNJWEJPSA-N	474.900	5.815	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1C	408815622	IFZBKRCAAXVPEW-YBFXNURJSA-N	465.912	5.170	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)c(C)c1	408818940	ZBIYQWAMKZXXEH-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
CCCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408871954	IHQRYRPQCKUDBG-UHFFFAOYSA-N	476.532	6.212	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c1	408931620	NZPNITBSMITMOU-ZDLGFXPLSA-N	457.269	5.045	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)ccc1Cl	408969313	LLDNDZRWDWFLQK-WJDWOHSUSA-N	460.795	5.647	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)cc1	408972871	WMTIDEDVMJNWGN-SXGWCWSVSA-N	479.816	7.052	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409191243	FGJPQWRQFUQGDL-LFVJCYFKSA-N	480.033	6.835	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409343579	DYXAUMIUTWUWGT-PXLXIMEGSA-N	487.568	7.443	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)c1	409343907	DTIXBURCJUXXGG-DEDYPNTBSA-N	467.597	5.572	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCSc1ccc(Cl)cc1	2958338	BLQFFTMMGYCOEF-PDGQHHTCSA-N	452.022	5.351	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1	8821448	SLDITQGRJMCERW-FYJGNVAPSA-N	490.433	6.706	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	8821475	PAAUIOIJQMBKDR-VUVCFOEZSA-N	480.405	5.554	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1	8872148	URTDUHXCTRZCDL-XSFVSMFZSA-N	488.370	7.733	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)N=C2S1	8984075	LPONYADCVWQLCZ-FDLDKBQRSA-N	482.993	5.737	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)ccc1OCc1ccc(C)cc1	9189390	VZERXFLDLGNMRL-JCMHNJIXSA-N	485.627	5.429	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cc(C)ccc2C(C)C)SC1=S	9957626	DGHFDMORDBJLHG-HMAPJEAMSA-N	476.063	6.451	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1	20408103	PCUOWVNGZOGIGF-IWIPYMOSSA-N	461.608	5.984	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@H]1CC[C@@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@H]4CC[C@H]3[C@H]1[C@@H]42	37246227	WVSXJYGUVHEAPF-OIXGNKSYSA-N	465.593	5.781	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1	41108493	RCNQWAKECUHZOK-VZKFJVGXSA-N	463.607	5.467	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	58846144	KDGNKCIMNGOGLV-VVZHRXSXSA-N	474.582	5.575	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58847518	ZGBQFCQNEYYQTH-YZUZCNPQSA-N	471.409	6.621	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)c1C	59104943	AMBFCMVKUNWBJN-UDWIEESQSA-N	496.394	6.778	10	40	JKCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl	103919928	WBSSFVQBCUNANZ-ODLFYWEKSA-N	475.357	5.255	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C(=O)NC1=S	208464239	FQLYBYYWOJZVRA-KGENOOAVSA-N	459.615	5.020	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222968761	SWPGGRWPMVKERZ-DHIUTWEWSA-N	473.473	6.569	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223540569	OAFGDUDTGMEJDS-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21	224155613	RYVFFLDGBQGHAH-JWQCQUIFSA-N	475.061	6.544	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Br	225015968	IQXVEOPODMGODT-DNQXCXABSA-N	495.490	6.167	10	40	JKCB	
COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1	408576760	QZPFKQNSTJFSEG-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1	408758528	LVVAJSTVYJBIQZ-DEDYPNTBSA-N	472.169	6.590	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1OC	408761089	HPWPNHABTYUMBI-UDWIEESQSA-N	497.776	5.954	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409056737	SZSLKNAAEZHNMJ-JCMHNJIXSA-N	460.961	5.933	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)c2C)cc1	409215546	AWYSKGYACVYJGV-XKZIYDEJSA-N	495.988	5.431	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409329711	HIFQUBMPKZCXEW-SSDVNMTOSA-N	481.982	6.054	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4OCc4ccc(C)cc4)S3)CC2)cc1	9188214	MDWIDYIWRSKJPF-DIBXZPPDSA-N	499.636	5.375	10	40	JKCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OCc4ccccc4)S3)CC2)c1	9680372	FXTYTQLIVPLHSH-LGUFXXKBSA-N	469.610	5.367	10	40	JKCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2)cc1C	9849589	FZESSQHDZYGXJO-JLPGSUDCSA-N	479.623	6.146	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	13811569	LRTCALRIUDGVGK-CLKZTBQTSA-N	490.629	5.817	10	40	JKCB	
O=C(O)c1cccc(-n2cccc2/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c1	13898874	KLAMRSKPYZXWSM-RVDMUPIBSA-N	486.336	5.154	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	14009544	BLVRYUFSBGCKKH-QJOMJCCJSA-N	458.533	5.149	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	14009555	HMGBUBJAXHMCLH-ULJHMMPZSA-N	488.559	5.157	10	40	JKCB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2c(O)c(OCC)cc(Cl)c2Cl)N3)C1	15947014	HVPSULGVHHEBFB-QGZVFWFLSA-N	486.377	5.103	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OS(C)(=O)=O)SC1=S	41108523	DLLZTGCSCCOMLM-NVNXTCNLSA-N	474.412	5.046	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847701	PDRWCTUICOSWHG-SRGWNRLKSA-N	489.399	6.760	10	40	JKCB	
Nc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1/N=N\c1ccccc1	104090864	LKLLYUYCKZADMU-LBXGSASVSA-N	479.551	5.334	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223386573	VTAWPDZSNPUNNF-KAYWLYCHSA-N	468.626	5.670	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223537943	KDFXHUVQDNSBCF-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224300270	IEHWLSXMQVNUCI-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224622882	VATRDQZMBZGDKK-FTJBHMTQSA-N	498.608	5.158	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c2C)cc1	408735756	WXZCKWCSTZMHGU-UHFFFAOYSA-N	475.614	6.307	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1	408738448	KVDPCHSJJYLTTK-LTGZKZEYSA-N	474.354	6.097	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)c1	408789454	KWHDIIUHJBJOOX-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408950444	KGIWUYMHWRJFHY-ZMOGYAJESA-N	472.610	5.543	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccccc12	409037939	UWBZXOAQEDQTPD-YVLHZVERSA-N	499.414	6.330	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1	409055322	YNFMFXJWFFDJEM-NDENLUEZSA-N	459.514	6.675	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409173714	QPPBVVINAYHVHS-FMTVUPSXSA-N	465.731	5.854	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	409213984	VUPJUPNRNJTGQF-NDENLUEZSA-N	452.513	5.578	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1	409329161	DFVACYPZHZSLET-WQRHYEAKSA-N	476.804	6.768	10	40	JKCB	
O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	409333463	JYEOUNKWILOIKT-UHFFFAOYSA-N	495.494	5.956	10	40	JKCB	
COCCn1c(C)c(C)c2cc(NC(=O)c3cccc(-c4ccc(OC(F)(F)F)cc4)c3C)ccc21	643551713	HEWXVIHDWKIRJU-UHFFFAOYSA-N	496.529	7.031	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc2c(-c3ccccc3)cc(=O)oc12	1614467839	INEPBNWDIOGOER-NHSXKEGBSA-N	496.651	5.869	10	40	JKCB	biogenic
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc2ccccc12	1092448	STDVJUPLJIZSOB-HAHDFKILSA-N	469.928	5.567	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21	1205760	PESCCEZGVKWHSN-UQQQWYQISA-N	486.618	6.135	10	40	JKCB	
CC[C@H](C)n1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nc2ccccc2c1=O	3442655	PYAVCQGRKFKIQT-INIZCTEOSA-N	489.597	5.479	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)cc1	9424567	QXTPDOBCUFXTSA-MSYYJCCKSA-N	499.665	6.167	10	40	JKCB	
O=C1/C(=C\c2ccco2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21	9444400	WQSMYGNUTZPGPU-XSFVSMFZSA-N	464.593	5.700	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	9660234	ZYWWDTXZXQDRAF-CLKGNMONSA-N	476.602	5.571	10	40	JKCB	
Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)C4CCCCC4)c(O)ccc3c2=O)cc1	19792872	ONBJBKDFPHSUQN-UHFFFAOYSA-N	461.480	6.383	10	40	JKCB	
COc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	33430398	HMPYDCTXQNLGJV-BWAHOGKJSA-N	491.634	5.945	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58845683	XMRVCYHLAVBTBK-CEYNDMKZSA-N	450.991	6.276	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc(Cl)cc(Cl)c2)cc1	103922323	OEXCBHASHSUIPJ-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314477	SUIWYWGLAHFKEP-BUUDZMLXSA-N	481.065	5.602	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223504003	LNAFAUFUGOZFRB-IXCJQBJRSA-N	481.669	5.928	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1	223559798	VVSWNHJGHKODLX-WQZUMXOESA-N	475.658	5.635	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c(C)c1	223862933	RRJVTKYHVJOESO-IXCJQBJRSA-N	482.653	6.297	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224335335	QQTFAFIOINPBAY-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1O	224465612	ODQIYSKGSVUJBH-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224470666	OGZWCLOMDMYZMY-BJKOFHAPSA-N	474.033	6.023	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1	224804715	KKLVTEKSCUTIOT-IZLXSDGUSA-N	498.652	5.992	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1F	224900164	LMRYADXLYUXDTA-CLJLJLNGSA-N	472.589	5.819	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408600933	HJZUHFCTIRZOJT-MHWRWJLKSA-N	461.688	5.573	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408774809	CXZGLPSFSCIGQX-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)c1	408804917	CHZZJELLXLKLHA-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	408847208	PZDYRQIUYOKZHE-MHWRWJLKSA-N	476.772	5.269	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Br)cc2F)c1C	408902175	LKGYGDHMIOXDOI-UDWIEESQSA-N	452.327	5.802	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409017301	YJGBMTUKAAISDP-NHDPSOOVSA-N	496.394	5.669	10	40	JKCB	
Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccc(C)cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1	409057470	QNPVEPCQCYSSIS-IBGZPJMESA-N	496.698	6.569	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)o2)ccc1Br	409125258	JOFCWWWBRVGJBT-ZDLGFXPLSA-N	460.374	6.012	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl	409149321	BLZQPFNSFIFYAR-HXUWFJFHSA-N	450.025	5.355	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O	409248706	ICCKUOHGRXTDCU-YZSQISJMSA-N	492.579	5.341	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c1	409330230	KFRXJJUQAJXXAI-LFVJCYFKSA-N	460.624	6.046	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)c1	409344271	IOUZNCHROQVJTD-XQNSMLJCSA-N	479.648	6.272	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1O[C@H](C)CC	409346841	OIHPZDDNTOYQPZ-QFNCUCFLSA-N	456.633	5.734	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c2c3c(sc2n1)CCCC3	1896274	HPYBDWBPKLTLJA-UHFFFAOYSA-N	475.683	6.878	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(Br)c1	8450644	AKCIBSLTBQBTQJ-RRHMFZOISA-N	496.312	5.038	10	40	JKCB	
CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	12623698	YOAKBZPSTNBHCR-QVIHXGFCSA-N	459.546	6.350	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nc2ccccc2s1	13786081	VBEOJDDRVGMNHI-ATVHPVEESA-N	474.032	5.570	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc1	13941866	XYVUVIKAFSFPJN-HYARGMPZSA-N	491.341	5.003	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16033681	QLFPNAWQGVLPOU-KKUQBAQOSA-N	467.952	5.671	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1	26465577	QRDUYOFYKMZXBD-BOPFTXTBSA-N	457.269	5.769	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccccc1OC	33430246	AKYRJKKTETXPPZ-ZHZULCJRSA-N	494.034	5.426	10	40	JKCB	
Cc1nn(-c2ccccc2)c(C)c1/C=C1/C(=N)N2N=C(C34CC5CC(CC(C5)C3)C4)SC2=NC1=O	41074374	OECGWURPBLDQLQ-FJNGZZIXSA-N	484.629	5.325	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1cccc(C)c1	59135225	QXEKHSVJMJTBSP-RGVLZGJSSA-N	494.906	5.882	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59138974	LVVRCGLGQBQWEB-USHMODERSA-N	489.575	6.294	10	40	JKCB	
Nc1c(/N=N\c2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	100367584	SEKGXFZFHGAXJW-RTEQKXTASA-N	469.526	6.131	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1Cl	100524872	ZZCMIKJGLRRABO-GSWFEHRJSA-N	475.317	5.900	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1c(C)cc(C)cc1C	100524885	AWKYGGIXMIEMTC-RMBMZXQHSA-N	482.407	6.373	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(C)cc2N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1	102577803	HAUNMROTZDVDKT-QVIHXGFCSA-N	492.491	7.220	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223051840	NYAGXGAVYARIBG-XZOQPEGZSA-N	488.579	5.517	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223059415	YJFWXPCPSDKFNM-RPWUZVMVSA-N	469.054	5.460	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223428910	WBVMEDAWLUAOEH-IZZNHLLZSA-N	483.641	5.374	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O	223559318	NLYPUHQPFHUYRD-LUJYGJGBSA-N	459.590	5.416	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223824946	OSPGOYIBIJNUQB-RRPNLBNLSA-N	483.641	5.768	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1	224239626	PSWZRQOLCHBYFF-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	224337267	XYQCXJUIMCTSDB-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)N21	260756118	DJGKBUKACJTHEK-XARZLDAJSA-N	453.055	6.346	10	40	JKCB	
CCN(CC)c1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])c(OCc2ccc(Cl)cc2Cl)c1	408541641	DUZHRXQEPVMDSD-FLIBITNWSA-N	476.360	6.794	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(F)c(Cl)c2)o1	408601266	JKROMJPHLPNHGP-LCYFTJDESA-N	479.678	5.712	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(C)c(C)c4)ccc4ccccc34)C2=O)c1	408814391	PDTVBVBQBZZQIF-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4cccc5cccnc45)o3)C2=O)cc1C	408990763	LUKKDZOZNICWCV-XSFVSMFZSA-N	469.522	5.262	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1cccc(F)c1	409033718	PCHUQAZCHYORNF-GRSHGNNSSA-N	465.999	5.924	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)o1	409036570	RSLKNHKOEFTPJB-MDWZMJQESA-N	493.344	5.365	10	40	JKCB	
O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1C[C@H]1CCCO1	409084070	WJFDHGHVEMZHFP-BDBXIWDTSA-N	490.444	5.408	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1	409349761	WFHAEFNQKYRIJD-ZSOIEALJSA-N	455.742	5.417	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1C	3139622	UNYJBJHNFKIUEY-UHFFFAOYSA-N	487.986	7.857	10	40	JKCB	
Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(-n4c(C)ccc4C)cc3)nc3ccc(C)cc23)cc1	4121880	RNGSRBFRKKEFTL-UHFFFAOYSA-N	488.587	6.966	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)SC(=S)N1c1cccc(F)c1	9849514	BLCXNPOWEUCUPP-NHDPSOOVSA-N	473.953	6.603	10	40	JKCB	
CCN1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	15947305	YAIWIHZECDHRQK-QFIPXVFZSA-N	453.995	5.505	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	20036220	IUNRDEGMWKZCCI-XYGWBWBKSA-N	493.047	6.619	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c3ccccc32)cc1C	20059427	FXYGVCIOUSERKP-MWAVMZGNSA-N	484.599	7.556	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1	27527899	PAAWPIBWBXLRMC-JWGURIENSA-N	484.067	6.917	10	40	JKCB	
Cc1ccc(/C=C2/SC(N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@H]3c3ccccc3)=NC2=O)cc1	51330096	WXSSLMSYHIVNMT-XMGXRYAASA-N	489.644	7.262	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c(C)c1	58846207	IZCOKDDCVSBZFF-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)c(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1	58851397	LSQNKYBXGNUWLX-IMWIBFENSA-N	491.245	8.706	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21	208190753	KBMLDJBLMHHSRP-XDUBLRSXSA-N	472.372	5.382	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223533953	WAOLXRVNRNOPEQ-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	223838984	AZOXQBARAFZEKF-UIOOFZCWSA-N	454.599	5.757	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	223846623	YRWJWURSTQTXNP-JWQCQUIFSA-N	491.060	6.249	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224203165	LKYFSMFTECCACR-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1C	224403016	BDSLQHVOSBGPMN-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1C(F)(F)F	260762649	GXZMLBBQNAHFAQ-UJUVCNOISA-N	456.537	6.097	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1	408531213	OWTYYWWNZULAIR-IUXPMGMMSA-N	497.425	5.207	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccc(F)cc3F)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408604661	VZUTXICLMCGFSA-UHFFFAOYSA-N	486.499	5.973	10	40	JKCB	
Cc1cc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1Br	408671049	SDFKINFZDCCAQW-UHFFFAOYSA-N	455.352	5.269	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	408737797	HKGALLGTKKDLSM-HAVVHWLPSA-N	476.488	6.529	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1	408739266	APWBTBQUZXPMBD-UYRXBGFRSA-N	495.329	5.083	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1	408765017	YQIPQQPDNUUJLI-XSFVSMFZSA-N	461.945	6.227	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Cl	408780404	CDXMRXXUQKYKDN-LDADJPATSA-N	454.313	5.067	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccccc1	408817889	WNYDZHWONOYWBM-DEAZHAHRSA-N	470.662	7.148	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(Br)cc1	408840010	ADRGQMRXUOCDCE-CJLVFECKSA-N	476.374	5.358	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C	408848228	RGDYDBFIBQEBQU-QGOAFFKASA-N	498.435	5.795	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4CC)c3C)C2=O)cc1	408858418	YYYXDPWKRYTFLW-LFVJCYFKSA-N	471.557	5.030	10	40	JKCB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408895529	LAXVHDFGBASSQV-JLPGSUDCSA-N	494.522	5.841	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)N(CC)C(=S)N(c2ccc(Cl)cc2)C1=O	409015420	ZRXOLDPDPHDGDB-CSUZIONRSA-N	493.028	6.234	10	40	JKCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C1=O	409020619	RCUWBPHPFQSPME-NSMHLIOHSA-N	492.557	6.024	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409061782	HYMABMKYLASANO-XYGWBWBKSA-N	474.532	5.509	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)NC1=S	409086596	RDNDCARYRSGFDK-BOPFTXTBSA-N	465.800	5.149	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1	409131815	YEJKXZKEMOZYHM-BWAHOGKJSA-N	470.619	6.516	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O	409238353	NDJFKBMLBDOJJZ-QGOAFFKASA-N	450.947	5.112	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	3338188	RGZWSRKRQXTSLG-UHFFFAOYSA-N	477.344	5.214	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	3772302	MEYSWEUQWMUWHC-UHFFFAOYSA-N	470.352	6.140	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	8819843	UEQJGJZWLIMMGU-JWGURIENSA-N	468.644	5.712	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccccc2)N2CCCCC2)c1O	11867316	VIUCQNIGRUFRKM-QHCPKHFHSA-N	460.599	6.068	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	12436859	QOINWNFJHCBOQS-PXLXIMEGSA-N	484.408	6.046	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1	33335228	HICWYLQIQASCBY-XYGWBWBKSA-N	483.568	5.526	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	33579980	ZVJHIJXWBBNEEJ-WQRHYEAKSA-N	494.997	5.116	10	40	JKCB	
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58848362	KDNKMZLOMPHMGE-YZUZCNPQSA-N	470.516	6.333	10	40	JKCB	
COc1cc(/N=N/c2ccc(N)nc2N)c(OC)cc1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl	104229749	GUAWFFBKFCAZJW-COGCMUBNSA-N	491.295	6.309	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12	112296903	DXNHPLZHWDYQSL-HAHDFKILSA-N	478.021	6.040	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	223389734	BGTGHYKOOCDXNN-RRPNLBNLSA-N	482.609	5.391	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1	223758458	JPIYYVKMERCAMN-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	224333864	JVCXJPZVQFXGID-RRPNLBNLSA-N	452.627	6.229	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1	224435289	CAKOXMYBTZNNHZ-KAYWLYCHSA-N	485.632	5.871	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C(=O)NC1=S	260567282	KEJWEGZWKJQLBK-AQRZYSDFSA-N	461.631	5.111	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4ccc(Br)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736148	IBXPKTXGQRDZCH-SLSDLSHTSA-N	466.806	7.508	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	408849064	YPACBIVJHWGZDJ-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)c1	408891268	NUAZYCKSSINZQQ-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2Br)cc1	408915790	YQIWMETXFVTMNU-WOJGMQOQSA-N	497.370	5.477	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(Cl)c1	408946144	YEXKIBSBCVEPRO-LPYMAVHISA-N	481.379	6.777	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccc(Br)cc3)c12	409130999	OUEAWTASBXNBGR-ODLFYWEKSA-N	471.445	5.846	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OC(C)=O	409178285	LTUCGYDTTVNSKK-GIJQJNRQSA-N	451.928	5.209	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C	409249340	NLLOXDBIFBYBIX-YBFXNURJSA-N	482.367	5.684	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)c(Br)c1	409255720	ZMEVZSXOLQEBPG-XDHOZWIPSA-N	495.398	5.466	10	40	JKCB	
CC(C)c1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	409335667	YGDFZWQMGUVPJQ-LFVJCYFKSA-N	488.634	6.233	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1C1CCCCC1	409345136	JXVYMZHIQMVKLQ-KOEQRZSOSA-N	459.636	6.953	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	631999	XUTHHHSXNYCYAL-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc12	1916174	KASFEJPHUMQAER-UHFFFAOYSA-N	497.941	7.202	10	40	JKCB	
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c1	2666930	CANLKSNAGNMGCZ-XKZIYDEJSA-N	461.656	6.322	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1	8821901	QCTFRYNYIZQPAJ-LICLKQGHSA-N	459.310	6.034	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)cc1	9310429	CNOAZTNISLTINO-UDWIEESQSA-N	485.970	6.103	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cccc(OC(F)(F)F)c2)cc1	20289228	MQLUHBFSALSNBW-JCMHNJIXSA-N	485.437	5.870	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)N(c2ccccc2)C1=S	32109818	CBUZCQDTDKLEGY-LTGZKZEYSA-N	494.414	5.194	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	40937818	XXGGYQBBUXQYAJ-RQZCQDPDSA-N	468.383	5.248	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)N1CCCCC1	44086385	LZGSPXBJBUAAJN-UHFFFAOYSA-N	470.436	5.466	10	40	JKCB	
COc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc(Br)c1OCc1ccccc1	58865580	PTXKXZYWRGQKTO-UHFFFAOYSA-N	487.346	5.181	10	40	JKCB	
CN(C)c1oc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc1Br	59104932	LPKVDRFXXLEYSD-RMKNXTFCSA-N	489.178	5.087	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12	59139771	FPHXHKABZLZNFM-UHFFFAOYSA-N	495.000	5.070	10	40	JKCB	
O=C1/C(=C\Nc2ccccc2-c2ccccc2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	103538221	CFHPSBPHYMCLED-VKAVYKQESA-N	464.472	6.224	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)S2)cc1	107828718	OLPFXDUGFHHWFW-UUYOSTAYSA-N	469.393	6.963	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1cccc(Cl)c1	208650728	CHMHNFLISJFQQF-NHDPSOOVSA-N	490.408	7.117	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C)o2)cc1	208784120	AMIOWCFKEZTSMT-CPNJWEJPSA-N	478.888	5.281	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1C	223540384	XJTZDGINZKPRGY-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223540888	YVMKTMUOINCTTN-BDYUSTAISA-N	467.642	5.674	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223727202	YHOOADGEGKTTQA-VPUSJEBWSA-N	490.673	5.340	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223855975	YINNNJKZHDIDIK-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C	224274043	OANBGOPTKOUZKF-IZZNHLLZSA-N	467.642	5.987	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224432078	FTLFLMTZOZWGIF-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	224481163	FVUQBSBWGSHOML-DQEYMECFSA-N	475.017	6.020	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)SC1=S	408573705	JZBQRXLWQCVUBU-WSVATBPTSA-N	481.426	5.621	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(Cc2ccccc2Cl)c1	408865077	AXGZYBFTDMGCFZ-FYJGNVAPSA-N	495.362	5.568	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408879304	DVVWSHRWTILZRV-PCLIKHOPSA-N	482.580	5.576	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O	408885807	BBNHMBQUWBUKTA-UYRXBGFRSA-N	495.362	5.801	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C	408902497	OOSJVDSXTILZBW-GZTJUZNOSA-N	464.406	5.651	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1	408969074	GUUQNWPUONYNPZ-UYRXBGFRSA-N	491.296	6.921	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1	409229345	NRKUCYJEHGHGRP-FSJBWODESA-N	477.561	5.525	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OCC	409230971	AJEFPRXHGSPWSU-WOJGMQOQSA-N	472.994	5.092	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	409328654	ZLZZRQBLYMWLGZ-HZHRSRAPSA-N	474.607	5.414	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O	409328985	BOTZVGKTPUOYNT-ULJHMMPZSA-N	462.640	6.491	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC	409354315	BXSOTUCQSZCOIS-NDENLUEZSA-N	489.640	5.155	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	2204825	VDWWCWVYFZMBGD-RGEXLXHISA-N	481.668	5.546	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1	3139500	PVWNPRIVLRKUDX-UHFFFAOYSA-N	473.959	7.549	10	40	JKCB	
CCc1c(Nc2ccc(Cl)cc2C(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1	8426535	WHCNPGPUVGVFIY-UHFFFAOYSA-N	497.425	8.746	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1	8914545	KUYXJDDDVSUKHM-PJVCEZMGSA-N	456.542	5.119	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1	9232597	UMPWHMURWDEZCI-XQNSMLJCSA-N	490.606	5.386	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310281	LJRHXSMIEVGAJO-FYJGNVAPSA-N	493.522	5.488	10	40	JKCB	
O=C1/C(=C/c2ccccc2C(F)(F)F)SC(=S)N1N1C(=O)c2cccc3cccc(c23)C1=O	12958935	PZUVORXORYRKBK-BOPFTXTBSA-N	484.480	5.271	10	40	JKCB	
COc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(c3ccccc3)CC2)c1O	13098095	RNDKVHIPVXAVBD-UHFFFAOYSA-N	467.569	5.129	10	40	JKCB	
COc1ccc(Oc2c(C(F)(F)F)oc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)cc1	19789765	VXFBDWSGNJTORB-UHFFFAOYSA-N	493.522	6.432	10	40	JKCB	biogenic
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)O2)cc1	33927644	NDJLOJPUXRBQIJ-DEDYPNTBSA-N	493.353	6.027	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1OC	35039663	XUUSLOVZZOEVJJ-HMAPJEAMSA-N	486.014	6.061	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59138982	ISTXYFJWWMEWSA-ZXVVBBHZSA-N	481.596	6.502	10	40	JKCB	
CN1C(=O)C(=Cc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)C(=O)N(C)C1=S	59139465	RNVMVIWYWBDKAP-UHFFFAOYSA-N	485.392	5.324	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)N(CC)/C(=C/C=C1\SC(=S)N(Cc3ccccc3)C1=O)N2CC	100549534	FAEMIBLOKYLULJ-OQRYGUKSSA-N	493.654	5.315	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223802538	JFQYBQBPYAQIMR-VMPREFPWSA-N	496.680	6.682	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C	224271615	WSSGDDACVZYMPU-LMSSTIIKSA-N	480.681	6.900	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1F	224367076	FGQUXZQHGNLBMI-IZLXSDGUSA-N	484.644	6.929	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224401448	ORLCKLFTKQSOIJ-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc2ccccc12	224430440	FADKIHDTECBTGL-URLMMPGGSA-N	492.623	6.959	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1F	224898793	WUXSLBCTVKHMNC-FTJBHMTQSA-N	474.580	6.253	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1O	225345011	CZHZYCUXMVXXLF-VSGBNLITSA-N	498.652	6.159	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cn1	408739011	RGKWTSFJNXKNLD-LDADJPATSA-N	463.331	5.333	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)S2)cc1	408777941	MRSWOSIJWWXDDZ-SEXPAEGTSA-N	472.441	6.563	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Br)cc2)cc1	408843953	SXBMOJDYAWJKFW-KGENOOAVSA-N	462.303	5.500	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cc(C)cc(C)c1	408885514	BGBKEROYXDVQCR-HAHDFKILSA-N	486.593	5.112	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl	409041028	HZGLPQUHGMDEJS-VGOFMYFVSA-N	467.736	5.410	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409062730	ZVFMJJNOUYBUJS-ONUIUJJFSA-N	498.623	6.295	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S	409194278	JISJYWPIIVMRJD-FYJGNVAPSA-N	455.004	5.875	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OCC(C)C	409328779	AYJRHKYZHRTGMC-NHDPSOOVSA-N	478.035	6.188	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)c1	409333350	SAPXWFJZMVMDKC-XDHOZWIPSA-N	453.566	5.773	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1	409346596	KSOAOADGXYAAAK-UDWIEESQSA-N	452.513	5.578	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=S)N=C3O)c2C)c1	2261761	DYCUKMDGCQDHOI-WSDLNYQXSA-N	463.990	6.036	10	40	JKCB	
CCCCc1ccc(Nc2cc(Br)c3ncnc4c3c2C(=O)c2ccccc2-4)cc1	3067600	HKINBFVWMSBJPO-UHFFFAOYSA-N	458.359	6.690	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)cc1	6798469	HTSIAYXJPZYSEK-PDGQHHTCSA-N	481.371	5.157	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	8819985	MGSIUUFFPHVQNU-JCMHNJIXSA-N	498.626	5.214	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	8821374	QQPXMPLPPNUVCH-JLPGSUDCSA-N	496.053	6.372	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(C)c5)c4C)C(=O)N=C3S2)c1	9192340	OYFOZOLSZKBVLR-BIRLBKGPSA-N	453.571	5.378	10	40	JKCB	
CCCn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21	9465917	PEHPKPSUUNPYKY-UHFFFAOYSA-N	465.578	5.800	10	40	JKCB	
Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccccc2)C1=O	13894012	GIOJNKIBAZFZAM-HMAPJEAMSA-N	462.552	5.888	10	40	JKCB	
CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2c(CN3C[C@H](C)O[C@@H](C)C3)c(O)ccc2c1=O	19792861	JEEJNSSKDTWJGZ-HOTGVXAUSA-N	491.506	6.042	10	40	JKCB	
COc1ccc2[nH]cc(CCN/C(C)=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)c2c1	20288120	NXXZAWGDOYQQKH-XHPQRKPJSA-N	450.542	5.034	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1	32109409	YBZUPMFTBVPCFL-ZXSHFGCASA-N	490.629	5.717	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccc(F)cc1	34846671	CTNXRSVPLBXJGR-GRSHGNNSSA-N	496.423	5.787	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	58846853	TXCBNTOSKSFKRA-CLCZQPDDSA-N	489.597	6.346	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O	108012160	CZOVCJPICXEDDS-JAIQZWGSSA-N	473.957	5.063	10	40	JKCB	
Cc1cc2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2nc1-c1ccccc1	215745210	DTWNJEQWWIEUAW-UHFFFAOYSA-N	486.597	5.707	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)nc1	223903677	OQKXPHCAGWWXER-RRPNLBNLSA-N	482.657	5.436	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C	224265912	JLITUCNBSSNHIU-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O	260572468	VVYHWGFHUXOHBL-IYSPOMMRSA-N	465.981	5.291	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260921087	OHTWWPJNXHZIHW-CLJLJLNGSA-N	470.642	5.899	10	40	JKCB	
O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl	408776754	QHVJZPNWVAYLHZ-JXMROGBWSA-N	463.626	5.332	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408868263	PCIATDULWLMDDF-RGVLZGJSSA-N	499.325	5.398	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1	408880953	JMXNDYIPSFIISZ-OEAKJJBVSA-N	490.943	5.211	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)cc1	408888551	WYMDFYWSKWJVBP-KOEQRZSOSA-N	494.522	5.787	10	40	JKCB	
O=C(Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21)Nc1ccccc1	408901815	HJGUJGRQDXIUAX-HZHRSRAPSA-N	469.591	5.686	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)ccc1Cl	409328362	SWZQVKPVXWDAOG-DJKKODMXSA-N	485.926	5.433	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O[C@@H](C)CC	409329278	DDOPEIAENWIHMZ-GHOUAXAESA-N	482.454	6.975	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c(Br)cc1O	409340000	OINLEVYLVAMJQT-RQZCQDPDSA-N	450.379	5.268	10	40	JKCB	
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O	1568075	ZXODOMROLXVJNM-UHFFFAOYSA-N	466.412	7.500	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4Cl)c(C(F)(F)F)oc23)CC1	1747685	RUQSTZJRIFLUOQ-UHFFFAOYSA-N	486.317	6.723	10	40	JKCB	
FC(F)(F)c1cccc(N2CCN(C(=S)c3ccc(-c4ccc(Cl)cc4Cl)o3)CC2)c1	2437547	BFSJVBYYTOLAAS-UHFFFAOYSA-N	485.358	6.770	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9159632	RGSOCVRCBMLVOG-HZFUHODCSA-N	482.539	5.398	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1OC	9973253	YPCRVBIKXZIYHK-HCGGYXKBSA-N	485.820	6.915	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13810824	ZETLLHAHAVBLBM-XVCGDLFISA-N	452.583	5.961	10	40	JKCB	
COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	13899269	UJCTYHIZWMODQD-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	13943100	HIPVYPWDGMMRGE-MLDLNWIHSA-N	477.889	5.176	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1	16292462	SKTQWUQYVWLTSA-MYYYXRDXSA-N	491.634	5.993	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c1OC	16349770	IVNOVTIKTLIVNY-UZINWLIJSA-N	476.598	5.640	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16399945	SZADRLACYZVNDD-WQRHYEAKSA-N	453.457	5.169	10	40	JKCB	
O=C(C1=CN(c2ccc(Oc3ccccc3)cc2)c2ccccc2S1(=O)=O)N1CCCCC1	21359427	VUAODURNIJBMQZ-UHFFFAOYSA-N	460.555	5.258	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1	26965732	XZXJQCIGHABCMS-HAHDFKILSA-N	475.591	5.624	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	35843237	CHRGOZMUFAEYQE-DSNGMDLFSA-N	471.915	5.502	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1	41084169	UXUQPYYLQCQFGZ-FHCRMUMWSA-N	482.613	5.670	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	58846327	SDRCFPQNOVGXMZ-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847698	CPZSBPXKLVEBQV-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCC)cc1	59435385	FUJIUJXPVVQPSF-ZHZULCJRSA-N	456.336	5.115	10	40	JKCB	
O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1ccc(/N=N\c2ccccc2)cc1	100841886	LRRSYWKWAXRJEL-RQZHXJHFSA-N	456.299	6.818	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222875127	POFWFXZLINXPEM-VXKWHMMOSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1Cl	223225810	VPFDIFALVYQBNZ-RPWUZVMVSA-N	468.070	5.067	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1	223496947	KHICGZJHLQVOOH-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	223726183	KRQKEOOLHYIDDH-UIOOFZCWSA-N	476.646	5.032	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OCC	408537403	DPNLLDOZEJRISR-UYRXBGFRSA-N	486.952	5.070	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	408573716	KCHPQCPVTMKPIR-JLPGSUDCSA-N	488.634	5.668	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1	408819930	ZJBYDLBNQVTSBK-PXLXIMEGSA-N	460.917	5.148	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1C	408960297	KVXIFCMTNBWHBJ-UQQQWYQISA-N	474.626	6.389	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1	408972901	WVLHJEQNNDEFPA-ZHZULCJRSA-N	456.851	6.268	10	40	JKCB	
CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)ccc21	409100658	RHYLDBGSUBXDTA-LPYMAVHISA-N	458.564	5.918	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O	409122921	CLJHWAUIQMVXIZ-BUVRLJJBSA-N	497.016	6.009	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	409178911	KCJJZSJHYHTJQX-QVIHXGFCSA-N	496.523	7.226	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)CC	409205052	NRCYZKVNOXHHPR-PVGUKEHMSA-N	492.460	6.431	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1	409338843	PHSVSILGHGFPQN-UDWIEESQSA-N	468.581	6.291	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	3769433	BMVHIVQSOUEADK-YBFXNURJSA-N	493.448	5.328	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9273647	CHRGOZMUFAEYQE-DSITVLBTSA-N	471.915	5.502	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9293359	UYVPNTLDFPQBCS-GGILCJMTSA-N	486.306	5.582	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9307617	QLFPNAWQGVLPOU-GSDHBNRESA-N	467.952	5.671	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Br)cc1	13809873	IXYUWXPGVCWYSY-BOPFTXTBSA-N	471.694	5.869	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1ccccc1	13940489	ACCJFIHVWOQTOU-KOEQRZSOSA-N	453.588	6.825	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	13942267	SAJGBMFURHKLMY-BRDBGPSPSA-N	462.575	5.262	10	40	JKCB	
CC(C)(C)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@@H]32)cc1	14166057	KUKPJOUNDWZZNF-VHSZZVNMSA-N	476.617	6.751	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14406732	SIGZGTYNZGRJRU-HAHDFKILSA-N	490.353	6.119	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16000853	PHWPQTSGZBHLSB-GVAUOCQISA-N	477.541	5.657	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)cc1	25809350	HPBMKIOVCVBNQH-YBFXNURJSA-N	479.932	7.333	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	33674372	GQGWZIFIWUUQOQ-UNOMPAQXSA-N	456.386	6.423	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1	40006369	UPVLJYPVLXVXMP-CVHFWEDTSA-N	490.046	5.698	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1	54201200	POFJXRFLYVAMOH-BPTDDQHESA-N	482.609	6.219	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	59566409	VHCOZCZWGFMYHO-YBEGLDIGSA-N	466.253	5.345	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)o1	98086513	JHOBSPDPCRJKKN-JMIUGGIZSA-N	488.348	6.497	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C	208524059	AOPDYNABAFCXEW-CIAFOILYSA-N	480.033	5.502	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	223839037	AZOXQBARAFZEKF-FTJBHMTQSA-N	454.599	5.757	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224302682	YBPQMPXHBOEFQC-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224334388	HVOIZGGPEIVWRM-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1Cc1ccccc1Cl	408870857	UVXAUOQADAFTRS-ZHZULCJRSA-N	467.377	5.416	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O	408875258	IFDKXPCCJVLRDL-BWAHOGKJSA-N	476.532	5.648	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409059063	QRVIFXUARQIDFR-QRVIBDJDSA-N	478.951	6.072	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O	409329719	HKECHJAOVREIQH-XDHOZWIPSA-N	452.513	5.258	10	40	JKCB	
O=C1/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409329919	IUMSMHXISAFFRX-MKMNVTDBSA-N	471.741	5.122	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OC(=O)c4ccccc4F)c(Cl)c3)C2=O)cc1	1118775	AUHFQPUFLKCNPI-LDADJPATSA-N	478.863	5.513	10	40	JKCB	
CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c(=O)oc2c1	1631604	WTIYUMAXMMULOQ-UHFFFAOYSA-N	497.374	7.154	10	40	JKCB	
COCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	2301886	CUFMVZZPNAFQMT-XSFVSMFZSA-N	467.568	5.198	10	40	JKCB	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)c2ccccc2C(=O)[C@@H]13	4720795	JEWNLRSIOYOUSQ-ACSMPARLSA-N	460.614	6.208	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2nc3ccccc3s2)C1=O)=C\c1ccccc1	9030163	JSFQQJGHYZCSPS-FQHLDWHWSA-N	465.625	5.473	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2cccc(C)c2C)SC1=S	13943891	MHOOAASLFLRFIG-STZFKDTASA-N	462.036	6.026	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc1Br	33155002	QBNYEGNTJJZBOQ-KGENOOAVSA-N	460.371	6.546	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1	58848848	CLZJIIHXOVXZMY-LZCXECNNSA-N	476.554	5.051	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)cc(Br)c1OC(C)C	96193303	OSHDNMKRTYPOPA-YVLHZVERSA-N	478.184	5.805	10	40	JKCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	112295156	FIUPRFUKHMSRJY-JLPGSUDCSA-N	456.546	6.519	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	222960991	PTIZTGDMSMBARF-SVBPBHIXSA-N	454.643	6.415	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223541018	NRFWBVCVCQOAPN-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	223764989	ZWWQQQRIFPIQPY-SXOMAYOGSA-N	498.608	5.404	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224298697	GKTQGTBQRCHVMQ-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224470488	KHUMUYXIFFVCOB-LOSJGSFVSA-N	474.033	6.023	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)n1-c1ccccc1	225539479	KHOIOJUGIXTTGD-SVBPBHIXSA-N	481.625	5.182	10	40	JKCB	
CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21	408736149	IFPUHEBFFAEMIM-UMFSSWHCSA-N	459.973	6.922	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)cc1C	408784535	UGNMEALUXGVLGM-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(Br)cc1	408840630	DSVUORWNVIUPHX-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	408871580	ZTUDBNVNQXVAHJ-OVVQPSECSA-N	474.560	6.022	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1	409073096	OUTHMHXECRFILV-LPYMAVHISA-N	463.921	5.022	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c(Br)c1	409233790	XGAORUOXSJYGCJ-GZTJUZNOSA-N	485.721	5.337	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1	409341256	ALLSLEJKRCYVTM-XKZIYDEJSA-N	469.990	6.772	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)SC1=S	409343765	GINHATMKLUBFOH-WQRHYEAKSA-N	464.406	5.651	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N=C(S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1	1315011	LITRDJKHXBVCPP-PDGQHHTCSA-N	453.926	5.129	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)cc1	2302546	IPTIMESJHZOESC-HKOYGPOVSA-N	488.613	5.021	10	40	JKCB	
COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1OC	3283069	DSIVYMVFJANOLY-WUXMJOGZSA-N	485.483	5.152	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2c3ccccc3C=NN12	8691477	JFBRTGRVLAIKJV-OBDYRVMHSA-N	490.490	5.224	10	40	JKCB	aggregator
CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820203	ABIGXFMTYIKBEY-XLNRJJMWSA-N	487.090	6.150	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3Cl)C2=O)cc1Cl	9066339	NTGPWEZBFVNCGF-GZTJUZNOSA-N	470.312	5.359	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	9295965	ZMOUYHMEBWWRFA-YVLHZVERSA-N	479.377	5.157	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1	9428467	AGLDPNVGPVNATQ-ATVHPVEESA-N	455.297	5.482	10	40	JKCB	
CCOc1cccc(/C=C2\SC(=S)N(c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1OC	9634115	YYYSHEWIVSXZFA-SXGWCWSVSA-N	450.925	5.061	10	40	JKCB	
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C	9949697	KWGXJELDICEGIF-UHFFFAOYSA-N	497.640	5.031	10	40	JKCB	
COc1cc(Br)cc(/C=C2\SC(Nc3cccc(Br)c3)=NC2=O)c1O	13942749	SVJQZCFOOWEEEG-NSIKDUERSA-N	484.169	5.008	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)cc3)C(=O)N=C2S1	26681025	XFFUQGCIMNYDFR-YRXZJGLISA-N	476.602	5.687	10	40	JKCB	
CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	27549638	VHTPWMKHTUMQIQ-UIBINATQSA-N	482.993	5.463	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Br)cc1	33442132	WLLUUVTXHBTDJJ-HZHRSRAPSA-N	491.385	6.233	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccccc1Cl	33599303	QTEFXPVWBHEFCO-KQWNVCNZSA-N	488.971	5.508	10	40	JKCB	
Cc1c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc2n1Cc1ccccc1Cl	59135422	YQCPXJSERGPWJH-HYARGMPZSA-N	487.918	6.297	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cn(Cc4ccccc4)nc3-c3ccccc3)S2)cc1	96663344	SWHBBOTYDRTCKT-JLPGSUDCSA-N	450.567	5.989	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C	208323659	PCZLDEKVMDOYPO-SUVVMJBMSA-N	452.595	6.483	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1	208725645	LSOMFDDNJBOQIC-JLPGSUDCSA-N	491.634	6.926	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	223275317	YENDRQOHUXMGJO-MUUNZHRXSA-N	473.642	5.237	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1	223308216	BUIRQDMIMYGZCK-HDYLNDSGSA-N	460.647	5.203	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223720296	VGNIEZYZLDXJPO-VSGBNLITSA-N	498.652	5.568	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2cccc(Br)c2)c1	408840331	DNGCROWZYLGFEA-FYJGNVAPSA-N	496.202	6.355	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1	408876559	PYYMSSJAJCMGNO-BUVRLJJBSA-N	472.972	5.831	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1C	408939962	SWRPHILRFSAACM-UCQKPKSFSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Cl)cc1	408996549	PYNWRYQZEVUNGG-CIAFOILYSA-N	457.744	6.490	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	409043355	QFSXEEKJFPKRQO-WOJGMQOQSA-N	467.308	5.239	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409056499	RMFRXQSGSQUSDC-RMORIDSASA-N	499.369	6.417	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1	409092219	UAGVOZGQNMSYAB-SWKFRHMKSA-N	480.567	7.253	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1	409097663	NSHWACCMMOZMEN-FYJGNVAPSA-N	464.543	5.492	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccc(Cl)cc3)c12	409145210	PSUIJKRZDMTTCR-SGMQAHBGSA-N	497.085	6.286	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1cc(Cl)cc(Cl)c1	409204840	LKMYXVYRFGJTPX-DHRITJCHSA-N	459.376	7.620	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O	409243380	YDCAVDTVVUDQIH-JAIQZWGSSA-N	460.361	5.085	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)c(C)c1	409337967	AJNTXYJLVCIWLF-NDENLUEZSA-N	459.514	6.988	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S	409338195	FPBRIEKFGOYDHH-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c(C)c1	702272	CHQRDWCIXLODFR-KQWNVCNZSA-N	458.587	5.313	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	2449897	GSCQKADTMXHBEK-CYXNTTPDSA-N	497.541	6.013	10	40	JKCB	
CCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(CC)cc2)C(=O)c2ccccc2C3=O)cc1	8764003	IOTORTXCMVXFRA-UHFFFAOYSA-N	481.595	7.712	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc(Cl)c1O	9833487	XPJUHTPKBAWDDN-YVLHZVERSA-N	487.770	6.586	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O)=C\c1ccccc1	12278501	WKBKKBJAEOBPCV-LDFNIPPCSA-N	463.411	5.780	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Oc2c(F)c(F)cc(F)c2F)c(C)n1-c1ccc(OC(F)F)cc1	12525041	KILCIFYSGUSBIH-LBPRGKRZSA-N	457.370	5.902	10	40	JKCB	
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14166049	UIFQIGFSWLCTRZ-DPLHUUCSSA-N	488.506	6.472	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	32109378	HMUORWCKGNISIH-LEXTUMAWSA-N	498.992	5.144	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1C	41108107	ISTVTEVHFUBGES-LXROFQDBSA-N	467.598	5.687	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223383421	QMKZXWMSGNNHIQ-WUFINQPMSA-N	466.654	6.224	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	223858228	USYWKFUPIPPVQO-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224305129	UIZBWXGFJGNDNA-WDYNHAJCSA-N	480.681	6.900	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(Cl)cc1	408575287	NPYUDXABJBOBAY-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(c2ccccc2)=NN1c1ccccc1	408603027	PSTSKNPLQWVQRX-JWGURIENSA-N	469.884	6.343	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408846172	XSCWLZWDJPFFFM-RCCKNPSSSA-N	458.970	6.706	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Br)c(C)n(-c4ccccc4)c3C)C2=O)c1C	408849714	YMHKAACGDBOBRF-DEDYPNTBSA-N	492.373	5.140	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N(c3ccccc3)C2=O)cc1	408852972	XVEXIIYFVZWJDI-ULJHMMPZSA-N	493.475	5.747	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC	408879661	CIBOKQWWCCPFEP-UHFFFAOYSA-N	492.984	5.496	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409165088	SEVFXEQHJRNNJJ-VBHSOAQHSA-N	483.175	6.194	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21	409170606	WOSHXKOPXVWZRP-SWYRRKHMSA-N	451.557	8.133	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	409351140	ZOLPLGZCGLCKPA-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3285976	JZOSTBIEHXLBCZ-UHFFFAOYSA-N	451.828	5.528	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1	8819096	YZPJFMMAYFRPQE-YBEGLDIGSA-N	467.399	5.232	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821330	WOIBXAVIIBTZHX-KYYPIKSYSA-N	476.019	5.764	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9281220	ZSHKFVREAZEMCY-SNYZBAFBSA-N	485.588	6.024	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	9295763	RNGGRJVDIJFQGA-MTJSOVHGSA-N	451.479	5.378	10	40	JKCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1	9348316	JFPHNRQUQCPKSL-UNOMPAQXSA-N	451.276	5.213	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1Cl	9762163	XMGIFXRRTGVXNJ-OEEDQDNFSA-N	476.945	5.607	10	40	JKCB	
Cc1ccc(C(=O)[C@H](NC(=O)c2cccs2)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	27019467	LOFSCLSVWZEAPM-FEIADIGBSA-N	454.555	6.523	10	40	JKCB	
CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	27546651	LADKZHYBOGDUJS-UCQKPKSFSA-N	473.485	5.535	10	40	JKCB	
Cc1cccc(COc2c(Br)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	35104443	BIHVTVZOSDNQIW-NDENLUEZSA-N	497.776	5.451	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3OC=C(C)C3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C(C)C)cc1	41108476	LFAOALVFCPNWKH-PDHGGXQCSA-N	479.920	5.142	10	40	JKCB	
Cc1csc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccco2)n1	44086228	CFAZFPWMFKFDHE-UHFFFAOYSA-N	489.420	5.450	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)cc1	59139113	LHKTUQNBBIWGPD-NLRVBDNBSA-N	490.515	6.041	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1	107639337	FAFHBSXSNANIAJ-ZHZULCJRSA-N	470.959	5.190	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)cc1	113833232	HHYWBVHHZSHSHU-ZVHZXABRSA-N	474.582	6.243	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)c1	208218071	JEUVSSRLTMKPRS-RIWZNOJBSA-N	463.603	5.392	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C1=O)[C@@H](C)CC(C)(C)N2C	208231599	CFAQGDSKNOUDQA-XKYMITNMSA-N	486.399	5.690	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C	208530939	ADCXHUTYONEGCT-OYKKKHCWSA-N	489.641	6.000	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223348869	FFYHQTSRHNQVJN-VSGBNLITSA-N	499.684	6.101	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223789129	SSAZYBKDFAJCQX-IZZNHLLZSA-N	469.614	5.460	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1C	224371035	LEQNKAMFTIBNRL-KYJUHHDHSA-N	494.708	7.406	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	224390851	MGWBRYRUNROOQL-JWQCQUIFSA-N	458.606	6.030	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)nc1	225349461	FWHBRRCEKIDQFA-WUFINQPMSA-N	497.668	6.157	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C1=O	408602494	OUZGSBCSNKXZQO-XNTDXEJSSA-N	459.260	5.367	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3cc(Br)c(OC(C)=O)c(Br)c3)C(=O)O2)cc1	408741419	ISQIAMLECGJKRH-VGOFMYFVSA-N	494.135	5.127	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(Cc3cccc(F)c3)ccc3ccccc23)C1=O	408883671	QRNVRYBWSKUCKN-KOEQRZSOSA-N	464.496	5.545	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc12	408886001	CMLLLOAPTMVERR-LFVJCYFKSA-N	466.468	5.224	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12	408903854	AJZHQDPMPRCKHW-KOEQRZSOSA-N	463.493	6.133	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408915490	WFLVREMZXRCIDR-VXLYETTFSA-N	485.298	5.378	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1	408934294	ACNWNTZEOOTWJF-PCLIKHOPSA-N	480.951	6.514	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)cc1	408985139	VSHDIIPTXKMYDE-XKZIYDEJSA-N	492.373	5.085	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccccc3F)c12	409124120	KETVEYMHILLTNW-XBPUZACXSA-N	480.630	5.771	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc(F)c1	409142768	DFOCUGUUZFGXFS-HSZRJFAPSA-N	482.602	5.170	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	409203857	ZFJDABFZEYAZAM-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)cc1C	409338700	OOSRNLRYAAENHG-RGVLZGJSSA-N	469.971	6.321	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1Br	409345974	MJQZWCRBBSFQRL-GZTJUZNOSA-N	450.379	5.262	10	40	JKCB	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1cc(Cl)ccc1Cl	924759	RWCHLXWLZDNAHJ-UHFFFAOYSA-N	458.370	6.229	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	2398708	VCFWWRVFVGRKJX-VJGNERBWSA-N	489.502	5.735	10	40	JKCB	
CCC(/C=C1/Sc2ccc(OC)cc2N1CC)=C1/SC(=S)N(CCc2ccccc2)C1=O	4091425	DMTAZYDVBCFUBJ-UIHWUKHASA-N	482.696	6.236	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl	8741391	SASCEZBLHNCZMR-XLNZFTOWSA-N	481.335	6.947	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(F)c3)C2=O)cc1	8819846	BOFXBMYJSBYARK-ZHZULCJRSA-N	458.580	5.235	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1	8821450	NJSFONNPWFGFMH-UDWIEESQSA-N	460.407	7.222	10	40	JKCB	
O=C1/C(=C/c2ccccc2F)SC(=S)N1CC(=O)N1c2ccccc2Sc2ccccc21	8871612	YUOFGRFJBLGJPA-BKUYFWCQSA-N	478.595	5.856	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(c3cccnc3)=NN12	9280826	OWTRCYVHKBVBQE-JVWYAVPJSA-N	468.325	5.316	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	13550033	NNYVMYGVMWSWGL-JJIBRWJFSA-N	497.526	5.224	10	40	JKCB	
COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1	33678495	VLWYVTBNVUJTJI-FQEVSTJZSA-N	472.382	6.828	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	33921425	DUXYOSBLTBOEQB-QGOAFFKASA-N	474.475	6.790	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1c1ccc(F)cc1	59135430	CGEIJNAJBGRHJB-XNTDXEJSSA-N	489.684	6.008	10	40	JKCB	
Cc1ccccc1/N=N\c1ccc(/N=N\c2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1	104367091	MKDRTMKLHORKSV-FNBANUKLSA-N	460.515	7.240	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222925958	LXMSSOJMXWTNBS-DNQXCXABSA-N	479.606	5.034	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223757093	VBYVRUSZZBYILD-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	223848987	ZKDJHGDOBNGHME-CSYCHJTNSA-N	471.601	5.473	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C	224268244	KNLIPOOQOMKWHG-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224875133	JEKJEYVBAITMSS-RPBOFIJWSA-N	490.032	5.729	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21	260914786	HDZAMWLOJPXLJU-RPBOFIJWSA-N	481.109	6.672	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	408540879	WSRCWPZPJVVSQO-WOJGMQOQSA-N	491.371	5.628	10	40	JKCB	
Cc1ccccc1Oc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	408552836	WAITTWJHNWDGKM-AQTBWJFISA-N	481.936	5.324	10	40	JKCB	
Clc1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1Cl	408737431	QHWXYTNZKJKXGQ-MJUOLDBMSA-N	450.453	8.288	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Br)cc1	408763654	GHBCZXBTLHUSRN-KOEQRZSOSA-N	483.365	6.445	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1Cl	408799668	HJWKDTAIGBISJF-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)c(C)c1	408801206	SHCSTWDBUFQYHL-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)C1=O	408884399	XPUMQBNJQZSPFX-HAHDFKILSA-N	484.552	5.120	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408900964	ARQIMVVEABIIOD-RGVLZGJSSA-N	482.323	6.287	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409014047	OQICWTJJONNNBS-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	409046169	JFVAKXMSBPTAQB-VGOFMYFVSA-N	453.709	5.102	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)cc1	409199691	QBDPTLGXLNZVPF-DEDYPNTBSA-N	452.557	5.079	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	409238303	WUESKNOXIGLCOG-PCLIKHOPSA-N	494.060	6.830	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O	409243442	YQQVGXYUSNZBRG-XQNSMLJCSA-N	471.557	5.283	10	40	JKCB	
CC(=O)Nc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccccc2)cc1	905536	RBVNPTWEHYFKEG-UHFFFAOYSA-N	470.598	5.596	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	2700606	LSNKMTWKMCQLGI-BHJKQYKASA-N	496.009	5.946	10	40	JKCB	
CCOc1ccccc1CNc1sc2c(c1C(=O)Nc1cc(OC)ccc1OC)CCC2	3065934	NFESBSNLBRJBBX-UHFFFAOYSA-N	452.576	5.517	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	8712121	NCCVEVZNUWDIIY-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
CCCCN(CCCC)C[C@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21	8756857	MJICQGMQLJIKBI-SSGMYWTASA-N	486.660	5.711	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	8821279	OHOHIKUUJNYLNU-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)cc1	8821728	SUOZIESRUKUEDW-ITYLOYPMSA-N	456.611	6.999	10	40	JKCB	
CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9234943	VJBWWJKKPGJPNF-CCDWMCETSA-N	483.951	5.337	10	40	JKCB	
Cc1c(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc2n1Cc1ccccc1Cl	9730577	UVAQTMUVIREAID-HBDRGQTGSA-N	476.005	5.927	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c(C)c1	20896667	AFCRHZPAAUWFCS-ZQHSETAFSA-N	454.486	6.397	10	40	JKCB	
CN(C)c1ccc(CN(C(=O)c2cc(-c3ccc(Br)cc3)on2)c2ccccn2)cc1	28292513	OMYOBIBUHZJYNJ-UHFFFAOYSA-N	477.362	5.412	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1	58846005	PHAXBRMDBCTVTN-DFIYOIEZSA-N	461.543	5.531	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21	58847411	YYFPIPKUGSWMBN-DFIYOIEZSA-N	466.990	5.976	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1Cl	58848201	MRLVKNPXOCEYQP-BPYKYCOYSA-N	468.981	6.415	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223095840	ROAKGMHJFHFVGF-KAYWLYCHSA-N	458.675	6.357	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c(OC)c1	224804418	NFRXYXWYJFGWMX-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)c(C(=O)O)c2)cc1	408779600	ZHFRYMVQFIIOAC-LDADJPATSA-N	460.873	5.726	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)SC(=S)N1c1ccccc1	408903187	VIPATGKSXWFHAP-KGENOOAVSA-N	482.424	6.434	10	40	JKCB	
CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c1C	408947900	DMUUQLBJVOPNCZ-DHRITJCHSA-N	471.601	5.259	10	40	JKCB	
CC[C@@H](C)n1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21	409031327	ABTASYNKGKOZMB-HMHNVIDESA-N	475.461	6.731	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c(C)c1	409138423	BNNSXXICKNLSEO-LDADJPATSA-N	481.371	5.157	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(O)cc1	409233635	LLMUGTYYEHLLBB-CIAFOILYSA-N	481.961	5.128	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1O[C@H](C)CC	409378342	OGIULHGJGGZVRM-IYSPOMMRSA-N	487.021	5.310	10	40	JKCB	
C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)C1	3635803	ULLFVNIGCKPCRQ-BEXDPUPVSA-N	468.582	5.988	10	40	JKCB	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)c(C)c1	3656750	BNQNPZGSCGMZSZ-UHFFFAOYSA-N	456.614	5.879	10	40	JKCB	
Cc1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)cc1N	4523165	GEDXLLFPTRUMEY-JWTBXLROSA-N	466.501	7.061	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1C	9234297	GWDZVJMRKKFAJT-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1	9282656	UDTLEAPXIDYVNP-LMEPTBFJSA-N	479.606	5.311	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc(F)c1	9310283	NPJMBLSQHHNYFQ-VCHYOVAHSA-N	450.343	6.798	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	14010089	UCODKZVAIIVVNB-JAIQZWGSSA-N	485.367	5.867	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1	20288396	PYIMJRMMWAVHIL-JWGURIENSA-N	467.447	5.731	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	27018188	KWIAQGHIIHYRJL-NDENLUEZSA-N	454.020	6.050	10	40	JKCB	
Cc1c(N2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C	32593976	YJHRWEDFUAROMN-KGENOOAVSA-N	491.569	5.289	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl	33423924	KHFSAHADHMBTTO-MOSHPQCFSA-N	492.915	5.530	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)cc1C	58846573	IWHGNNKIWLKINH-UZINWLIJSA-N	498.570	6.950	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	58849384	JRTBVDZWGVFADU-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2	102719690	FGXRBQFPIUKGOG-PPHZAIPVSA-N	479.536	5.905	10	40	JKCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	103917158	JLVSPFYBFUYMKN-KQWNVCNZSA-N	456.596	6.556	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O	108212932	VLPYNMCWBUUXKD-NDENLUEZSA-N	475.383	5.733	10	40	JKCB	
Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)c(Cl)c1	209378190	KZKZEYGZQYHKLV-IUXPMGMMSA-N	451.275	6.912	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223060126	XWAZLBKCXANRMP-ZEQRLZLVSA-N	469.054	5.460	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223855861	YINNNJKZHDIDIK-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)c1	224232768	TYZRUJKXTZRICQ-IHLOFXLRSA-N	488.660	7.128	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	224390925	KJZAAYZLJLKODH-JWQCQUIFSA-N	493.051	6.683	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224468398	YLSCORPDXCGRLY-BDYUSTAISA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N(C)C)cc1	224605850	NYGBKXWNLFGVDM-RRPNLBNLSA-N	483.641	5.438	10	40	JKCB	
CCCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1	408601858	LSGHSWMLOROGBF-UHFFFAOYSA-N	456.567	5.614	10	40	JKCB	
O=C(O)/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1	408632029	CQTXQVVIGHJPQW-CPNJWEJPSA-N	486.937	5.506	10	40	JKCB	
CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408734992	IJJXZEMESXDBIA-UHFFFAOYSA-N	466.654	7.591	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(Br)c3)C2=O)cc1	408751758	CCKFDTYZWXIFNI-HYARGMPZSA-N	491.341	5.079	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C	408929594	LHTOQLHTEBIPCD-LPYMAVHISA-N	478.390	5.566	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(Br)cc1	409083989	LZZDXNWVEBPEEK-FUDBJYBQSA-N	477.449	5.237	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)cc1	409345367	LPALAFFQVHVYAZ-PCLIKHOPSA-N	470.619	6.412	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c34)c2C)cc1	710287	UDIMHYVEABGNOH-UHFFFAOYSA-N	465.600	5.477	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1	1199463	KNWJRGTUTVAADY-GZTJUZNOSA-N	451.822	5.323	10	40	JKCB	
CCCCc1ccc(C(=O)Nc2ccc(Nc3cccc(C)c3)c3c2C(=O)c2ccccc2C3=O)cc1	8396766	DTPQIZNIMFYHGV-UHFFFAOYSA-N	488.587	7.109	10	40	JKCB	
CC(C)(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1	8916023	WXXHASZWJWKKCN-ULJHMMPZSA-N	461.030	7.216	10	40	JKCB	
Cc1cc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)n1-c1ccc2c(c1)OCO2	13148416	IKLKSGJVAULUMW-UHFFFAOYSA-N	471.484	5.455	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1	13774322	WCJFWXXAFQOEEF-RGEXLXHISA-N	489.460	5.632	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1C	15227589	LKAABCFUZVDLQU-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3o2)cc1	16678618	MTFKLHJAECMKTH-LICLKQGHSA-N	470.598	5.867	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1[N+](=O)[O-]	16695220	NBAZWXKUDBOEKY-IOVUBPJKSA-N	494.550	5.060	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@@]31C	35188577	LIBRFSNEVHBFKI-XJYIGNBTSA-N	494.701	6.262	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	41076283	TTZQERXZXZQUSC-HEXYFPNHSA-N	458.343	5.147	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2[C@H]2C=CC[C@H]21	58848218	QDRRFPSAZBMHCK-UNVFRBQDSA-N	481.017	6.284	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484882	OBHACDQFSRUTAX-JJIBRWJFSA-N	477.476	5.640	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484897	VWTQFUFSAIUHDH-XIEYBQDHSA-N	462.505	5.740	10	40	JKCB	
Oc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1	89851088	VHRDCERNNQUKQF-QHCPKHFHSA-N	482.996	7.073	10	40	JKCB	
C/C(Nc1ccc(Cl)c(Cl)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920982	QSLNGZHSCKKKIU-STZFKDTASA-N	479.392	6.740	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	107892762	ANXNGUFDAOMSOT-ONUIUJJFSA-N	481.527	5.274	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)c1	205660493	QVXITCXLOGULGJ-DNTJNYDQSA-N	483.885	5.263	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223761156	ORZJTUJYHMVMCV-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224307915	WIHKDFQYVJFALB-MFMCTBQISA-N	494.708	7.154	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(Cl)ccc1O	224427056	ZJQFZDMGVGBOBN-RPBOFIJWSA-N	493.007	6.164	10	40	JKCB	
CCCCc1ccc(N/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)OCC)C2=O)cc1	256055404	FTJBGXNKPJKEBC-DGNXNODXSA-N	468.644	5.317	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1F	408878014	YULZIFJHTBBKLC-LDADJPATSA-N	469.299	5.390	10	40	JKCB	
Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3ccc(C)cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1	409057471	QNPVEPCQCYSSIS-LJQANCHMSA-N	496.698	6.569	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccc(Cl)cc3)c12	409122808	BVXLRPVLVICOTQ-IWIPYMOSSA-N	489.065	7.311	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)c2C)cc(C)c1Br	409129807	MIUFCMUWCFYUJB-HMAPJEAMSA-N	494.458	6.078	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1	409143685	DIDOIGLYFWVKRM-STZFKDTASA-N	493.382	5.428	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)ccc1Cl	409177372	FXTIIVQKIGWHRM-GIJQJNRQSA-N	494.352	6.497	10	40	JKCB	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	409185996	URALWMSWHBKRCD-DPLHUUCSSA-N	466.364	7.097	10	40	JKCB	
O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12	409194911	FOOPHBDZPBMZEY-RGVLZGJSSA-N	463.762	6.598	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1	409221973	AGWQWVFONNTMMO-RVDMUPIBSA-N	487.762	5.194	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC	409339455	IIEVTADKLGAXQZ-ZDLGFXPLSA-N	498.851	6.306	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F	409354710	AIXXXTVZYPQMDU-MHWRWJLKSA-N	452.460	5.001	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)cc1	409376057	SXUOVDFJSLHYFQ-CPNJWEJPSA-N	481.371	5.103	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1	2438292	MZYXLSOYCLTUFK-MTJSOVHGSA-N	483.515	5.253	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	6600612	ZLKUDALDGRBLQX-UHFFFAOYSA-N	477.340	5.725	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc23)C1	11865063	DPBHGVWXZWDYKQ-CQSZACIVSA-N	496.357	5.266	10	40	JKCB	biogenic
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1	13810249	SHCAEYXLJLUHPF-UYRXBGFRSA-N	464.861	5.283	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O	27229133	MHFCDVCZHDFXPX-LZYBPNLTSA-N	459.898	5.869	10	40	JKCB	
Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Cl)ccc1Cl	33457409	RDMQVGYYWZYKOK-LTQDZZRLSA-N	475.357	5.009	10	40	JKCB	
Cc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])c1O	38611054	WXHYPQWKGYEJKW-BYYHNAKLSA-N	460.877	7.083	10	40	JKCB	
CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	58845638	CNFJOQXFQBGRIY-CLCZQPDDSA-N	460.599	6.101	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2[C@H]2C=CC[C@H]21	58846347	IJXWBORYDQIAHT-ISCCLHIJSA-N	460.599	5.939	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222962973	UYVVPNADPLKGBM-PKTZIBPZSA-N	472.580	6.281	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224238645	DIGJSLAARYABNZ-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1	224433331	VVVSTSGLLDVSMU-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21	260921352	PKCUMSYPCNBQKT-FTJBHMTQSA-N	484.625	5.619	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)c1	408869812	RPJDSXLBCXSYNZ-RCCKNPSSSA-N	475.342	5.015	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408881244	IMZYIOSJPGPECT-PCLIKHOPSA-N	482.580	5.576	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1	408902112	KGIDAGLYWRPOJQ-PXLXIMEGSA-N	460.580	5.418	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	408983384	LTWYOOFQKHQRHT-MLPAPPSSSA-N	453.709	5.020	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)Nc1ccccc1	409352599	XANNUZFGVMBMBW-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1	1207286	KOTGBDYCXPNOBQ-BOPFTXTBSA-N	498.314	5.289	10	40	JKCB	
COc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccccc2)C(=O)c2ccccc2C3=O)cc1	2227584	OJYVAAZYRGLXCK-UHFFFAOYSA-N	455.513	6.595	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2nc3ccccc3s2)c(C)n1-c1ccc(OC(F)F)cc1	3288405	SINVZXPUGVFNCF-VAWYXSNFSA-N	482.508	5.745	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)cccc21	8431408	ITDPMLAOHLCNIB-UHFFFAOYSA-N	494.959	6.644	10	40	JKCB	
CC(=O)C(/N=N/c1ccccc1)(Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(C)=O	8448176	RCSDCJHCULNVRL-PBBVDAKRSA-N	455.543	5.685	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12	8495632	POYLUJQDACYYDX-MGTNDIQKSA-N	464.572	5.167	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(OC)c1	8821240	CENWDODBNXVWER-HKWRFOASSA-N	465.637	5.501	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	8854415	WLZOSYPMUHDISU-CIAFOILYSA-N	489.515	6.829	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	13602866	KTPDRHHEFZGKKU-KQWNVCNZSA-N	475.591	5.706	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1	13714641	UIWXRODBYXJJDO-STZFKDTASA-N	465.669	6.261	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N=C2O)cc1OC	33414372	CTSDWYUWGCNPSK-JYRVWZFOSA-N	468.815	5.273	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	35039453	UQZHEIFMPHOIRX-NLRVBDNBSA-N	473.663	7.322	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(-c2ccccc2)cc1	59134976	RWIOEOKLFSAPRI-ONUIUJJFSA-N	479.511	6.407	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1c(Br)cc(Cl)cc1Br	103636842	QDUCXBKVUGVUNR-LCYFTJDESA-N	469.564	5.584	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	208223265	VFURJVKBIJOGRO-OFNOZLENSA-N	451.548	5.553	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223350335	VITRUQCWTAASGZ-FTJBHMTQSA-N	456.615	5.872	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223388838	JKAPDOUNMFNNJP-VSGBNLITSA-N	466.654	6.279	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1F	224902128	XEGZUHQANYYAPZ-IZLXSDGUSA-N	484.644	6.731	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4ccccc4c3)C2=O)cc1OC	408752193	BZOYAWUVVACTSF-HZHRSRAPSA-N	467.952	6.982	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4CC)C3=O)c2C)cc1	408765622	MRVMRQZMIWEHLG-XQNSMLJCSA-N	457.599	5.050	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	408779216	SHESWDHERKOWEA-OEAKJJBVSA-N	461.949	5.537	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	408871242	XJHMCIOSLHSHBP-WPWMEQJKSA-N	494.978	6.367	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C1=O	408884419	UJGTWCXLYNANSV-STZFKDTASA-N	495.362	5.801	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1C	408890305	RDFXGPQBEGFGJE-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(CCC3=CCCCC3)C(C)=C2C(=O)OC)cc1OCC	409058337	MNGDHRUXRSLAEJ-XLNRJJMWSA-N	453.579	5.437	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409061493	YACRQKDDDZOGEX-XHPQRKPJSA-N	457.570	5.829	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1Cl	409343165	GGKBEWCYUBMMQX-NVMNQCDNSA-N	498.851	6.304	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccccc1	409344338	IVLWUIIKHQANDS-PXLXIMEGSA-N	488.074	6.852	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2cc(C)cc(C)c2)SC1=S	2878457	JQZHDUWGJVBLRP-QNGOZBTKSA-N	457.617	5.381	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1	8450619	GTNJVUOEZLQXRT-PAMLCIOASA-N	487.585	5.148	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC12CC3CC(CC(C3)C1)C2	8857622	QKJAANVCPNOOBV-UDWIEESQSA-N	474.717	5.595	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	9193197	CYIUMJYZAFBYRU-QGUUBAPPSA-N	451.983	5.048	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccc(Cl)cc5Cl)o4)S3)CC2)cc1	9282676	YNGQFJVRGRWZLY-HZHRSRAPSA-N	498.435	6.354	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccccc1F	14132850	LOCYEFAWMKBCJG-WOJGMQOQSA-N	494.906	5.042	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCN(c3ccccc3)CC2)cc1	16914471	LMILAQBIZJXKET-AREMUKBSSA-N	496.577	5.065	10	40	JKCB	
CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1	20032340	ZOFLDVAPLPPDJE-LCQIMXFNSA-N	453.951	5.137	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F	40006254	GFNLTSUJUJGMCQ-UCQKPKSFSA-N	465.571	5.815	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	41077897	DXERARQZLCOLQL-ICALIKLASA-N	481.606	5.976	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	223726408	PHDBDBHPEKBJLT-FTJBHMTQSA-N	476.646	5.032	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224301130	XRUADOBKDVPIQZ-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CSc4ccc(C)cc4)c3)CC2)cc1	224341203	LPGRXMHATODRRE-UHFFFAOYSA-N	462.615	5.267	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	224569401	MBGUFCGNIBWXJU-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c1	260572443	VMQSPOIGHVYVBF-OLIBUNOHSA-N	498.048	6.045	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4C)c3)SC2=S)cc1	408575342	KBDNNZUVIOTGLZ-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(Br)c2)C=C1c1ccccc1	408737244	AYEPVDGHZUGTOC-XMHGGMMESA-N	490.353	5.716	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)c1C	408764743	SNYTYYMFHLRULK-CIAFOILYSA-N	463.990	5.196	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1C	408794672	AQISKGIEGWLSNZ-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)c1	408870899	XWHIOMZVUDAPKB-RCCKNPSSSA-N	489.369	5.323	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	408881079	MBDZRHYXVNTERF-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1	408935976	JGGJIFFTUZXSRQ-XKZIYDEJSA-N	495.362	5.801	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ncccc2c1	408967210	QUUSBNQEWNPJAB-LPYMAVHISA-N	486.984	5.127	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)SC1=S	409124231	APNKWYIPYGWHSE-NDENLUEZSA-N	471.445	6.231	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1C	409136248	SBGMSJVREINRCA-UDWIEESQSA-N	494.016	5.204	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)c2C)cc1	409214799	UPALNWQKNVJHSS-PCLIKHOPSA-N	470.619	6.662	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1	409216735	KYQYEFOPNNOEDC-YBEGLDIGSA-N	465.350	5.162	10	40	JKCB	
O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1	409329768	IEBRISXOQODEAB-PDGQHHTCSA-N	486.372	5.554	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1	409334087	TUYUXGYVSPYMHH-STZFKDTASA-N	491.550	5.018	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)C	409351420	UHKCNUMDFRJUIZ-GRSHGNNSSA-N	468.427	6.585	10	40	JKCB	
CCN1C(=O)/C(=C/c2c3oc(-c4ccccc4)cc(-c4ccccc4)c-3c3ccccc23)SC1=S	3262871	XXDHPNGVOUKNNT-ITYLOYPMSA-N	491.637	8.093	10	40	JKCB	
COc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	8819745	TYSMBKSEHQRIEW-PGMHBOJBSA-N	454.617	5.404	10	40	JKCB	
O=C(Nc1nccs1)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	8828427	GVSYYOPGAALASI-MHWRWJLKSA-N	491.541	5.820	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	9274003	MJDZIMMNWHUMOJ-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1	9282630	VNDRKTXYLQGOEN-URORMMCBSA-N	470.057	5.493	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1Cl	9293274	GTWLRGLENVCQRR-SSOZYACPSA-N	479.949	5.017	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9309084	RJDRRLWMJNDVLV-SDHOMARFSA-N	498.922	5.271	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1	9427978	FZVPGTMFNSBRMC-RIRGPFDCSA-N	491.591	6.178	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)COc4cccc(F)c4)n3)c2C)cc1	13116071	RZQXHXQQEVHZSF-UHFFFAOYSA-N	479.533	5.161	10	40	JKCB	
Cc1cc(C)cc(OCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	13689549	MREKUPYVDVYYRL-IWIPYMOSSA-N	483.524	5.432	10	40	JKCB	
Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S	15906217	UULCEAAKIDLYKJ-QGOAFFKASA-N	462.543	5.217	10	40	JKCB	
Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C	16807709	XDHREGYDYYNESH-UHFFFAOYSA-N	465.531	5.279	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N2CCc3ccccc3C2)cc1	16914461	DRFWFKURKCYSFS-RUZDIDTESA-N	478.434	5.045	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	34258463	HZONMPUPGKLWOG-XVCGDLFISA-N	467.598	5.573	10	40	JKCB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2[C@H]2C=CC[C@H]21	58850101	OJKSHPBEPULSSV-TYPXCFOJSA-N	497.576	6.375	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1Cl	59136212	ZFIFIJLHPYYQEA-MHWRWJLKSA-N	488.371	6.212	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223795829	YOHLIGBPUHPNTE-WUFINQPMSA-N	482.653	6.373	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224239092	XPWSMJRFVFFNDX-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1F	224898653	KMCSOFTYFLCBCV-IZZNHLLZSA-N	474.580	6.253	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408743400	SSNFWDKVNFRHFQ-WOJGMQOQSA-N	457.740	7.207	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1	408803791	AMOLNHZTFDEIHT-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)C1=O	408813857	RHTCQUNTLNGDCO-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	408866443	GSPZFBFPVDFLIB-MYYYXRDXSA-N	499.567	6.061	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C(C(=O)OC)=C2C)cc1	408895955	WOCOQQGOISYGJJ-ITYLOYPMSA-N	469.537	5.542	10	40	JKCB	
CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1	2271658	TVTZNDXIMDIPKX-NVQSTNCTSA-N	465.557	5.731	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6144596	KVINNEUXOBBPAZ-YYULODDRSA-N	494.374	6.826	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccccc4)c(Cl)c3)C(=O)N=C2S1	8492158	DPSNNIXRILBIRK-MZLPUNMDSA-N	489.384	5.480	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	8821540	CAHZLOQVNUPQBP-HYARGMPZSA-N	480.567	5.616	10	40	JKCB	
Cc1cc(O)c(Sc2nc3ccccc3s2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1	8871866	PENKOYQOHORBEH-UHFFFAOYSA-N	484.668	6.560	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)c1ccccc1	9730602	FQRWPKSZAKBKPP-QAIWHXNASA-N	476.916	5.155	10	40	JKCB	
Cc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1S(=O)(=O)N1CCCCCC1	12546915	QSVQFTDKPRNVQO-UHFFFAOYSA-N	465.619	5.220	10	40	JKCB	
COc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1	33330538	MEMULSMUBONBHH-HMAPJEAMSA-N	487.943	5.418	10	40	JKCB	
COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CC(C)C)C3=O)oc12	34834797	NTWKICOVUPZKOR-LPYMAVHISA-N	489.622	6.151	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1	35043092	GNVULBMZGZCXCO-HAHDFKILSA-N	461.543	6.588	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCc4ccccc4)c(OCC)c3)C2=O)cc1	59861555	YNNXEPFGMLHWKY-KQWNVCNZSA-N	486.524	5.570	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	102651062	LJIWTCOZEBXBSZ-USNOLKROSA-N	473.635	5.606	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	138219376	LJIWTCOZEBXBSZ-SEONNTABSA-N	473.635	5.606	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223444087	NARZKWJTVLUJFF-RRPNLBNLSA-N	484.625	5.371	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	223796247	OKMONYKDGJWUMV-URLMMPGGSA-N	496.680	6.627	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224432024	XBQKFRFGYQQKCX-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224534183	GYVWDSZDJCGETD-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224536029	GYLVVUPHCIMJLY-SVBPBHIXSA-N	498.608	5.404	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1ccc(Br)cc1Cl	408531928	PEGSEAGCHJQTHC-XFFZJAGNSA-N	494.003	6.781	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1	408578594	ZCNILWUCXUZXGY-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408603572	RTLQIQDIFNDYPP-UHFFFAOYSA-N	486.886	6.323	10	40	JKCB	
Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	408796502	AJTVUPORTZVWBQ-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1C	408802587	ZDTBNOFVPKWBHM-CPNJWEJPSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408888472	VTJCCOPSXHFOIW-PCLIKHOPSA-N	496.494	5.233	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(C)cc1	408984499	RNBULILFCCWVJM-JLPGSUDCSA-N	484.552	5.202	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl	409014847	QIIKFMNQSAFKRD-RGZVIEDOSA-N	493.810	5.111	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409017853	VZLOJFOYPXBXKG-STZFKDTASA-N	481.379	6.278	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409019146	YFNXUJNLOMWSFH-PKAZHMFMSA-N	482.624	6.712	10	40	JKCB	
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O	409108954	YYCFWLYCRVTXFI-OEAKJJBVSA-N	487.581	6.274	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1	409218401	UXNQGFRQPYASBT-WSDLNYQXSA-N	480.973	6.083	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1Cl	409335132	YXMUANBAJCTNEG-ZVHZXABRSA-N	493.028	7.196	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(I)c1O	409339356	HUDRSQPJHHPJMC-YBEGLDIGSA-N	497.379	5.110	10	40	JKCB	
O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1cccc2ccccc12	409343057	CJXZZIZBSXGLEX-WOJGMQOQSA-N	489.359	5.556	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)OC	409349889	RCWSXOGMVUJEAC-NVMNQCDNSA-N	498.409	5.350	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1C	409356014	FALCOCPECRZRKU-YDZHTSKRSA-N	492.597	5.866	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1	2280964	FZLKJHWRAUODBF-HAHDFKILSA-N	487.606	5.932	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(C)c2)SC1=S	2365400	KBVWUJOKDDMXAS-ULJHMMPZSA-N	491.682	6.638	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3ccccc32)S1	2372205	NGXHNAVXFUDYCM-CLCOLTQESA-N	481.664	6.282	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1	2375583	NRMOWAWGYIXDQV-QGOAFFKASA-N	464.534	5.634	10	40	JKCB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)C(=S)N1c1ccccc1	2713819	DWJFVRWSPBJYTR-BKUYFWCQSA-N	482.970	6.869	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)c(CN3CCC[C@@H](C)C3)c(O)c3c(=O)cc(-c4ccccc4)oc23)C1	9043306	XSJQHACBDRANOR-UXHICEINSA-N	476.617	5.335	10	40	JKCB	biogenic
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1	9076360	CNCSISOWMRTGHU-HAHDFKILSA-N	467.500	5.058	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	9161427	AEQQWFLVITXJSX-SREDRKHISA-N	468.026	6.111	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	9161475	RTOYYMZMAIQAAL-GZOYOVAUSA-N	460.390	5.820	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1cccc(C)c1	17056727	GVRWJWJMRFILKL-PSKBPPSXSA-N	495.604	6.277	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	17264971	YUZXXJMKDRTRPC-QLYXXIJNSA-N	486.571	7.078	10	40	JKCB	
CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccccc3)CC2)cc1	20192103	CLOOXMGMZZPBCL-PMERELPUSA-N	499.743	6.965	10	40	JKCB	
CC(C)(C)c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1	27025166	KWWPYZFWWDDGPI-HKWRFOASSA-N	452.645	5.828	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC	28048149	DSGCKALLENRPSL-LDVBQKTRSA-N	471.600	5.291	10	40	JKCB	
N=C1/C(=C/c2cccn2CCOc2ccccc2)C(=O)N=C2SN=C(SCc3ccccc3)N12	31942738	PGYOPVDWQWWUDE-CSQJVAFZSA-N	487.610	5.077	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1cccs1	33399152	RRUVOCJPTQAIJY-NDENLUEZSA-N	485.583	5.911	10	40	JKCB	
COC(=O)c1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484909	NLWPHSBILVYGAJ-XIEYBQDHSA-N	490.515	5.518	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc2[C@H](C)CC1(C)C	208311917	XVDCCJATQRAPSX-VUZLNAKASA-N	454.039	6.843	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1	223210990	AVUDQQBZAOPGLH-UHFFFAOYSA-N	486.037	5.225	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224531459	LJCBLOPRFQAEMT-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
CCn1c(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)O)nnc1-c1ccc(Cl)cc1	408632118	HLOCALSGXFZYJJ-HAHDFKILSA-N	493.032	6.552	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)S2)cc1	408771025	DLKFPTXRYTXVFQ-PNZYDNNZSA-N	452.023	6.218	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)C2=O)c1	408791385	WWYVALJSRGURME-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1	408797928	DAYNAPWUZBCKTK-LFVJCYFKSA-N	454.526	5.111	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1OC	409002423	UOEHTFFDMUBERE-XMHGGMMESA-N	474.969	6.406	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	409156810	OLKDKJHQYANWDA-JCYRPKCISA-N	462.456	7.876	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1	409208462	GAWJZYLQXOZCNE-CIAFOILYSA-N	466.946	5.775	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)c1	409329552	FUPGHQCKBYKRDK-LPYMAVHISA-N	484.067	7.047	10	40	JKCB	
COc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	2294832	YXFHYTZNNMWVOC-UHFFFAOYSA-N	469.540	6.904	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3cc(Cl)c(O)c(Cl)c3)c2C1	2512753	PYJRHBGFVGGUFQ-UHFFFAOYSA-N	479.201	7.074	10	40	JKCB	
C[C@H](Sc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O)C(=O)O	8870800	ZITWNKUNXRCDPW-AWEZNQCLSA-N	453.541	5.065	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1	8914205	OVYGPYPPALXMTK-HAFIMRKLSA-N	461.949	6.210	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(C(C)(C)C)c1O	9188517	WIVOJSRXJFEVFP-UYRXBGFRSA-N	460.064	7.046	10	40	JKCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)S3)CC2)c1	9232894	QNUYYOWEXFFADV-XQNSMLJCSA-N	497.542	6.066	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	13810020	TZWDKTJYBDGTEQ-YVLHZVERSA-N	451.400	5.532	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1	16678600	CJGHADWGUVQDMI-UHFFFAOYSA-N	454.357	6.900	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2C(F)(F)F)N2CCN(c3ccccc3)CC2)cc1	22665232	BDAFMTQPEXJQPP-SANMLTNESA-N	496.577	5.065	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(CSc2ccccc2)=NN1c1ccccc1	27061915	ZAHKDJKPWIPWAK-JJIBRWJFSA-N	470.981	7.179	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N12	33689665	MMOUIPSJYIZHMB-WTPQPOPRSA-N	471.969	6.223	10	40	JKCB	
Nc1ccccc1-c1nnc(SC(/N=N/c2ccc([N+](=O)[O-])cc2)=C(/O)c2ccc(Cl)cc2)o1	35682769	UZRMGYVVQWDOEF-MNKCWKNRSA-N	494.920	6.641	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	41076343	INPPTKDDQWCRSX-ZLPWTTGBSA-N	487.673	6.807	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	58845710	BGXKFXUJHTWPIP-BPYKYCOYSA-N	495.442	6.385	10	40	JKCB	
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58848372	MWZUNMAYSJATIT-GLDPYIMESA-N	488.506	6.472	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1F	59418116	MOWQMKGVCMIIIN-WSDLNYQXSA-N	485.989	6.473	10	40	JKCB	
CCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1ccccc1O	95945288	NYLRLCJJWQGBLO-QFIPXVFZSA-N	471.944	5.642	10	40	JKCB	
O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1cn(-c2ccccc2)nc1-c1ccccc1	96759179	JTPMWHGVSHNRIT-XDJHFCHBSA-N	450.929	5.847	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926890	RIYISQIBNHKAFP-BJKOFHAPSA-N	462.619	5.124	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(=O)O	223099523	VJYWGHHUPDWMNI-DQEYMECFSA-N	474.630	5.493	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314608	SUIWYWGLAHFKEP-OPXMRZJTSA-N	481.065	5.602	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Cl	223496492	JKRXREILVSFECR-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223540366	OPURJCJUJFLNSL-PGECNJAHSA-N	493.629	5.482	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c(C)c1	223541632	XNRJXTAVILNRDF-XCZPVHLTSA-N	481.669	5.982	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)cc1	408578827	ZMUVRYJEUTWHAL-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1	408816391	RRGLLHSNVUVJJE-HZHRSRAPSA-N	490.943	5.293	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccc(F)cc1	408871096	VWBWKFCWGLORNL-JCMHNJIXSA-N	488.515	5.032	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C2=O)cc1	408984813	STMVXGHUJLAZNQ-ZHZULCJRSA-N	492.373	5.085	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)C(=O)NC2=S)cc1C	408990787	MBEZDZOIGVESLE-XSFVSMFZSA-N	485.590	5.427	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1	409039752	DHLRZTOOEDDSEK-CIAFOILYSA-N	471.771	7.032	10	40	JKCB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	409050064	ZUOHGASJJHNNLK-LZYBPNLTSA-N	467.736	5.348	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12	409126490	BITFIOMSRWUGEX-MTJSOVHGSA-N	469.404	6.455	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(CCCc4ccccc4)C3=O)o2)ccc1Cl	409131643	JCULNFOFYUIQBM-STZFKDTASA-N	467.930	5.967	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409229927	ACSMSLVLCNUPDV-XKZIYDEJSA-N	489.959	5.313	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S)c1cccs1	409345821	KAWVOBIVTCPYTI-CXUHLZMHSA-N	491.959	5.116	10	40	JKCB	
CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	409373840	ZMJNVPCUAPGTSR-CXUHLZMHSA-N	468.387	5.330	10	40	JKCB	
O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc(F)c(Cl)c1	409383062	UCYFHNVBUHFYIQ-CQPUUCJISA-N	486.760	6.298	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(OCC)ccc32)S1	2059673	SALRDWNCYAGSSJ-CLCOLTQESA-N	483.680	6.740	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S	2666937	NMUPBMIQCBADJO-QNGOZBTKSA-N	478.599	5.839	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc34)SC2=S)cc1C	3768941	AXCDYTJUCUSUDG-PKAZHMFMSA-N	481.642	7.441	10	40	JKCB	
Cc1cccc(OCCn2cc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)c1	6442683	VBGHVAKODOYGCI-YZSQISJMSA-N	484.646	6.430	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	8450617	PDWBUVYZZWZJME-QGNOBFDASA-N	471.586	5.448	10	40	JKCB	
COC(=O)c1nc(/N=N/c2nc(C(=O)OC)c(-c3ccccc3)s2)sc1-c1ccccc1	9304122	BWLHEMPQXCPXGZ-OCEACIFDSA-N	464.528	5.922	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1cccc(Cl)c1	9310252	SMIBCRAQJXNTGA-CIAFOILYSA-N	472.418	6.978	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(CC)C3=O)c2)cc1	12349794	ATNVMGQMFSILJN-CNGOPUHISA-N	455.645	6.269	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1Cl	13810975	JTVFRGWYNWCSGC-ZDSURBCBSA-N	489.000	6.060	10	40	JKCB	
Cc1cccc(OCCn2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1	33157364	HFRMXYWCLGDTAS-YRKOIEFQSA-N	454.555	5.180	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	41108224	SRGXHTMSVBESJY-IUCHBDIMSA-N	493.567	6.054	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1F	59138831	UMENLVJPAYUATN-XDHOZWIPSA-N	496.336	5.004	10	40	JKCB	
COc1ccc(N(C(C)=O)c2nc(/C=C3/SC(Nc4cc(C)ccc4C)=NC3=O)cs2)cc1	96403053	JRBLURSLZLLLSG-CIAFOILYSA-N	478.599	5.536	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Br)cc1	102986165	YKJMQPTYJSHAOV-GMQQQROESA-N	490.397	5.642	10	40	JKCB	
COc1ccc(/N=N/c2cc(OC)c(/N=N\c3c(O)nc4ccccc4c3O)cc2OC)cc1	104381591	RZIWRBCYBFOBKP-TZZNUMCQSA-N	459.462	6.503	10	40	JKCB	
Cc1cc(C(F)(F)F)nc2sc(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)c(N)c12	215744674	JBQNQZLJHKOQDD-UHFFFAOYSA-N	478.496	5.059	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222875529	IFZSYVXOMKZAII-FCHUYYIVSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc2ccccc12	223222507	KKJGIZKWTVMVDL-IZLXSDGUSA-N	483.685	5.567	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019481	LQQSQYVBZMKJST-LOSJGSFVSA-N	465.066	6.366	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1F	408867197	KAYHDZLZUSFJTP-UDWIEESQSA-N	469.299	5.390	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1	408893173	FXHWZMKDRVHXFA-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408937756	JTDUGKIDGBBORF-LPYMAVHISA-N	465.336	6.014	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(Cl)c1	408943975	SXXHDUGSQBMYOG-CIAFOILYSA-N	495.362	6.023	10	40	JKCB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c2ccccc2)cc1	409003064	RDEMQWMVSJALQD-JDUVBCOTSA-N	498.608	6.459	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)c1	409109032	ZUJJLIYRJLUTCO-MFKUBSTISA-N	470.573	5.057	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409202013	QCQIMIIBNHBDEG-JAIQZWGSSA-N	453.907	5.897	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)NC2=S)c1	409220540	BFZDCKCFJYYSSU-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1	409221995	APBPGPOXOIUNNO-BKUYFWCQSA-N	475.526	5.118	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cc(Cl)cc(Cl)c1	2262599	XCTKLGDLAVMZNP-FRKPEAEDSA-N	471.818	5.877	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	2332964	AEGNYQSJLKYAIW-PLLOTBJKSA-N	451.621	5.547	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	8744473	ASIGJLIWVBVUQX-XXAUWVGASA-N	498.535	6.207	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1	8819773	ZAUNCUNKRGWAGA-HKWRFOASSA-N	468.600	5.094	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	8821285	CZOVADLYUDMAHW-XKZIYDEJSA-N	496.009	6.331	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1	9188616	YDMLATBNOPTSCT-QRVIBDJDSA-N	466.027	6.942	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9192198	ZACWWZGCIOFBBO-QRPNVLAJSA-N	476.565	5.310	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1	13810887	XULBLZDQRYVXBX-WOZVDNMVSA-N	456.571	5.504	10	40	JKCB	
Cc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)cccc1[N+](=O)[O-]	25389395	GUSDHNSGBRQTTA-UHFFFAOYSA-N	471.307	5.113	10	40	JKCB	
CCNc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1[N+](=O)[O-]	25396250	BPWJDDBFBVLSDM-UHFFFAOYSA-N	487.459	5.075	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	33886970	ZSHKFVREAZEMCY-PKJHAWMFSA-N	485.588	6.024	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(O)=NC2=S)cc1	59137950	JDDJSHJSOCYORN-CPNJWEJPSA-N	450.541	5.419	10	40	JKCB	
CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(N(CC)CC)cc1	102969884	PXYJSYWQDGRKQY-GDLZYMKVSA-N	473.661	7.516	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(C)c(C)c4)=NC3=O)cc21	208471686	DFBJODDEDQBWTN-JJFYIABZSA-N	452.023	6.671	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223799163	YSZOIGZCDWYRJM-KAYWLYCHSA-N	484.625	5.771	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	223955213	ZVWLOKNZSFCNRW-IZLXSDGUSA-N	495.652	5.194	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224538430	XKEWVRRMPAJOIV-LOSJGSFVSA-N	469.614	5.378	10	40	JKCB	
CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1Br	408740986	GDKOHAAFOOKRBS-AWNIVKPZSA-N	498.554	5.772	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1ccc(Br)cc1	408753536	AODAQZVJPCVRSG-YBFXNURJSA-N	465.278	5.151	10	40	JKCB	
O=C1C(=Cc2ccccc2OCc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408869250	RRUCBJBPALTQBR-UHFFFAOYSA-N	492.506	5.988	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C	408961422	STSYCHRDUSAIDI-BUVRLJJBSA-N	471.626	5.413	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1	409020484	PUOKTWXMQSLPJT-BOPFTXTBSA-N	471.365	5.702	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])cc1C	409181028	YSGWVYGKHBHFHK-JMIUGGIZSA-N	488.949	6.670	10	40	JKCB	
COc1ccc(N(C)C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	409336878	XBAKVMKGHGWNHP-UHFFFAOYSA-N	474.589	6.931	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1Oc1nc(Cl)ncc1F	409343659	FODIFVJHOHTWMM-WOJGMQOQSA-N	487.965	5.866	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl	409347377	PQYGQRWAAHBTBR-VCHYOVAHSA-N	476.362	6.357	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccccc1	409348474	SWDUVVVQKPVOOI-LFVJCYFKSA-N	476.623	5.746	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	409348597	NRCLQVNIRRZZIY-HZHRSRAPSA-N	490.606	5.114	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1	409350857	ZIJZYVXENBGUCW-YBFXNURJSA-N	466.496	5.267	10	40	JKCB	
CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc12	1770942	CXIXQCKMKQOVBO-UHFFFAOYSA-N	483.486	6.819	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O	2169139	FKULEDPMNQQNBY-JAIQZWGSSA-N	496.928	5.282	10	40	JKCB	
COc1ccc(Nc2cc(N3CCCC(C)(C)C3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2374202	LJZIHOZVVABEAG-UHFFFAOYSA-N	453.542	6.418	10	40	JKCB	
Nc1nn2c(-c3ccccc3)c(S(=O)(=O)c3ccccc3)cnc2c1/N=N/c1ccccc1Cl	8448170	GTODQBLRAWRFTE-ZQHSETAFSA-N	488.960	5.880	10	40	JKCB	
CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	8820134	WEPOTIONOAMJKP-PGMHBOJBSA-N	489.062	6.139	10	40	JKCB	
Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(N(C)C)cc2)cc1	9086549	WNXUGYALXBEDIV-DEOSSOPVSA-N	453.995	5.254	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)cc1	9188743	FKCUQBARASABPZ-HAHDFKILSA-N	474.607	5.429	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9210249	KTQQLZYIINYDFT-XNUZKYAUSA-N	475.618	5.692	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1	13811064	LFKACSYHCDSZFR-ITCQOWKOSA-N	467.598	5.518	10	40	JKCB	
Cn1/c(=C/C=C/c2c3sc(-c4ccccc4)c(O)[n+]3c3ccccc3[n+]2C)c2cccc3cccc1c32	16382730	RPBZJEYZJDSOIJ-UHFFFAOYSA-O	499.639	5.695	10	40	JKCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	20287668	VSLUAUUXEZBHNS-ITYLOYPMSA-N	496.592	5.924	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	22419174	SJRRZKATGMPPFE-RUZDIDTESA-N	479.024	5.336	10	40	JKCB	
Cc1ccc(CNc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	26841235	LHWBBWHQSLXGCJ-JCMHNJIXSA-N	498.633	5.016	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S	27025872	CHLBOYOKDYUTHB-OOWUWCJESA-N	478.661	5.012	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	34388629	PZTMIMSJDDSCDW-JJYAYZJSSA-N	494.064	6.727	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1C	100524896	WYCNUSGAPRJGOO-GEJZQBIKSA-N	488.798	6.409	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2C(C)=CC1(C)C	208510988	FIOSKGXQJRYIPQ-UCQKPKSFSA-N	475.614	5.692	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223411406	QODLJJONVAGJPW-SVBPBHIXSA-N	484.669	5.895	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224021260	RMDSJEDQSUUGAN-LOSJGSFVSA-N	483.597	5.098	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224531966	XGKZBLWCLKDIMW-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccn1	225037503	VEOLNBHNTWQSAI-SVBPBHIXSA-N	482.657	5.359	10	40	JKCB	
CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl	225670724	DFKXWFCNACHSDT-IAGOWNOFSA-N	460.043	5.801	10	40	JKCB	
CN(C)c1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	408735560	SMFXJJXGRJZBEZ-UHFFFAOYSA-N	473.605	6.964	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c1	408775563	IOYBQVGBKXNXHD-PCLIKHOPSA-N	485.653	5.840	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Cl)c1	408872292	CPLVIKLHUWQJJE-OEAKJJBVSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2sc3ccccc3c2Cl)cc1	408995269	LOYPOMUUWSMUDJ-UDWIEESQSA-N	497.834	8.004	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc2ccccc12	409041300	URMAQVOVHUMLNE-OYKKKHCWSA-N	463.624	6.285	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OC	409052472	TWMVORCMJBEXHH-YVLHZVERSA-N	464.406	5.176	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)o1	409154689	POMRLPNGCGCLIL-JAIQZWGSSA-N	498.354	5.952	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br	409338136	DRTTUKWOKDSPIW-GZTJUZNOSA-N	468.825	6.297	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)SC2=S)c1	409342930	CAEJKJWSZQSGQY-UNOMPAQXSA-N	453.566	5.773	10	40	JKCB	
Cc1c(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cccc1[N+](=O)[O-]	1839257	QUFBKNPNSOWRJT-FYJGNVAPSA-N	465.556	5.635	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccccc1O	8774965	ZXAJIIKOCKPCNU-QFIPXVFZSA-N	457.917	5.252	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	8821288	DSNAKQUWCRZMFB-JCMHNJIXSA-N	495.025	5.394	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	12274904	PAAUIOIJQMBKDR-QAEAHILHSA-N	480.405	5.554	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1	12411757	VUKJILLDBZDVEJ-YRSDAMCFSA-N	474.689	6.564	10	40	JKCB	biogenic,in-vitro
O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S	13040932	ZZPRWKXCKYEKCX-RIYZIHGNSA-N	461.870	5.295	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	14009245	ZKNUVYNBLDDDAP-MOSHPQCFSA-N	484.474	5.579	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2cccc(C)c2C)C1=O	16745649	TVBLKTDXGPLCHW-TWNGPSNKSA-N	450.629	5.870	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cccn2-c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	20210201	RUTOYAQXEVAJGL-YBEGLDIGSA-N	471.256	5.199	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1	33714966	IYJWWFUULXLGAO-SDOZFXMSSA-N	487.560	5.299	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(C)c4)cc3)C(=O)N=C2S1	33726589	NJGRZVFNYNAOMB-JRNAOYQWSA-N	476.602	5.508	10	40	JKCB	
COc1cc(/C=C2\SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(Cl)cc3)=NC2=O)ccc1O	36633782	QGDAVXAOLZWGRK-ZJVWCJDDSA-N	489.984	5.876	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2	58850228	YDAFVSXMGIZDPO-SRGWNRLKSA-N	499.405	6.216	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3c(OCc4ccccc4Cl)ccc4ccccc34)S2)cc1	107957218	GODHWSPCCPTEQD-QQXSKIMKSA-N	485.008	7.463	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C	223728816	SUTYHPBSMPQUKG-BDYUSTAISA-N	490.673	5.286	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224336186	ZVOGRBZPPYWACE-KAYWLYCHSA-N	487.072	6.882	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404189	LXCYMJGKTFVEAY-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408754471	NPDUSUYDDGFYMO-HAVVHWLPSA-N	474.000	7.171	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	408759120	YARIQLDLIBHRRF-QGOAFFKASA-N	462.889	5.737	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	408807454	CYMVTHGEMWBLMF-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1cccc(Br)c1	408842870	LJHVQFGGXHZHDZ-YBFXNURJSA-N	477.314	5.021	10	40	JKCB	
COc1cc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc(OC)c1OC	408973800	BUOSAFRPXJLVGL-UHFFFAOYSA-N	489.531	6.368	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O	409096345	KUDVXWGDYZONLL-NPQOUYBPSA-N	479.001	5.810	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)cc1	409194462	LUAPGKVCOOKMCW-LPYMAVHISA-N	485.030	5.883	10	40	JKCB	
O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1c1ccccc1F	409345970	MJPZNBFHMCGILU-JAIQZWGSSA-N	497.485	5.840	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC	409349209	UWBALHLFZHRKMM-GZTJUZNOSA-N	450.379	5.262	10	40	JKCB	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1415658	WXCAKEXGAGNBQP-NLRVBDNBSA-N	486.593	5.147	10	40	JKCB	
CCn1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc21	2391489	RIYXRXBWHKAQLJ-UHFFFAOYSA-N	451.551	5.410	10	40	JKCB	
COc1cc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c(OC)cc1Cl	2452389	IFZIXIKDXHSPTR-UHFFFAOYSA-N	488.809	6.733	10	40	JKCB	
Cc1sc2nc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)n(-c3ccccc3)c(=O)c2c1C	2679490	VBLXCOLSRMOGPB-UHFFFAOYSA-N	499.661	6.447	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)cc1	2701150	GVEUKIUCODCCDP-NKFKGCMQSA-N	464.656	5.736	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)c1C	3311384	IVZYPNQKBMEZKK-UHFFFAOYSA-N	494.931	5.178	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc12	4289748	OKLUCGPABODFKT-INIZCTEOSA-N	467.487	6.712	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc([C@@H](C)CC)cc4)C(=O)N=C3O)c2C)cc1	8743562	GIBICELGYAPRPU-QVTRDURHSA-N	469.585	6.677	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1C	9232980	QQYXAXXZZAJQGY-WSDLNYQXSA-N	490.537	5.245	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9290695	NECSTWIMKPYFTO-FJVWWGQZSA-N	494.064	6.727	10	40	JKCB	
O=C(c1cccs1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9307451	PHWPQTSGZBHLSB-DSNGMDLFSA-N	477.541	5.657	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1	27016909	JXTXCXHRWUDSGR-YMNHORQBSA-N	488.613	5.018	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC	33430368	DGYUGQKPLSJEFU-HEQHKCQXSA-N	471.644	5.888	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1	58850208	VKRAFOIVDJFISO-ANSQWYIGSA-N	483.008	6.723	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1	208720656	MXIJFAXPLQKGFP-JCMHNJIXSA-N	498.025	6.963	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223392067	GPMHGKOIGSXBAW-LMSSTIIKSA-N	480.681	6.533	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438853	YFBFOLAIALXKFB-DNQXCXABSA-N	457.578	5.509	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)cc1	224586852	ZPWDRSLPFWUGNZ-UIOOFZCWSA-N	470.598	5.375	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[C@H](C)CC1(C)C	260573332	YAJTWKSPMUMFLN-SUVVMJBMSA-N	469.050	7.077	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)C1	260735354	GWSPFPKCAMYTRC-LEWJYISDSA-N	464.679	5.597	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	260919573	MHALUGKMDXESJC-RPBOFIJWSA-N	490.076	5.934	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C2=O)cc1OC	408754766	IHFPZECDZSQAGS-XDHOZWIPSA-N	466.364	6.790	10	40	JKCB	
Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5cccc([N+](=O)[O-])c5)c4C)C(=O)O3)ccc2c1	408755673	LIBWYJGTIXATSU-OYKKKHCWSA-N	450.494	6.445	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc34)C2=O)cc1	408809296	RHNVGZWKJNMMOX-YZSQISJMSA-N	492.531	5.402	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2Br)cc1	408840729	FGVTYYKZQXAQNM-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1ccccc1Cl	408873936	XMSAEUYFNFIHGE-FYJGNVAPSA-N	474.944	5.223	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Cl)c1	408879905	HTSRYMONWOXCOK-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
Cc1c(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	408893433	AMXCPQHKTJLHGP-XDHOZWIPSA-N	498.764	5.176	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1	408992998	VMUGLWOJWVODPB-BKUYFWCQSA-N	495.362	5.801	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2sc3ccccc3c2Cl)cc1	408999768	SILYVPGMHKDCFX-RCCKNPSSSA-N	474.969	6.406	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)SC1=S	409006821	LZMGGOOMRIURQA-BKUYFWCQSA-N	484.440	6.402	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409051118	AEMZCIJZOZWCJC-QQXSKIMKSA-N	468.597	6.205	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	409181903	GNEFTNWLXZYPCD-UDWIEESQSA-N	487.961	6.322	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	409194354	AYTJIGJQURBOCF-VCHYOVAHSA-N	459.936	5.464	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(O[C@@H](C)CC)ccc3ccccc23)C1=O	409237032	VAOKXPSIWGIFKO-QFGIDJEJSA-N	458.514	5.082	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)SC2=S)cc1	409341740	BUKPFCUQPMAHNG-HYARGMPZSA-N	498.025	6.342	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)cc1	409342347	BTFUNTBJPCAZRV-UDWIEESQSA-N	485.974	5.980	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccccc1F	409352073	VZKZHYPPWLXOGO-JAIQZWGSSA-N	497.485	5.840	10	40	JKCB	
COc1ccc(OCCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	2882454	IKMLQCJRPCKZEZ-UYRXBGFRSA-N	480.007	5.036	10	40	JKCB	
COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)o1	3764403	KSQIBIGNULHZSX-LICLKQGHSA-N	476.988	5.216	10	40	JKCB	
CCOC(=O)c1c(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)sc(C)c1C	9580847	ZZXUDCGTJAKNPI-UHFFFAOYSA-N	467.930	5.223	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1	13897436	ZEYXCCSWBFPEMV-ZHZULCJRSA-N	492.025	6.537	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2cccc3ccccc23)cc1	20289145	BLQFHFVPSWAVMG-ITYLOYPMSA-N	478.508	5.894	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1	32109431	AKYWUGIDLOFBNV-RHAFXMNRSA-N	486.956	5.342	10	40	JKCB	
Cc1cccc([C@H]2c3ccc(O)c(O)c3O[C@]34NC(=S)N[C@@H](c5cccc(C)c5)[C@H]3CCC[C@H]24)c1	33821798	MOKMXDVHASCMMM-XPJOPHPYSA-N	486.637	5.571	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(F)c5)c4C)C(=O)N=C3S2)c1	33924054	SWLGXQFUCKZVNZ-CJSRDQHASA-N	457.534	5.209	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)c(OC)c1	41108155	FAUIJKWZRLJVAL-WUXVYIAASA-N	499.596	5.087	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2	58846967	JATFUIFYWYHJTN-OBWXTZQISA-N	489.399	6.760	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1	58848841	WQRXXAIUFZOSRG-BXTSTYNKSA-N	490.625	6.110	10	40	JKCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21	58928857	AVXRWOOHEJBPST-UWVAXJGDSA-N	458.377	5.468	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1c1ccc(F)cc1	59106201	HZIPXZFAVHGNGH-XDHOZWIPSA-N	495.304	5.674	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C(=O)NC2=S)cc1	208519747	DPDICRJBTBSDJM-HZHRSRAPSA-N	473.642	5.411	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351813	RIFSVRUHTXZYKE-JWQCQUIFSA-N	477.033	6.217	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21	223494786	HUVBQBXDDUONRO-QRVIBDJDSA-N	493.604	5.911	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1F	224463948	MQYJQXWAPGFBOY-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224532975	YTUXGYAHJJWALI-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	224839656	LDRXUPAXLDFKHG-OSWZSTQVSA-N	487.600	5.173	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C(=O)NC1=S	260569842	SPJOCPBPSHVCGS-CLXYIWAZSA-N	468.022	5.202	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260910093	BZNUQMAFAWQGRN-KAYWLYCHSA-N	497.668	5.849	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)cc21	260910106	CBRAFHZECXAUKT-CLJLJLNGSA-N	472.633	6.338	10	40	JKCB	
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736156	IQWYZWVZGPTAJM-DPLHUUCSSA-N	467.352	7.307	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1	408894479	IFPAPQJTCMYEMO-OEAKJJBVSA-N	460.917	5.202	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1	408897365	JASCAXIMWISQTR-ONUIUJJFSA-N	484.552	5.338	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1c(C)cc(C)cc1C	408972365	SDUCQTVVDBBFDD-HMAPJEAMSA-N	494.513	6.548	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C(=O)N(c2ccccc2)C1=O	409015977	TUKWNLQSODMUHE-UQQQWYQISA-N	485.584	5.045	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccc(Cl)cc3)c12	409145209	PSUIJKRZDMTTCR-DHJMFLCTSA-N	497.085	6.286	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1	409233575	GKYUEQGDDWFRAG-PCLIKHOPSA-N	487.625	5.448	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1	409243913	YXIDHSMENRSULW-CIAFOILYSA-N	463.990	5.196	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc45)c3)SC2=S)c1	409328514	WUXJEJYAVFBSMS-WGOQTCKBSA-N	499.682	7.547	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O[C@H](C)CC	409345329	LIHDENJKGMRVBM-FAPYRAKZSA-N	481.561	6.687	10	40	JKCB	
Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)ccc12	1737627	ICTPEPWRXHZMIG-QGZVFWFLSA-N	468.461	5.248	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1Cc1ccccc1	2059055	PHPIHQWQZVTFFL-QJOMJCCJSA-N	482.377	7.176	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	2281267	CRDRAPHJLVBJNU-UNOMPAQXSA-N	479.454	6.176	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1	9234755	KTBOGSBYLQCVMM-GGHQPTPASA-N	485.997	5.184	10	40	JKCB	
Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C	13025263	HERPUPQMUWJROX-AREMUKBSSA-N	459.590	5.409	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1	13804198	POQCXSQSBHPVQE-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Br)cc1	13881238	JWBBOAHKQRJHEK-ZROIWOOFSA-N	455.196	5.617	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1	13940599	GUNAMBWDTXMDLD-LTQDZZRLSA-N	487.354	5.196	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	33528707	QPKZQZLHSBQWMI-OCLIGMCMSA-N	494.407	6.068	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	33715887	YFAQUBVEBMOEIZ-OZNIXHKMSA-N	496.006	6.486	10	40	JKCB	
CC(C)=CCC/C(C)=C/Cc1c(O)c(O)c2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)C	38910211	BRKFTRQHPIQVNO-LICLKQGHSA-N	464.558	6.513	10	40	JKCB	biogenic,in-vitro
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2	58846107	IPVFHLTXGQKQPZ-QHWMMSMNSA-N	460.599	5.885	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58846959	GQKLMRVRVWUVOS-XLNZFTOWSA-N	454.954	6.106	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	58846971	ILIPAAKENHCKKX-SRGWNRLKSA-N	489.399	6.760	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1C	58850214	BVGVMMOFMVSZLF-UNVFRBQDSA-N	483.008	6.723	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484908	NIJYDRIIXVXVMA-HZHRSRAPSA-N	476.488	5.460	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1F	223383719	DHWLPHOSQNJCHV-UIOOFZCWSA-N	456.590	5.801	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223578426	QQCAMSMDPSEXCB-GKXUUXLPSA-N	482.049	5.592	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223758156	YKWFCQABQNKHQC-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	223762973	MAHORCFWBJGGNB-VSGBNLITSA-N	497.668	5.741	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223879735	SGSGLWJIEKBOPC-IZZNHLLZSA-N	498.608	5.158	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223976020	KTULIGFMWVQCEX-KAYWLYCHSA-N	497.624	5.330	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224253453	MFVWTUMRPZKSNG-SXOMAYOGSA-N	496.636	5.761	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc2ccccc12	224430406	FADKIHDTECBTGL-WDYNHAJCSA-N	492.623	6.959	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224523488	NXZLBNLRRQKCKP-JWQCQUIFSA-N	455.587	5.070	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1F	224897411	OOXWECZQOPPLII-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1C	260572409	VERWCWNODXXKGB-MBTVCVBTSA-N	465.981	5.345	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	260926943	XEDXPUZUWVOZRF-AGILITTLSA-N	467.038	5.294	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C	408758098	VHHNHXBSRBWQKQ-YDZHTSKRSA-N	477.406	5.983	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1	408804554	YIYNCRNFDYOGOU-XQNSMLJCSA-N	482.923	5.739	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2Cc2cccc(F)c2)C1=O	408864950	AFJSWNBWKAKACM-JCMHNJIXSA-N	462.908	5.299	10	40	JKCB	
COc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c1	408865514	CRHVXXDKOYMBRV-UHFFFAOYSA-N	493.382	5.206	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1Cl	408983743	CEWWMNGJFFGGOH-QGOAFFKASA-N	450.321	6.251	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)c1	409001825	KXBINQJBMLWNLH-GZTJUZNOSA-N	483.343	5.168	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409016255	SXNHJAVVLBOHQD-LPYMAVHISA-N	481.980	5.450	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(c2ccccc2)C1=S	409024129	WVTKLTZKRQHASB-HMMYKYKNSA-N	478.658	5.941	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409057286	KDKXMZJSEAVMSM-QFEZKATASA-N	489.015	6.550	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCc1ccccc1	409171923	DQSLVPIPURDDFW-WSDLNYQXSA-N	485.989	6.473	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O	409237866	XOVHSYFKVOVNPA-BUVRLJJBSA-N	464.562	6.259	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1cccc(Cl)c1	409331518	OKHDHBXWAIGCDL-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OC)c(OC)c3)SC2=S)cc1	409339953	NJZHUZGLBPXCAQ-GZTJUZNOSA-N	480.405	5.271	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1[N+](=O)[O-]	409342145	CJBONXXPOGGURP-ODLFYWEKSA-N	490.484	6.588	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc([N+](=O)[O-])c1C	409344762	GYHQGFRUEKNFPW-UFFVCSGVSA-N	480.523	5.606	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c(C)c1	2099580	FKDJHRDQCDVWRP-LDADJPATSA-N	485.055	6.001	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(CCO)cc1	2512771	DDNDKAQJEUAUKD-JOCHJYFZSA-N	486.409	6.354	10	40	JKCB	
CCN(CC)C(=O)CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8435356	AZUOMAGCANKCBZ-LICLKQGHSA-N	469.415	5.323	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	8821533	YKTNIHXNSIFTQD-ZUZCKIMGSA-N	480.951	5.209	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nc(-c2ccccc2)cs1	8857633	WBMBMZZOPCAJIO-PGMHBOJBSA-N	493.679	6.210	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1Cl	9477922	LXEYADJMDUYVLJ-OYKKKHCWSA-N	483.955	5.876	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1	12624969	GHAUJMOBYPMUJD-UHFFFAOYSA-N	463.628	5.961	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1F	16196103	ASAIBZQCPJVFEL-HYARGMPZSA-N	479.554	5.455	10	40	JKCB	
Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1C	19793921	GNDCMJYWQVNRGD-UHFFFAOYSA-N	461.480	6.303	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1	20238598	WNIRXVMETBISSS-YBEGLDIGSA-N	497.847	5.032	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1	26580626	OATXOCLGVIORHD-ZHZULCJRSA-N	492.062	5.935	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	41107946	XWWWTUUQYVKAJE-ZLPWTTGBSA-N	481.625	6.275	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)cc21	208445584	LNBCELWKPBMQDH-XDHOZWIPSA-N	494.389	5.056	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223799600	XQJSRKJXCSLWNL-WUFINQPMSA-N	498.652	6.074	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(F)(F)F	224164277	KSVAQGMJFNTUCG-RPBOFIJWSA-N	492.570	6.685	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224837526	VREXMPXXURUYMQ-IZLXSDGUSA-N	498.652	5.992	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224900554	XBYWDSIQKCDNQH-SXOMAYOGSA-N	486.616	6.122	10	40	JKCB	
C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(N2CCCC2)cc1	225696128	YWGBFMPCJHIDOK-NRFANRHFSA-N	485.697	6.863	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	260924309	UFIWMPLXDUWMGE-DQEYMECFSA-N	458.606	6.030	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccc(C)c(C)c2)c1	408805669	BPMYIICTRXOUPN-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Br)cc3)C2=O)cc1	408842657	PJZWVDRCGZUFLM-CJLVFECKSA-N	477.358	5.691	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12	408913608	MLHBMOFXFXARGF-CVKSISIWSA-N	489.506	5.648	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408966170	KFYNBPZVFBLMKC-IWIPYMOSSA-N	488.563	5.062	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)cc1Cl	408985737	YGCKIKJGCPPZMT-WQRHYEAKSA-N	468.340	5.376	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409037780	NQTXAPJZNWBZAV-YRNVUSSQSA-N	475.211	5.349	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409061278	YYPXVJIDPULJKT-QFEZKATASA-N	489.015	6.550	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)C2=O)cc1	409232990	JJXJMWXZTFTJOQ-FYJGNVAPSA-N	464.363	5.258	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O)Nc1ccccc1	409342233	CVTKEDUWHZFKDW-BKUYFWCQSA-N	480.998	5.763	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1	1305767	RZRYTFDDUNEIHW-NDENLUEZSA-N	498.377	5.238	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc([C@H](C)CC)cc4)C(=O)N=C3O)c2C)cc1	2210261	GIBICELGYAPRPU-WNIQNGNASA-N	469.585	6.677	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)C1	4136337	JRPXNIDXGJKPNC-INIZCTEOSA-N	483.486	6.695	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	6144590	LQJTURQEFGILOO-RNHFSVANSA-N	459.929	6.172	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1	8821018	GUUGVEXKSZUZMR-HYARGMPZSA-N	486.424	7.182	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S	8821315	YPMGNLZQYOWCEB-PLDFPGSMSA-N	455.601	5.419	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007556	DVWSSKABWQUDNR-GVAUOCQISA-N	480.539	5.269	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccccc2Sc2ccccc2)cc1	20289058	FRWUVDLUJRRMQH-HFTWOUSFSA-N	491.616	6.983	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1	28295143	QZHPHTHWTODDHF-IBNIFWCESA-N	455.539	5.222	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(OC)c(Cl)c3)C(=O)N=C2S1	41083044	GUCDGMBJCVSQOR-YXBAXSDQSA-N	455.971	5.339	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	41083717	BRRNHIYYHMCVGY-JYHUHERQSA-N	462.962	5.541	10	40	JKCB	
COC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc(C(=O)Nc2ccccc2C)c1C	44827100	CWZFEFLZPCZPFR-XMHGGMMESA-N	488.569	5.122	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OC(=O)c1ccccc1Br	100088354	LSMVRAPYHRKNJV-HMMYKYKNSA-N	461.315	5.474	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208226858	CDLKMHDRUQNQPB-YSUUHWHMSA-N	481.593	5.531	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1	223097252	GKWXRSLLOBBYGA-LOSJGSFVSA-N	465.066	6.448	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223879688	SGSGLWJIEKBOPC-FTJBHMTQSA-N	498.608	5.158	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224238595	DIGJSLAARYABNZ-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	408645871	MAJJWNNMSQBXGE-UHFFFAOYSA-N	450.844	5.562	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1Cl	408803341	NUDYPFJSUPBUQQ-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	408820005	ZUPPHZVETJWTKL-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br	408871657	IEZDZORWCVENQC-UHFFFAOYSA-N	491.341	5.431	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2cc(C)cc(C)c2)C1=O	408884445	ZGZKWTNWHPROHM-IWIPYMOSSA-N	484.552	5.120	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccccc1	408901469	FOXYMRKQWJKHIO-KOEQRZSOSA-N	453.588	6.825	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1	409005059	CHBNCGGNOMCRMU-LFVJCYFKSA-N	469.541	5.217	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(C(=O)OC)=C2C)cc1	409023306	XOWGANZVWPUCMA-ATVHPVEESA-N	460.313	5.047	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cccc(C)c2C)c1C	409035150	IXFHKENGMAFOTH-LICLKQGHSA-N	473.445	6.213	10	40	JKCB	
CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409105529	KUGOFDVILDWYOF-HZHRSRAPSA-N	490.625	6.781	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409338632	NHGMKYIXLZIVFJ-FYJGNVAPSA-N	493.566	5.813	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCCc2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCO2	2641018	WZYNDAUJBRUPMY-UHFFFAOYSA-N	476.554	5.181	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	8450584	CLMLPRVYHHMZAG-QLSUFNALSA-N	461.978	5.762	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccccc3C)c(OC)c2)SC1=S	9144512	BJJWSDBNIZBBDL-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1	9324361	AMHHUFCRKRUYSR-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
CCc1ccc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	9553715	XBIAPCRWSHQQCO-QNGOZBTKSA-N	462.036	5.971	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Cl)c1OCC	15930888	WETIQNYMWHTSHR-MFOYZWKCSA-N	452.860	5.962	10	40	JKCB	
COC(=O)c1cccc(Cn2cc(/C=C3\SC(Nc4ccc(F)cc4)=NC3=O)c3ccccc32)c1	33660123	GTBGGNYGCPLJTE-OYKKKHCWSA-N	485.540	5.698	10	40	JKCB	
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N23)cc1	35843981	QNPILTYMXWVDIB-NGDRWEMDSA-N	495.578	6.311	10	40	JKCB	
COc1cc(/C=C2\SC(N3N=C(c4ccccc4)C[C@@H]3c3ccc(Cl)cc3)=NC2=O)ccc1O	36633783	QGDAVXAOLZWGRK-ZPZBNPFISA-N	489.984	5.876	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1	38176254	PEOLFHKLKNRZLQ-XQNSMLJCSA-N	467.550	5.315	10	40	JKCB	
COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1Cl	41076699	SOMCHKANJCVBPF-JZSRTLTASA-N	475.961	5.115	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	58884050	ZYZXBNYBULKCCD-IMRQLAEWSA-N	467.565	6.266	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	59435728	QXBJBDOJRRDBIE-QPEQYQDCSA-N	457.140	6.177	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314982	VLBIDAVOCPLATJ-PNTFMKQHSA-N	497.064	5.303	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223420759	DQJSHIHHCNEGMH-KAYWLYCHSA-N	486.616	5.810	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223540091	NCDJOLPFPNINFX-GLFIFPSUSA-N	481.593	5.613	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223859669	ZIEWTVKVYMNPOZ-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223879509	SXOFWCJCCBOXLX-IZZNHLLZSA-N	498.608	5.158	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1C	223900015	RCSYGNIHETVGKH-VMPREFPWSA-N	495.696	6.349	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224206366	LDDHVNGZQIUSHM-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)c1	224232848	TYZRUJKXTZRICQ-KYJUHHDHSA-N	488.660	7.128	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224235002	LEBNMIMAJVISCT-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404151	LXCYMJGKTFVEAY-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N(C)C)cc1	225017742	FNJYDBMETCLBRU-IZZNHLLZSA-N	459.663	5.470	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225042775	BOMOASMVURKRSW-WDYNHAJCSA-N	495.696	6.272	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2)N1c1ccc(Br)cc1	408762242	DIZYZUULUREACG-JJIBRWJFSA-N	453.339	6.437	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)c1	408777383	YFIPXTMADVWQPG-RGVLZGJSSA-N	465.912	5.170	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	408780681	HYCCAKNNJVSKME-BUVRLJJBSA-N	469.928	5.567	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12	408806118	AUTRFHVHBIEISV-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1C	408807104	KGODTPNAACZZSI-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(C)c(C)c1	408868745	OITQVRPMCJEDPY-STZFKDTASA-N	488.515	5.087	10	40	JKCB	
CCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC	408870267	VRCGCJFUGHHKIW-UHFFFAOYSA-N	492.984	5.496	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c2C)cc1	408932817	ZKUAZKXVNJBOHH-UCQKPKSFSA-N	475.570	5.086	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1	409096417	DFQURYMEGIQGQZ-PXLXIMEGSA-N	478.957	5.556	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409160317	UCNUHDNDKHBECT-SOZUMNATSA-N	488.731	6.965	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC1=S	409204909	LVLHCLBSVVGQBM-KSEXSDGBSA-N	496.032	6.438	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1	409230792	GQIKMVJZURXSDW-CJLVFECKSA-N	492.044	5.921	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)cc1	409238479	DNVJYGCQGVVKDL-WGOQTCKBSA-N	493.632	5.953	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1	409244061	WYEXHJCCWDPUDG-IWIPYMOSSA-N	483.568	5.277	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1	409338349	IGBPGJDRJCZWQX-YBFXNURJSA-N	489.496	6.378	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)SC1=S	409343639	FJASBSNZVBFZFO-MTJSOVHGSA-N	466.540	5.886	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	1188084	VOJOUWZEJWCVNX-MOSHPQCFSA-N	452.513	5.659	10	40	JKCB	
O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1Cl)=NO[C@H]2c1ccc([N+](=O)[O-])cc1	2213474	ULYVHDIWVYPFER-QFIPXVFZSA-N	467.264	5.443	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2408340	UIOCVXAKKKONAX-ISJGIBHGSA-N	498.376	5.472	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2-c2ccccc2)cc1	6279988	OPGPBJGUPXSWTQ-UHFFFAOYSA-N	475.548	5.554	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	9232321	CKDODHVZCFSRBE-KEBDBYFISA-N	477.413	6.946	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC1=S	9232462	YOXILVLWNBEPLK-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1Br	9233489	ZIGLAVPCYBJBPY-OVCLIPMQSA-N	485.222	5.626	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	9309283	RUGCXQILECNDHN-IHRLJDSVSA-N	488.444	6.600	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9309696	BODWPKXREOIMBR-JFDFMHGASA-N	480.037	6.255	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)SC2=S)cc1	16292345	PGIHFLIHUBAKQE-UCQKPKSFSA-N	475.591	5.674	10	40	JKCB	
CCCCN[C@@H](c1ccc(N(CC)CC)cc1)C(Br)(Br)Br	17380305	JHZXOFMKKFEOIR-HNNXBMFYSA-N	485.102	5.802	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C(=O)OC)C1	20573133	PMEJTYIMDWFGBO-NJAFHUGGSA-N	461.624	5.462	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)o1	32109446	LZFZFMFOQBEODV-CYPXAJCBSA-N	479.518	5.063	10	40	JKCB	
CCOc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1	33652582	CHBOSAVSWJGJDL-BUVRLJJBSA-N	493.028	7.017	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c2ccccc21	33673938	VWUIXLVLUFZTQJ-XHKDLHGUSA-N	489.604	5.860	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35851514	ZSSSEMZRTYSCSG-ZNZIZOMTSA-N	497.541	6.013	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N1c1ccc(F)cc1	41108868	WTOFDQZNHCGOAL-QJOMJCCJSA-N	460.461	5.180	10	40	JKCB	
COc1ccc(/C=C2/SC(=O)N(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1OC	97673966	ISYBZLAMKXLFRL-ZMOGYAJESA-N	494.544	5.170	10	40	JKCB	
Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)c1	106708044	OGQBZINBHNZZMS-UUYOSTAYSA-N	470.516	6.658	10	40	JKCB	
C/C(NCCSc1ccc(C)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	112297525	QGMKWLGHNLBJGD-CLCOLTQESA-N	472.570	5.310	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1C	223560752	VGOGKJDLEUVAJD-SDLXJUDFSA-N	475.658	5.635	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	223887692	RWIMNOMLAGBLMG-CLJLJLNGSA-N	468.630	5.127	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223964411	FSMVCWBRQRARJQ-FTJBHMTQSA-N	482.613	5.020	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224221122	GQDJPBZZURTWDN-SXOMAYOGSA-N	496.636	5.761	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224237420	RMLGKKUFBKIPTC-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224339713	WQZYWCIRBUQFDQ-WUFINQPMSA-N	496.636	5.957	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224468450	UENKXYAHRLFPHA-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)nc1	225349496	FWHBRRCEKIDQFA-NSOVKSMOSA-N	497.668	6.157	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	260922611	QLZVUKYWGVHUIH-AGILITTLSA-N	467.038	5.294	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2Cl)cc1	408572785	IHIJQBBCLOBPCW-ODLFYWEKSA-N	461.008	5.276	10	40	JKCB	
Brc1cccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)c1	408736091	DXSVDUIQNWJKHY-VKJFTORMSA-N	452.133	5.880	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1	408764517	XFYNOGGWAGBUES-KGENOOAVSA-N	479.305	5.209	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	408810098	LOEDFVFXFSIBJX-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1OCC	408815680	SZVAVGSHMRGNMS-XNTDXEJSSA-N	477.344	5.156	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	408893971	PEPYHXRMSNCLCC-XNTDXEJSSA-N	450.691	5.119	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)c1C	408898887	YDOFXEHHBGEYBM-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	408902691	PYLKWVKBCRUOFF-FYJGNVAPSA-N	491.341	5.532	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	409190323	WTZUAHVSVKXCFH-LDADJPATSA-N	465.800	6.190	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(Br)c2ccccc12	409198477	BBZQAIUYWYLLPK-PXLXIMEGSA-N	457.371	6.527	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O	409221193	MJGBYUDGDUMEOF-FYJGNVAPSA-N	487.918	5.457	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)cc1C	409339545	VXQPUJQFGPVVKR-RGVLZGJSSA-N	479.535	5.366	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1OC	409350625	YOLBITRQHWRAIQ-OVCLIPMQSA-N	470.797	5.526	10	40	JKCB	
Cc1cc(-c2cc(NC(=O)c3ccc(F)cc3)n(-c3ccccc3)n2)c(C)n1-c1ccccc1F	3197584	IHTDJSBQNIVKSP-UHFFFAOYSA-N	468.507	6.477	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	8820072	DGDNGDRUEOTBEZ-JWGURIENSA-N	496.654	5.490	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	8984514	GOPNNFLCPCZDBY-ONAIEWRJSA-N	468.966	5.203	10	40	JKCB	
COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	9056425	UMCRPGLXQIPRFR-JAIQZWGSSA-N	467.348	6.871	10	40	JKCB	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)CC1	9209419	SHMIGUIEIFTTBI-HZHRSRAPSA-N	498.435	6.354	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9210145	HRCYYOSZZCDMHA-YTCPBCGMSA-N	499.541	6.142	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	9290814	CYEOBCFQTYHFKQ-MRDWGVERSA-N	474.011	5.086	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(C)c5)c4C)C(=O)N=C3S2)c1	9293506	ZHNSTTHLZHGALN-YNRWKYOSSA-N	483.597	5.409	10	40	JKCB	
Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccccc2)C1=O	9553429	OAGBTYZGGBTIQF-XQNSMLJCSA-N	492.578	5.767	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)SC2=S)c1	9805394	ACYCIXJDMPZCHJ-MTJSOVHGSA-N	481.982	6.023	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	9934445	PAUNKYNQFPGDIV-CPNJWEJPSA-N	477.372	6.131	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Br)c3)C(=N)N12	13892863	VRBKFMNARLWCQA-ALRRYEELSA-N	468.376	5.503	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCCOc3ccccc3Cl)c2)SC(=S)N1c1ccccc1	13942000	ZQSCTGLJEBMCFU-QJOMJCCJSA-N	482.026	6.594	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	15231336	PABFNVIIBHBIPH-FSJBWODESA-N	494.513	5.840	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	26580601	XESILPIOOHAHMN-GRVPHDJPSA-N	457.617	5.498	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S)c1ccccc1	40939909	DQYWJUKWQNSROI-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc2ccccc12	223093589	IWZUNWWQFREMBS-URLMMPGGSA-N	480.681	6.948	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1Cl	223225747	VPFDIFALVYQBNZ-DNQXCXABSA-N	468.070	5.067	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223344436	QNSHOGGRQRGHGY-FTJBHMTQSA-N	456.615	5.817	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N(C)C)cc1	223463648	XAJMSYHEYKLJOB-SXOMAYOGSA-N	482.657	5.123	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223533773	OHEORSGTMQUNPD-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223763955	ZOFGOHKQIJHFCY-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223764379	YGPBSQJISUNGHE-XCZPVHLTSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1	223857421	RDQMCYHBAFCPGP-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224470635	OGZWCLOMDMYZMY-RPWUZVMVSA-N	474.033	6.023	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224837099	MPNCCTMYCUYMPT-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1Cl	408530433	KZFJAGNETVGJKR-NDENLUEZSA-N	490.090	7.055	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)SC2=S)cc1	408574923	GQAWQAWZNMZGHN-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408781377	CBDVHWAICGDLLI-KOEQRZSOSA-N	485.584	5.457	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cc1ccccc1F	408885167	YBZAGVKVEMIJIY-VCHYOVAHSA-N	499.325	5.398	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	408987213	FDCWVSFIXRRLBV-UHFFFAOYSA-N	498.648	6.457	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1	409182579	MQQQJRDGKGQRQT-UDWIEESQSA-N	457.983	5.170	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1Cl	409239964	OXFABNSKYKDPBH-OEAKJJBVSA-N	476.363	6.402	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c(C)c1	409249182	SOOXITYADIHWLQ-YDZHTSKRSA-N	495.000	6.079	10	40	JKCB	
O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc2ccccc12	409343416	GYUNSAPPSMTQPV-HAHDFKILSA-N	471.563	6.004	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1Br	409347502	MLCYUKPGEPAJKD-UYRXBGFRSA-N	478.433	6.042	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(F)F	409360754	CBEKUHWRWYESLC-OVCLIPMQSA-N	461.433	5.721	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	409379978	DUEJEFLHRFSSPC-XYGWBWBKSA-N	453.494	5.559	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)ccc1OCc1ccccc1Cl	2700966	VWLYNOSOZYYQTM-SYERDGIWSA-N	492.018	5.382	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c1	13168545	KMZSPTMYAWYPCI-JHKOBTARSA-N	452.583	6.015	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3cccc(C)c3)C2=O)cc1	13685277	JFKWYPGZMMWJGP-SWYXWEQBSA-N	471.557	5.055	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	13774048	SWUSTLZQMIOWHC-RGEXLXHISA-N	467.641	5.479	10	40	JKCB	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1O	16477950	MYDZODUVXYNIRP-XMHGGMMESA-N	494.459	5.730	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@H](N1CCN(CCc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2	19370884	YBYSHTNOYRLRBN-HHHXNRCGSA-N	478.652	6.697	10	40	JKCB	
Oc1c([C@@H](c2ccc(Cl)cc2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	21486983	RSNBPTMQOCZYCB-RUZDIDTESA-N	482.386	6.298	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1Cl	26680991	OGAZVKRNXGAABX-LEXTUMAWSA-N	482.993	5.593	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1	33590851	ZXWOXBXWVZJXBB-DEDYPNTBSA-N	453.516	5.668	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12	33784977	QOPOSBATHWVELP-ULJHMMPZSA-N	486.574	5.690	10	40	JKCB	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1	100147383	VDOLRXWLUSWSPO-HYARGMPZSA-N	491.341	5.532	10	40	JKCB	
CC(=O)Nc1ccc2c(O)c(/N=N\c3ccc(/N=N/c4ccccc4)cc3)c(S(=O)(=O)O)cc2c1	104045316	AIHPHBBNLJQATD-TZZNUMCQSA-N	489.513	6.581	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1	113838856	CNUNYSFRYXGZES-ZVHZXABRSA-N	485.590	6.312	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501537	GKEASMFUWUHFSX-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	224207989	ZOOOYWCAIPJUSA-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1O	224604376	LAKJZLQKCPKSBG-LOSJGSFVSA-N	456.571	5.077	10	40	JKCB	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2	408736359	QUANWSWTEPAMMZ-LQWHRVPQSA-N	461.368	5.612	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(F)cc1	408800976	QSOLISIMKRESDF-CPNJWEJPSA-N	494.906	5.123	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)c1	408812855	NNGIBXRCSHXAHC-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)C2=O)cc1	408938734	RILKVQZCDGZALW-HMAPJEAMSA-N	491.341	5.003	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1OCc1ccccc1F	409043896	FTBQKEHINVKGRC-XNTDXEJSSA-N	476.376	5.906	10	40	JKCB	
O=C1[C@H](Cc2ccccc2OCc2cccc(F)c2)SC(=S)N1CCc1ccccc1	409139756	DTIHZXGJTMHESV-QHCPKHFHSA-N	451.588	5.419	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)c1C	409144177	NKUDPQCZBRJQCR-ZHZULCJRSA-N	479.026	5.939	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409247071	BPKJYZOGPNWZTQ-RQZCQDPDSA-N	453.789	5.956	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)o1	409343983	FCKQDDYQANYKIQ-UDWIEESQSA-N	484.580	5.991	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc([C@@H](C)CC)cc4)C(=O)N=C3O)c2C)cc1	2210256	GIBICELGYAPRPU-WYZSWBMLSA-N	469.585	6.677	10	40	JKCB	
Cc1cc(-c2cc(NC(=S)NC(=O)C(C)C)n(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1	3199052	JWELAMHEOFYETO-UHFFFAOYSA-N	475.593	5.555	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	9161456	DQIOEVRSTNKHDJ-HTYYESGYSA-N	458.012	5.386	10	40	JKCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(Br)c2ccccc12	16160640	AOUVSMRDZKYIOG-PDGQHHTCSA-N	467.298	5.170	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	33145047	ZUIQVQWIEXQRDW-WVOAQBTESA-N	474.464	5.017	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	35039935	RZAZVYANIOSLKV-JCMHNJIXSA-N	464.568	6.603	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	41083168	NRQKNOUBBOWFFA-ADZLKVMLSA-N	497.020	6.127	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCCCOc1ccc(Cl)cc1	41083662	JWJQYBGWZZYJQH-KZVRHOHFSA-N	498.004	5.754	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(OCc4ccccc4F)c3)C(=O)N=C2S1	41108093	DFPXXTCACGDVQS-JRUOFFEZSA-N	470.529	5.381	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)OC4(CCCC4)OC3=O)c2-c2ccccc2)cc1	58866067	QINGSDLLWFBABY-UHFFFAOYSA-N	489.571	6.873	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)c(C)c1	100486986	VZDKQEMOSBIJFB-KUVOYMNCSA-N	490.819	5.787	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1c(F)cccc1Cl	113837118	AZDYLSRQXCTNDA-LPYMAVHISA-N	485.989	6.473	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2C(C)=CC1(C)C	208511115	FJZBOZCNYBYVSU-UCQKPKSFSA-N	475.614	5.692	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224300352	DHMMZZCDZUVICS-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O	408537412	DUSNNQSQOZLEIJ-LTGZKZEYSA-N	470.953	5.364	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc(Cl)cc1Cl	408604131	STPOPLOAYAFQOR-NVMNQCDNSA-N	468.333	6.937	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1	408757084	WONZSSDKROEJKL-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408762219	AGTHOQLQDLUAEB-DEDYPNTBSA-N	465.278	5.121	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C1=O	408800132	KWHJJQAVOTTZOW-XQNSMLJCSA-N	496.950	6.047	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C)c(C)c1	408817606	VYGBEVVIHNTZDG-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)S1	408819495	XLRJVGCNEXTIDO-UHFFFAOYSA-N	471.433	6.781	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1	408841431	GYXMHAGOZONIFR-DEDYPNTBSA-N	466.266	5.331	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccccc1Cl	408891494	RKHXJMQCDDDJNZ-AQTBWJFISA-N	494.906	5.123	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409189296	OXMPEOHFSBBBLJ-OEAKJJBVSA-N	450.991	7.112	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1C	409230084	BFPQRHNAMVAUOA-CIAFOILYSA-N	497.542	5.561	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O	409232452	HWPOGUWXLCFEIW-XQNSMLJCSA-N	479.536	5.063	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c(C)c1	409250233	WPJPLNSHCSCDEO-WSDLNYQXSA-N	492.044	5.813	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)cc1	409254266	WMTQVYLPGGYEJZ-SSDVNMTOSA-N	498.808	5.911	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)cc1C	409340383	WBOFWWFUUGFOSZ-UUYOSTAYSA-N	464.568	6.494	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	409346440	KPQQWHKKPLFAPO-NDENLUEZSA-N	460.407	6.951	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)cc1	409347437	PWSNZUMLYORNMB-NDENLUEZSA-N	485.970	6.103	10	40	JKCB	
CN(C)c1ccc([C@@H](Nc2ccccc2)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1	2263555	VXBXCIQBQFDUGO-WHMAPKLYSA-N	491.616	6.882	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	2671718	YFTWXHGCIFJSIZ-ULJHMMPZSA-N	491.682	6.638	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087785	QLFPNAWQGVLPOU-UODIDJSMSA-N	467.952	5.671	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F	9290564	YUXYEUSBERVDEX-ZHIXYLIPSA-N	457.534	5.095	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(C)cc1	9731042	RBFRSWPEWCHSAA-UNOMPAQXSA-N	492.460	5.956	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)SC2=S)c1	12630971	ABGWQSOZYZETPI-MTJSOVHGSA-N	465.527	5.509	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)c(C)n1-c1ccc(F)cc1	13147830	GZMDJRCBXSIQFD-UHFFFAOYSA-N	496.995	5.769	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cccc(OC(F)(F)F)c2)cc1	20289224	IVDYAQUFSDRHJQ-KQWNVCNZSA-N	497.473	5.739	10	40	JKCB	
CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc2ccccc12	32111750	BKKKECPTSZGUMY-LPYMAVHISA-N	480.973	5.577	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccccc4C)C3=O)cc2[N+](=O)[O-])cc1	32125010	JTGWVGOXDKMYBA-HMAPJEAMSA-N	478.620	6.769	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1ccccc1F	41108272	RSJKERJSVAFDSR-ANYROYSUSA-N	489.601	5.743	10	40	JKCB	
CCN(CC)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1	103450579	DKSOSSRFICHCIC-DEOSSOPVSA-N	485.550	6.888	10	40	JKCB	
C/C(Nc1cc(Cl)ccc1Cl)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920938	SMVWRLNWTCRKAV-STZFKDTASA-N	479.392	6.740	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223101774	IDURHQMWYPJVCB-BDYUSTAISA-N	458.675	6.411	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223428545	ILBOTKXKTSPGJZ-SVBPBHIXSA-N	483.641	5.374	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224465997	OKOXELHVAALSSS-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c([N+](=O)[O-])c1	225019850	UFTDMRGRHJSQSE-DQEYMECFSA-N	491.617	5.321	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225049595	OBYPTNHOTPZOSY-RRPNLBNLSA-N	496.684	5.667	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1	225779676	LPAPKJMBEKBLPE-NHCUHLMSSA-N	463.021	6.646	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O	260569768	RXKYOHYWYNJHDU-GNFOSXPUSA-N	459.590	5.336	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccccc1Cl	408575273	NPBKAKRYIPJTDK-NDENLUEZSA-N	491.034	5.366	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3Cl)C2=O)cc1OC	408759416	DQFBYPSNAVGQKW-SFQUDFHCSA-N	486.782	7.135	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1	408766489	RKZRDGURGXCXKI-VXLYETTFSA-N	465.278	5.151	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)c1	408865849	DZAYXZNPTFKCKA-HYARGMPZSA-N	489.369	5.323	10	40	JKCB	
COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1	408867603	KQXIEULMELNMSG-YBXDKENTSA-N	476.414	7.172	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OC(C)C	409033235	OEBLFAVWOBXVNL-WZUFQYTHSA-N	474.813	5.637	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1	409130214	ITLWRKFONIDTQS-ITYLOYPMSA-N	484.646	6.825	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1	409141449	JUHMIHKBRACQFS-VWLOTQADSA-N	477.651	5.678	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O)Nc1ccccc1Cl	409232807	RYENJZXUZJIZAF-DEDYPNTBSA-N	473.957	5.144	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O	409234571	NVPFCQGRMDJFDL-KGENOOAVSA-N	469.928	5.318	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O	409248647	HPQIXZDRPBFXMB-UVTDQMKNSA-N	475.715	5.882	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O	409329169	DGQQCSAHBUKGJW-MXAYSNPKSA-N	475.679	6.877	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(SC)c2)C1=O	409338317	HRDZNUBWGQOABR-JCMHNJIXSA-N	451.638	6.756	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)cc1	409338488	KWDDFIQVAOLANR-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1Cl	2260931	TYGGUPSTBQXPJR-STZFKDTASA-N	484.046	6.203	10	40	JKCB	
Oc1c(/N=N/c2cccc(C(F)(F)F)c2)c(CSc2ccccn2)nn1-c1ccccc1	9235369	CXTXLHHWKAKIJV-BYYHNAKLSA-N	455.465	6.699	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	9292203	QWQFYTOEDLLXIN-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	9293194	ZBGHLQLHUBEQSD-BZULZASTSA-N	463.510	5.053	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	17300231	VYAUALQNJWTMTL-UHSICZIDSA-N	459.548	5.820	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O	19793181	RQBLCUFRGDRTIN-OAHLLOKOSA-N	477.479	5.940	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC	27563676	WSFLVIYIEMSMKR-QEQIRTOISA-N	485.627	5.681	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1C	41108306	QYUVLRCDXBGRJV-PAMLCIOASA-N	469.570	5.101	10	40	JKCB	
CC1CCN(C(=O)C2=CN(c3ccc(Br)cc3)c3cc(Cl)ccc3S2(=O)=O)CC1	49003994	VPGWWACYLOHYER-UHFFFAOYSA-N	495.826	5.128	10	40	JKCB	
Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1	58113523	XZRIEXUTDFCPNN-XMMPIXPASA-N	463.647	5.243	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2cccc(F)c2)C(O)=NC(=S)N1c1ccccc1F	59136422	BXDUERLPOGYLNQ-QGOAFFKASA-N	450.466	5.215	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Br)cc1	222615985	VNMQOSIEQZEFQH-RXYZOABWSA-N	467.436	5.841	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(=O)O)c1	223099774	GVVYTXMNDIIQQI-DQEYMECFSA-N	474.630	5.493	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1	223345703	WEBUKTVIUXSAGB-RPWUZVMVSA-N	463.006	5.908	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366922	AFZBPWHLSRQSBO-XZWHSSHBSA-N	494.708	7.352	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	260909940	AYBXPMKLGVUWIS-DQEYMECFSA-N	455.631	5.281	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1)Nc1ccccc1	408578125	VUHSAFJHGSIKTF-QJOMJCCJSA-N	474.607	5.148	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2Br)cc1	408752930	DKPHMLOMGBPPLY-XSFVSMFZSA-N	453.361	5.744	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4cccc5ccccc45)c3C)C2=O)cc1	408758013	ULOQRLFZVITICC-YZSQISJMSA-N	478.552	5.625	10	40	JKCB	
Cc1ccc(COc2ccc(N3C(=O)NC(=O)/C(=C\c4ccccc4OC(C)C)C3=O)cc2)cc1	408833524	SWORRVSMFZSEGX-LFVJCYFKSA-N	470.525	5.028	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1	408937107	HXVNDTZTEGDMBR-PXLXIMEGSA-N	475.342	5.470	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)cc1	408984665	JAVBBOCRCHQQDD-NCELDCMTSA-N	475.544	6.767	10	40	JKCB	
COC(=O)c1ccc(C)c(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1	408986253	PCVQDHRSUBQJOR-UDWIEESQSA-N	464.348	6.560	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c(C)c1	409072192	JBVOISLWPNKZOT-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1	409102098	XXBZNPHUQFYXGD-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1	409102976	WWQCSYVWMPUJED-KGENOOAVSA-N	478.017	5.450	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1F	409236658	SUFPPNACMKDUDS-RGVLZGJSSA-N	468.326	5.089	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O	409242054	UFIXHBVGKKBMAE-VULFUBBASA-N	474.670	7.008	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(NC(=O)c4cccs4)C3=O)c3ccccc32)cc1	409338958	RBOUIYUPIKGTAW-XKZIYDEJSA-N	489.647	5.606	10	40	JKCB	
O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccc2nsnc12	821818	QLTZXVZHXIXXGH-UHFFFAOYSA-N	479.370	5.051	10	40	JKCB	
CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)cc1	924782	CGKCAERDZDJVAE-UHFFFAOYSA-N	450.539	5.127	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(C(C)C)cc4)C(=S)N=C3O)c2C)cc1	2397190	AWAZCGHNACTTLU-IWIPYMOSSA-N	457.599	6.198	10	40	JKCB	
O=C1/C(=C\c2ccccc2Br)SC(=S)N1CNc1cccc(Br)c1	3114092	MJFIKDAFOFLCFG-OVCLIPMQSA-N	484.238	5.482	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9193485	XLCDJIMZNNKOSW-VYYJKSKHSA-N	484.368	5.661	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Br)o1	9851161	SOQYRVVVPLRZAH-KEBDBYFISA-N	495.373	5.176	10	40	JKCB	
CCCn1c(CNc2cc3oc4ccccc4c3cc2OC)nc2cc(S(=O)(=O)N(C)C)ccc21	11619438	RIAVUHZRQDOEAT-UHFFFAOYSA-N	492.601	5.217	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc2n1Cc1ccc(F)cc1	13943570	FOWZXGJLNSISRF-IUCHBDIMSA-N	499.615	6.337	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(C)c(C)c1	33430411	UHMWHHCKUNYUKQ-KQWNVCNZSA-N	471.644	5.771	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	33633208	BLHJMKZBHBWGBH-OAKZWBAKSA-N	455.558	6.423	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC)C2=O)cc1Cl	34889225	TYGGUPSTBQXPJR-KGENOOAVSA-N	484.046	6.203	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c1C	41076721	GMZIFWCAAKPDJL-FSWFDUBRSA-N	499.665	6.167	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccccc2Cl)SC1=S	41077636	HFWSMXKVXIJRML-PDGQHHTCSA-N	454.400	5.672	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	41082855	NQEXMJKUCQQDJV-GZYMTNKHSA-N	474.417	6.210	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847429	QMQVJADMIGVQJL-UZINWLIJSA-N	497.016	5.985	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	59959362	KPFBYYSXVSTTNQ-UQQQWYQISA-N	453.538	5.447	10	40	JKCB	
CCOc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1	100525155	BZZAOKJCSFWLTI-ZFZZVZNFSA-N	484.379	5.846	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)c2C)cc1	106740133	CAYMKFOACKEHIU-UUYOSTAYSA-N	470.953	6.132	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21	208243875	LMNDAGONWOBWRC-HHGUGQKFSA-N	460.430	6.798	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1	208716368	OLJXJDGJKCCOPW-JCMHNJIXSA-N	481.570	6.448	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927457	PRKHVPZPLZZVBV-ZEQRLZLVSA-N	479.606	5.034	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224012579	JAGCEEGVADDNDX-WUFINQPMSA-N	496.636	5.957	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1F	224463914	MQYJQXWAPGFBOY-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224622503	XZICPFIFHJYMKH-IZZNHLLZSA-N	498.608	5.158	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)cc1	408740250	FEVKBCWOPQDJKV-WJDWOHSUSA-N	457.338	5.393	10	40	JKCB	
CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	408985266	LGGSNAXORPJRKF-CJLVFECKSA-N	492.402	7.422	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C=C1c1ccccc1	408986330	PSLLJQCTKQCBQB-NCELDCMTSA-N	475.544	6.767	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	409019643	VIEYCTIJPZEXQK-GDNBJRDFSA-N	451.828	5.245	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C1=O	409134964	OWUCKOPCAXHACK-BUVRLJJBSA-N	480.561	5.495	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)o2)ccc1Cl	409211298	NIPDKLLVMFLJLE-FYJGNVAPSA-N	499.997	6.191	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	409222352	WTBVTKCKIVUUDH-NPQOUYBPSA-N	462.933	5.645	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1	409230168	CDHOJHUOGMSRHH-XDHOZWIPSA-N	495.944	5.463	10	40	JKCB	
Cc1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C	409332205	HBLCKXZQFQUIBV-UHFFFAOYSA-N	458.590	7.515	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(Cl)c1OCC	409341759	BXAQACCCGPFOHF-STZFKDTASA-N	470.015	6.696	10	40	JKCB	
Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2cc1Cl	931558	WWADGPUONAVJQF-UHFFFAOYSA-N	451.979	5.160	10	40	JKCB	
O=C1NNC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cn(-c2ccccc2)nc1-c1ccccc1	3066307	MFMXBIONDMQKFH-LPYMAVHISA-N	474.351	5.268	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3cc(Cl)ccc3OCc3ccc(F)cc3)C(=O)N=C2S1	8452954	QUNOAHYQGFSJPM-JETDESNFSA-N	456.930	5.333	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc3ccccc23)C1=O)=C\c1ccccc1	8763479	PEDILIBNJXZXFC-NRMSWXAWSA-N	472.635	6.406	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	9291707	OLXUCJIRWHIODS-VIZRJVHBSA-N	483.597	5.409	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)O)c3)C2=O)cc1Br	9311241	LJFHZSVFOKSIOP-XDHOZWIPSA-N	476.326	5.627	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)cc1	9553664	PPGHCLRPCMQPNT-GGMSWHNTSA-N	498.579	5.633	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(N(C(=O)CC)C4CC4)s3)c2C)cc1	9672510	GAKASUSYVLTVSD-UHFFFAOYSA-N	484.647	5.225	10	40	JKCB	
CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	13025235	YLINRSKCIIGOOM-AREMUKBSSA-N	475.589	5.191	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N1c1ccc(F)cc1	20324541	FRNAHROBHKEDCF-WQRHYEAKSA-N	456.882	5.871	10	40	JKCB	
COc1ccc(-c2noc(-c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc4ccccc34)n2)cc1	33140362	KFJKHAJBQFVPNG-UHFFFAOYSA-N	493.567	5.296	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4Cl)C(=S)N=C3O)o2)cc1	59137961	NBTGFTJVFTZWHE-RVDMUPIBSA-N	489.405	6.718	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)N=C3C)o2)ccc1Cl	59227189	FMHBCQHPGYYMGE-CPNJWEJPSA-N	469.324	6.236	10	40	JKCB	
CCCCCCN1C(=O)C2=C(c3cccs3)N(CCCCCC)C(=O)C2=C1c1cccs1	95093180	HCEQHUGBHMKOMB-UHFFFAOYSA-N	468.688	6.777	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	102258563	LJIWTCOZEBXBSZ-JYWFKMLOSA-N	473.635	5.606	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(F)cc1	211957141	CBHAQVDGFXSKDL-HYARGMPZSA-N	494.569	5.258	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222968244	IBKQLBITKLMILS-KAYWLYCHSA-N	475.706	6.108	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(F)cc1	223384046	DDLVABGFZHGEKG-CLJLJLNGSA-N	456.590	5.801	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862132	XBGWPOFDYABXBQ-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(C(=O)O)cc1	224435176	MCIKUSYWBOKGCK-LOSJGSFVSA-N	486.572	5.504	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	224567115	ZAPOBWKYCVJXIA-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccn1	225037392	VEOLNBHNTWQSAI-KAYWLYCHSA-N	482.657	5.359	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21	260925679	WTMGNJADCRNIAP-IZLXSDGUSA-N	482.697	7.014	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccccc1	408577571	TVXUCCKLPIFWHP-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
C1=C[C@H]2c3cc(C45CC6CC(CC(C6)C4)C5)ccc3N[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C1	408737140	LAPRAKKEKUFOPJ-OUYAEXANSA-N	481.683	9.287	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1Cl	408778814	LPGBMIMKKQZLTL-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408842608	OXEWVNHPKHWNJB-QGOAFFKASA-N	477.904	6.437	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F	408945471	WMQVICSLNQIJEF-KGENOOAVSA-N	493.332	5.609	10	40	JKCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C1=O	409143447	NEWHOSPZTSILRK-HMAPJEAMSA-N	468.579	5.439	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409153820	NIGVNCDPNRLMJN-LPMFXHHGSA-N	454.286	6.312	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc2ccccc12	409331646	OBZPLJNRPJSOOQ-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409348160	RNBWRQPWDABNQP-ODLFYWEKSA-N	483.502	5.336	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OC	409352998	ZTHIGLOTIALSTM-NVNXTCNLSA-N	470.797	5.526	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccc(Cl)c(Cl)c1	3084316	HQKAPTHKFWBWFX-WCSRMQSCSA-N	464.226	6.571	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1	3317070	GIQVSJVDYKXXPK-UHFFFAOYSA-N	468.834	5.701	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1	8438083	CAXWMSYKTSJJMR-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	8450651	CUPAHEXHMSPQMR-SDGGQIDFSA-N	461.497	5.040	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1OC	8821508	DFYICBXVKSAHSG-HYARGMPZSA-N	496.566	5.316	10	40	JKCB	
COc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br	9296539	FNNJMXWNTMDKBJ-NTEUORMPSA-N	485.222	5.626	10	40	JKCB	
COc1ccc(C(=O)Oc2cc(/C=C3\SC(Nc4ccccc4)=NC3=O)ccc2OC)cc1	9956923	HERCTCCOFINMGL-JCMHNJIXSA-N	460.511	5.005	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCCCOc1ccccc1	16185204	KFEUEEHWHUGLAK-XQNSMLJCSA-N	481.379	6.647	10	40	JKCB	
CCCN(CCC)c1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1	16678219	ROYSIONMCNRYIM-HKWRFOASSA-N	498.421	5.359	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccccc2-c2ccccc2)cc1	20289099	ULVUXCQASISKKI-RRAHZORUSA-N	477.539	6.638	10	40	JKCB	
CC1=NN(c2cccc(Br)c2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1Cl	22537723	IHLYICMMCWODEJ-UNOMPAQXSA-N	455.743	5.403	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccccc3)=N/[N+]2=C2\NC(=O)S\C2=C/c2ccc(N(C)C)cc2)cc1	32594632	POFJXRFLYVAMOH-NMTARAHESA-O	483.617	5.519	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(Br)cc1	33706118	UQKVIRJKRJTVNQ-FYJGNVAPSA-N	495.304	5.674	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl	33714199	WDBZUIPJFYKWDJ-UCQKPKSFSA-N	482.026	6.642	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)Cc4ccccc4)C3=O)cc2)cc1	35039482	FVKLTWMIPPKDCM-HZHRSRAPSA-N	474.607	5.049	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58849809	NZAKKFLDABCULI-LZCXECNNSA-N	491.569	5.539	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc(F)c1	59418252	NDAROXCQKAWSIH-VCHYOVAHSA-N	460.895	6.053	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	59435711	QKIYJNYUCBQLPR-KQWNVCNZSA-N	459.929	5.796	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c(OCc2ccccc2)c1	214171127	ZNSUBMFYPPKJSG-YZSQISJMSA-N	472.610	6.348	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1	223536405	CIZHXZCLQMYWFV-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1	223879026	KHTGVLPUYLIHGO-LOSJGSFVSA-N	456.571	5.072	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224299223	YDYKDEWJQCEKQP-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408752776	KBEXLMYMLVDXBZ-XSFVSMFZSA-N	463.389	7.351	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Cl)c1	408865553	CVOYUVNTLSUISX-PDGQHHTCSA-N	464.880	5.033	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(C)c2)C1=O	408877780	YMGJAIKVWCWHAR-JCMHNJIXSA-N	474.944	5.456	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C	408965484	HQXDVSCOLCVPTN-UCQKPKSFSA-N	477.561	5.471	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4OC)C3=O)o2)cc1	408986659	SCRJMURFBAADBC-PTGBLXJZSA-N	477.516	6.213	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409023864	LCQYTLLZARVJDG-MSXFZWOLSA-N	494.374	6.450	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	409039025	QINCMMDSMVUGQF-MHWRWJLKSA-N	492.831	6.421	10	40	JKCB	
O=C(Nc1ccccc1)c1c(NS(=O)(=O)c2cccc3cccc(Cl)c23)sc2c1CCCC2	409121419	WVTBANUURLYTDZ-UHFFFAOYSA-N	497.041	6.487	10	40	JKCB	
CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C1=O	409133181	PARBNXNZCBJNFA-HMAPJEAMSA-N	468.579	5.439	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1	409203536	XRGFEMNLOJJBPE-UNOMPAQXSA-N	461.486	6.380	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C(=O)NC2=S)cc1	409236986	UECXMDDDABEWJH-UNOMPAQXSA-N	494.956	5.253	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1C	409239410	MNOFLYRJTMFNJL-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409338035	BVNOSEBTDUDQES-RQZCQDPDSA-N	495.376	5.170	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)cc([N+](=O)[O-])c1C	409349588	VLJFFNBARXXSQF-JAIQZWGSSA-N	454.504	6.017	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1	3346187	OFYHNQDWEPMYOW-UHFFFAOYSA-N	499.513	7.042	10	40	JKCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	9291974	LTZSOLZQNDQNJJ-RKQIHDTFSA-N	464.403	5.341	10	40	JKCB	
O=C(COc1ccc(Cl)cc1)Oc1c(-c2ccccc2)c2nc3ccccc3nc2c2ccccc12	9380016	KIVPDOYEWLLPKB-UHFFFAOYSA-N	490.946	7.241	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c2ccccc21	41076786	QJAJRBRNEITXLC-KZVRHOHFSA-N	465.538	5.258	10	40	JKCB	
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(c3ccccc3)=NN12	41107959	ZXMNJTROOUXGJS-WJOFZGQRSA-N	491.576	5.388	10	40	JKCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1	103919905	IZBIJDHTFAERTE-ODLFYWEKSA-N	475.357	5.255	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223348929	FFYHQTSRHNQVJN-IZLXSDGUSA-N	499.684	6.101	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223764560	YGPBSQJISUNGHE-IXCJQBJRSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(F)cc1	224602930	LBXJNIMFAVBLEB-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224837616	VREXMPXXURUYMQ-VSGBNLITSA-N	498.652	5.992	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	225059787	WULHTSCONJBOJR-WUFINQPMSA-N	497.668	5.664	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)c(Cl)c3)C2=O)cc1OC	408755897	SEGWXKCHJCQLDF-GZTJUZNOSA-N	496.346	6.180	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)NC1=S	408810693	LAIWSYUACZMLNZ-XDHOZWIPSA-N	481.980	5.280	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1	408987841	ZAYBAEKAPHSAAK-LYBHJNIJSA-N	490.559	6.271	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c1OCc1ccc(Cl)cc1	409197286	AOHGJBJZFXPHJA-FYJGNVAPSA-N	485.030	5.883	10	40	JKCB	
CCCN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S	409338482	KTOSAEODOHNDGK-HMAPJEAMSA-N	454.016	6.683	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OC)c(OC)c3)SC2=S)cc1Cl	409345807	JYLGHYTUOIPFGS-PXNMLYILSA-N	456.372	5.425	10	40	JKCB	
CCOC(=O)c1c(NCc2cc(Br)cc(Br)c2O)sc2c1CCC2	1902218	ZENXYAYYNBYKFK-UHFFFAOYSA-N	475.202	5.256	10	40	JKCB	
CCCCCCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccc2c1=O	3299655	GVNJJRHXMXFSER-UHFFFAOYSA-N	485.584	5.424	10	40	JKCB	
N=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	8983462	FTPPVEWSWYQFGC-WXXRCWSISA-N	481.577	5.839	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1	9188791	GLLYBVDEOYTVHB-XYGWBWBKSA-N	475.635	6.551	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1	9762130	XTKKHEJHJTWPHD-SUYASHRRSA-N	462.575	5.118	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(-c5cc(Cl)cc(Cl)c5)o4)C(=O)N=C3S2)cc1	13940312	ZUURJKRRWQFYPE-OVWOPLSRSA-N	481.364	6.229	10	40	JKCB	
c1ccc(-c2nc(/N=N\c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)[nH]c2-c2ccccc2)cc1	17377922	QXLSJYLIVVIWCQ-KXYMVQBMSA-N	466.548	8.216	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc(OC(F)(F)F)cc1)C3	20559433	MYIJISOIFGARBT-UHFFFAOYSA-N	467.443	5.947	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2Cl)cc1	33458325	NHFLALHVQLPACH-BELHHVBQSA-N	482.993	5.560	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(C)cc(C)c3)cc2[C@H]2C=CC[C@H]21	58846650	NYSJQUVPSLHKAY-XXAUWVGASA-N	460.599	5.939	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58849736	LBQVRQHHXJKGTE-LZCXECNNSA-N	481.017	6.284	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)C(=O)N1c1ccccc1	83313209	YOEJTAZXWNDHKA-CPNJWEJPSA-N	450.853	5.565	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N\c2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	100367557	NVBYMNFFVGBGMZ-RUPNCABQSA-N	470.510	6.254	10	40	JKCB	
CC(=O)[C@@H](/N=N\c1cccc2c1C(=O)c1cccc(Cl)c1C2=O)C(=O)Nc1ccccc1Cl	104125449	DENOJOSCTNRQOA-KRAFASIDSA-N	480.307	5.449	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21	208443202	YJKSOTNFUVTMIE-MTJSOVHGSA-N	482.005	5.647	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1	208668395	ZHYRENMCHCGKTF-ZDLGFXPLSA-N	466.798	7.313	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224011943	MHIORTOAVKSNIX-SVBPBHIXSA-N	482.609	5.703	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	224168670	JFDVBJULNJXQNE-KAYWLYCHSA-N	467.642	5.732	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172771	FGMDWKYBKFDJTF-IAPPQJPRSA-N	466.654	6.537	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224208729	WFURNTKKCLIXQC-LMSSTIIKSA-N	480.681	6.845	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224233616	UIACLLJXBGVJTH-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1-c1ccccc1	225382721	PBJSCYBYNRTOQW-URLMMPGGSA-N	494.664	6.679	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	260567755	MQGAHANVYDQWRS-VYZAVGSRSA-N	495.023	5.372	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1	408787285	WNFFZVGSVXXSIF-UHFFFAOYSA-N	462.509	5.073	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	408801389	AJZAPNXWELPNEI-QGOAFFKASA-N	467.308	5.239	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1C	408807998	LZDUJKQWEMFJIH-OEAKJJBVSA-N	488.971	5.819	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)c1	408900015	SGEZHCJQWYVZQH-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)c(C)c1	408937156	MMYLSFMKZQMEGI-ONUIUJJFSA-N	476.532	5.702	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1O	409103823	WYOLSUWGPWUCQT-CIAFOILYSA-N	480.542	5.198	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S	409174893	VHUSIGNLZUTGCQ-FOWTUZBSSA-N	487.027	5.393	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)o1	409175495	RXTRNPNOQHJWDK-MTJSOVHGSA-N	490.537	5.245	10	40	JKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	9069321	BYCZHEKEIDZGHA-PLFNIDSXSA-N	468.966	5.547	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)c2)cc1	9188746	WGMUXIQRXQAQDC-HAHDFKILSA-N	474.607	5.429	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9293624	MGTJXYXOCIVBKH-UKHUTJJTSA-N	483.597	5.355	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	9477930	JYBCTTGGQDFZBT-JXQFQVJHSA-N	470.783	7.693	10	40	JKCB	
CN(C)c1ccc(/C=C2\S[C@@]3(C(=O)Nc4ccccc43)N(c3ccc(Cl)cc3)C2=O)cc1	32597939	DHCLRSMFMQROIT-GMPUOFRTSA-N	461.974	5.332	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	33579163	ZXMNYQQBAXZMIC-JRUOFFEZSA-N	471.561	5.463	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)c(C)c1	33664267	YRLZTQZWVPCUBL-XKZIYDEJSA-N	467.566	5.026	10	40	JKCB	
O=C(Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1)c1cccs1	100185049	QGUIKMZEMKDKKR-PTGBLXJZSA-N	450.519	5.802	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(Cl)ccc1O	222912026	FXUKQAYMCQEVPO-PKTZIBPZSA-N	455.027	5.477	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224202570	WJLHQWVCOAKSJI-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224303752	FNKFMWVXJYGUDH-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225042606	GXSUOGFOJXJVDA-WDYNHAJCSA-N	495.696	6.272	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2[C@H](C)CC1(C)C	260572334	URAVHGFCJHBNOL-SUVVMJBMSA-N	479.602	6.332	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1C	408773329	IAYSGHTXWQJBGM-LPYMAVHISA-N	492.373	5.140	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	408776286	YHAZFFHUKUHITD-IMRQLAEWSA-N	498.623	6.377	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccc(F)cc1	408805911	IGSBDJILWRYGGH-XDHOZWIPSA-N	494.906	5.042	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C	408814421	PKLUEAMZQLLKOZ-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1Cc1ccccc1Cl	408869945	RHTCLYDHAWIQNM-JCMHNJIXSA-N	488.971	5.558	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)C2=O)cc1	408900485	SYQLMOJXUSPQEF-QJOMJCCJSA-N	488.515	5.250	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1F	408942880	RBWGCTFSSDUTHH-UDWIEESQSA-N	478.907	5.509	10	40	JKCB	
CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)C1=O	409203688	XFXUOPVWTSGAHP-LFVJCYFKSA-N	496.629	5.491	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)C	409340031	OZQUOBNUJBMCOX-ODLFYWEKSA-N	467.534	6.297	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	409349538	QSCMAELTGUMCHF-DEDYPNTBSA-N	468.003	5.294	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1	727934	AWGVEHQOJNUJEQ-LSWZVTSFSA-N	472.614	5.236	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(CC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)c1	1249279	IDOXLVHIOZETGV-XQNSMLJCSA-N	474.607	5.130	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc(C)c1Cl	1916157	VEONTYNDOYCHFD-UHFFFAOYSA-N	481.898	6.566	10	40	JKCB	
O=C1c2ccccc2-c2onc3c(N4CCN(c5ccccc5)CC4)cc(Nc4ccccc4)c1c23	2228046	NTKRZXRQPLMBPI-UHFFFAOYSA-N	472.548	6.109	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)cc2)cc1	2700651	VILIDXQCUWDJSI-UAPYWLNTSA-N	475.591	5.601	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	3337078	MFKCQZZFZIZACO-UHFFFAOYSA-N	492.497	6.896	10	40	JKCB	
CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C	3355600	HREHJZCMVHABQS-UHFFFAOYSA-N	466.559	5.005	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	8442661	YKJMQPTYJSHAOV-UBBRYJJRSA-N	490.397	5.642	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C	9293252	LZLQOWTWTLKOBR-SSOZYACPSA-N	479.949	5.017	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccccc1	9296457	WIGOMHAUOTUQAU-WSDLNYQXSA-N	486.445	6.974	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C=C1c1ccccc1	9311240	YKXPBJQHIHBRIA-XMHGGMMESA-N	461.315	6.137	10	40	JKCB	
COc1ccc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)cc1	27551362	UYKWXDWERJBXSF-SUJAKXCHSA-N	497.576	5.457	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccccc1F	33888804	JOSJQMWDGBFGQX-NIZMMVCKSA-N	477.952	5.554	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3c(Cl)cccc3Cl)N4)sc2c1	58851163	USYZACJDHBAZCY-LEHBWIKQSA-N	463.433	8.405	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc2ccccc2c1	100525105	PNXZLHOGGYQOKF-CWHMERMBSA-N	490.386	6.601	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C	208226660	GMGWDRWOKJPMIO-BDQMVGTNSA-N	481.593	5.531	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C1=O)[C@H](C)CC(C)(C)N2C	208231553	CFAQGDSKNOUDQA-YFEUJDIGSA-N	486.399	5.690	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)N21	222671091	RDWDLYKGGMOHKV-YFXJRYMSSA-N	470.564	6.487	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc5ccccc45)c3C)N21	222693667	ZBCARHXODNSYBK-COFKYPDJSA-N	452.627	6.622	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	223039843	FRPQIQLIXBFVLG-DHIUTWEWSA-N	488.579	5.517	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1C	223560867	BXQJJKAHYQNIIR-WQZUMXOESA-N	475.658	5.635	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862553	OGLUFZDRXYEBCV-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1	224165886	MCTUXAINGXQIBW-JWQCQUIFSA-N	459.018	6.320	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224205165	XGAQJQOWWWTKPM-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224303076	HQAJCKXWXJHACX-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	408577696	UJUAHKCDVUUDLL-HAHDFKILSA-N	492.597	5.811	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OC(C)=O	408743410	SWMZDQJDHWBAMZ-VGOFMYFVSA-N	494.135	5.127	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	408816420	YOYOKLTUWZWDEJ-CXUHLZMHSA-N	477.344	5.156	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Br)c3)C2=O)c1	408870043	ROSVOJUCJGBXTP-UDWIEESQSA-N	493.332	5.154	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c([N+](=O)[O-])cc1OCc1ccccc1	408972712	QXUOBFJTELIJET-UNOMPAQXSA-N	497.429	5.531	10	40	JKCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)S3)CC2)c1	2436558	AUFFSPVZYPWQFT-HAHDFKILSA-N	498.435	6.354	10	40	JKCB	
Cc1cc(C(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)c(Cl)c1	8763238	ZXMIWVWJGJLZQF-UHFFFAOYSA-N	472.372	5.059	10	40	JKCB	
COc1ccc(-n2nnc3c4c(c(Nc5ccc(C)cc5)cc32)C(=O)c2ccccc2C4=O)cc1	8818266	SQKJJWNFTHZZJW-UHFFFAOYSA-N	460.493	5.257	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N(Cc2ccccc2)c2ccccc2)C1=O	8819352	NFLPGRMNTSHCEL-MOHJPFBDSA-N	488.634	5.520	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	9553924	BMOLUYQSQVKPRZ-ZKWSLEOOSA-N	487.585	5.148	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	9763312	PRLJSRVZWIPGCE-LXIYXOSZSA-N	465.185	6.055	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1-c1ccc2c(c1)OCO2	13147709	WHWZQORZSYUTAQ-UHFFFAOYSA-N	469.493	5.655	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1Cl	16732397	WXMQYGSHRRKPLH-VOMLJKFNSA-N	498.073	6.591	10	40	JKCB	
COc1cc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)c(OC)cc1Cl	20288353	VPKLZIRUOXHWFX-HAHDFKILSA-N	492.919	5.402	10	40	JKCB	
O=C1/C(=C/C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1Nc1nc2ccccc2s1	32598187	MHONAJLQIGXKOH-QLBXNTAJSA-N	474.976	5.556	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	35039177	MMUMQNWIDOHUCZ-KOEQRZSOSA-N	475.635	6.027	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1	58848827	ITQFXVVWTUSPKS-SGIRGMQISA-N	477.542	5.231	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccccc1Br	59136176	RNBSCVJLAGBUIR-FOWTUZBSSA-N	498.377	5.667	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(O)=NC1=S	59182243	RHIZDSRUSXCBSC-RQZCQDPDSA-N	458.370	5.483	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1cccc(Cl)c1	59418122	ZEXPFWAAPKHTMA-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4C)c3C)N21	222702192	ZRSAENXUCIMWQQ-PUZWTLIVSA-N	451.039	6.430	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222875188	POFWFXZLINXPEM-YADHBBJMSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc2ccccc12	222916451	MMKQQLLXRCXPFE-SVBPBHIXSA-N	454.643	6.271	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224202135	QDNCTRAUSKYJKO-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224202624	KLHBZNUCDCAIKM-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224273820	SIDKZGIIJOPIIZ-SXOMAYOGSA-N	467.642	5.987	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	224327865	QQRTYOKWAJRAII-IZZNHLLZSA-N	453.615	5.624	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224337624	KWASTJRASAZMMF-RRPNLBNLSA-N	496.636	5.927	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(F)c1	224602583	WTRWVYLFCZJSHL-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(Cl)ccc1C	408572720	HVVPHLMMBCGFMX-JMIUGGIZSA-N	491.034	5.284	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O	408574352	LYPMILKKRLXNIA-HAHDFKILSA-N	492.597	5.811	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1	408766252	AVZUSSHYCCGHDG-LFVJCYFKSA-N	465.484	5.258	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Cl)c(Cl)c2)C1=O	408876680	PUDUVSRVAVAJNM-XDHOZWIPSA-N	465.336	5.559	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409008866	NTCXKPJDOBWYJT-QFEZKATASA-N	474.988	5.929	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1	409098900	MPJMMDYMEFOOPX-FYJGNVAPSA-N	478.017	5.504	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	409224994	OPFOOJAORPYBOG-LPYMAVHISA-N	450.947	5.667	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)SC2=S)cc1	409327719	LSEDDGCGBYFBNM-LFVJCYFKSA-N	461.608	6.379	10	40	JKCB	
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)c1	409333385	JCWRKRVHDHNASP-UHFFFAOYSA-N	475.533	6.807	10	40	JKCB	
C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nc4c5ccccc5c5ccccc5c4nc3c1)C2	409337149	YECDIMMDWXEDEJ-AABGKKOBSA-N	491.660	7.510	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)SC2=S)cc1Cl	409342484	DLIPDANHBREJII-LPYMAVHISA-N	470.015	6.695	10	40	JKCB	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(Br)cc1	409343623	FFJXQZWNHODAGA-RIYZIHGNSA-N	473.186	5.757	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1	409349901	WNTNTVWEEYIGQR-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1	1011730	IBWQMCLALIBJNS-JAIQZWGSSA-N	469.324	5.042	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2	8820520	MTTSTRCYURDCAE-AZKAHUBSSA-N	466.672	5.309	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O)=C\c1ccccc1	8820568	FLKXZKXXDRSXHB-GEZYKDBCSA-N	467.572	5.161	10	40	JKCB	
CCO/C(CC)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1	9678660	CXJQVEZXPLCJOJ-ZZEZOPTASA-N	458.008	6.145	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CCOc3ccc(C)cc3)C2=O)cc1	13550659	QHPNSYORODDNQJ-VXCWRXKNSA-N	471.557	5.055	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=O)c1	13894743	PRXLPDFLFBFGAO-XHPQRKPJSA-N	498.579	5.417	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(C)n1C1CCCCC1	16268241	NWZWJTPYISTJDH-NDENLUEZSA-N	470.367	5.879	10	40	JKCB	
CC(C)C(=O)N[C@@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl	16790877	FDPCBXYTYJWREV-QUNNOBFSSA-N	472.829	5.857	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4F)c(OC)c3)SC2=S)cc1	23402709	KQYKLGOLQPUTQE-HMAPJEAMSA-N	495.553	5.468	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	30718984	XIIYOVSWWIUCNG-JLFKZYKSSA-N	462.918	5.298	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	58846103	KLJNUUZZOIWMJC-ANSQWYIGSA-N	499.463	7.183	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	113838013	SHHMEGXGTKRXCH-SRZZPIQSSA-N	473.450	6.802	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(F)cc1	223384097	DDLVABGFZHGEKG-FTJBHMTQSA-N	456.590	5.801	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223405328	BZGRMTICVFRVHK-KAYWLYCHSA-N	496.636	5.448	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1C	224402935	BDSLQHVOSBGPMN-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(F)cc1	225043972	KFEFDQLOAPCBQD-IZLXSDGUSA-N	499.659	6.103	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1	408573846	KYTIETHGBDOBRR-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408637590	ANTBLFWTYQKAHI-LJQANCHMSA-N	486.955	6.286	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C(=O)NC1=S	408776012	KRUHZSDQQKUZGJ-HKOYGPOVSA-N	477.589	5.592	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)S2)cc1	408780605	GBCKXEZUNQXUTF-VCDQAHEJSA-N	482.005	5.608	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c(C)c1	408882999	SJSSTEPKUPQPOE-QRVIBDJDSA-N	495.442	6.710	10	40	JKCB	
CCOc1c(Br)cc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)cc1OC	409142873	DSNMZAKBKWNFAP-LJQANCHMSA-N	494.476	5.261	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)c1	409340065	PVYIMUMOCNAMDE-VCHYOVAHSA-N	459.907	5.843	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)SC2=S)c(C)c1	409345949	MVDWHJIIKTVPBS-WPWMEQJKSA-N	481.642	7.441	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc2c(c1)OCO2	409346008	MNVQUSDPXNPXTA-JJFYIABZSA-N	492.534	5.308	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1	980641	PJLCTNURUFYNMK-ODCIPOBUSA-N	497.912	5.572	10	40	JKCB	
CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccc(C(=O)OC)o1	1902720	DRJHBZRJRVBNGT-UHFFFAOYSA-N	460.526	6.541	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	2671724	GOMRUCPQQGTBBD-JCMHNJIXSA-N	463.628	5.858	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9487170	RJDRRLWMJNDVLV-UBFVSLLYSA-N	498.922	5.271	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C(C)C)cc3)C(=O)N=C2S1	9969802	AHWHBAXRZBLSFC-ZJRBDENDSA-N	476.602	5.605	10	40	JKCB	
CCCCCCc1ccc(OCCOc2ccccc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	12285204	LIYXTKQBXYDXIA-BYNJWEBRSA-N	482.624	7.073	10	40	JKCB	
Cc1cccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)c1	27549552	RMQMOBFCXOCXQK-VHDUERLVSA-N	462.575	5.118	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1	35042573	ZHPRDYNXGKLTCD-BUVRLJJBSA-N	457.555	5.615	10	40	JKCB	
COc1ccc(N2CCN3c4cc(Cl)ccc4C[C@]4(C(=O)N(c5ccccc5)N=C4C)[C@H]3C2)cc1	36056319	HPOGXLKBIXABFL-IXCJQBJRSA-N	487.003	5.009	10	40	JKCB	biogenic
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl	40005896	KEDLPFWXGFXVLL-GIJQJNRQSA-N	454.400	5.802	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(F)cc2)N3)cc1	43781700	UFYLZPWFVCSJOQ-OTNCWRBYSA-N	450.535	5.462	10	40	JKCB	
O=[N+]([O-])c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	58850028	DISCIHYWDDYFSI-YZUZCNPQSA-N	492.513	5.130	10	40	JKCB	
CCN1C(=O)/C(=C2/C=C(/C=C3\Sc4ccccc4N3CC)c3ccc(C)cc3O2)SC1=S	102945883	DMHRUXWLKBTQBT-BRTVWGSHSA-N	478.664	6.336	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21	208467522	AYAALBMSBADOEB-JMIUGGIZSA-N	499.398	5.157	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2C(C)=CC1(C)C	208521285	UBWNPIMFJDIUJC-LDADJPATSA-N	498.410	5.990	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	222972019	MMJIWBNTCKUAMU-ZEQRLZLVSA-N	479.606	5.179	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1	223460980	YQQCSGNIESRTMP-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224170391	LVTZIGZRZRSKES-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)C1	260801660	KLFNXOAMRCSMFZ-PMACEKPBSA-N	472.048	5.805	10	40	JKCB	
CCc1cc(Br)cc([N+](=O)[O-])c1N/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)N=C1C	408530624	JJKNVAFZDBGDIV-YBEGLDIGSA-N	477.746	5.600	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)c(O)c1	408632775	KJAFOEUUVNPJAN-GRSHGNNSSA-N	475.954	5.168	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1C	408767350	ZOSAEPVCPNHXCE-WSDLNYQXSA-N	463.990	5.196	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/C=C/c1ccccc1	408843834	FXDCZHKBJOHJTH-HVNUAVMJSA-N	452.554	5.377	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C	408901408	FAXVJIBFVXZBAW-MTDXEUNCSA-N	479.555	6.618	10	40	JKCB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC	409330730	LRGANTPKXOLNIB-ZDLGFXPLSA-N	464.406	5.571	10	40	JKCB	
Cc1ccc(NC(=O)CN2C/C(=C3\SC(=S)N(C4CCCC4)C3=O)c3ccccc32)c(C)c1	2695487	UDDAFTZUHCGTNY-HIXSDJFHSA-N	477.655	5.276	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1	8765568	KXVPDTQEKYXWAJ-MNDPQUGUSA-N	463.621	5.270	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1	9209948	VOEHCUUQJVVJRZ-PJEGGFSQSA-N	475.662	6.807	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1	12032598	NTAKBKJZXPMQFW-KGENOOAVSA-N	493.679	5.581	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O	16162425	HDYNRZKUIJIZAJ-XSFVSMFZSA-N	490.943	5.156	10	40	JKCB	
COc1ccc(-c2coc3c(CN4CCCC[C@@H]4c4cccnc4)c(O)ccc3c2=O)cc1OC	36592865	IBKPSVLFMZANJP-HSZRJFAPSA-N	472.541	5.305	10	40	JKCB	biogenic
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	36593255	MEEWREGRWOPSME-AEVKUXSFSA-N	481.625	6.079	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1	83261376	UKLGKOZMTZOEAK-DEDYPNTBSA-N	480.879	5.573	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)SC2=S)cc1	113834739	DUXKDEUHFWBZGC-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Cl	223384331	UGGFRFFLJBASNZ-FTJBHMTQSA-N	473.045	6.315	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223797126	WWGLUMXALYPNDM-SXOMAYOGSA-N	486.616	6.204	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223856646	LQJZNEXSKKYHEJ-SXOMAYOGSA-N	468.626	5.934	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)nc1	224021487	HNIPUEDXKPDPQT-IZZNHLLZSA-N	483.597	5.098	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224239211	VPJKBBMVHQYZAV-RRPNLBNLSA-N	482.609	5.703	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224303396	GYWHTIIPJKPNJH-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(F)c1	224432459	OECNONBORCHUFX-JWQCQUIFSA-N	460.553	5.944	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(=O)O)c1	224434993	UGURFDQJCGUGFA-LOSJGSFVSA-N	486.572	5.504	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1-c1ccccc1	225621932	SROKGIZLOALRQS-RRPNLBNLSA-N	499.615	5.321	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2Cl)c1	408803234	MTTZMRHVFOYDSD-DEDYPNTBSA-N	460.917	5.202	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)c1C	408883904	RTUUQNRPCYJMBO-HYARGMPZSA-N	462.908	5.353	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1	409032466	JPEZSRYWQLWSCF-YBEGLDIGSA-N	492.831	6.421	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O	409052596	IRZSINJUJYXLHI-YVLHZVERSA-N	464.406	5.263	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)S1	409092306	UBJSUOMTLCBUKN-FRKPEAEDSA-N	455.750	5.332	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1	409210159	IJSCJWPOTHOAGT-LPYMAVHISA-N	480.973	6.165	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)c1	409230025	WMOCYRNRTAIBPD-PCLIKHOPSA-N	479.605	5.695	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1	1156046	DUHZABRSXSFNIH-CPNJWEJPSA-N	465.625	5.349	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c(C)c1	1255845	KIEVOYMDVHGVDR-HAHDFKILSA-N	483.524	5.432	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc12	1791594	MIQUVIOZLYRKLD-UHFFFAOYSA-N	469.887	6.585	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccc(F)c(Cl)c1	2887436	GKRRTUYISDMSSM-UHFFFAOYSA-N	472.010	6.355	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c(C)c1	8872157	IBWLVBFZQVERRG-RCCKNPSSSA-N	486.398	8.342	10	40	JKCB	
Cc1ccccc1COc1ccccc1/C=C1/C(=N)N2N=C(COc3ccccc3C)SC2=NC1=O	8984147	KFCZBMDDGPXPBW-CSEHATQYSA-N	496.592	5.581	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1	9057241	UKIQMWHULYKVCD-CNGOPUHISA-N	455.645	6.269	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3c(ccc4ccccc34)N21	9193109	YQABZEKEFAZJFG-AWCRTANDSA-N	469.540	5.862	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)SC1=S	9232520	XAHYALUZGWPGNJ-MFKUBSTISA-N	489.065	7.366	10	40	JKCB	
N=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12	12437033	WIDYSEVJLIBYTJ-BZNUJRAWSA-N	499.301	5.754	10	40	JKCB	
Cc1cc(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(C)n1-c1ccc(OC(F)F)cc1	13133737	SUUMFZOIPYTVOY-UHFFFAOYSA-N	492.309	6.207	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1	13562321	PKGGONVFBFBMIJ-QHCPKHFHSA-N	468.066	6.329	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(C)cc4)cc3)C(=O)N=C2S1	27533917	CLLSRTKJPFPIFB-JRCZNVDKSA-N	464.616	5.585	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	33719179	VCFWWRVFVGRKJX-PVHODMMVSA-N	489.502	5.735	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccccc1Cl	34720779	WQUQMNZMOYLZFF-NIZMMVCKSA-N	494.407	6.068	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)Nc1nccs1	44086226	XKGLOAVJOJQIKH-UHFFFAOYSA-N	475.393	5.141	10	40	JKCB	
Cc1ccc(/C=C2/SC(N3N=C4/C(=C/c5ccccc5)CCC[C@@H]4[C@H]3c3ccccc3)=NC2=O)cc1	51330100	WXSSLMSYHIVNMT-IGXJSORYSA-N	489.644	7.262	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OC(=O)c2cccs2)cc1	100184455	GRYIGAVGJLMOMY-GZTJUZNOSA-N	457.338	6.080	10	40	JKCB	
O=C1NC(=S)S/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc12	113834183	KSIUFGXJCNVVFD-YBFXNURJSA-N	456.386	5.670	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1	222584147	VCIQHJPAQCCDRZ-UHFFFAOYSA-N	486.037	5.225	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926084	LXMSSOJMXWTNBS-BJKOFHAPSA-N	479.606	5.034	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1ccccc1	223916468	BGPAFZYWLLCXJG-FTJBHMTQSA-N	453.615	5.424	10	40	JKCB	
Nc1c(N=Nc2cccc(/C=C/c3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	245238940	CRCOCKHORNPKSY-UMZWSDKASA-N	469.526	6.131	10	40	JKCB	
COc1cc([C@H](Nc2nccs2)c2ccc3ccccc3c2O)ccc1OCc1ccccc1	408533370	QQCOTVIJGOLDFR-SANMLTNESA-N	468.578	6.791	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1cccc(Cl)c1	408572779	IEPHEARIIPIGMV-XKZIYDEJSA-N	495.025	5.759	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)cc1	408800540	NSXLEZMJIZFGQH-NLRVBDNBSA-N	490.559	5.956	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1	408900393	SIUFRVUWHFJADN-ITYLOYPMSA-N	498.579	5.728	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408935570	DCOBLCICIMYCJS-HYARGMPZSA-N	465.336	6.014	10	40	JKCB	
O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)ccc1Cl	408983325	AXZIRJZLTCSPMM-MHWRWJLKSA-N	470.739	6.816	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc(C)cc2C)c1C	409035768	QPTGZNUSOYCAQX-LICLKQGHSA-N	473.445	6.213	10	40	JKCB	
Cc1cccc2c(/C=C3/C(=O)N(c4ccccc4)N=C3C(F)(F)F)c(C)n(Cc3ccccc3)c12	409050607	XTFUVMSYQLUEGF-LFVJCYFKSA-N	473.498	6.655	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409050806	ZZSLMALYLDLCKV-BJMVGYQFSA-N	460.786	5.249	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409125703	DWCILRFTHRNOSZ-TWBKXSQYSA-N	480.699	6.522	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	409246136	FNNBHZCIEQRRJL-WPWMEQJKSA-N	493.632	6.202	10	40	JKCB	
OCCN(C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1	409331905	DYVLQINGUXAFAE-UHFFFAOYSA-N	474.589	6.285	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1Cl	409338873	PXEZUTPTJBCKIT-VCHYOVAHSA-N	486.914	5.612	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)SC1=S	409379359	WJJHWIBANXKFMV-UCQKPKSFSA-N	466.603	6.033	10	40	JKCB	
CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	8819844	PLLPWAYMIVRZDG-XLNRJJMWSA-N	468.644	5.658	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821382	LCTKXDHDHILGRY-UUYOSTAYSA-N	496.009	6.331	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	8983753	VEPGHONUAZOQCL-KRKDOYDSSA-N	482.993	5.737	10	40	JKCB	
COc1cc(C)ccc1OCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	9849439	KFPUAJLEDDKQJN-ULJHMMPZSA-N	477.607	5.867	10	40	JKCB	
Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1F	13025199	KBOCXCMGRQIIEP-VWLOTQADSA-N	463.553	5.240	10	40	JKCB	
COc1ccc2ccc(O)c([C@@H](c3ccccc3)N3CCN(C(=O)c4cccs4)CC3)c2c1	13097038	YGXXIVUCGJDLEZ-AREMUKBSSA-N	458.583	5.163	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1cccc(F)c1	13805574	HCVFJDAAIAZCQT-AXZYZTBISA-N	489.601	5.743	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12	14274661	JZDOQXRQNJXABX-UHFFFAOYSA-N	479.388	6.504	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1Br	14414571	BCHNSOBOCKZSQU-WJDWOHSUSA-N	477.152	5.089	10	40	JKCB	
COc1ccccc1/C=C1/SC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=NC1=O	15277006	HKVUGXFSRMBJHL-LKUDQCMESA-N	469.610	5.073	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccc(Cl)cc1	16790827	MPTKZYZDPKPJKT-ZHZULCJRSA-N	458.004	6.093	10	40	JKCB	
COc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	33430200	YWNPNPZUKLIGPF-BWAHOGKJSA-N	491.634	5.945	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1cccc(C)c1	34793783	TVECZDNVWKIGOY-UQQQWYQISA-N	468.553	5.163	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)c1	36082015	PXQJTGUUKMYALT-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
CCCCOc1cc(Br)c(/C=C2\SC(=S)N(CCCC)C2=O)cc1OC	36613164	UIEJKWINSSNVTO-BOPFTXTBSA-N	458.443	5.638	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCc4cccc(C)c4)c(Br)c3)C(=O)N=C2S1	41083677	WONCBDQECIWAOE-ALRRYEELSA-N	468.376	5.503	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1	58846022	MPVGTCWQETWJIG-BXTSTYNKSA-N	474.626	6.410	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1cccc(F)c1	59135049	UNFMLYOPCPCTBB-FYJGNVAPSA-N	478.451	5.449	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccc(F)cc1	59418150	STAAFZFBQRIQLM-BUVRLJJBSA-N	495.597	6.218	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(-c4ccc(I)cc4)o3)C(=O)O2)cc1	83260618	NPGPUIFVEMODOR-FOWTUZBSSA-N	470.262	5.541	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1	85877074	WZHUUCNGDZHJKA-UHFFFAOYSA-N	473.529	5.996	10	40	JKCB	biogenic
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc21	208450824	UQCDSFDMQHJGOO-JJFYIABZSA-N	452.023	6.671	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223540518	OAFGDUDTGMEJDS-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223863192	LLUMTUATTPOJLQ-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)nc1	223865668	SDZYGAQXOZZMGR-RPBOFIJWSA-N	455.587	5.075	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224336102	ZVOGRBZPPYWACE-SXOMAYOGSA-N	487.072	6.882	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224465873	OKOXELHVAALSSS-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224466076	PXPZPDAJMAMJQJ-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	260917888	JPXCINXCNWAWPU-IZZNHLLZSA-N	489.088	6.539	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	260924269	SYHZFGZKJMLBGV-DHIUTWEWSA-N	455.071	6.139	10	40	JKCB	
CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	408572077	FDUQZUMOSVIRBA-JLPGSUDCSA-N	488.634	5.668	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C)c(C)c1	408809546	OGPOMRMQDWXYFH-MFKUBSTISA-N	498.579	5.564	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Br)cc2)c1	408841767	KZRZBZJIRIZFQI-KOEQRZSOSA-N	467.366	6.745	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1	408876193	JVUMMURKTQWGCY-HZHRSRAPSA-N	478.907	5.135	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br	408903181	VGCKFUSDWFIWJT-OQLLNIDSSA-N	464.157	5.416	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1OCc1ccccc1	409103224	XMPPOBTWQLFMIH-SFQUDFHCSA-N	497.334	5.247	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	409107806	QUHKSAJKERJDAD-XYOKQWHBSA-N	453.709	5.100	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC1=S	409127198	PFLXFAYFKOSLMY-HAHDFKILSA-N	450.629	5.968	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccccc1	409138655	GDMPEIDLDVSJLN-JLPGSUDCSA-N	491.037	6.780	10	40	JKCB	
CC(C)CN1C(=O)[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S	409145680	PAMHAIAOFIIFRI-LJQANCHMSA-N	482.440	5.595	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C	409181231	ZYEYBSJLUBSNIA-UDWIEESQSA-N	479.539	5.018	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S)c1ccccc1	409208156	BJVLZIPUEFNBIH-LDADJPATSA-N	474.485	5.512	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c1	409239542	HFLFMSIYRRNKSF-FYJGNVAPSA-N	461.949	5.339	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OCC)c3)SC2=S)cc1	409348504	NWQKJBDLIUCSJD-GZTJUZNOSA-N	480.405	5.358	10	40	JKCB	
O=C1/C(=C\c2cc(Sc3ccccc3)ccc2[N+](=O)[O-])SC(=S)N1c1ccccc1Cl	2093311	IGERMESHMOJQOC-DEDYPNTBSA-N	485.011	6.805	10	40	JKCB	
CCn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)Nc1ccc(C(N)=O)cc1	9126696	USTGOLNHBBTBGC-UHFFFAOYSA-N	456.571	5.067	10	40	JKCB	
CC(=O)Nc1cccc(N/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1	9423523	RSIOYMLSASLWOI-CAPFRKAQSA-N	477.652	5.354	10	40	JKCB	
COc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccco2)C1=O	9849457	XBDUFZOKMOFNQK-KQWNVCNZSA-N	481.595	5.538	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	13361784	ZVWNMHXVFZPFQG-ATLLOTDBSA-N	466.990	5.976	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3cccc(OC)c3o2)SC1=S	16736976	SPWPUBVKLBXCSI-MOSHPQCFSA-N	461.568	5.515	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3C)C(=O)N=C2O)cc1OC	33752794	OEKSDJFGQHOPLF-WJDWOHSUSA-N	473.323	5.062	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCc3ccccc3C2)cc1	36369764	ANCHELUGTGNZIK-MUUNZHRXSA-N	455.646	5.580	10	40	JKCB	
CCc1ccc(-c2nc(C)c(-c3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)[nH]n3)s2)cc1	38487640	FULWJXRFDKKVKT-UHFFFAOYSA-N	487.629	5.042	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	58849956	WLSNMMMUNUCYHH-SGIRGMQISA-N	461.543	5.531	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21	208194487	MQUUYMKDLAMPCT-HIPSJFSSSA-N	498.446	5.002	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223424990	VDPBYEGXTFRYAI-VMPREFPWSA-N	496.680	6.287	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223458401	SZXYFOAODGUKCM-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224538386	XKEWVRRMPAJOIV-RPBOFIJWSA-N	469.614	5.378	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224898470	GFELYUSXPRLULS-WUFINQPMSA-N	484.644	6.676	10	40	JKCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1	225952048	JHLFTQYHSQMWRI-UHFFFAOYSA-N	488.661	5.346	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c(C)c1	408754579	GIVRHAWJEDATQV-QNGOZBTKSA-N	459.929	5.915	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)c1	408765806	YDXTYLCGACZSBS-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1C	408843895	HMQGQWYHHWSMAJ-BUVRLJJBSA-N	497.982	5.935	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1C	408850432	NPEQARCYVNLTJI-PCLIKHOPSA-N	463.537	5.531	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1ccc(Cl)cc1	408871777	ZXXQPZIQDNXIMS-UYRXBGFRSA-N	494.906	5.123	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	408910982	MJPIOZZSRZWGIM-BUVRLJJBSA-N	484.458	5.363	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1Cl	408915793	YSPTUOGOMNGDQN-UDWIEESQSA-N	494.906	5.123	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1Br	408985012	KGUTWWVFBRSSFK-RCCKNPSSSA-N	460.371	6.628	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N(c2ccccc2)C1=O	409019572	ZSONXEFNPVOVSU-XHPQRKPJSA-N	499.611	5.417	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)C(=O)N(c2ccc(Cl)cc2)C1=S	409020024	LNDYRGATJGHDFA-GZTJUZNOSA-N	463.386	5.344	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409020504	PZKQAEMXLJYOJV-JAIQZWGSSA-N	475.416	6.120	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccccc1F	409077719	GOCCIRGACRLHQD-VBNMEBLOSA-N	494.009	5.447	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc(Br)c1	409125393	ABXMXDIQGBMCGU-CIAFOILYSA-N	473.436	6.473	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	409126759	BMOPIIFYMDOGJQ-FFAHCDIZSA-N	492.666	5.799	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	409141475	IBEPUAWRRPATQW-KQWNVCNZSA-N	450.991	6.417	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	409145100	MEGXRXSVCLSOOO-FAPYRAKZSA-N	491.034	5.381	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1Cl	409208463	BVINMDDAVPLDLC-YBFXNURJSA-N	495.931	7.033	10	40	JKCB	
O=C(O)c1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409335911	ZPUVIQPQCZUTQX-AUWJEWJLSA-N	454.754	5.207	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl	409342550	DUEYYKJDEJXAPZ-OCKHKDLRSA-N	485.926	5.433	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1OC	409344413	JFEUQKABGCXYPM-MHWRWJLKSA-N	497.379	5.023	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F	409345476	IRRSBSVNPRLURE-ZVHZXABRSA-N	493.028	7.196	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1	409346618	LSAFZEGRASVTGC-IMRQLAEWSA-N	497.641	7.223	10	40	JKCB	
CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2264568	FYRSNNFWZQQEPS-ZORMNXRFSA-N	465.578	6.206	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)ccc1OCc1cccc(F)c1	4209086	NBOBKKLPIHVXJK-LPYMAVHISA-N	474.488	5.537	10	40	JKCB	
Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(N(C)C)cc2)C1	8624036	PHCHWQRLXLGKBX-IFMALSPDSA-N	454.540	5.776	10	40	JKCB	biogenic,in-vitro
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	9310266	UMKJZJACZFIHLY-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1Cl	9427585	QNICSQHGQZLUOO-UVTDQMKNSA-N	491.714	5.582	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cccc(Cl)c2C)cc1	20289118	CUOVXYKUNRTIJU-ULJHMMPZSA-N	461.949	5.803	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(CC)cc1	33430354	HBLYVIPNDJLGAN-JWGURIENSA-N	457.617	5.327	10	40	JKCB	
Cc1cccc(NC2=NC(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)S2)c1	33880994	VPLYIGVDDHDCIG-BKUYFWCQSA-N	491.638	6.123	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	59248580	PZODTNCWMNLRNJ-MHWRWJLKSA-N	460.704	5.104	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	208305687	NCDJOLPFPNINFX-NXUSMQHESA-N	481.593	5.613	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(Cl)ccc1O	223338035	IJEHOCFJGZNMBP-RPWUZVMVSA-N	479.005	5.614	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C	223539843	KCIYTGKIQPHZFR-CPEHUTGBSA-N	463.603	5.474	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223859774	CXSBOUWEVBWZQE-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404682	UOAPKXLIYMFIGA-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224897938	YBKJVXNLVXVPLC-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225349063	DMWRAPSQYDDEQU-VSGBNLITSA-N	497.668	6.157	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408764316	MEGTVXIGUKRMIW-KGENOOAVSA-N	463.331	5.301	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1	408845001	PXNNYYRAJKOEIZ-DEDYPNTBSA-N	472.169	6.590	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1ccccc1Cl	408870497	FQHRTJUWAARKJL-UYRXBGFRSA-N	478.907	5.135	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O	408887824	RLLQPEQUWDPJGM-CPNJWEJPSA-N	464.880	5.033	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)c1	408999840	SNSJZPCHNMHNIC-XSFVSMFZSA-N	479.388	7.051	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)N(C)C1=S	409123341	FTEMIKNCNHBISU-HAHDFKILSA-N	492.626	5.573	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)SC1=S	409333669	VCNRAUMFUSFOLK-UDWIEESQSA-N	453.564	5.030	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)c1	409339084	DVPOLXLPYQWYTQ-RQZCQDPDSA-N	490.006	6.189	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br	409350342	XYBDLXHJANCYBU-XDHOZWIPSA-N	462.434	6.261	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)cc2)cc1	2100892	SZGUWLDVMTURRF-GKHUGMHQSA-N	462.634	5.450	10	40	JKCB	biogenic,in-vitro
CCOC(=O)c1ccc(NCc2c(O)c(I)cc3oc4c(c23)CCCC4)cc1	2157744	HGCKDDKOKBQWTC-UHFFFAOYSA-N	491.325	5.411	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c(C)n1-c1ccc2c(c1)OCCO2	2635136	WJDQPKQCGIHSOR-UHFFFAOYSA-N	453.579	5.444	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1	9281183	LFNKQHPUBFSMCT-IYYHIDBJSA-N	467.598	5.573	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)cc(Br)c3O)S2)cc1	18193723	VDBIIJOYEVSJPJ-NVNXTCNLSA-N	498.196	5.398	10	40	JKCB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)c1	19791758	KWHQULMVYBEZAL-INIZCTEOSA-N	461.480	6.301	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1	19793041	SXYIMVLWLYSQAP-OAHLLOKOSA-N	461.480	6.247	10	40	JKCB	
COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)NC(=O)c3ccc(Cl)cc3)CC2)cc1	23181611	DXIFPKQYJNOTNU-UUOWRZLLSA-N	470.038	5.092	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)SC1=S	27018161	JJCJKSUPCACYLS-QJOMJCCJSA-N	461.656	6.629	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	33728898	GOISOKBADWLJJN-CJSRDQHASA-N	473.989	5.723	10	40	JKCB	
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)SC1=S	35112979	OBRLTGLJIYCQLW-BOPFTXTBSA-N	458.630	5.120	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35848256	OZBUWUCMKVRRFD-ZNZIZOMTSA-N	479.551	5.874	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)c(OC)cc4OC)c3C)C(=O)N=C2S1	41108473	KTBOGSBYLQCVMM-LQDTWPQUSA-N	485.997	5.184	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222965791	AKUOFVUNMHIZOX-GOTSBHOMSA-N	483.479	6.024	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223748973	OHTWWPJNXHZIHW-UIOOFZCWSA-N	470.642	5.899	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223764783	NXUMEQHGBJZUPY-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224303861	FNKFMWVXJYGUDH-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	224327823	QQRTYOKWAJRAII-FTJBHMTQSA-N	453.615	5.624	10	40	JKCB	
Cc1c(Cl)cccc1N(CCCC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1)S(C)(=O)=O	224403662	UMAASURVMACWHD-FQEVSTJZSA-N	492.085	5.062	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608879	WKCIDWOORMGXGZ-UIOOFZCWSA-N	498.608	5.378	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1	408535835	XCTBQRIVICJFOX-MTJSOVHGSA-N	472.031	7.345	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1C	408739824	FYCFUUUWWGIRGP-WSDLNYQXSA-N	463.990	5.196	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	408865900	FGRFOQUSEJEAAG-OYKKKHCWSA-N	465.018	7.107	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1Cl	408873487	UTMMGTBNCCLKJC-UDWIEESQSA-N	483.326	5.698	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O	408877158	QILSXDPKRHWALT-STZFKDTASA-N	490.943	5.156	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1	408982026	FGEMAKLDMMEAMD-MTJSOVHGSA-N	461.949	5.339	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([C@H](C)CC)cc3)C2=O)cc1	408987074	VKSAWGWEHWDYRV-CTNNYUBMSA-N	458.001	7.724	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1	409070248	NQFLOKZRMSCKJR-PXLXIMEGSA-N	462.958	5.720	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	409328252	QQLDSSWTBOAOIG-BKUYFWCQSA-N	464.568	5.425	10	40	JKCB	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Oc4ccc(Cl)cc4)cc3Cl)S2)C[C@@H](C)O1	585152309	NMJMVONNYLZERI-NEBKDIACSA-N	463.386	5.865	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S	1187065	MSZBCDKVCHDKBA-WQRHYEAKSA-N	464.406	5.258	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	1255801	AJLYKCRUGRGNBX-CHHVJCJISA-N	475.806	5.860	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	9296587	UTSNQXAWPBJAEQ-WOJGMQOQSA-N	476.457	6.279	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1	9849709	ZXWOXBXWVZJXBB-MOSHPQCFSA-N	453.516	5.668	10	40	JKCB	
Cc1cc(C)c2nc(S[C@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc(C)c2c1	12542204	CJBBVBICTSDZOD-GOSISDBHSA-N	480.589	6.055	10	40	JKCB	
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	12546826	BMQPDJVNBGIHCF-UHFFFAOYSA-N	492.519	5.789	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	16347115	DARHLCCVRGYZNW-YBFXNURJSA-N	450.321	6.471	10	40	JKCB	
O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O	18091150	HJVPEMFHYXOOPR-QVIHXGFCSA-N	462.465	5.861	10	40	JKCB	
CCCCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1	22419207	NXFQMCVXPUIIKT-LJAQVGFWSA-N	486.660	5.853	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)o2)cc1	27017407	HIMCOYWCWPQGNU-CJLVFECKSA-N	463.580	5.567	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58848108	BJFZELWTJLTEAB-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21	208253029	SHDFDCBSWGQXIQ-YYLUKMIBSA-N	475.441	6.952	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C	208305179	KCIYTGKIQPHZFR-VVRYKASASA-N	463.603	5.474	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222950666	YPYALPQAWABVTP-DHIUTWEWSA-N	472.580	6.281	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(F)c1	223495977	XOSRYZQRGUKWJJ-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223796639	KPPIWUXMEYODPT-SXOMAYOGSA-N	486.616	6.204	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900581	QLWDMDVQCLSLIM-WDYNHAJCSA-N	495.696	6.349	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224234721	XVBURDDZOMWSRZ-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1C	224271662	WSSGDDACVZYMPU-YTMVLYRLSA-N	480.681	6.900	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224339761	WQZYWCIRBUQFDQ-VSGBNLITSA-N	496.636	5.957	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224875215	JEKJEYVBAITMSS-DQEYMECFSA-N	490.032	5.729	10	40	JKCB	
S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)Nc1ccccc1Cl	408735967	YZOIUIHEQLFPFS-UHFFFAOYSA-N	464.981	7.552	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1	408882415	RAJFIHHIKGPSPX-PCLIKHOPSA-N	498.579	5.510	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	408901863	IBJYDEANTMLMGO-XDHOZWIPSA-N	465.512	5.197	10	40	JKCB	
COc1ccc(Oc2ccc(N3C(=O)/C(=C/c4ccccc4)C=C3c3ccc(Cl)cc3)cc2)cc1	408986919	SSHUNELCVGSXLA-FCDQGJHFSA-N	479.963	7.612	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)cc1	409095079	GQWIPXGWCSXTIW-HYARGMPZSA-N	454.592	5.425	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Br)cc1F	409103036	CVBOAVBQKQWQOO-KEBDBYFISA-N	486.316	5.228	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)cc1Cl	409240901	MANSNFXISJDBRN-UNOMPAQXSA-N	499.444	6.284	10	40	JKCB	
O=C(CN1c2ccccc2Sc2ccccc21)SC1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1	1676135	HZMXFYSXUAORMF-BKUYFWCQSA-N	495.050	6.873	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S	1805146	LFBIGAVOWOLUCI-OVCORXIESA-N	455.944	5.627	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1cccc(F)c1	8712107	KOMYLWJEZAZGNM-MFKUBSTISA-N	471.578	6.964	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1	9730680	DNSMYRMRVIEVKA-UNOMPAQXSA-N	464.008	5.254	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	16401701	DBKLGOGRECKKFP-BKUYFWCQSA-N	477.860	5.334	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S	40567415	LWLLIJOYYCEJIL-FBKCMUNRSA-N	453.994	5.008	10	40	JKCB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)c(C)c1	100899144	CBAPORZLOWXHFY-FUDKSRODSA-N	483.351	5.367	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223795777	YOHLIGBPUHPNTE-IZLXSDGUSA-N	482.653	6.373	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223865226	DSMYGJCDWVCVBX-LOSJGSFVSA-N	455.587	5.075	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224187987	CNXKRKIHXKTRCS-FTJBHMTQSA-N	482.609	5.453	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Br)cc2)cc1	408765533	YGBVDWRGKLAQHV-XQNSMLJCSA-N	476.374	5.358	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Br)cc2)cc1	408842830	LCBOBWPSIHTGRR-KOEQRZSOSA-N	483.365	6.445	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	409196946	SZRUPHLMODXZEW-JFENUBAZSA-N	478.433	6.041	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(Br)c3)SC2=S)cc1	409327021	GOYDYRKSYDGTRS-PDGQHHTCSA-N	464.406	5.652	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC	409330935	NNSJOKBMFJIBLK-OTGIAGGSSA-N	467.534	6.297	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(C)C	409343553	DWBFHZMROAHNGJ-KEBDBYFISA-N	482.454	6.833	10	40	JKCB	
CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cc(C(=O)O)oc1C	1902723	VVWJROPOIVSXSJ-UHFFFAOYSA-N	460.526	6.761	10	40	JKCB	
CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1Cl	2160129	IQQKYIWEIPTTBW-UHFFFAOYSA-N	462.771	6.398	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(Cl)c4)N=C3C)o2)cc1	6599946	STLPETGMYFUPRX-CPNJWEJPSA-N	469.324	6.236	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCCOc3ccc(C(C)(C)C)cc3)C(=O)N=C2S1	8453070	KMCFRAAVCJOLBQ-IBHSQKHJSA-N	490.629	5.717	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)=C\c1ccccc1	8763487	BFAPLMHDIVLRJH-SDEVTQOVSA-N	490.572	6.272	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9235121	RCBSKFGSQDRGLD-SDHOMARFSA-N	453.925	5.362	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	9424489	DRXJQUOAHOLMIG-JAIQZWGSSA-N	487.865	5.433	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16000443	XPDSVOATPDVUNT-KKUQBAQOSA-N	451.497	5.157	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2)cc1	27549283	UQQKCAYNSSVANA-SUJAKXCHSA-N	496.592	5.315	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12	41083620	VQCLOMZAGAHLKW-HIHWOFHQSA-N	495.988	6.669	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	58848035	BMGKVELUNLZUAI-QHWMMSMNSA-N	495.044	6.674	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1OC	59484783	JUYXLPCZKZGCSI-JJIBRWJFSA-N	492.531	5.749	10	40	JKCB	
COc1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c2ccccc12	96115520	KGMCBRZIYLYNOT-GOSISDBHSA-N	496.471	5.180	10	40	JKCB	biogenic
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl	103919882	DXULDMZKBQMTPN-ODLFYWEKSA-N	475.357	5.255	10	40	JKCB	
Cc1ccc(NC(=O)c2cc3cc(/N=N\c4ccc(Br)cc4)ccc3oc2=O)cc1	104282120	RLHKHHIVHCWZLE-RQZHXJHFSA-N	462.303	6.532	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223344227	KPMVSVBZXHTWTO-IZZNHLLZSA-N	456.615	5.817	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224234263	HNVNEDJQGBFQSV-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(O)cc1	224401077	ZQNXOYMDFHQGDF-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224837674	AHJTYYWIDXDJBQ-NSOVKSMOSA-N	498.652	5.992	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1Br	408605645	YMDDCXDENCCNTE-XKZIYDEJSA-N	498.467	7.043	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1OC	408751682	BNKRIFVQCBLZDS-UDWIEESQSA-N	490.943	6.354	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1	408760789	GAWNCIIELZEWHF-UDWIEESQSA-N	455.714	6.076	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C1=O	408808741	FXCJQJCHLIDIMR-XDHOZWIPSA-N	499.325	5.686	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1	408983824	DCKAZLYLOYMFHA-RCCKNPSSSA-N	459.929	5.997	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(Cl)c(OC(C)C)c(OC)c2)C(=O)N(c2ccccc2)C1=S	409021718	UWLKFGPIMODPDY-LDADJPATSA-N	472.994	5.090	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(=O)N(c2ccccc2)C1=S	409023553	GUSCDIIXSBWVGB-KOEQRZSOSA-N	471.626	5.665	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409187656	AJVZTWYPCXNRIN-YBFXNURJSA-N	477.800	7.295	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)cc1Cl	409329609	GEDQZDBMTCJURX-YBFXNURJSA-N	455.944	5.700	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC	409338691	OMFHPUAYVPWZQJ-JWGURIENSA-N	457.617	6.069	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409369620	RWMJOANVXQVNMX-NVMNQCDNSA-N	496.441	5.966	10	40	JKCB	
COc1cccc(C(=O)N2CCCCCCN(Cc3cccc(F)c3O)Cc3ccccc32)c1	643563335	QUOGQKPQFHDURW-UHFFFAOYSA-N	462.565	5.763	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)ccc1OCc1cccc(F)c1	1160580	AUJVGAKMDJTVQG-RGVLZGJSSA-N	494.906	5.882	10	40	JKCB	
CCOc1c(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cccc1OC	1416322	WQWHCJREFBAAEQ-LFIBNONCSA-N	450.379	5.262	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c2c3c(sc2n1)CCCC3	1746325	OFRARKKSEHWKEW-UHFFFAOYSA-N	465.619	6.400	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1ccc(F)cc1	1816109	WGVRSOQZOKDYNN-LFVJCYFKSA-N	467.500	5.374	10	40	JKCB	
CCOC(=O)[C@@H]1CCCN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C1	2304096	PVFZHCFDACYYOA-QGZVFWFLSA-N	467.525	5.562	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(O)=NC2=S)cc1	2450496	PBHCRFVAIDZMMV-PCLIKHOPSA-N	479.605	6.485	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	6444758	OAFNLWWUNWOWLQ-YXYSEUPNSA-N	490.397	5.642	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc2ccccc2c1	8820163	PUHZDOPOERRXDI-KQWNVCNZSA-N	495.069	6.894	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1	8821401	NFTWKUWJKCHKMT-KGENOOAVSA-N	455.988	6.053	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	9466074	PHCZCHXOXGVPNR-UCQKPKSFSA-N	478.017	5.702	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCn2cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c3ccccc32)cc1	9678838	JABYGBBEXBTTIJ-DLDRILFISA-N	484.625	6.401	10	40	JKCB	
Brc1ccc(-c2nonc2/N=N/c2nonc2-c2ccc(Br)cc2)cc1	13633612	DPVUFKHDCGHGBY-FMQUCBEESA-N	476.088	5.727	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)S2)cc1	16161871	IGKBVJIDPZFWHM-MFUBYVTQSA-N	482.447	6.019	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccccc2C(F)(F)F)C1=O	32709480	DRFPALOXXHHPMF-MJOZVEEZSA-N	490.572	6.272	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1cccc(OC)c1	33430238	NGUSDVUWJVNJSY-MOSHPQCFSA-N	494.034	5.426	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	41076280	LJNXXAWONOUPEK-PZBQCAARSA-N	472.473	5.765	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O	41108829	GMHAEMJNAKAGIL-ODHYRZOZSA-N	462.509	5.603	10	40	JKCB	
CC1CCN(C(=O)C2=CN(c3cccc(Br)c3)c3cc(Cl)ccc3S2(=O)=O)CC1	49003992	PJUOCIWDSGKAAP-UHFFFAOYSA-N	495.826	5.128	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847287	NQBWGTKOYACXCU-WZOHSFFVSA-N	495.000	5.754	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418240	JLXPEINYTQETTK-FYJGNVAPSA-N	466.515	5.719	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224234869	YQFWUKNNFQAKHB-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	260916556	JKLSMOBABVVYPL-RPBOFIJWSA-N	490.076	5.934	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1Br	408601511	KIUNONRQKOZBMS-NVMNQCDNSA-N	466.397	6.029	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)ccc1OC	408726707	VDYXMCLIKARLKW-UHFFFAOYSA-N	470.525	5.294	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2F)N1c1cccc(Br)c1	408760622	BXBFPBKIEYLZMC-BUVRLJJBSA-N	471.329	6.576	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1	408762665	LSLVAXFYJVYDPF-HYARGMPZSA-N	480.793	6.003	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Cl)c1	408800911	RXGCINJEWXSFJB-YBFXNURJSA-N	467.308	5.239	10	40	JKCB	
O=C(O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)cc1	408970024	YUUYOFDIBNMIRO-STZFKDTASA-N	466.415	5.312	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408995320	MCUCACNYTSOHTE-XDHOZWIPSA-N	483.807	7.696	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409184967	ZMRMHOSHPRPADM-VCHYOVAHSA-N	460.895	6.053	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c1C	409231837	MTFZILKZQXJVTI-FSJBWODESA-N	477.561	5.525	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S	409333466	TYCJDIHNRPQWHL-YBFXNURJSA-N	471.943	5.713	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)o1	409340113	QPAOFVDADKHQRB-BKUYFWCQSA-N	464.568	5.425	10	40	JKCB	
COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1OC	939996	WGKTXCWFDRYGOL-UHFFFAOYSA-N	463.452	5.188	10	40	JKCB	biogenic
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1	2856402	KOPWUPQAACLIMO-YVLHZVERSA-N	464.406	5.176	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1COc1ccc(Cl)cc1Cl	3210488	XHCOCVXPISLKLM-OCKHKDLRSA-N	468.427	6.191	10	40	JKCB	
CCN(CC)Cc1cc(/N=N/c2ccc3c(c2)c2ccccc2n3CC)c2ccccc2c1O	5390018	RQSNAHRJONXCMV-NVQSTNCTSA-N	450.586	7.930	10	40	JKCB	
CC[C@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1	8766769	CEIGJHMFFLPSKB-RPNTZMPASA-N	461.518	5.176	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	8818274	LGRHKBXXNMFUFW-ZJRBDENDSA-N	471.586	5.448	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1	8819866	GUPSVXRFQLPXAJ-ULJHMMPZSA-N	490.650	6.249	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	8820047	JCMJFSCGORUMLZ-KQWNVCNZSA-N	496.654	5.226	10	40	JKCB	
O=C1/C(=C\c2ccccc2I)SC(=S)N1c1cccc(C(F)(F)F)c1	9310682	ZIACDGHJYWGVMI-RIYZIHGNSA-N	491.297	5.716	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	9846952	WUMFOPQYBJMGRT-HMAPJEAMSA-N	458.470	5.036	10	40	JKCB	
COc1ccc2c(C)cc(S[C@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nc2c1	12546756	IFCUIORKGINIGK-GOSISDBHSA-N	496.579	6.924	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	31948658	KXCAOPPIBCNCOL-RUYQORCYSA-N	464.616	6.410	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1	32109457	ISVZGSPLSYPWAH-NSNCLKJASA-N	494.598	5.175	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1C1CCCC1	33305850	KYARCGBHCLQTBP-HMMYKYKNSA-N	461.493	5.104	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N=C2SC(COc3ccccc3)=NN12	41076717	VUJRNGUXBXCMMU-YFKFQLHKSA-N	495.486	5.194	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1	41108018	VEYRWHSCJSQVRN-HMCBYUHISA-N	489.988	5.424	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1	58846709	CASUEDUXNXPBDO-UZINWLIJSA-N	498.570	6.950	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c(OC)c1	58849226	GGNVEGDBNAZMDH-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484772	PRCPNHBJBHLVIQ-JJIBRWJFSA-N	477.476	5.640	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(Br)c3)C(=N)N12	103563460	RACCMLBUXICREP-RQUXIJKASA-N	498.402	5.382	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc([N+](=O)[O-])ccc2OC)c1C	222972142	MMJIWBNTCKUAMU-BJKOFHAPSA-N	479.606	5.179	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223347408	FTPVXMKPJNTBRV-JWQCQUIFSA-N	458.587	5.263	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224164768	ZSPHXUOGYRTAOK-SXOMAYOGSA-N	452.627	6.229	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371178	AGUZVAUXVBJKOZ-XZWHSSHBSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1	225042478	YIJOGGYPXLUWRG-WUFINQPMSA-N	481.669	5.964	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	408576523	VSBQCTRINQGKCV-JLPGSUDCSA-N	488.634	5.981	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1	408802838	IBSUEHDKVXVCAY-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1	408823040	DFEFMEACNLKNGH-CIAFOILYSA-N	497.334	5.247	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)c(Br)cc1OCc1ccc(F)cc1	408851656	LRVQTRNOWZUCTM-CAOOACKPSA-N	468.369	5.055	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1	408900165	RURZHYBNBUVIQL-KQWNVCNZSA-N	490.943	5.374	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2Cl)cc1	409081598	QDRQKDINIGWPOP-ITYLOYPMSA-N	478.979	7.062	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(CC(C)C)C3=O)c2C)cc(C)c1Br	409133445	UDFWZFOTQGJILG-GRSHGNNSSA-N	461.425	6.166	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cn(Cc3ccccc3)c12	409139764	BXIGXRWZXVHPML-ITYLOYPMSA-N	482.674	6.696	10	40	JKCB	
CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)c3ccccc32)CC1	409140160	FHFBQGVUHOPZJH-JLPGSUDCSA-N	495.714	5.681	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21	409170614	WOSHXKOPXVWZRP-YPCDYVTLSA-N	451.557	8.133	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)cc2)cc1	409345108	JVWSRTWMKYFJRB-UQQQWYQISA-N	497.597	6.473	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)cc1C	409345306	KZAUYVLMSLHRRH-UUYOSTAYSA-N	486.584	7.136	10	40	JKCB	
CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409347468	MIUWGNMLRMAGAB-PXNMLYILSA-N	467.797	5.467	10	40	JKCB	
CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2	2083706	GZVZKYAMEZKVQF-VWLOTQADSA-N	477.678	6.950	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c2c3c(sc2n1)CCC3	8432826	XKVGMEXQDYCOMU-UHFFFAOYSA-N	468.047	6.524	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	8454102	NBHKLQPTGBSLCF-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1	9262211	SORNLOHJNWNQCK-QNGOZBTKSA-N	486.398	8.342	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(C)c(C)c5)c4C)C(=O)N=C3S2)c1	9291937	OTOHPMJZTVULPL-ORNHTSQXSA-N	497.624	5.718	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5ccc(Cl)cc5)c(C)c34)CC2)cc1	9434281	OEYMMGVYVZFKMB-UHFFFAOYSA-N	494.020	5.241	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C)c(C)c4)c3)C(=O)N=C2S1	15240767	OINIXFOQAFGLNG-VHDUERLVSA-N	462.575	5.181	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCc3ccccc32)cc1	16914312	JMOAZJMLRBYTSD-XMMPIXPASA-N	464.407	5.049	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1Cl	33904771	FNPVIDDWIMSBBD-SDYPZFMASA-N	491.979	5.863	10	40	JKCB	
COc1cccc([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	35843343	VCOGBTMTISMTDJ-TWJOJJKGSA-N	483.951	5.371	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1	95547695	NEJGFAQPDFTSAM-MYYYXRDXSA-N	470.573	5.057	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208315529	WVGMAXINHUCFID-WMRWHDLOSA-N	482.049	5.592	10	40	JKCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223649324	GYQOLFUOSGRDHT-KAYWLYCHSA-N	484.625	5.178	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224867988	KTIVIOJEBXTLOC-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1-c1ccccc1	224885589	GTFQCAVSWSFXFX-RPWUZVMVSA-N	460.990	5.717	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1F	224898614	KMCSOFTYFLCBCV-FTJBHMTQSA-N	474.580	6.253	10	40	JKCB	
Cc1cc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccc(N(C)C)cc1	408632617	FSWZYROVDUZSQU-HYARGMPZSA-N	494.020	5.816	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	408760982	BJHRPXXKWKYCLT-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408877446	VXYGISJHUAVUPR-MTDXEUNCSA-N	474.560	6.022	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccccc2Cl)c1	408886177	IQVIXABMFJPTOU-RGVLZGJSSA-N	497.334	5.247	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12	408901389	DUVKHGIVWJBDHN-LFVJCYFKSA-N	484.397	6.567	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C	408901973	JLMXFGGLYAGVLT-RDRPBHBLSA-N	479.555	6.618	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1	408967180	QHOSNGQVASBRLU-GIJQJNRQSA-N	488.371	5.371	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c(C)c1	409037070	SHDXZHOJYHZLNJ-OQLLNIDSSA-N	490.384	5.543	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)c(Cl)c1	409139721	DSRCWJCEEDLFSZ-OEAKJJBVSA-N	489.021	6.501	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O	409243136	YYEUHTUPXCEKPM-KQWNVCNZSA-N	467.500	5.058	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1	991785	KPUSUBAHAKQELB-UHFFFAOYSA-N	490.559	6.426	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	8783182	JVVADJZDSMGGOB-YNYMUITPSA-N	476.617	5.170	10	40	JKCB	biogenic,in-vitro
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1	8820161	MUYCRXOAGDOTSY-RGEXLXHISA-N	490.006	5.649	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9293318	IMUOCISPZOSEPS-UAQPTAFESA-N	491.979	5.863	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	14010091	ATSSLDHVDKMVNY-ONUIUJJFSA-N	484.596	5.987	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	14165947	NURASWRJEGEDBY-RNHFSVANSA-N	476.554	5.021	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1c(C)ccc2nsnc12	20036801	LEKMUUWPEDISSJ-ZROIWOOFSA-N	456.369	5.098	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)o1	32969762	IJUKXPRRSHSMGY-RNDHPAASSA-N	474.473	5.607	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	41083076	RUGCXQILECNDHN-XSBGCYDXSA-N	488.444	6.600	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58848064	QDYZRSJNOCSCKP-CEYNDMKZSA-N	495.988	6.184	10	40	JKCB	
O=c1c2cc(Cl)cc(Cl)c2nc2n1CC/C2=C\c1cc2ccccc2nc1N1CCOCC1	96759170	QKMBQLHLBVZFQS-FOWTUZBSSA-N	479.367	5.032	10	40	JKCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)sc2c1CCCC2	101114112	QGTPVLMQOGOLEF-SFQUDFHCSA-N	488.407	5.285	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1cccc(C)c1	206939267	KMMPBXFBPNXVJD-YVLHZVERSA-N	464.406	5.224	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208243234	PJVUNARFUORNAI-WDDBSPGISA-N	494.875	7.451	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)c(C)c1	208730787	SUHPJCKACOWFFH-JAIQZWGSSA-N	470.959	6.531	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2Cl)cc1	216389717	REOPLIDXLXJPHR-UHFFFAOYSA-N	498.048	5.370	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1C	223349700	XJLKNHHNESSXJV-IZZNHLLZSA-N	456.615	5.872	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1Cl	223619966	XJXGPCCWAPISRZ-YADHBBJMSA-N	475.445	5.151	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	223759823	UZFIPXAQEGDYLS-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223821677	KHVFNRKEWNCAOW-URLMMPGGSA-N	496.680	6.682	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224266256	DKGAFOVPFVCXCC-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405893	RXFAHAHQELVFNF-BJKOFHAPSA-N	457.578	5.509	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224904542	KJPYCYKJFDNWQK-FTJBHMTQSA-N	471.605	5.817	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1	224915424	MGXQHQALTSYDQD-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Nc1cc2nn(-c3ccc(Nc4ccc(Oc5cccc6ccccc56)cc4)cc3)nc2cc1Cl	226306878	FELCJHHMZHSQBU-UHFFFAOYSA-N	477.955	7.345	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2F)N1c1cccc(Br)c1	408761040	GUXYUVOAWMEXSF-UDWIEESQSA-N	466.266	5.331	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1	408778320	DJAWZJBKEIWJLL-LFVJCYFKSA-N	498.007	5.937	10	40	JKCB	
CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O	408868650	NXOYOSXZRHFRTH-BKUYFWCQSA-N	489.435	5.931	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	408879930	HWJMUDDEKWKFLG-UNOMPAQXSA-N	483.376	5.404	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)c1C	408886954	KKEKCCNQRXHTDZ-XDHOZWIPSA-N	478.907	5.341	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc2ccccc2c1	408902017	JWNOGNFFWQTPNE-OVVQPSECSA-N	462.549	6.624	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1	408973250	XWPIUTZYPDZDER-MOSHPQCFSA-N	491.296	6.921	10	40	JKCB	
Cc1cccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)c1C	409006705	KFOBOTPWCIEQOK-UHFFFAOYSA-N	489.575	6.294	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409134030	VJXOIHOODXYOOI-MTJSOVHGSA-N	483.376	5.973	10	40	JKCB	
CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)C1=O	409222250	WJJLNPFVACKNLH-DEDYPNTBSA-N	452.352	5.063	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	409254193	VVCVXFCGMGHCQE-UVTDQMKNSA-N	477.756	5.738	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1	2262125	PNVCIVOCLRJBNJ-HAHDFKILSA-N	488.037	6.594	10	40	JKCB	
Cc1ccc(S(=O)(=O)C(/C=C/c2ccc(N(C)C)cc2)/C=C/c2ccc(N(C)C)cc2)cc1	2504797	BJRCVRAOOWXXBB-ZIOPAAQOSA-N	460.643	5.696	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CN(CC(C)C)CC(C)C)c2ccccc12	4397375	GZXWJYNWRRJDHB-MPFDJKSNSA-N	486.660	5.422	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc(OC)c1OC	8765566	QMDCGQMCZXWAQP-SILNSSARSA-N	495.663	5.509	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1	8821835	XTKSILDHBUTLOC-YBFXNURJSA-N	483.343	5.798	10	40	JKCB	
O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc(N3CCOCC3)cc2)N1	9086880	UOEKUPMTULGVEE-VWLOTQADSA-N	468.582	5.055	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(Br)cc1O	9232322	SSCOJWDEDNODTE-PJQLUOCWSA-N	474.760	5.362	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1Cl	9423991	CJCQTYKWVRWPSL-UCQKPKSFSA-N	483.955	5.876	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)C(=O)N=C3S2)cc1	9553346	SFNKBHCTXHTRCL-BDPOZWGGSA-N	457.534	5.209	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OC)c(OC(=O)c4ccccc4)c3)S2)cc1	9956897	LJACWSKHJYDBSR-JCMHNJIXSA-N	460.511	5.005	10	40	JKCB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1	13388909	NMPCNLTVYJUYKI-XLNZFTOWSA-N	465.506	5.361	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cccc(OC)c1	13943771	AKMOCGWWLIHWOW-UNOMPAQXSA-N	480.007	5.036	10	40	JKCB	
C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Br)c2O)N3)C1	15947454	CKOTZNITJSGSJB-MLXNANBUSA-N	472.202	5.532	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)S2)cc1	35042794	UYCIDNBOPKXQMX-BUVRLJJBSA-N	479.001	6.572	10	40	JKCB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1	59513076	NFAVCBDWNQYOSL-ABBNRAPFSA-N	498.051	5.038	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	223450766	JKLSMOBABVVYPL-JWQCQUIFSA-N	490.076	5.934	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224233874	HGJQXHAYLPZSGY-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	224341469	PUMFWIWPLVHYIA-PQHLKRTFSA-N	494.708	7.099	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225342880	NNPFVMODZXXREF-VMPREFPWSA-N	496.680	6.762	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	408572352	GJRWZILSMULDCM-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(Br)c2)c1	408759159	YZQULBBNVSSSIC-FYJGNVAPSA-N	451.751	6.245	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	408875385	IBDRJWKQZUUGSU-MOSHPQCFSA-N	462.958	5.059	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O	408875582	KHBHENMPLMVNTB-BWAHOGKJSA-N	476.532	5.648	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc12	409012249	PPIKSKIOOPHLNU-RCCKNPSSSA-N	464.974	5.456	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1Cc1ccco1	409149118	XQLPFTPQZXXSCW-JJFYIABZSA-N	482.989	6.477	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409209721	IAJMCTDGPSWXOH-QRVIBDJDSA-N	492.578	5.897	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br	409332923	SUOUHVVNYLYXLE-PXNMLYILSA-N	471.804	5.713	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccccc1F	409338098	DANHJRKAFZAYDD-PCLIKHOPSA-N	471.578	6.964	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O	409338200	FPWNUHGKJIZIFV-DHDCSXOGSA-N	470.797	5.613	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C	409339139	SDWBVVBYPYHWGM-HMAPJEAMSA-N	484.643	5.447	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccc(OC)cc4)C3=O)cc2)cc1	409345681	KAYKJMWNGCHQNP-JCMHNJIXSA-N	477.563	5.329	10	40	JKCB	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O	409360563	AYXHXRRJRILNDZ-WSDLNYQXSA-N	479.989	5.731	10	40	JKCB	
CCN1CCN(Cc2cc(C(C)(C)C)ccc2O)CCOc2ccccc2Oc2ncccc2C1=O	643571583	FHCANEXQSKLZLO-UHFFFAOYSA-N	489.616	5.234	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N(c2ccccc2)C1=S	8399312	MLODVTWNRRFJEB-LTGZKZEYSA-N	483.515	5.450	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1	8454104	STGXSXUEGXSUOR-BXTSTYNKSA-N	472.654	6.920	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(F)c3)C2=O)cc1	8820075	KZNZLQUSOFVTLZ-ZHZULCJRSA-N	486.590	5.013	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820409	FWIOVWAHZDKFSE-MPKIVNMISA-N	450.629	5.271	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Br)cc1	8820431	LNTMJBMJSPODLF-DFBITEFZSA-N	473.417	5.235	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8821443	ZNNDQNSPNKNFDD-GFHWABCWSA-N	470.399	5.954	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(CSc2ccccc2)=NN1c1ccccc1	11617212	SXUAFKDIIBOREE-JJIBRWJFSA-N	481.533	6.433	10	40	JKCB	
Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1ccc(-c2nnc3n2CCCCC3)cc1	12589168	HNGJWFCPXBMNGM-IWIPYMOSSA-N	484.003	6.225	10	40	JKCB	
C[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1	13562232	IGNHWTSTXBGWGL-IBGZPJMESA-N	454.039	5.939	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)cc1C	13799012	NAMVIWBWGQMAMT-WPRPLIHDSA-N	495.604	6.066	10	40	JKCB	
O=C1N=C(N2CCCCC2)S/C1=C(/C=C(\CC(=O)c1ccccc1)c1ccccc1)c1ccccc1	16450674	UFBYIDFBTPBATG-RUHGGLIWSA-N	492.644	6.870	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc2ccccc2c1	17373753	QIQZFFYYMMMZMZ-XSFVSMFZSA-N	452.988	5.723	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(Nc4ccccc4)=NC3=O)cc2Br)cc1	33665579	ZNUJYSRVRDTBAF-HMAPJEAMSA-N	479.399	6.419	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)S2)cc1	35645458	PASDOSZONUJRMP-BUVRLJJBSA-N	495.000	6.409	10	40	JKCB	
COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(Cl)nc1Cl	36360287	YXRREXICTXCACW-UHFFFAOYSA-N	482.371	5.409	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58849189	WSNCPJVQXNUTRE-ANSQWYIGSA-N	490.581	5.411	10	40	JKCB	
CN(C)c1ccc(/N=N\c2ccc3ccc4c(/N=N/c5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1	104209901	KSHFJTGUZJLPPE-FFROBNHHSA-N	496.618	9.547	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224470703	OGZWCLOMDMYZMY-ZEQRLZLVSA-N	474.033	6.023	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C	224569024	CXFLTJGREHQAAU-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1F	224892263	XRWZOBTVUSXQEO-JWQCQUIFSA-N	457.578	5.509	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	260927639	ZIDCAKUADNDIJK-IZZNHLLZSA-N	454.643	5.886	10	40	JKCB	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1	408600297	BHPBRYAPNXFTIP-LGUFXXKBSA-N	484.621	6.231	10	40	JKCB	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1	408737529	CSQJIMURRTXULA-RCCKNPSSSA-N	474.354	6.097	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(OCc2cccc(F)c2)c1	408879374	FWUFZOLJIWPTCS-SRZZPIQSSA-N	494.906	5.042	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1ccccc1Cl	408882479	QCYCAVUNBCWVOY-OEAKJJBVSA-N	488.971	5.613	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409056527	RSYPKEVOVIQALF-HAHDFKILSA-N	460.961	5.933	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1	409159012	PUFWMOKZQNOGMD-GLDPYIMESA-N	498.367	7.141	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC(C)=O	409340195	RZYHZDRROBAXMS-NVMNQCDNSA-N	468.383	5.723	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S	409343789	GNDJBTDVTGHELI-SXGWCWSVSA-N	454.451	5.627	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)cc1	409344286	ISGLJDGOBNMGEG-ONUIUJJFSA-N	483.614	6.833	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C2=O)cc1	1008132	QEFNNASJPORKIG-UUYOSTAYSA-N	479.989	5.731	10	40	JKCB	
Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c2c1C	3360332	RECUXRKWCZRLEA-UHFFFAOYSA-N	473.570	6.292	10	40	JKCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12	6147912	VEPFKZJYJGNFHO-MRXNPFEDSA-N	465.899	6.602	10	40	JKCB	biogenic
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1	8819142	PXUWJSWJYYYPLO-ULJHMMPZSA-N	488.634	5.520	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)c1	8819192	GOFJDKDOTZABGB-MOHJPFBDSA-N	488.634	5.982	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	8821323	BBSNNWBKPLWJEM-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC	8918165	LIEWCSKBSYSDPL-PKTNWEFCSA-N	493.559	5.035	10	40	JKCB	biogenic
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1c(Cl)cccc1Cl	9660031	MQFJSXUQVFOXGW-ZDLGFXPLSA-N	454.400	5.802	10	40	JKCB	
COc1ccc(OCCOc2ccccc2C)c(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	9805313	FYYFRMLOIRKCFA-JLPGSUDCSA-N	495.597	6.006	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1ccc(-c2ccccc2)cc1	13786025	KAPPXOMFUXQHDL-ONUIUJJFSA-N	495.966	6.921	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1	13800416	VICURSNBBMXJDJ-HMMYKYKNSA-N	468.896	6.980	10	40	JKCB	
O=C(c1ccc2c(c1)Oc1c(Cl)cc(Cl)c3c1N2CCC3)N1CCCc2ccccc21	15079587	HPGKASVOCAJNEQ-UHFFFAOYSA-N	451.353	6.776	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)cc(Br)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16949057	FXPJBGYLEPMTQL-MLPAPPSSSA-N	471.741	5.122	10	40	JKCB	
CCCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1	20035298	GULBCMFFTKYCJH-RGEXLXHISA-N	490.478	5.399	10	40	JKCB	
Cc1ccc(-c2nc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)n(-c3ccccc3)n2)cc1	27562398	RCOJUBTZDIJTHG-LTGZKZEYSA-N	460.628	5.777	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccccc1Cl	33390858	LIHPVZNNWZIKDA-ZHZULCJRSA-N	464.008	5.418	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1	34387775	CBZONFMNGHVSHM-JRUOFFEZSA-N	487.560	5.299	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1C1CCCCC1	40006326	QRSJFNOYOWFTNI-MTJSOVHGSA-N	478.466	7.106	10	40	JKCB	
Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1	107635517	FHJPFWJBBHWFAQ-UCQKPKSFSA-N	493.426	6.727	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	222970786	MHEOCBQFWQIKIK-RPWUZVMVSA-N	479.606	5.179	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Cl	223309235	HZHLDSUFUYBNFI-NWVWQQAFSA-N	467.038	5.294	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223405421	BZGRMTICVFRVHK-RRPNLBNLSA-N	496.636	5.448	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223972684	BJKSACSSHNJRGP-WUFINQPMSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C	224271933	RDUBURRFEATMTQ-IZLXSDGUSA-N	496.636	6.012	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)nc1	224406043	MAZFXDQFXATWER-RPBOFIJWSA-N	457.578	5.509	10	40	JKCB	
CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408604092	SJEYECGALIFTKV-UFWORHAWSA-N	492.416	5.618	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409054190	HYWVMAFWTZMRMP-JLPGSUDCSA-N	470.569	5.597	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409059918	YUXRVHVERKSTCE-MPGAHLTBSA-N	458.533	5.667	10	40	JKCB	
Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c2ccccc21	409098977	NCBAJXIWMZPQGK-OEAKJJBVSA-N	487.581	5.976	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409102565	YQTNEVFBEFUULE-QQXSKIMKSA-N	467.956	6.512	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)c(Cl)c1	409140224	GPCMCULBJQKHEE-OQLLNIDSSA-N	456.898	5.213	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409196170	ZHTSJBHQXQWQEF-UDWIEESQSA-N	451.935	5.087	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC	409338827	BSLMIMRBYXVCRA-BOPFTXTBSA-N	464.406	5.571	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409350361	XYYGZLFPBJQYJN-PXLXIMEGSA-N	464.568	6.333	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	640718	ZHRVLUNNTMVUPV-UDWIEESQSA-N	483.351	5.433	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)N(c3ccccc3)C2=S)cc1C	1021282	UWCZVBMCKBFONO-JJIBRWJFSA-N	455.583	5.118	10	40	JKCB	
C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1	1340024	STQKMJWDAHDDCF-FQEVSTJZSA-N	492.088	7.164	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1c1ccc(F)cc1	2234408	HOJZPRLMOMWOHW-KGENOOAVSA-N	491.975	5.713	10	40	JKCB	
COc1ccc(C2=C(/C=C3/SC(=S)NC3=O)[C@H](c3ccccc3)c3ccccc3O2)cc1OC	2269973	SQRVYQAWBZXHPY-CRYHJCRISA-N	487.602	5.671	10	40	JKCB	
COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	2454372	LLHHOLOFRVTWOU-JCYYIGJDSA-N	493.559	5.035	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCCOc1ccccc1	2847775	JTRBDMNTLVERQL-AQTBWJFISA-N	494.432	5.137	10	40	JKCB	
CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccc(Cl)cc1	3363723	LYGXMFTWLOFKCT-UHFFFAOYSA-N	450.995	6.001	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	8922452	CXBRMDHLKHGFHR-SQYHTCOISA-N	488.491	5.407	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	9292081	JSTMGVLMMUFPJE-YMTOHSTDSA-N	487.673	6.691	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1	13713014	LYWACHCORMDMKZ-ZHZULCJRSA-N	451.642	5.872	10	40	JKCB	
Cc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1	13799629	CPJVIBLOJZOUQL-FBJHWAPASA-N	495.604	6.147	10	40	JKCB	
COc1cc(OC)c(/C=C2/SC(Nc3cccc(Cl)c3C)=NC2=O)cc1Br	33321658	VGQNRYOWBFNQOF-CAOOACKPSA-N	467.772	5.511	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1Cl	33540756	PXLOCQVYXYZISX-VOECXEDKSA-N	455.971	5.031	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1	59135875	RPSXEAFJSBFFSU-XSFVSMFZSA-N	491.544	5.082	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)o1	208717449	CIUXBXWTOZGIBK-UCQKPKSFSA-N	488.546	6.422	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc21	223494383	NOJDDSUGKBTBSH-OYKKKHCWSA-N	489.641	6.080	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	223519162	YRTOTXLGSQXPIB-CFRMEGHHSA-N	464.606	6.781	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223723277	ISBZWGVEFAYPIW-BJKOFHAPSA-N	483.037	5.068	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224201761	HZFNOCOFZZDPRP-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1O	224368869	HZFWMMLVANQLQK-WUFINQPMSA-N	482.653	6.495	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2	224403753	LHNGYHBAMHRDGA-IZZNHLLZSA-N	486.572	5.534	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)S2)cc1	408783483	PQCIOOKDRURTKS-KLKBWYFJSA-N	475.614	5.351	10	40	JKCB	
CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OCC	408850329	LMTLHMSJZTXAPR-XYOKQWHBSA-N	499.803	5.276	10	40	JKCB	
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Oc2ccccc2)cc1	408947059	NNYPGPWCMBZPMA-UHFFFAOYSA-N	462.343	6.716	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)c(C)c1	409133778	RTSDIZNVYFDGNN-PDGQHHTCSA-N	495.398	5.466	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1	409141540	ACCGBKPAFBAYLS-JOCHJYFZSA-N	489.996	6.169	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\NC(=S)N(c4ccccc4)C3=O)c2C)cc(C)c1Br	409142665	LHRWYCICDNIOKX-BKUYFWCQSA-N	480.431	5.736	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C	409142943	MCKOKLLQMMSJIE-BUVRLJJBSA-N	481.017	6.425	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc(Cl)c1	409145282	NUBUQLPRBNLBQA-QHCPKHFHSA-N	499.057	5.684	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1	409169957	RZDJAMFFGPDRBL-JAIQZWGSSA-N	496.928	5.282	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc(Br)c1	409201891	QXGFOOMJFNVXSE-AUWJEWJLSA-N	455.742	5.417	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl	409328664	ZPQIQXXSTBWIGL-CIAFOILYSA-N	483.998	6.409	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2O)cc1Cl	1275140	RKKXHKPFCRGFTH-LPYMAVHISA-N	469.928	5.522	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3ccc(C(=O)c4ccccc4)cc3)c2C1	2512861	NFDLXUICYRASBL-UHFFFAOYSA-N	498.420	7.293	10	40	JKCB	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(O)=NC2=S)c1	9016064	KHPKUGLLXMSVKA-NDENLUEZSA-N	495.988	5.436	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1	9293662	CVNGXNYBDFCJJB-IOPUFQEFSA-N	477.634	6.001	10	40	JKCB	
COC(=O)c1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCN(c3ccccc3)CC2)cc1	13149336	PQHOXZZEFWYOEB-NDEPHWFRSA-N	452.554	5.244	10	40	JKCB	
COc1ccc(N2CCN(c3cc(-c4ccccc4)nc4cc(-c5ccc(C)cc5)nn34)CC2)cc1	13562696	YVRWUYKDJGNQHJ-UHFFFAOYSA-N	475.596	5.707	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12	20239087	QKVDKVZHLKRVIC-GQHYPKHLSA-N	497.576	7.027	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(O)=NC(=S)N1c1ccccc1F	59135841	LNNNKOUOUJHXSH-GXDHUFHOSA-N	471.853	5.319	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(C(C)C)cc1	59135935	CRWRXXAOECKKAY-KGENOOAVSA-N	461.562	6.028	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1	59435726	KSCCRBCOBHCSFN-DHDCSXOGSA-N	467.146	5.633	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422599	IQXDQNKQLRLRQO-FBHDLOMBSA-N	482.602	5.535	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	113833991	MYEJVSNMEZZWNZ-HYARGMPZSA-N	484.599	5.716	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	208731792	SIZKPQMZCDZHRH-ZDLGFXPLSA-N	487.902	5.822	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c(OCc2ccccc2)c1	214625055	OZPAOWLCMCQFFZ-WPWMEQJKSA-N	486.637	6.657	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1C	223229961	ANGFEAGQERROOM-CLJLJLNGSA-N	461.679	5.030	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(F)c1	223535535	SHWPSCRREMLVPN-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223727353	RJXQWXFZBCZUFG-DQEYMECFSA-N	497.064	5.377	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224164867	ZSPHXUOGYRTAOK-SVBPBHIXSA-N	452.627	6.229	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224609594	BFDLIHBOOMKFNR-RPBOFIJWSA-N	455.587	5.075	10	40	JKCB	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408643136	OWFMSXYMNSEKKE-NZQKXSOJSA-N	450.538	6.180	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408872396	MNJVVNVGDJRAJT-YDZHTSKRSA-N	488.971	5.531	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1	408903349	RICWGJLYUYCOSK-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1O[C@@H](C)CC	408904919	QJGJCTRJYSYWHU-UZUMKDMXSA-N	457.368	5.831	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1C	408983411	BOUJKCGAXFWDGQ-CPNJWEJPSA-N	464.348	6.560	10	40	JKCB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408996939	CCABBQJJIWAWDN-LZMNAAGSSA-N	490.607	7.013	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409020244	NAVRPIHCJOAXHU-PXLXIMEGSA-N	478.017	5.620	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1	409130529	HYHDHGDYLLJBPP-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(=O)NC1=S	409246836	FDSMEFWYFXYZRL-WOJGMQOQSA-N	484.408	5.541	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(=O)O)c3)C2=O)cc1Br	409332363	DORHDHOTYACBPM-DEDYPNTBSA-N	490.353	6.017	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O	409352094	WCOUHWLOOGBHAM-WOJGMQOQSA-N	480.474	6.366	10	40	JKCB	
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	409367890	JBFWHCAJIZXSQU-SGEFVQMOSA-N	496.441	6.109	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1-c1cccc(C(F)(F)F)c1	3347833	UFZMJTIYXFAREM-UHFFFAOYSA-N	470.241	5.508	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C(O)=NC2=S)cc1	8741414	STFBUSVLPOMWNS-HZHRSRAPSA-N	487.581	5.115	10	40	JKCB	
Cc1ccc2c(c1)N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1	8918026	HVPZVBCCFCMKRP-OIFRRMEBSA-N	495.578	6.311	10	40	JKCB	biogenic
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N=C3O)c2-c2ccccc2)cc1	8997320	XFGDBKFRBWWPRV-UHFFFAOYSA-N	493.588	5.965	10	40	JKCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(Oc3ccccc3)cc2)C1=O	9188823	LGGVJLIVRJNPTR-UCQKPKSFSA-N	479.579	5.911	10	40	JKCB	
O=C1/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1	9296462	CRXVROHFUKJZHJ-KGENOOAVSA-N	454.041	6.893	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OC(=O)c1ccccc1Cl	13071124	TVPAMKLWQJNILC-HMAPJEAMSA-N	478.957	5.959	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccccc1	13882352	PCNVNGBTZFKHFZ-UNOMPAQXSA-N	456.386	6.111	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(OCC(C)C)c4)ccc3o2)cc1	22564460	TWMAKWORFMDHRL-UHFFFAOYSA-N	457.574	6.628	10	40	JKCB	
COc1ccc(/C=C2/SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1OC	33457336	PUAGBDQLGKMIBQ-LHLOQNFPSA-N	499.636	5.081	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	34792989	HFWWKBHMUWSZLF-SMTYPRMSSA-N	457.559	5.478	10	40	JKCB	
Cc1c(Cl)cccc1NC1=NC(=O)/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)S1	34869483	XAWZZVBNYWOXKM-JJFYIABZSA-N	491.956	6.025	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(O)=NC(=S)N1c1ccccc1F	59135843	UPGVCLHGFGYSEO-CPNJWEJPSA-N	450.466	5.215	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1Br	100511007	UWUPNYZRZUZXBG-IUBFCHALSA-N	454.353	5.756	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1Br	106736650	NNNMSXBIUDICGQ-FXBPXSCXSA-N	495.782	5.134	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	223254925	CTSKIAPQVNVTTD-PKTZIBPZSA-N	487.595	5.042	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc21	223509918	KLVMRXVNNAZCAS-ZVHZXABRSA-N	471.601	5.689	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1	223857875	AZBOSAVYJFFCLQ-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224335756	KRBQTUGRRRXUKN-RRPNLBNLSA-N	487.072	6.882	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405855	RXFAHAHQELVFNF-RPWUZVMVSA-N	457.578	5.509	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224602068	HWPBHEMMAHJFFZ-RRPNLBNLSA-N	468.626	5.934	10	40	JKCB	
CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	408585311	DDHJIJATFBDINW-UHFFFAOYSA-N	450.343	5.424	10	40	JKCB	
Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(-c2ccccc2)cc1	408733841	AYMCXMYBSNIDDW-UHFFFAOYSA-N	451.595	7.017	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)c1C	408812636	PEOMOBTYIRYRFE-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
CCCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408865282	CTEGAQMZBVJAEX-UHFFFAOYSA-N	460.917	5.712	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2c(Cc3ccccc3F)ccc3ccccc23)C1=O	408884072	WPSRXJOXCBOODI-XQNSMLJCSA-N	498.941	6.198	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1	408987023	UQMXAGHVDSMXBT-CJLVFECKSA-N	492.487	6.113	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C	408998537	REYZVKOMBIHQPO-YBFXNURJSA-N	473.791	6.315	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409021443	HVHZVKHCMUKUQV-LGJNPRDNSA-N	474.670	7.007	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409188563	DHJFGSRGXRXCSO-KEBDBYFISA-N	477.800	7.295	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	409229125	KCJGBEZGGKLXPI-YDZHTSKRSA-N	492.044	6.011	10	40	JKCB	
CC(C)n1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21	409338905	QNZUXCWBARECNE-YBFXNURJSA-N	455.992	5.422	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(OC)cc4)cc3)SC2=S)cc1	409339489	IZBFRWLQEWZWHD-XQNSMLJCSA-N	491.590	5.719	10	40	JKCB	
CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409369143	FAGDCBQHCGDJGE-RQZCQDPDSA-N	466.415	6.055	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1	1407208	OEMQFZCCNDTXAZ-UHFFFAOYSA-N	478.577	5.237	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1	2219793	BREAUOGVGZBHEZ-XUANBZSPSA-N	469.585	6.731	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c(C)c1	2595297	KFMUHZREBIVZQK-JLPGSUDCSA-N	497.551	5.823	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	2754670	FDJLMPBQEBOIHT-ROUUACIJSA-N	461.624	5.750	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1	8438829	GQFASORONNPHLT-BKUYFWCQSA-N	466.946	5.775	10	40	JKCB	
CCN(CC)c1ccc2c(c1)OC1=N[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)C1=C2	8741088	WCXWYPYIFKPRLL-VWLOTQADSA-N	499.412	6.537	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1	9232602	QUFSPHWCNZTRNV-OEAKJJBVSA-N	499.032	6.530	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9274074	NYGCYTJAFCVCAM-MDSNLERGSA-N	495.395	5.463	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccc(Br)cc1	12624971	ZHNNMTNMGYPJKA-UHFFFAOYSA-N	498.471	6.325	10	40	JKCB	
Cc1c(-c2nnc(CSc3ncc(-c4ccccc4)n3C[C@H]3CCCO3)o2)oc2ccccc12	12813260	CASMZNBYKKCHNX-LJQANCHMSA-N	472.570	6.126	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1cccc(F)c1	14132852	LBWKLOIDILPDSE-YBFXNURJSA-N	494.906	5.042	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCN(c3ccccc3)CC2)cc1	17112858	GSLYEMVSCFRNAF-GDLZYMKVSA-N	484.688	5.343	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCSc2ccc(Cl)cc2)cc1	20288611	QSVBWPBSUGZTIE-ULJHMMPZSA-N	496.007	5.895	10	40	JKCB	
CCCCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1	22419204	NXFQMCVXPUIIKT-GDLZYMKVSA-N	486.660	5.853	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	26771388	FGEQKSRLJGSOMP-PDGQHHTCSA-N	480.533	5.334	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)c2)c1	33600797	NCTXPFBNIHLAQY-HMAPJEAMSA-N	477.973	5.748	10	40	JKCB	
C[C@H]1C/C(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2nc3ccccc3c(C(=O)O)c2C1	33794677	NGOSHZCUWMINTE-STZPCZCHSA-N	457.530	5.954	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	33924949	IKHUMRPCDIQSBL-KDWNYNHASA-N	468.586	5.280	10	40	JKCB	
COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	58866044	QLSVEIFQUMBTAS-UHFFFAOYSA-N	463.313	5.335	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)SC1=S	113830944	OUAQIJSIGRAHEC-VXLYETTFSA-N	468.427	6.192	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S)c1ccccc1	206886937	PVOUTBFRGJVQBX-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223005172	DCAFQCCLBKYVIZ-FTJBHMTQSA-N	456.615	5.261	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2[C@@H](C)CC1(C)C	223536743	UWSNMIFTTHPDDC-BGARDKSCSA-N	486.399	5.772	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	224200485	NRUGDCWPRVVMSI-LOYHVIPDSA-N	488.660	7.128	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(Br)c(C)c1	408526150	AMVGCNPMOFYSFC-YBEGLDIGSA-N	477.200	5.855	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1	408578587	ZBBHRDOUYSTWTN-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3OC)C2=O)cc1	408763744	QNGJLMDEKRQRKS-AQTBWJFISA-N	452.337	6.482	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OCC	408811078	KZIJZEVWAIDUAW-CXUHLZMHSA-N	477.344	5.156	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(OC)cc3)C2=O)cc1	408839977	BXTYAWCEWGBPGJ-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Cc4ccccc4F)c(OC)c3)C2=O)cc1	408865885	CKUUHGRRTUUWQC-CIAFOILYSA-N	492.934	5.307	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(OCc2cc(C)cc(C)c2)c1	408890408	SOFDXDJHVWGWPE-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2=O)cc1OC	408995631	MQEVHJURYNWEEA-DEDYPNTBSA-N	453.325	5.845	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)cc12	524730243	AXTNJCUAEQQRPL-WNCULLNHSA-N	474.645	5.403	10	40	JKCB	biogenic
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	1465560	SWLNWJHPYYUCMX-UHFFFAOYSA-N	457.481	5.064	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1Cl	2260420	LJHSJKAFHWGMDG-HMAPJEAMSA-N	498.073	6.591	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1	8821072	DEZGPUJLBNHTJG-PXLXIMEGSA-N	462.531	5.783	10	40	JKCB	
O=C(COc1ccc(Cl)cc1Cl)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	16450871	LJLCEWPJKQARPC-GUSDSWBTSA-N	450.368	5.356	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1	33581931	MYOLRXOSAIPGFR-RNJGGXIZSA-N	463.607	5.692	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccccc1F	33717338	QOYGSBZQKUANJH-GRSHGNNSSA-N	496.423	5.787	10	40	JKCB	
COc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1Cl	41076255	HVTNMNSBNVFYMJ-MBYGRGGXSA-N	475.961	5.001	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)c(OC)c1	58849214	IFRHRFQKQRRXOY-LZCXECNNSA-N	462.571	5.331	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850212	ILPHLYRSRLZOMZ-ANSQWYIGSA-N	483.008	6.723	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCC(C)C	96193405	CGUMOJXWEQRBBF-ODLFYWEKSA-N	457.368	5.689	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1C	100525080	XHLFTNIUKDLCCN-IUBFCHALSA-N	454.353	5.756	10	40	JKCB	
O=C1/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	113830527	SBPDHOCGSBYMCH-NTUHNPAUSA-N	456.288	5.216	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223367021	SMGRRFXOOZGQDR-LOSJGSFVSA-N	486.597	5.041	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223386733	VTAWPDZSNPUNNF-SVBPBHIXSA-N	468.626	5.670	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542656	XIUDUZSPRKQXPY-UIOOFZCWSA-N	488.060	6.019	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	224337315	XYQCXJUIMCTSDB-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1	224867888	IFNMPECPTSUJAR-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Br)c(Cl)c3)cc2)CC1	225655714	VYAIXVLLWVXOAA-HNNXBMFYSA-N	466.876	6.386	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)cc21	260914619	GVAJPMFYOFXODU-GAZXMLTASA-N	483.081	5.518	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	408888242	XUOMXTWNXDHXCA-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@H]21	409174075	LBCJHNGRKKZDGO-VNBZBWLYSA-N	458.705	6.956	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	409333705	VHXOGLOGJFYWRI-LSCVHKIXSA-N	478.389	5.371	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Br)cc3)c3ccccc23)SC1=S	1219112	YOUAHLIYQYWCKT-MOSHPQCFSA-N	487.444	5.704	10	40	JKCB	
Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccc(Cl)cc2)cc1	1237385	VNJJARMKEXNMBM-UHFFFAOYSA-N	451.935	5.282	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3cnc4sc5ccccc5n4c3=O)n2n1	1403916	HSHJTDYYRHUAKP-UHFFFAOYSA-N	494.605	5.755	10	40	JKCB	
Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(N(C)C)cc2)Nc2ccccc2-3)cc1	2094653	QCNVRUGGDXCLBD-XMMPIXPASA-N	455.587	5.708	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CC[C@@H](C)C3)c1	8430096	NHQJFQWEFFXCIZ-MRXNPFEDSA-N	496.629	5.772	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([C@H](C)CC)cc4)cc3)C(=O)N=C2S1	8453068	ZCUQTIBULDYJQG-FZDNZBMXSA-N	490.629	6.077	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4cc(C(=O)O)ccc4C)C3=O)c2)cc1	8821313	XUXORFVDNUCHFN-QRVIBDJDSA-N	475.591	5.986	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	9273921	JYXUXANITYJCTL-BSMJIXEWSA-N	499.596	5.191	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1cccnc1	9310079	WFNADLMCCGGBBU-HMMYKYKNSA-N	469.338	6.575	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC	9846947	HECDJOBHKVUCPF-MOSHPQCFSA-N	470.363	5.458	10	40	JKCB	
CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	12616616	BBSXKAWCXXOBBW-MRUHUIDDSA-N	482.960	5.276	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)O)cc2)N3)c1	14166007	DEJADAAAWGTQCI-UFPGJGBJSA-N	474.582	5.629	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1	20288265	ISMNZOQLNWPQHO-MOHJPFBDSA-N	455.514	5.009	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	33369875	TXGVFELKWFSWBP-BGFGNXAESA-N	487.560	5.240	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1	58845738	IXYHATAWZSMFKF-ISCCLHIJSA-N	476.598	5.640	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)cc1	59536739	YERDEIPXHQPKOX-MYYYXRDXSA-N	488.609	6.633	10	40	JKCB	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	96006168	CJRHBMSUEZYJPU-IDHHQXPSSA-N	473.581	6.965	10	40	JKCB	
CC(=O)[C@@H](/N=N/c1cccc2c1C(=O)c1cccc(Cl)c1C2=O)C(=O)Nc1ccccc1Cl	104125452	DENOJOSCTNRQOA-PNCZSKEESA-N	480.307	5.449	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223879400	SXOFWCJCCBOXLX-CLJLJLNGSA-N	498.608	5.158	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N(C)C)cc1	224605805	NYGBKXWNLFGVDM-SXOMAYOGSA-N	483.641	5.438	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408762296	DNWPABYDJKGPOI-WOJGMQOQSA-N	461.901	5.557	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)cc1	408763957	HBVISSFGYSKKHI-PYCFMQQDSA-N	458.989	6.666	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1C	408860163	YKCNAKKGFHADJF-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4ccccc4c3)C2=O)cc1	408986998	UHPPHWZIEISQKY-JJIBRWJFSA-N	451.953	7.363	10	40	JKCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21	409130038	NADVKMLRCGPIRT-UZXDDYOISA-N	495.714	5.824	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)SC1=S	409149095	XGNOHORETWEHFB-UCQKPKSFSA-N	485.074	6.621	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	409152818	BUGMZTMHVXEDLH-KYTVRQNUSA-N	452.450	8.421	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)nc1	409251932	REUSJNPASHKEND-RGVLZGJSSA-N	480.977	5.126	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)SC2=S)c1	409349708	QMHADCWBRIZKER-MFKUBSTISA-N	489.065	7.366	10	40	JKCB	
CC(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	585152469	MOQAHRXKZFUEOG-MOSHPQCFSA-N	468.431	6.106	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc23)C1	1871121	KVVYDQNPTWIBKE-CYBMUJFWSA-N	451.872	6.070	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(Cl)c5C)c4C)C(=O)N=C3S2)c1	2439336	FRXSPMDFGJGFJQ-DDSBZIKFSA-N	488.016	6.032	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccc(OC(F)F)cc1	3416775	PHLCMAVQSKNWFI-CYBMUJFWSA-N	464.446	5.093	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC	4136154	KMUGZJZPEHXVIU-CYVLTUHYSA-N	451.610	5.110	10	40	JKCB	
CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1	8820557	TZSACKLHFVXXDZ-XPAFPMRLSA-N	466.628	5.652	10	40	JKCB	
CCCCOC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	8828422	DXEMQAUZGDOVTI-LDADJPATSA-N	465.518	6.068	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1Cc1ccccc1	8927076	PCNVNGBTZFKHFZ-XDHOZWIPSA-N	456.386	6.111	10	40	JKCB	
COC(=O)Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(OCc2ccccc2)cc1)C3	9060624	JPYLQOWEGAZKLW-UHFFFAOYSA-N	485.536	5.061	10	40	JKCB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9237025	IIWYXGHQSGLIAL-CCDWMCETSA-N	483.951	5.337	10	40	JKCB	
O=C(COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(/N=N/c2ccccc2)cc1	12657609	BLMDQVVNEKRRCJ-QNEJGDQOSA-N	495.379	6.935	10	40	JKCB	
Nc1c(/N=N\c2cccc(/C=C/c3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	13403814	CRCOCKHORNPKSY-XWEJBMJPSA-N	469.526	6.131	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(Br)cc1	13810211	APRGYPOHPLUEEI-BOPFTXTBSA-N	471.694	5.869	10	40	JKCB	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN12	15922459	XPBWURPOHQGIJK-BVAGGSTKSA-N	495.793	7.748	10	40	JKCB	
CCCCC1(/N=N/c2ccc(Br)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	33354903	SSJSYMRIBTUJRX-BYYHNAKLSA-N	491.389	6.457	10	40	JKCB	
O=C1N=C(O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1cccc(Br)c1	59198293	GYCRIYKJRBTTKS-HMAPJEAMSA-N	471.310	6.262	10	40	JKCB	
CC1=C(CC(=O)NCCc2ccc(O)c(O)c2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1	101468125	NJLINUQQYUEHIO-JSMCDGHHSA-N	491.584	5.051	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223560090	OBWBQFVTKKTDGQ-FSTGKYBXSA-N	491.657	5.417	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224604790	BFXFGNPFFFOSCI-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
CCc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	408527127	CSWOXGGJYXRWHO-JJIBRWJFSA-N	469.585	5.296	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(F)c1	408778917	MUYCGXQGUVGUSS-FYJGNVAPSA-N	494.906	5.123	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccc(C)cc1	408791480	ZEQVKIWZRDZMDN-CPNJWEJPSA-N	457.442	5.291	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408814805	WGAHQXYNXITJKP-NTEUORMPSA-N	498.160	5.211	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1	408830790	OSMHFDFXWRIRKJ-KOEQRZSOSA-N	470.525	5.029	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1	408839849	AXWKYLCRNXWXIH-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O	408869880	SILSMPRDSXHFTF-MOSHPQCFSA-N	495.362	5.801	10	40	JKCB	
CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1ccccc1OCc1ccccc1Cl	408974425	ZSOPFKDGHJZEJP-STZFKDTASA-N	451.353	6.374	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(Cl)cc1	409193866	GMOBGWHWBOQOCP-OEAKJJBVSA-N	499.057	6.273	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)SC2=S)cc1	409338558	LZCVGBUXSQAQHQ-OVVQPSECSA-N	496.657	6.891	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1	409342183	CPXLEMSEVBXXRR-XDHOZWIPSA-N	454.554	5.983	10	40	JKCB	
CCN(CC)Cc1cc(Nc2cc(C)nc(NC(=N)Nc3cc(Cl)cc(Cl)c3)n2)ccc1O	1597018	SKLOAFPDEKTVMQ-UHFFFAOYSA-N	488.423	5.842	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1	1912444	VLIDOGXQBRDVNN-KQWNVCNZSA-N	475.591	5.848	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1C	8722458	MEAPSGNBNBYULK-OEAKJJBVSA-N	459.571	5.386	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NC1CCCCC1	8820175	CNPANMRAZMKSAP-CYVLTUHYSA-N	451.057	5.551	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	9188506	OIOSPMDDHXGMFS-JLPGSUDCSA-N	461.608	6.379	10	40	JKCB	
O=C(Oc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1)c1ccc([N+](=O)[O-])cc1	10110152	PTXSKXBQLKWVAQ-KGENOOAVSA-N	476.535	5.215	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCCOc3ccc(C)cc3C)SC2=S)cc1	13898886	VJXKQWYONUHPOE-UQQQWYQISA-N	475.635	6.475	10	40	JKCB	
COc1ccc(C2=NN(C(=O)c3cccc(Br)c3)[C@@H](c3ccccc3O)C2)cc1	27904315	TZZWHOPHVMIFJG-OAQYLSRUSA-N	451.320	5.155	10	40	JKCB	
COc1cc(C)ccc1OCCn1cccc1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)C(=O)N=C1O	33330686	CZDUJWHNJARNCI-ZHZULCJRSA-N	493.947	5.353	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccco1	33600682	AVJOGAYBBSNEKY-UDWIEESQSA-N	459.889	5.438	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C(=O)N=C2S1	41074324	PGPZYXBYGLDISJ-JLFKZYKSSA-N	460.950	5.222	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1	58846548	WJORRWJUAOPWCK-JWZKTCGFSA-N	490.625	5.948	10	40	JKCB	
Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	58929185	UITANCGXHSZJNN-MVERNJQCSA-N	494.860	8.125	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	59135634	ZMMNNCGLDZDYET-LDADJPATSA-N	485.298	6.218	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(F)(F)F	222918332	LFTUYVAOLGXIBW-GOTSBHOMSA-N	472.580	6.136	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(Cl)c1	223226199	JZTGXIUWPMQKRU-ZEQRLZLVSA-N	468.070	5.067	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223420453	MVJNYELVYGNEJX-SXOMAYOGSA-N	486.616	5.810	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223552588	OQFUVTKRVAMSRB-REIAIGDLSA-N	465.981	5.507	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224015758	OUITVOTZQSDINK-SVBPBHIXSA-N	498.608	5.404	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224204899	HHDOOVMCFGGYFJ-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224207175	AVFHIEXTCQTIHV-PXJZQJOASA-N	480.681	6.900	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1F	224900386	VXKXDPGXCTZUEY-FTJBHMTQSA-N	472.589	5.819	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020162	PCNKCPFAJLPNFT-LOSJGSFVSA-N	474.630	5.411	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260921185	OUGJGGMCNHRKDD-KAYWLYCHSA-N	484.669	6.289	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C(\Sc3nnc(-c4ccc(Cl)cc4)o3)C(=O)O)c2C)cc1	408635173	XONWFPHCYUGTQG-BKUYFWCQSA-N	465.962	6.324	10	40	JKCB	
Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1	408641108	JSUJYOBJPIAZKP-QFIPXVFZSA-N	450.538	6.241	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408754339	QHNQRKJUFHYAQZ-RCCKNPSSSA-N	489.955	6.005	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1	408765066	JZSOTEYSMWIJTI-HYARGMPZSA-N	475.342	5.379	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2sc3ccccc3c2Cl)cc1	408766221	SRVBYYZEUZRTLD-XSFVSMFZSA-N	473.941	6.606	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)S1	408803460	PEBLHGPXFXRKQI-UHFFFAOYSA-N	474.650	6.472	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1ccccc1F	408867985	KWNDRSNBHOKXEZ-CIAFOILYSA-N	492.934	5.443	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2Cc2ccccc2F)C1=O	408872757	IFOBJAZSMPKWOL-QNGOZBTKSA-N	462.908	5.299	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	408954705	SIAKWFYUOZJTHB-LSHDLFTRSA-N	495.406	6.128	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)NC1=S	409098652	QZZOVCXNMSXPQF-SFQUDFHCSA-N	489.906	5.289	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c3ccccc32)cc1	409236356	FESGZRKNUSYJAR-HZHRSRAPSA-N	465.578	5.138	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O	409237949	YDYWGPZWLPKQCD-HAVVHWLPSA-N	479.536	5.312	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409339194	FMZJMGNKSQWUNB-NDENLUEZSA-N	479.539	5.192	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)SC2=S)c1	409344528	JQFFYDDDLJXMNN-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
O=C1/C(=C/c2cc(Sc3ccccc3)ccc2[N+](=O)[O-])SC(=S)N1c1ccccc1Cl	2093313	IGERMESHMOJQOC-MOSHPQCFSA-N	485.011	6.805	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S	8430933	VVNYEVFVQPJEGW-SDXDJHTJSA-N	450.582	5.392	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(C)Cc3ccccc3)C2=O)cc1OC	8819972	LMTYNXRZSPRJOB-QJOMJCCJSA-N	498.670	5.124	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c1	8821440	BYFRBTPBRJPOPT-RGVLZGJSSA-N	460.407	7.276	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1	9188510	ZLQCZVQUWWAOEO-HMAPJEAMSA-N	452.000	6.633	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	9193104	XATHQEGCIGLHNA-GRLPIDGASA-N	478.430	5.731	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1	9280892	OVWGXHKCOOADAM-CLKGNMONSA-N	459.619	6.074	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1Cl	9477835	NFRQIXLYTKQCLJ-XKZIYDEJSA-N	499.954	5.326	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)o1	16944757	PUGFUVGMYMHQQU-WQRHYEAKSA-N	451.822	5.323	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@@H](N1CCN(Cc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2	19370875	WLPNXKJYBLSZCS-SANMLTNESA-N	464.625	6.654	10	40	JKCB	
Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c23)cc1	19794047	FMQQKOHXSDWFNX-UHFFFAOYSA-N	469.585	5.325	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccccc1Br	33771217	QUZPJRRCLJJQTN-NTEUORMPSA-N	455.196	5.617	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	58846622	HTALRIVLLKYROV-PPJWLVRDSA-N	465.018	6.584	10	40	JKCB	
O=C1/C(=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)C(c2ccccc2)=NN1c1ccccc1	59474888	VDGXNORIDDMNNM-QOMWVZHYSA-N	480.545	5.289	10	40	JKCB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C2=C(N=3)c3ccccc3CC2)cc1	59513075	NFAVCBDWNQYOSL-CSJROMOCSA-N	498.051	5.038	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)ccc1OC(=O)c1ccccc1Cl	97990592	TVPAMKLWQJNILC-HYARGMPZSA-N	478.957	5.959	10	40	JKCB	
O=C1N=C(S)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1	102532889	DNMWTOPCLMLAKC-OEAKJJBVSA-N	487.581	6.158	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223383044	PZPJOQIMBTXXCT-VSGBNLITSA-N	466.654	6.224	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223425829	ZFPZOWAEKKYXLD-URLMMPGGSA-N	496.680	6.287	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O	223607292	FTECESZVVGYTIX-VJNOGQACSA-N	458.624	5.484	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223964362	FSMVCWBRQRARJQ-UIOOFZCWSA-N	482.613	5.020	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224334414	HVOIZGGPEIVWRM-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224462912	QHEYCYQIJAQPBM-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C	224568968	CXFLTJGREHQAAU-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1	225504554	XDTYIGDYYNYGRX-SVBPBHIXSA-N	499.615	5.239	10	40	JKCB	
CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)cc1	408575239	IAJOYUGQHLUWBC-JLPGSUDCSA-N	488.634	5.981	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	408577146	RLIZUDXAZIXAAN-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N([C@H](C)c4ccccc4)C(C)=C3C(=O)OC)c2C)cc1	408777303	YCFUMFSCPLNWDB-TYRKEJLSSA-N	484.596	5.927	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c(C)c1	408986969	UBDLZEICMACZIJ-DEDYPNTBSA-N	464.348	6.560	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	408996311	HLXOMSRQYKRLNR-CQKAXJAZSA-N	496.563	5.138	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	409240374	TUDBBSJQCNOJTP-WFSQQTBHSA-N	463.386	5.310	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(F)cc1	409345964	MVTZIWYMFAPWSL-IWIPYMOSSA-N	494.613	5.885	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1cccc2ccccc12	409348134	RKHBQNAAXYSSCE-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1Cc1ccccc1	409350346	RKSKRQAWHMBWNM-XKZIYDEJSA-N	486.445	6.974	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OCc1ccc(F)cc1	665253	HMHRPJDMBCOYIL-FYJGNVAPSA-N	460.461	5.228	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1	1407189	KWXGHALMHIZWDT-XIEYBQDHSA-N	493.588	5.293	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	2394079	HHZPUKJKZPNIFM-PDGQHHTCSA-N	454.313	5.067	10	40	JKCB	
CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccc2ccccc2c1)c1c(O)ccc2ccccc12	3032944	QFBHUXCMBORVDD-HHHXNRCGSA-N	463.514	7.852	10	40	JKCB	
Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN21	8809363	RAKDZEAXRLIBMZ-DENIHFKCSA-N	455.739	6.050	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821387	QYLKXWOHZXRVHF-HMAPJEAMSA-N	495.025	5.394	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(c2ccccc2)=NN1c1ccccc1	9850756	UJACEYMJJOXAPJ-UQQQWYQISA-N	499.397	7.407	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	13893097	ACEMXNLYCVJJNE-KQWNVCNZSA-N	482.026	6.512	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)SC1=S	16790618	PLUMHKCMBZWPEU-JVZOGPKESA-N	451.613	6.087	10	40	JKCB	
COc1cc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(OC)cc1/N=N/c1ccc(N)nc1N	18251929	GUAWFFBKFCAZJW-PAMTUDGESA-N	491.295	6.309	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1F	40007089	UITAZBLWGJBQJG-BWAHOGKJSA-N	478.523	6.248	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1Cl	58848247	ILJMMDKKLZYLJC-CEYNDMKZSA-N	495.988	6.184	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)c1C	59104858	OTTUDXBDFWTGDB-LPYMAVHISA-N	478.017	6.290	10	40	JKCB	
COc1c(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(C(C)(C)C)cc1C(C)(C)C	100184765	DFGNOPJSZRNWMI-XDHOZWIPSA-N	473.444	7.403	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(=O)O)c1	224401926	GYIQJWQMXWCZCM-DQEYMECFSA-N	486.572	5.504	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	408571865	CYMDJSRQVLHFFV-BKUYFWCQSA-N	470.616	5.021	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3C)SC2=S)cc1	408577102	RHLZNRVIXCFABV-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408639028	DVBOYCDHBUBAAZ-OAQYLSRUSA-N	466.537	6.022	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408742231	VMEUXQOJVSBIEC-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	408787289	WPOLSFPHQSVYQL-JCMHNJIXSA-N	491.012	6.104	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C1=O	408812514	OZQQOAQBDSAHIL-DEDYPNTBSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2F)C1=O	408884370	YULYWTGTIQFKHX-XDHOZWIPSA-N	464.880	5.033	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)C1=O	408884766	VLVMZZJYCVYCRA-HMAPJEAMSA-N	488.971	5.765	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1C	408942187	XXYQOSCIDLDSLK-UUYOSTAYSA-N	495.362	5.856	10	40	JKCB	
COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O	409011019	FJZMEXOCHFSSQL-NBVRZTHBSA-N	485.323	5.279	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409036888	BYMCVEXGACXDEV-XNFYSYIQSA-N	454.395	5.374	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc23)C(=O)NC1=S	409101330	SQSRDQVTHNJZIV-CPNJWEJPSA-N	464.974	5.420	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccc(F)cc3)c12	409127763	JSAXGDSKCFFQGU-SGMQAHBGSA-N	480.630	5.771	10	40	JKCB	
Cc1ccc(/N=N\c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1	409290889	VKROFTSSNDRLLK-WYBJZFMCSA-N	469.544	6.807	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)c1	409333750	VNJFZLJDJYYSRH-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br	409348146	RSNQSMLVVKSKPW-PXNMLYILSA-N	498.807	5.060	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c1	2409128	FBIXEWCNWKIWAS-HMAPJEAMSA-N	463.628	5.795	10	40	JKCB	
CCCCN1C(=O)/C(=C\Nc2ccc(Cl)cc2Cl)C(=O)N(CCc2ccccc2)C1=O	8431370	PCNDFSFSJLGPSC-OBGWFSINSA-N	460.361	5.123	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1C(=O)O	8820157	UALQFAKRSLHBCA-RGEXLXHISA-N	489.018	5.439	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)c1	9089892	QFHIJAJSFKLJJD-JJIBRWJFSA-N	467.594	5.619	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(C(C)C)cc5)c4C)C(=O)N=C3S2)c1	9209783	ZBZFRLFIOZLZIV-MFHBMNDGSA-N	481.625	6.193	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9291716	XMYYHAGXBNCCND-ZHIXYLIPSA-N	473.989	5.609	10	40	JKCB	
COc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1	13881247	DEGLUUDQZNROSW-UQQQWYQISA-N	491.634	6.176	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=S)N=C3O)o2)cc1	15012294	RFKVTUQDNZYYHP-BOPFTXTBSA-N	497.326	5.079	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16001171	BXBSTSZOBINBLD-ISJGIBHGSA-N	471.915	5.502	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	16268316	NHCHFNBUKVRJEQ-MTJSOVHGSA-N	480.948	5.222	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)c(C)c1	33391848	GUYLJMMXWMJZIM-STZFKDTASA-N	492.062	6.034	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c(C)n1-c1cccc2ccccc12	34780171	STDVJUPLJIZSOB-HZHRSRAPSA-N	469.928	6.407	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	34798784	SSPGACLAFKWQLC-ONAIEWRJSA-N	474.417	6.066	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Br)cc4)c3)S2)cc1	35128785	IEUJWERHYIIGOR-HMAPJEAMSA-N	479.399	6.419	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1	58845834	LTKUTWJSZVBKAA-CEYNDMKZSA-N	485.436	6.929	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	58846660	YQHDKBAFYOQUQE-CLCZQPDDSA-N	460.599	5.939	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	100207932	RCXUOWMFPIBPKM-YVLHZVERSA-N	481.173	6.023	10	40	JKCB	
C=C(O)c1ccc(Cn2c(=C)/c(=C/C=C/c3ccc(N(C)C)cc3)s/c2=N/c2ccccc2)cc1	111504682	FBECNDSENREADR-PYOGBTNNSA-N	479.649	5.329	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223347647	LMTQTNXEFLULTE-JWQCQUIFSA-N	458.587	5.263	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1	260564925	FVLSUDJZUTZVSJ-LSCMLXDISA-N	489.685	5.944	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)Nc1cccc(Cl)c1	408572410	GTYSVIBUCGVQHY-MTJSOVHGSA-N	498.988	5.902	10	40	JKCB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1[N+](=O)[O-]	408640263	IGPFEPDTOUCESJ-HXUWFJFHSA-N	481.508	5.840	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2sc3ccccc3c2Cl)c1	408753859	OGYZBKYPKLETAQ-XSFVSMFZSA-N	473.941	6.606	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408763689	QESCWHOQLRVWIT-CPNJWEJPSA-N	477.904	6.437	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)C1=O	408870946	YAAPDCJJMNOCLJ-STZFKDTASA-N	474.944	5.456	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c1	409010278	BPHGSLTUMMBQER-OEAKJJBVSA-N	483.568	5.277	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OC	409036181	AGYMTRTULGLERK-BJMVGYQFSA-N	460.786	5.249	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)ccc1Br	409245019	MFGQQDMWFZXKGL-LPYMAVHISA-N	464.363	5.258	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	409331495	NJFBSCMFAJRGCL-CIAFOILYSA-N	450.541	6.186	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	409339417	VGELOFLCGMEDSJ-UDWIEESQSA-N	475.422	6.725	10	40	JKCB	
CCN1CCN(Cc2cccc(C(C)(C)C)c2O)CCOc2ccccc2Oc2ncccc2C1=O	643589528	ZIDIZWYYGAJUBS-UHFFFAOYSA-N	489.616	5.234	10	40	JKCB	
Cc1c(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C	1009699	DETYBTOAMLNAQZ-YVLHZVERSA-N	476.410	5.197	10	40	JKCB	
Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	2149730	NWZSSUSLAXNHME-XSFVSMFZSA-N	483.351	5.221	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc(OC)c1O	8821597	QRCMHCNNLFKENF-CYVLTUHYSA-N	481.636	5.206	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1	8863618	KSNSKTFRZBSICN-VWLOTQADSA-N	487.452	7.411	10	40	JKCB	
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1	8871907	GLTNLWSFAVALCC-UHFFFAOYSA-N	497.616	7.170	10	40	JKCB	
Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c3ccccc32)c1	8915970	KERCYJYJFAJLAJ-ZKNSXIRRSA-N	456.571	5.504	10	40	JKCB	
COc1ccccc1[C@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCO[C@H](C(C)C)C1	9076618	YHCSBWVYRBEFRR-WUFINQPMSA-N	452.639	5.273	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)cc1	9167314	CRAJEBMRPVQEJU-BTSLSPDOSA-N	488.594	5.182	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1	9291152	ITKPKQXDTZBGGR-UGIGCIEISA-N	461.635	6.301	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1C	9309775	ZPOSJXHQDXKASP-IYYHIDBJSA-N	467.598	5.573	10	40	JKCB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Sc1ccccn1	16739914	VGVIQKXEINXRRY-SILNSSARSA-N	458.543	5.973	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Br)N2CCc3ccccc3C2)cc1	16914586	XYYGDHCDOAYILT-VWLOTQADSA-N	478.434	5.045	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)SC1=S	26965333	FCSLPZZHKTYNLN-BOPFTXTBSA-N	490.027	6.004	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC	27019816	BSAIFORBIWYCRE-KQWNVCNZSA-N	474.586	5.013	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(Cl)c1OCc1ccccc1Cl	33634476	HYKPICCRZNISSQ-HMAPJEAMSA-N	499.419	7.054	10	40	JKCB	
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c2c1C1CCC2CC1)c1ccccc1	71404337	MQQHJBCCQVEVOJ-UHFFFAOYSA-N	468.600	5.043	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1	83293500	WDBRUHCBRDJINI-FYJGNVAPSA-N	490.943	6.133	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	96936280	MCXILAOXJBLKTP-FGHSJCFPSA-N	451.972	6.071	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1	113831449	JAOYCYVHKXSZLM-PXLXIMEGSA-N	461.564	5.629	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926016	LXMSSOJMXWTNBS-RPWUZVMVSA-N	479.606	5.034	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224203465	RMKVXNVFSVIETA-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224220895	JFIBQJRCNHXPPS-KAYWLYCHSA-N	496.636	5.761	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224234309	HNVNEDJQGBFQSV-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224898253	PROQEQMEZWDQKK-IZLXSDGUSA-N	484.644	6.676	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	260909995	BKNCYSUKIHTUBP-DQEYMECFSA-N	456.615	5.596	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21	260921357	PKCUMSYPCNBQKT-IZZNHLLZSA-N	484.625	5.619	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	260924313	UFIWMPLXDUWMGE-RPBOFIJWSA-N	458.606	6.030	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1cccc(F)c1	408528806	FJURYQQUEGXZQC-SXGWCWSVSA-N	468.369	5.055	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408588895	WYIXCRLOQRDZDY-STZFKDTASA-N	480.347	6.663	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409060430	VCGYVRANTVADSV-UQQQWYQISA-N	498.579	5.456	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1	409141405	IMNLTWRCVULOLS-XIEYBQDHSA-N	488.609	5.940	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Br	409191818	OAUVYFVTPUCXOC-UDWIEESQSA-N	487.806	6.751	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	409243007	UHIGBOHWVMAIOK-SSDVNMTOSA-N	487.408	6.646	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1	409327535	KQXLAPUFOCVLHI-HZHRSRAPSA-N	474.607	5.727	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1C	409344147	FSWAEQXPYCCQFQ-WSDLNYQXSA-N	464.568	6.494	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	409344249	IEJWHWYOAUEYDO-XDHOZWIPSA-N	461.486	6.380	10	40	JKCB	
CC(C)C(=O)N1CCCCCCCNCc2cc(N3CCN(Cc4ccc(F)cc4)CC3)ccc21	2037931556	JWOLWKKFCGLVBS-UHFFFAOYSA-N	480.672	5.191	10	40	JKCB	
O=C1c2ccccc2C(=O)C12C(c1ccc(Cl)cc1Cl)=NO[C@@H]2c1ccc([N+](=O)[O-])cc1	2213472	ULYVHDIWVYPFER-JOCHJYFZSA-N	467.264	5.443	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S	2308893	YIBZZXNBBINYCP-QJOMJCCJSA-N	477.655	6.329	10	40	JKCB	
Cc1c(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccccc1F	8407947	YSADWUNLRWQJKL-YXWCMDNCSA-N	485.466	5.319	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O	8439144	QYKFDIPYBNPYGK-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	9193174	DYCLNYPOYBDXQD-OQDPOPDBSA-N	473.627	5.634	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1C	9293285	ZIHSROMKWWMQMX-KOXZJICBSA-N	467.598	5.573	10	40	JKCB	
Cc1cc(C(=O)CSC(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1	13145776	IOYBVWLIZOMIJO-UHFFFAOYSA-N	477.576	7.401	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1OC	14479136	WEUCBLOMXRNQCI-LZCXECNNSA-N	462.571	5.331	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1	26533602	IPTIMESJHZOESC-MOHJPFBDSA-N	488.613	5.021	10	40	JKCB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	35540631	BBSXKAWCXXOBBW-GCKMJXCFSA-N	482.960	5.276	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1Cl	36589979	VAAWVHYKCAPJTB-WUXVYIAASA-N	488.016	5.918	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Br)cc2)N3)c1	58845828	POWIRYGPWOKXLF-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2	59961092	WPMZZTOLOVIRQW-XLNZFTOWSA-N	471.409	6.621	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21	208451402	HSQIWNSEMZTYBX-UDWIEESQSA-N	466.006	5.111	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	222874982	DRISUXZMIZSJPJ-FCHUYYIVSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc2ccccc12	222916280	MMKQQLLXRCXPFE-KAYWLYCHSA-N	454.643	6.271	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222963086	UYVVPNADPLKGBM-DHIUTWEWSA-N	472.580	6.281	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223054012	ATJZULMSLIFCFP-DHIUTWEWSA-N	455.027	5.152	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103440	APRIQNSYFZRNOR-CLJLJLNGSA-N	479.093	6.756	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1	223460929	YQQCSGNIESRTMP-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	224169482	SANKVNYTCUNPNO-LOSJGSFVSA-N	493.463	6.973	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	224334819	RNLUZOPEUWIUIQ-URLMMPGGSA-N	480.681	6.791	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405451	HKVHSTISGGYDBO-IAPPQJPRSA-N	484.644	6.676	10	40	JKCB	
CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	408571674	CHQLDRDBROHVKO-JLPGSUDCSA-N	488.634	5.668	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Br	408587072	PUVXHHZZHFYFNO-YBEGLDIGSA-N	466.253	5.345	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O	408600256	ASTWUTRVLUQPIQ-XNTDXEJSSA-N	486.267	5.136	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408768733	IPHKUMLKEYXLIH-LFVJCYFKSA-N	455.558	5.366	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1	408803284	NFHMUUAKFLMJCA-OEAKJJBVSA-N	474.944	5.511	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1	408842745	AYTZERCEQFKXPU-XDHOZWIPSA-N	498.435	5.849	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cc(C)cc(C)c1	408889536	DVNPKUPOFRRJJH-MFKUBSTISA-N	498.579	5.564	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(OC)c3)C2=O)cc1	408891978	WRKKYEAQEWNNOQ-BUVRLJJBSA-N	484.552	5.120	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1	409044594	WCQWLZDZEXHLOO-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409051936	FGSWIAFUZJYODK-ITYLOYPMSA-N	484.596	6.069	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409061061	UPIAZWGCTFSOPM-BKUYFWCQSA-N	464.924	5.764	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c2ccccc12	409072271	MXPBPSVWNRJJEX-QGOAFFKASA-N	450.947	5.032	10	40	JKCB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br	409327053	HEGMZPJCGRWMMG-SXGWCWSVSA-N	498.807	5.060	10	40	JKCB	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Oc4ccc(Cl)cc4)cc3Cl)S2)C[C@H](C)O1	585152310	NMJMVONNYLZERI-QJQKFFLCSA-N	463.386	5.865	10	40	JKCB	
COc1ccc2c3c(n(CC[C@H](CCC(C)C)c4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O	604406217	ZJBNXYTXWGPWDM-IBGZPJMESA-N	485.580	6.433	10	40	JKCB	biogenic
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	640716	LAZVTSOCTNZBRV-DEDYPNTBSA-N	462.336	5.458	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(Cl)c4)C(C)=C3C(=O)OC)c2C)cc1	2185471	UOEPLTHFVLBFBO-MYYYXRDXSA-N	490.987	6.023	10	40	JKCB	
Cc1ccc(Nc2cc(N3CCN(c4ccccc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2307196	NOZNGMRNRLWJAN-UHFFFAOYSA-N	486.575	6.418	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1	3003468	NMXIPXCEIHSRRW-LFVJCYFKSA-N	461.608	6.379	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(OC(F)F)cc1	3291751	QEWGEPRECILZMC-UHFFFAOYSA-N	489.518	6.254	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)c1	8821282	MBWGUNJFANWTBS-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	8997365	KUQYGUMGJJHLKA-PCLIKHOPSA-N	497.551	5.823	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1	9076331	HRCCMIWINVDJAR-XYGWBWBKSA-N	463.537	5.227	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(Sc5ccc(Cl)cc5)o4)C(=O)N=C3S2)cc1	9113062	QSIOEZVKQRSHTL-LSZLNTRYSA-N	478.986	6.060	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1	9307489	UZCBOFZEMOLVPC-GSDHBNRESA-N	483.951	5.371	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2C)cc1Cl	9309022	GHEBHZXAVOCNQI-IXODWGBUSA-N	463.950	5.316	10	40	JKCB	
O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1cccc(C(=O)O)c1	9363754	WVGMFHLJYNLEFL-XMHGGMMESA-N	454.573	5.421	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)SC2=S)cc1	12463532	UTEDPXAUNOEJAA-UCQKPKSFSA-N	484.017	7.026	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(Cc4cccs4)C3=O)c2C)ccc1Br	13712692	OMHGCMUYDIYGFK-YBFXNURJSA-N	498.402	5.093	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	34703967	LBNZLKVTJGWPRU-NYTAGIQFSA-N	461.497	5.040	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	41108555	ILQIVLADZAARSA-UQQQWYQISA-N	475.635	6.163	10	40	JKCB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[C@H]2C=CC[C@H]21	58847447	RYANPEYZULWXTL-GLDPYIMESA-N	481.961	5.876	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1	58849368	ZTMVHERXSBXMST-LZCXECNNSA-N	480.561	5.470	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc21	208460947	WBDAZNAWAUIOST-QRVIBDJDSA-N	475.614	5.610	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1	223384971	VWJWFIJQLZPFMZ-UIOOFZCWSA-N	473.045	6.315	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223727485	RJXQWXFZBCZUFG-JWQCQUIFSA-N	497.064	5.377	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404062	LXCYMJGKTFVEAY-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609394	YIHKKHGPQVDQPF-IAPPQJPRSA-N	482.653	6.243	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)cc1C	408857979	OLSJFUZCTJHYKR-FYJGNVAPSA-N	461.949	5.339	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1cc(C)cc(C)c1	408876045	IWEPNGMVHIGGNT-YDZHTSKRSA-N	474.944	5.223	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408993477	DHERDVKIIIQIAL-NHDPSOOVSA-N	498.366	5.072	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)N(c2ccccc2)C1=S	409022247	KSMMDIHVJXDRGM-LTGZKZEYSA-N	462.596	5.693	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12	409023321	JHAKYOWWNKUUOV-MOSHPQCFSA-N	453.416	5.441	10	40	JKCB	
CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O	409140645	LBIZTTLQCOKUIL-BXUJETTOSA-N	461.008	5.372	10	40	JKCB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O	409211666	MNJXVJGFMXAHSJ-SAGYFLTASA-N	480.508	5.491	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S	409329896	IOARLBNBQYABND-YBFXNURJSA-N	472.931	5.923	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc([C@@H](C)CC)cc3)C2=O)cc1	8830153	ATOKWDIIQZKAIK-PJVCEZMGSA-N	485.584	5.309	10	40	JKCB	
O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccc(OCc2ccccc2)cc1	9187878	QVOBUOGSWWZFQC-BWAHOGKJSA-N	473.573	5.197	10	40	JKCB	
COc1ccc(OCc2ccccc2F)c(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1	9849389	NLHOPBLQIBLGJL-UUYOSTAYSA-N	469.534	5.958	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1	13810562	PIMUEQZHXJBHAM-CSEHATQYSA-N	481.577	5.969	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1	13898134	PVCAGSCCALGWOC-KXYLLZDBSA-N	492.601	5.189	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14415126	DKYWSHHVCCPHTN-QOMWVZHYSA-N	453.538	5.784	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S	16805313	OSTKPUZHAJNQJX-ZHZULCJRSA-N	476.652	6.150	10	40	JKCB	
COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21	20059405	JJOSOBHZYXNWOB-XIEYBQDHSA-N	465.553	5.013	10	40	JKCB	
Clc1ccc(/N=N/c2c(-c3ccccc3)[nH]c(-c3ccccc3)c2CN2CCOCC2)cc1	22520906	HVZPYLJNYRFINP-NVQSTNCTSA-N	456.977	7.250	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1	30735191	NCNPPZOBVSPVMN-ICALIKLASA-N	469.522	5.428	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	33558342	LKUUADFGIVRFGI-AUIJKELASA-N	458.012	5.386	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)ccc1OCC(=O)Nc1ccccc1	33850511	ZYGXRSHYZCONGD-HMAPJEAMSA-N	493.972	5.449	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1	41083104	ZTWSDMDLGUUNMA-OMLAYDHKSA-N	471.380	5.909	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484875	GXMZODQYMCGCKM-JJIBRWJFSA-N	466.924	6.385	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1cccc(Cl)c1Cl	83309645	QNALCVVHZSFVCD-MHWRWJLKSA-N	458.301	5.496	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Br)cc1	222830656	MGZHCUXVHCGTGT-FCHUYYIVSA-N	469.452	5.633	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	223054784	HNCGDEBDRTUIQE-XZOQPEGZSA-N	499.478	5.261	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223366945	SMGRRFXOOZGQDR-JWQCQUIFSA-N	486.597	5.041	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223802595	JFQYBQBPYAQIMR-WDYNHAJCSA-N	496.680	6.682	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccc(Cl)cc1Cl	408720762	CWGVXAQREZGOPZ-UDWIEESQSA-N	486.401	6.618	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC	408725092	GYXIWTNAQFHNQG-UHFFFAOYSA-N	470.525	5.294	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1Cl	408799222	JYJLJDDBKBWZTN-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2Cl)cc1	408803215	MNXQFFYANXSPAH-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1	408840024	AJGJXVLHXSWTIV-UDWIEESQSA-N	457.744	6.490	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)C1=O	408875590	KLQHJTKFNBABKU-ITYLOYPMSA-N	478.523	5.799	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2cccc(F)c2)C1=O	408876517	LVHBYYIEDFMZER-CIAFOILYSA-N	483.326	5.698	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1C	408902725	QMXWZWURZXFGKD-HYARGMPZSA-N	462.596	5.595	10	40	JKCB	
COc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Cl	409053426	CMIGBJJWMOBSTO-UHFFFAOYSA-N	467.308	5.585	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(C(=O)OC)=C2C)cc1	409057358	KZUVWKBRIIWDSU-XYGWBWBKSA-N	474.532	5.509	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1	409121908	VTQWZXQURCTJTO-UHFFFAOYSA-N	454.617	5.605	10	40	JKCB	
CCn1cc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	409368720	JRDHIIUMYWDJOX-NVMNQCDNSA-N	491.425	5.906	10	40	JKCB	
CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1	8496283	IWANSPYEHJHTLX-STZFKDTASA-N	478.932	5.189	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(Cl)cc1	8820148	FHFZERVFBAQEFK-RGEXLXHISA-N	479.454	6.394	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	8916132	ZJPGENXWCIUOKA-IOPUFQEFSA-N	492.601	5.271	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCC(=O)O	9188818	YJTMNAZGVPKMMD-HMAPJEAMSA-N	493.562	5.357	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	9233511	AIJLYAVPHFITKU-UFFVCSGVSA-N	484.936	5.821	10	40	JKCB	
CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1	9281399	KZSAYTGOBCLTLH-UHFFFAOYSA-N	491.462	5.472	10	40	JKCB	biogenic
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc(F)c1	9296562	YNNFUPQZZJRABC-WOJGMQOQSA-N	460.349	6.254	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	13786001	LQZXOUZNVPRNSI-WPRPLIHDSA-N	495.604	6.066	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Br)c1	13940255	BSGJVUYWZNKOSV-ONVPTEKUSA-N	454.349	5.113	10	40	JKCB	
O=C(O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@@H]3C=CC[C@@H]32)cc1	14165996	YOIPRVFBDLXVCK-IMWIBFENSA-N	464.518	5.151	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	33421914	ALQYJVPCWSTQEM-MFTVFGMVSA-N	466.010	5.947	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(O)=NC2=S)c1	59137952	PAFHWIJWXBHWQI-XSFVSMFZSA-N	464.568	5.810	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	222989188	KOVHLAPZNZFARZ-DNQXCXABSA-N	462.619	5.048	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223405378	BZGRMTICVFRVHK-SXOMAYOGSA-N	496.636	5.448	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc21	223489915	CBEMBKRQBMFWEB-HYARGMPZSA-N	473.642	5.545	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224335869	CMRKNYACTIRVAE-SVBPBHIXSA-N	487.072	6.882	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431153	VXJSWLXCVISJPV-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	260909943	AYBXPMKLGVUWIS-RPBOFIJWSA-N	455.631	5.281	10	40	JKCB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408571349	BDRKJTVZDAEUTN-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4ccc(Oc5ccccc5)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736138	HRFMXADGDPHZHL-XHWIWGEHSA-N	480.007	8.538	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)c(OC)c1	408765226	XKIYZZDDENJGKB-CIAFOILYSA-N	481.321	5.440	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)c1	408765581	WKQDZPUKKWBCRO-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1	408870926	XFVMXKPUGPIWDA-HYARGMPZSA-N	462.908	5.299	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(OC)ccc3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S	409012335	QOYAPIOSXXAZHY-ZHZULCJRSA-N	450.947	5.065	10	40	JKCB	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O	409141043	LFECIJRKBBZGHM-LICLKQGHSA-N	467.399	5.247	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)c1	409341895	CTDAJCCWPWOQAF-CIAFOILYSA-N	472.557	6.827	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(I)c1O	3769065	HRQAJBBFXHHODQ-MHWRWJLKSA-N	497.379	5.110	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1C	9424046	WODBXFXXLNJFPU-WUXVYIAASA-N	497.580	5.035	10	40	JKCB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O	12285253	VQGQXSABHWMWQZ-QVIHXGFCSA-N	491.463	6.063	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1	13748531	KJQMGJQORXCTRH-IQDKPADRSA-N	491.638	5.318	10	40	JKCB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)c(C)c1	13805566	CBAPORZLOWXHFY-GIWBLDEGSA-N	483.351	5.367	10	40	JKCB	
Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)c1	33157371	WZTFBCKUKHZEDJ-KOKPDDJTSA-N	468.582	5.488	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1	41082534	MPWDTNFNNJYZLV-RZIXDFODSA-N	495.963	5.264	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58848173	DGUBNVZEELMGRR-BPYKYCOYSA-N	495.988	6.184	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58849069	JUGMYHCGARTJAG-LZCXECNNSA-N	481.017	6.366	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1OCC	59136314	AMQLWPZTPJIGQG-UKTHLTGXSA-N	493.354	5.057	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	59137183	DBKDQVQZKJUMAE-VCHYOVAHSA-N	472.303	6.047	10	40	JKCB	
CC1(C)Nc2cccc3c(/N=N\c4ccc(/N=N\c5ccccc5)c5ccccc45)ccc(c23)N1	85205442	YCUVUDODLRLVIC-ACCGTFPRSA-N	456.553	9.397	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc2ccccc12	100319915	SJIFLEBTTRKHMU-MFKUBSTISA-N	482.967	6.887	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)c1	102687130	JFKYITUZBYAZGF-JWGRYVKWSA-N	472.614	5.640	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222906017	SQQHVIOQYKABRB-DHIUTWEWSA-N	472.580	6.136	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926958	RIYISQIBNHKAFP-ZEQRLZLVSA-N	462.619	5.124	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	224422484	UFIWMPLXDUWMGE-JWQCQUIFSA-N	458.606	6.030	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C	224568299	QANWEYYMAXGXLW-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Br	225016014	IQXVEOPODMGODT-RPWUZVMVSA-N	495.490	6.167	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1	408762888	CHTWCHDCMZYOKO-UHFFFAOYSA-N	495.966	6.331	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1Cc1ccco1	409133049	ZERYWIALPUKQCF-UCQKPKSFSA-N	478.570	5.854	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1Br	409344507	JOGBEXKUMYUDNF-LZYBPNLTSA-N	489.243	6.560	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)CSc1ncc(-c2ccccc2)s1	1889237984	RUPJLEKJZUBHKS-YYRYWCHZSA-N	481.771	8.066	10	40	JKCB	
Cc1ccc(C)n1-c1cccc(C(=O)O[C@H](C)C(=O)c2ccc(OCc3ccccc3)cc2)c1	992730	QTADDOMIJHEUBV-JOCHJYFZSA-N	453.538	6.101	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)c(OC)c1	8821349	SOOBVDJGTYBZMK-OYKKKHCWSA-N	477.607	5.997	10	40	JKCB	
CC(C)CC1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1	8984510	WYWVEQBXQBIJRK-AXWKRHODSA-N	487.412	6.238	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	9183490	NGLBWGWWKHPBDX-DZUMZMOTSA-N	460.407	7.216	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc12	9234395	WATXXHZWRAFQCA-SSDVNMTOSA-N	478.639	5.297	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c(C)c1	9308312	XCYUIHOGKJFDDD-VKPUNFQASA-N	453.571	5.378	10	40	JKCB	
COc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)cc2)c1	9907697	NHUITHUSLIFRPB-HMAPJEAMSA-N	477.563	5.329	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)cc1OCC	10131352	JDFISAKZNSDSSY-QJOMJCCJSA-N	471.553	5.905	10	40	JKCB	
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)c1C	12276161	DWKPHGQMNJSIHW-UYRXBGFRSA-N	489.460	5.686	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)c(C)n1-c1ccccn1	12534859	DVYWYRNYYAUQLU-OAQYLSRUSA-N	491.592	5.041	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	13069676	ODKCLLJHNBVSMY-ZAMGYDSWSA-N	462.377	5.084	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1	16678547	AJYXEYUXCUDBJR-MKMNVTDBSA-N	490.947	6.555	10	40	JKCB	
CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2cc(Cl)ccc2O)cc1	19326955	QKLDPHPYCITZAF-UHFFFAOYSA-N	479.068	5.584	10	40	JKCB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	26840794	UVISNZLSVGMSLD-RCCKNPSSSA-N	485.590	5.197	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	35898102	WZBBVSIUHDLBJA-DRODTDONSA-N	461.624	5.151	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1	41077965	SRCZHGKNTYNZNA-FLVDCRJSSA-N	455.558	5.582	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2)c(C)c1	41083302	VJJCQDGPZJRGBD-NKFJNAIASA-N	462.575	5.036	10	40	JKCB	
Cc1csc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)n1	44086354	NJOILEJOJBOPGE-UHFFFAOYSA-N	465.560	5.002	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1	58850021	DSZCLJXXVLMPOT-YZUZCNPQSA-N	492.513	5.130	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(N(CC)CC)cc1	102788959	HOONQNIPBWDNBM-URAOTHONSA-N	483.612	7.086	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)SC1=S	106108277	CBPRDFUSPVXEHG-MXAYSNPKSA-N	476.711	6.783	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	106761523	RXVVKZFRZQYGKW-JCMHNJIXSA-N	463.515	5.118	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)o1	108948142	LNIYTLYWECLHDP-MTJSOVHGSA-N	450.516	5.019	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)SC2=S)c1	208731829	WYBPWJOGTDJWIL-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	222961119	PTIZTGDMSMBARF-RRPNLBNLSA-N	454.643	6.415	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1	223346051	DSHUXWJJKHAACK-BJKOFHAPSA-N	463.006	5.908	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	223566459	LKAZGTHKAHQQSV-QCYAWUEASA-N	491.657	6.171	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223761362	OOIDFAUBLMUWKV-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C	224270518	VTBKELFVBABMJH-VMPREFPWSA-N	495.696	6.349	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224300764	CUKKWNFCHZOVLD-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224305493	ZLJGDJGATPKZJJ-YTMVLYRLSA-N	480.681	6.900	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224341791	QMWAMTGSOSHPEF-IZZNHLLZSA-N	467.642	5.932	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438938	YFBFOLAIALXKFB-BJKOFHAPSA-N	457.578	5.509	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224868127	SVPNJNDWKCVADA-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1F	224869074	APNREYPADFNAIG-LOSJGSFVSA-N	493.007	6.164	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)S2)cc1	408781063	QXRINLOLUGZMEW-CBYYHRJHSA-N	496.474	6.327	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1	408987781	YALUJIGNLBPJGU-HIXSDJFHSA-N	452.554	5.393	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCc1ccc(Br)cc1	409008035	UZCPYPPECYBFSP-UNOMPAQXSA-N	478.433	5.648	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409041078	ZBKNXUKASOFZQV-XFFZJAGNSA-N	497.763	6.010	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409058319	MJJWMQBNUBBQNN-OYKKKHCWSA-N	460.961	5.933	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC(C)C	409096492	KLPBEEDTSAHVAE-MDWZMJQESA-N	497.762	5.499	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	409329825	HASLIOOKORCYHZ-HZHRSRAPSA-N	481.042	6.391	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(C)C	409343522	HWQMITCGHQLQPG-VXLYETTFSA-N	467.534	6.155	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)c(C)c1	409346056	NFIXTWBKZBPPKX-RGVLZGJSSA-N	469.971	6.321	10	40	JKCB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)c(C)c1	409374318	MGAXDFMJOYEQNN-HYARGMPZSA-N	463.603	5.195	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC(=S)N1c1ccc(F)cc1	1257896	MSOQUYKKFYACCN-XNTDXEJSSA-N	461.301	6.064	10	40	JKCB	
O=C(c1ccccc1)c1ccccc1Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1	2063488	BXCMSLSXJKHZEP-UHFFFAOYSA-N	480.365	7.034	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)c1	2309288	PVAWLDRXZPCZCP-MFKUBSTISA-N	463.537	5.281	10	40	JKCB	
Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4083672	GIAWXGUQYRATBI-UHFFFAOYSA-N	487.669	5.161	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C(C)C)cc3)o2)SC1=S	8884279	KRQSFLAUGSQSEH-DAQNXSASSA-N	461.630	5.478	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	9246840	ADYUYJZHXMTBQT-RGVLZGJSSA-N	454.313	5.067	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9273391	FCBUYKQDBIHBQU-ZIGUYJKXSA-N	483.475	5.373	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1	9462476	VBKAAWWLYFQVRK-KQWNVCNZSA-N	491.707	6.795	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccccc1C	13773912	LIGRIYQUZUARMG-JCMHNJIXSA-N	467.612	5.757	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1ccccc1F	13787561	RSJKERJSVAFDSR-KAGZEXGGSA-N	489.601	5.743	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1	13895518	UCEMJNJFKXZJPO-HMAPJEAMSA-N	465.322	5.973	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)SC1=S	16790652	FUQDYFUVDVAZMF-MOHJPFBDSA-N	475.635	6.841	10	40	JKCB	
O=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)SC(=S)N1Cc1ccccc1	20238610	GDFFPQWTGCUCIB-JCMHNJIXSA-N	459.617	6.985	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)o1	27546648	XLKQIPMAOLSGEY-HMAPJEAMSA-N	489.484	5.235	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	31952143	QWLOAUDVZPXCMX-ZQFCNSAKSA-N	477.546	5.834	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	33530043	GPXQMWUABORVEK-DHTWHNCJSA-N	486.306	5.582	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	33702903	OMUALDXSMNVTRB-ICALIKLASA-N	469.570	5.079	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)c(Cl)c2)cc1	44903579	YBNXYJPGEMEYJT-UHFFFAOYSA-N	498.048	5.370	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1Cl	59198201	WFRXBNPIKJECBT-NTUHNPAUSA-N	484.133	5.661	10	40	JKCB	
CC1(C)Nc2cccc3c(/N=N\c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1	85205443	YCUVUDODLRLVIC-NCTHRFBRSA-N	456.553	9.397	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	102651064	LJIWTCOZEBXBSZ-PZBISTMVSA-N	473.635	5.606	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	106685901	GQEPDMOJRQXKLH-UCQKPKSFSA-N	495.000	6.161	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1	113834703	DXVBZQZLVLUULN-XDHOZWIPSA-N	466.496	5.047	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21	208254100	BPNXARUKFOFVPE-LKEIMFIWSA-N	458.986	6.438	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc2[C@H](C)CC1(C)C	208319957	MAMDUXGCTUXPDM-NSTHGIQOSA-N	468.066	7.151	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(F)(F)F	222918214	LFTUYVAOLGXIBW-PKTZIBPZSA-N	472.580	6.136	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C	223585513	GRDDYEKZAPKKPM-PVFDWLMNSA-N	477.630	5.782	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224206990	CHEDYGAKYFUBRY-SXOMAYOGSA-N	482.609	5.703	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(CSc4ccc(Cl)cc4)c3)CC2)cc1	224390338	JQABCCICCWDIAW-UHFFFAOYSA-N	483.033	5.612	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1F	224897545	DPOIJDKSZRSZPV-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
CC[C@@H](C)Oc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408603448	QWDBFNPHHKDQTR-LJQANCHMSA-N	456.567	5.612	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O	408718263	GUXIVYYEAFUKSE-RIYZIHGNSA-N	485.222	5.626	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)O)ccc3Cl)C2=O)cc1	408762516	BXQFUVNHBXZOKL-PDGQHHTCSA-N	466.320	6.172	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)c1C	408819558	XSQFMAAJFBZVPV-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408908344	BUJQCNJIEIMSIF-CIAFOILYSA-N	473.891	5.149	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C2=O)cc1	408983810	CTOBCRGHFOOQTB-XSFVSMFZSA-N	450.365	7.172	10	40	JKCB	
O=C(Oc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1	408992401	BAQBHHYLUSODGI-STSQHVNTSA-N	470.783	7.693	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl	408998684	RWDPGCAJASBCQN-GDNBJRDFSA-N	467.146	5.633	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409000151	DWZRWMYQDDZGFP-UCQKPKSFSA-N	464.924	5.764	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409075692	TYULMFLSDMXMJF-PXLXIMEGSA-N	496.972	5.313	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21	409130045	NADVKMLRCGPIRT-VKINRBECSA-N	495.714	5.824	10	40	JKCB	
Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409207600	YIOQLUPQBUSWKA-PCLIKHOPSA-N	467.550	6.646	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C	409241113	RIXCUMNEFHTIDD-FYJGNVAPSA-N	478.017	5.450	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S	409328669	ZRJPKFJMPSOVBR-YVLHZVERSA-N	468.478	6.017	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OCC	409348150	RLVUNDXOQAKYKV-NDENLUEZSA-N	464.008	5.942	10	40	JKCB	
CN(C)c1ccc([C@H](Nc2ccccc2)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1	2263556	VXBXCIQBQFDUGO-BVGRYSDNSA-N	491.616	6.882	10	40	JKCB	
Clc1ccc(Nc2scc(-c3ccc(Br)cc3)[n+]2-c2ccc(Cl)cc2)cc1	2677081	BPWRPWYYDKIMSR-UHFFFAOYSA-O	477.234	7.505	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	6603463	YZYXXQUJKOZKHB-HEOCGEATSA-N	494.882	5.109	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1OC	8820725	ROSMCTWDIXWHQK-HMAPJEAMSA-N	496.566	5.316	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1	9293362	ZNSOBUACJBZQCV-CLKGNMONSA-N	477.634	6.082	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1	9553552	CMYZIZGPLMMQEC-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1-c1ccc2c(c1)OCCO2	9635388	XUQZPHGGGSTHLJ-UHFFFAOYSA-N	465.506	5.029	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2c2ccccc2)cc1OC	13914852	QNLOFEMMJBCLMK-PDGQHHTCSA-N	453.325	5.845	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)c(C)n1-c1cccc(C(F)(F)F)c1	14358095	JJBXMHXOWBCICS-OUKQBFOZSA-N	478.470	6.100	10	40	JKCB	
COc1cc(OC(=O)c2ccc(Cl)cc2)ccc1/C=C1/SC(=S)N(c2ccccc2)C1=O	16195906	CMMCTHMBOUMYPY-FYJGNVAPSA-N	481.982	5.974	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c1	20324935	JCJSLVLELLNAQG-NDENLUEZSA-N	472.056	7.248	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21	33864262	SXAJJAHKVIKPGV-FKSRUJNBSA-N	476.565	5.060	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21	33897848	KGCOPMRRBHHFBJ-PXLXIMEGSA-N	469.497	5.124	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	41076660	JTKVLQUYPNROEO-LCQIMXFNSA-N	457.536	5.272	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)c1	58849966	IKUNGFJUGCJQFY-VRUMLPLGSA-N	475.570	5.839	10	40	JKCB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1ccc(Cl)cc1	102761841	NGSZVKITUOELLM-ZJOUEHCJSA-N	489.742	5.404	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	113834339	ZWYAYDLQOSRHFK-HYARGMPZSA-N	484.599	5.716	10	40	JKCB	
COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	222591320	BABGGYDRKCJLHH-UHFFFAOYSA-N	480.767	5.143	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223799420	ZNLYQPDEZVVQGF-VSGBNLITSA-N	498.652	6.074	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1	223916674	NRVYYNMRRVYAMP-SXOMAYOGSA-N	483.641	5.432	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(=O)O	224167976	CKLUPHBHWIOTDX-JWQCQUIFSA-N	468.582	5.364	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c([N+](=O)[O-])c1	224171532	SVXNTKCGTFISCE-FTJBHMTQSA-N	499.596	5.583	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224203029	FJLGIPOVEVWBPY-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2	408736135	HHNLLXQTJWUBQJ-XHWIWGEHSA-N	475.588	7.422	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl	408872636	HXBIYTVNJLJGDX-BOPFTXTBSA-N	485.298	5.378	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1Br	408984470	HMIMRLMEWACBID-XMHGGMMESA-N	464.334	6.458	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1Cl	408990303	WVTPSQFGIUSZJC-MHWRWJLKSA-N	475.715	5.882	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409009453	ABSPEARNFKHDEQ-UCQKPKSFSA-N	494.016	5.320	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=S	409038557	PGKBDTJOOUMOLK-NVMNQCDNSA-N	470.418	6.569	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1Cl	409045599	ZSWIHSZTIRUHAS-AWNIVKPZSA-N	453.709	5.020	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409211290	LKXLOBYQHHFRPA-FYJGNVAPSA-N	493.566	5.895	10	40	JKCB	
CCN(CC)c1ccc(C=C(C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc1	3258966	ROJKSRUQLRLWAN-DHIUTWEWSA-N	469.629	5.671	10	40	JKCB	
COc1cccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	9041739	RKZAHBTXRSFEOE-MBVGAYPFSA-N	487.585	5.004	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	13896283	GAKYCQCKTBMDLV-FWMAWXJYSA-N	471.586	5.530	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)SC(=S)N1c1cccc(Cl)c1	33318271	VZGQVPZIMGNTHX-ACAGNQJTSA-N	471.741	5.122	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	33616261	NVBUVRAIYWFFGH-WTJYETQFSA-N	475.976	6.768	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)c1	33897403	OORNVXVETLYBPM-HAHDFKILSA-N	485.971	6.026	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc3)S2)cc1	35377641	RWZHQJQNUQCURE-STZFKDTASA-N	484.986	5.499	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1OC	58847431	YAQAUBXVZVLECO-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCC2)cc1Cl	95475331	GXNQEJRXNHLMDU-UHFFFAOYSA-N	479.920	6.369	10	40	JKCB	
CCCCCCc1cc(/N=N\c2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(O)cc1O	104090770	BQOPZZKSXKNQIW-DQSJHHFOSA-N	483.594	5.844	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	222965411	SICIRBPHZLNGRL-XZOQPEGZSA-N	483.479	6.024	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223347760	LMTQTNXEFLULTE-LOSJGSFVSA-N	458.587	5.263	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223757451	OUQWUCKUPYHTBW-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)nc1	224308570	ORLMMUQPSIWXHV-SXOMAYOGSA-N	467.642	5.987	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	224568501	RKZDCMATVGBFKC-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1N1CCCC1=O	225656956	JDZPXXVBUSIQNB-FQEVSTJZSA-N	450.652	5.406	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1	231274966	QUTXGMYLFBRMTQ-BOPFTXTBSA-N	487.762	5.194	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1	408809356	NXTYTBCSJKWYBZ-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
CC(C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl	408873321	SUIGCTSXECIDAK-UHFFFAOYSA-N	476.985	5.876	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1	408876057	IXZLHWUPAWYDPF-ZVHZXABRSA-N	472.972	5.831	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408891455	QTRLWOVVAHIHLF-DEDYPNTBSA-N	495.362	5.801	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1	408935576	HYWGGUUMJSZQCZ-HAHDFKILSA-N	460.917	5.148	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1	409050622	XVXMMKZRIUCAKC-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409062534	WIJPCQBUNRYBIV-XKZIYDEJSA-N	494.950	5.772	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc(Cl)cc1	409333242	RLZGDIGUTCCBCA-PCLIKHOPSA-N	488.033	7.478	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Br)cc1	1307379	JVXSSFXDYHUNHZ-GZTJUZNOSA-N	482.246	5.124	10	40	JKCB	
Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	3200891	WEJOIQUOBLLZNV-UHFFFAOYSA-N	465.582	5.712	10	40	JKCB	
CCCCc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	3310913	DPTGGWJCNBPRNF-UHFFFAOYSA-N	468.981	5.894	10	40	JKCB	
O=C(O)c1cc(Br)ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2O)o1	8443229	FONKCJDBXRHRGS-YVLHZVERSA-N	487.693	5.362	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	9076560	NVBUVRAIYWFFGH-PHQOBFFQSA-N	475.976	5.927	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)ccc1OCc1ccccc1Cl	13895945	WMZSPLNOLPSQOX-HYARGMPZSA-N	491.931	6.032	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3)C2=O)cc1	27519446	FZFGEXRKFNUHLN-XDJHFCHBSA-N	479.317	5.771	10	40	JKCB	
COc1cc(/C=C2/C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(Br)cc1	27831076	MVGHUVDLTAKBIC-UNOMPAQXSA-N	481.317	6.157	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1Cl	33330647	SXZJRESACZVVRJ-ZDLGFXPLSA-N	488.758	6.312	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	83312793	CDHANRDJMUCAMG-FYJGNVAPSA-N	496.972	5.231	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1Cl	223349352	JWYOSCIFOZTTBN-DNQXCXABSA-N	497.451	6.562	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501068	HBSOAOUDYPCPJF-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1C	223561394	FGGBBIHBEYDQBN-OVBDPADQSA-N	459.590	5.470	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	224400196	DDFCKMTYSNAOKX-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	408571557	BRFGHORLYMUXRT-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c1	408755158	MQCZPHQIMLFEIS-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	408775249	RQXXORSUVPTEIK-SFQUDFHCSA-N	488.849	5.577	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c1	408982128	GCKTZRCVORXQKI-BOPFTXTBSA-N	499.306	5.015	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)cc1	408990544	NXTMWUAPEKVUBK-ITYLOYPMSA-N	476.532	5.648	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409135625	ZLTSEZAACZEQHZ-OEAKJJBVSA-N	485.436	7.070	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)c1C	409136864	YQDSWZGSJRAMIA-PCLIKHOPSA-N	479.605	5.695	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)c2ccccc21	409195496	QBUUXKCFPNWPND-JJIBRWJFSA-N	470.573	5.900	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409219324	PMNKKHVJQMKUFG-UFFVCSGVSA-N	483.933	5.905	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c1	409237647	KLLRIDMOFJQUMM-XDHOZWIPSA-N	450.947	5.357	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1	409329646	GPXBSFNHMBRPDR-YBFXNURJSA-N	466.496	5.267	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)O)ccc3Cl)C2=O)cc1	409332476	FQJJJGMEMDRWFE-CPNJWEJPSA-N	480.347	6.562	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(Cl)cc5Cl)c4C)c(=O)n3c2cc1C	409394306	YJCULLNGEJDMNT-YVNNLAQVSA-N	468.409	5.788	10	40	JKCB	
O=C1/C(=C/c2ccccc2)SC(=S)N1CC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	1737131	KXPAECSIIGGSTJ-MTJSOVHGSA-N	495.050	6.371	10	40	JKCB	biogenic
CCOc1ccc(C2=C(/C=C3/SC(=S)NC3=O)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1	2269813	PHAYKRVRSAYQGZ-CRYHJCRISA-N	489.593	6.192	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1ccc(Cl)cc1	2277607	ZVDZNJHYYOBQGP-HMAPJEAMSA-N	471.969	6.015	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	2454000	OZKHCTXAQCTIFS-TWJOJJKGSA-N	451.497	5.157	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Br)cc1	3351585	UAAJNGJVHKEIPZ-ONNFQVAWSA-N	482.330	5.025	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	6038788	LNKCOCDJCYZCEU-NYULUDCUSA-N	487.024	7.121	10	40	JKCB	
O=C1/C(=C\C=C2/Sc3c(ccc4ccccc34)N2CCO)SC(=S)N1c1ccccc1	8398978	OHSUDNYWXOOXRA-STLXZYOISA-N	462.621	5.534	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4cccc5ccccc45)c(OC)c3)C(=O)N=C2S1	8453061	XGNIIWXDGNIEKO-OHMBLGONSA-N	484.581	5.847	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1	8764038	YHSRJRPSYNBLFJ-NKFKGCMQSA-N	480.699	6.058	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1C	9310396	DCACLEGVOUEKHO-HZHRSRAPSA-N	474.607	5.727	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	14009631	CQTHYESZLFCPCE-ITYLOYPMSA-N	458.602	5.966	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	33855704	RGSOCVRCBMLVOG-FCEKVYKBSA-N	482.539	5.398	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C(O)=NC2=S)c1	59104680	JYSSJGVRUGACNT-BUVRLJJBSA-N	487.625	6.035	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1	102570782	QYSCAORAIQFYCW-ULJHMMPZSA-N	467.525	5.155	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)o1	106732382	CQQINFPLHVAKOP-JAIQZWGSSA-N	498.354	5.952	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12	108993332	NWZIVGFKCYDPPC-HAHDFKILSA-N	489.358	6.187	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C	208532870	SZNRWASVFUMEGP-QRVIBDJDSA-N	450.579	6.392	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C	222956907	SDCFNVALSPBHQT-XZOQPEGZSA-N	455.027	5.621	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	222970855	MHEOCBQFWQIKIK-BJKOFHAPSA-N	479.606	5.179	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21	223483772	FRDXOAADDIWGNA-FYJGNVAPSA-N	463.965	5.417	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223972739	BJKSACSSHNJRGP-VSGBNLITSA-N	495.652	5.933	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	225671352	GWSPFPKCAMYTRC-RTWAWAEBSA-N	464.679	5.597	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1Cl	408574224	LAXQKPBAASVHPD-GRSHGNNSSA-N	461.008	5.276	10	40	JKCB	
S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735468	QLORNJYJMCUSKP-UHFFFAOYSA-N	480.596	8.052	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(Br)cc2)cc1	408765588	MKFVGSVBRCHNKO-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408811459	NSOCJHFKUPBUKA-DEDYPNTBSA-N	479.330	5.056	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cc(C)cc(C)c1	408884314	YEWHDVPHWOKJTF-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1	408969514	PDHHLWCUNCCGGK-NDENLUEZSA-N	491.296	6.921	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1	408994570	ZSFCHSQTVCCKSP-YDZHTSKRSA-N	485.996	5.483	10	40	JKCB	
O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12	409054885	OIGJKNRCWRYXRE-SZXQPVLSSA-N	496.562	8.192	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	409084792	XZJHUWCAHFRJJH-BCUAHEQISA-N	494.009	5.447	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C	409338142	DUULLIAHCSOBSY-XDHOZWIPSA-N	478.433	6.041	10	40	JKCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1c1cccc(Cl)c1	2904787	KZSCRJCLLMABQI-ZSOIEALJSA-N	457.745	5.350	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	4172175	DRNRAJGKAYMMQM-WZOHSFFVSA-N	478.545	5.240	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821327	DGSQPMHFGPRBQU-UUYOSTAYSA-N	496.009	6.331	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1	8919687	FYBLDXNUJIOTPI-YPMLDQLKSA-N	483.859	6.840	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	9309454	COYHUSGCFCVTFW-KHCNQNERSA-N	453.999	5.947	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1	16042976	VUKJILLDBZDVEJ-XYBLXPTGSA-N	474.689	6.564	10	40	JKCB	biogenic
Cn1cc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21	35040073	OMFXNHAIGAYLSH-LTGZKZEYSA-N	458.649	5.975	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	41076339	KTQQLZYIINYDFT-VVHVNJFJSA-N	475.618	5.692	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	41084192	BVWLGPMNLZZICO-JRZACFTFSA-N	495.395	5.463	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)N1CCCC1	44086383	CVZVWPWNLUGNMB-UHFFFAOYSA-N	456.409	5.075	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222860611	IJKLOQSGULOMAM-FCHUYYIVSA-N	458.553	5.890	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cc(Cl)ccc1O	223850560	KGTALTFLXZNUKH-LOSJGSFVSA-N	491.016	5.731	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224015662	OUITVOTZQSDINK-SXOMAYOGSA-N	498.608	5.404	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408741634	RHEWYXDUSVWWTG-FYJGNVAPSA-N	465.322	5.973	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1	408753977	LJHNXKRDVDDBHV-UDWIEESQSA-N	465.278	5.121	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408760566	AXGQFYFBKXNVFT-XDHOZWIPSA-N	466.364	6.790	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	408803293	NIGLBLDVXFPEPE-YBFXNURJSA-N	497.334	5.247	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)c1C	408883584	UZBFAFJLQBBROI-YZSQISJMSA-N	478.523	5.853	10	40	JKCB	
O=C1C(=Cc2ccc(OCc3cccc(F)c3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408885074	ZXYWRYLJFDYLRY-UHFFFAOYSA-N	492.506	5.988	10	40	JKCB	
Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1[N+](=O)[O-]	408951623	MBWRJGNAWSKGDG-FOKLQQMPSA-N	485.540	5.037	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c1	408965081	GHWRJXPVQHHJIJ-IWIPYMOSSA-N	474.582	5.816	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1cccc(C)c1	408984608	JFXLWKDHOKEWCD-JLPGSUDCSA-N	484.552	5.202	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409188756	GEGOYYFTSNXMRR-HZHRSRAPSA-N	465.018	7.286	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC	409346406	KILPGUYEQMLDIQ-LZYBPNLTSA-N	470.797	5.526	10	40	JKCB	
CCOC(=O)N1CCc2c(sc(NCc3cccs3)c2C(=O)Nc2ccccc2OCC)C1	920957	STUOLSCKDSKMKN-UHFFFAOYSA-N	485.631	5.587	10	40	JKCB	
CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nc(-c2ccccc2)cs1	1329040	LQKIXYZCHLDGDI-UHFFFAOYSA-N	450.589	5.433	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	2195344	QTJSAOOZRQEGHF-JCMHNJIXSA-N	463.628	5.858	10	40	JKCB	
CN(C)c1ccc(C=C2C(=O)N(c3ccccc3Cl)C(=O)N(c3ccccc3Cl)C2=O)cc1	2532793	XUFNHZFWVUTZGZ-UHFFFAOYSA-N	480.351	5.643	10	40	JKCB	
CCCN(CCC)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1	4091842	ASIBNNBAKZAZLU-AREMUKBSSA-N	474.674	5.787	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1	8951763	NPONKRRSNWZEFQ-QQTULTPQSA-N	492.710	5.712	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9293519	HZONMPUPGKLWOG-IYYHIDBJSA-N	467.598	5.573	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl	9294953	NSRHJHUQBNQTEY-BUVRLJJBSA-N	496.053	6.719	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	9933805	VSFPBDWTHACVDT-XFXZXTDPSA-N	496.133	6.227	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	16713583	YDVDPBCNHMNVHM-RXSGWMIISA-N	484.470	6.183	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(Br)cc1	25389992	CVXDAVQUVRMQFW-UHFFFAOYSA-N	491.725	5.458	10	40	JKCB	
Cc1ccc(Cl)cc1NC1=NC(=O)/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)S1	33609039	HEAHAVCGJYQHRI-YVNNLAQVSA-N	491.956	6.025	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	35039456	NHZZTEASMZJWHJ-BUVRLJJBSA-N	459.592	6.182	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCc2ccccc21	44085821	OBJMDIOTNODJTG-UHFFFAOYSA-N	470.436	5.650	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2[C@H]2C=CC[C@H]21	58846449	XKOFPNVZSHPPGD-ISCCLHIJSA-N	460.599	5.939	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C1CCCCC1	59109526	GKELTVOGGGOBCP-HYARGMPZSA-N	461.949	5.978	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1O	103564588	NTZFNDLXFGNPJK-RBSBEOHCSA-N	488.653	6.738	10	40	JKCB	
Cc1cc(/N=N\c2ccc(-c3ccc(/N=N/c4cc(C)c(N)cc4N)cc3)cc2)c(N)cc1N	104381641	JCGDZDVFMMHRGQ-IUQQBYGBSA-N	450.550	7.130	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1cccc(C)c1	113834216	UEJXZZPFGZNVKX-HZHRSRAPSA-N	453.629	6.117	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2C(C)=CC1(C)C	208511273	IXEMRLQPFDISCW-XKZIYDEJSA-N	479.577	5.523	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCCC4)cc3OC)N21	222680326	YFQWSTHRLJQINO-GAZXMLTASA-N	452.624	5.069	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223459123	AKWKJGBFKAQSSH-KAYWLYCHSA-N	467.642	5.619	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223757139	VBYVRUSZZBYILD-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccn1	224457347	UCVPULFLLPGUIW-RPWUZVMVSA-N	460.006	5.715	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260925545	VLBIDAVOCPLATJ-BTZRARBUSA-N	497.064	5.303	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2Br)cc1	408760143	SHISWZFFXINCJL-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)cc1	408867528	KITYOXRLRZGTGA-CJLVFECKSA-N	489.369	5.269	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408868495	MTJSFETYEMZGCC-UHFFFAOYSA-N	492.600	6.375	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1	408891026	KBYSTDLPHJFGGZ-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1	408986666	SDWOXSPIUBCFQI-QGOAFFKASA-N	461.901	5.614	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)OC)ccc3Cl)C2=O)cc1	408987805	YJRWQFQAZKFFEX-XSFVSMFZSA-N	494.374	6.650	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)NC2=S)c1	409014415	PNVJHNPZLMOVGI-XDHOZWIPSA-N	481.371	5.157	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409056073	GCFRBLHVEQKMPL-JLPGSUDCSA-N	484.552	5.066	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409087233	XSIMLSJDSIXERD-XHPQRKPJSA-N	464.952	6.754	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409165086	SEVFXEQHJRNNJJ-JCGVRSQUSA-N	483.175	6.194	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)o1	409326612	CNJNVMKOAZSYNS-ODLFYWEKSA-N	498.969	5.153	10	40	JKCB	
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1	409365232	XQTBFFJXYAATCP-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)/C=C/c1ccc(N(C)C)cc1	2060035	XJMYBPFKOYFUHX-XDHOZWIPSA-N	496.632	6.977	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	2155253	DCXHUDGOYLHMAO-DKRHUIDYSA-N	466.622	5.059	10	40	JKCB	biogenic
O=C1C(=CNc2ccccc2Oc2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	3771428	BHIPEAFGWKMEDJ-UHFFFAOYSA-N	487.600	6.231	10	40	JKCB	
CCN(CC)CCCCNc1ccc(NCCCCN(CC)CC)c2c1C(=O)c1ccccc1C2=O	5012924	QHAAVSYJJKHSSX-UHFFFAOYSA-N	492.708	5.530	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cccc21	6143190	MZDYGVRCMFUBMF-UHFFFAOYSA-N	460.514	5.991	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(Cl)c2Cl)C1=O)=C\c1ccccc1	8820623	FYDUTGVUHWAMBZ-NEOBQEPSSA-N	463.411	5.780	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(Cl)cc1	12546935	NIYHVVYOVXSYLH-UHFFFAOYSA-N	497.035	5.196	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c1	13748170	QHZICGSPAJZEJZ-QJOMJCCJSA-N	458.587	5.394	10	40	JKCB	
C[C@@H](Oc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1)c1ccccc1	13786012	KQEHYYIPFHTDAE-UIDWNLACSA-N	451.551	6.131	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1	15011813	OGJMBEYDYKDMFW-HYARGMPZSA-N	452.000	6.320	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)N=C2S1	15945518	BYNUVRQAOZVTAV-XCOJNYNVSA-N	461.374	6.453	10	40	JKCB	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccc2Cl)cc1	16789150	DXMXXJBSSKHKGP-UHFFFAOYSA-N	451.935	5.282	10	40	JKCB	
C/C(N[C@H](C)C12CC3CC(CC(C3)C1)C2)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	18023752	OUPUVDJGDONLNT-YHWDUTPXSA-N	488.579	6.030	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	19997405	DJPBSKYZNHLQEO-KQHQIWRUSA-N	466.349	6.558	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	20168314	SZMKHYLMFCQDMN-ROUUACIJSA-N	463.640	5.974	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484884	RGTKZPYPEIKFRW-JJIBRWJFSA-N	477.476	5.640	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1	223552292	WBMALCMWMCSWBW-WQZUMXOESA-N	459.590	5.470	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224204710	SVLHOIUBKUDXRP-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224535456	UXRILWBVMKFMLF-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(Oc2ccc(N/C=C3/C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)cc1	408551998	QVKQSLCZCBIJEB-UYRXBGFRSA-N	481.936	5.324	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1ccc(Cl)c(Cl)c1	408601410	JREGYFQVLXGMFN-NVMNQCDNSA-N	468.333	6.937	10	40	JKCB	
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C1/C=C(c2ccc(-c3ccccc3)cc2)OC1=O	408724288	JPPSBGFBMCDSEZ-BYYHNAKLSA-N	468.508	6.813	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1	408764855	NLCVAFYVNSFVBI-PXLXIMEGSA-N	475.342	5.379	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2c(C)ccc3ccccc23)c1	408800194	NQDDKKXTXZQUCP-PCLIKHOPSA-N	492.531	5.402	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc(Cl)c1	408801045	SITZPTGVJRQLHO-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(F)cc1	408803871	UGKUWWPEDUPGHB-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(C)c(C)c1	408803966	BHCDLJFNEAGRFD-DEDYPNTBSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O	408806017	DTCDYCFVWUMGKC-LFVJCYFKSA-N	478.504	5.099	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409036884	BYMCVEXGACXDEV-SEEODLKFSA-N	454.395	5.374	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409062054	MQVGHAFSZRZFTR-MYYYXRDXSA-N	489.015	6.632	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c(C)c1	409237908	KHRIHGWHBMRMNO-CIAFOILYSA-N	497.542	5.561	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O	409346937	OVPWGOYFTMWSNM-OVCLIPMQSA-N	499.249	5.934	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccc2c(c1)OCO2	409349097	UKEPRNWCOTXSQA-SSDVNMTOSA-N	465.527	5.539	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)SC1=S	409375653	NNULGBJKHAMYMD-NDENLUEZSA-N	471.445	5.982	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N=C(S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	1274155	RVRHVDJADWODFL-HAHDFKILSA-N	485.996	6.143	10	40	JKCB	
CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1	9158303	XGORKVVNUHPGHE-INIZCTEOSA-N	451.519	5.150	10	40	JKCB	biogenic
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5cc(C)cc(C)c5)c4C)C(=O)N=C3S2)c1	9191685	FELMCWBUEKFCNN-ORNHTSQXSA-N	497.624	5.718	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S	9232391	PAFIGZFANZZTIX-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)SC(=S)N1c1ccccc1	9260884	ZIBUPZNGDUJBHX-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c(C)c1	9307124	YOZIMMQNEQIEMH-HZHRSRAPSA-N	465.578	5.138	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	9307848	UREXDEICIKTAQT-LECIVKJOSA-N	453.999	5.721	10	40	JKCB	
CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O	9805448	FEOXDZJQSCHDGD-YBEGLDIGSA-N	454.798	5.907	10	40	JKCB	
Cc1ccccc1OCCOc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1Cl	13894352	ZYRKBRJMBLISBX-GZTJUZNOSA-N	454.400	5.591	10	40	JKCB	
CCc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1	13942289	HLGBEWRAAQTAPG-QLYXXIJNSA-N	467.638	5.627	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	33914672	DNKQFVMKEKZXKS-ZNZIZOMTSA-N	496.006	6.389	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5Cl)c4C)C(=O)N=C3S2)c1	34736712	KRFRGCWBWSLCQA-ANYROYSUSA-N	473.989	5.723	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c1OC	58845746	ZKXKWOWVJOMLIZ-UNVFRBQDSA-N	476.598	5.640	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	58848031	PAMROSROVFFVEH-VVZHRXSXSA-N	481.017	6.284	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223465166	ALPHJRMNCGAKHE-AHKZPQOWSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)n1-c1ccccc1	224514919	KTZYUKHFMVNUSE-BJKOFHAPSA-N	489.442	6.120	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224601271	ICXMJMCSUWMUQS-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@H]1c1ccc(N(C)C)cc1	226780616	KYLDLKZGLGVYJR-SANMLTNESA-N	464.569	5.267	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(OC)c1	408632012	COLVUUYNCHABTQ-UNOMPAQXSA-N	458.971	5.198	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)c(OC)c1)N2	408736198	KWVMVRKMSKDCIT-IWHLBADBSA-N	455.554	6.277	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1C	408815222	GZFMHYOFLSKGHJ-ZVHZXABRSA-N	483.955	5.626	10	40	JKCB	
CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	408824821	HURRGTWMICLGEI-HZHRSRAPSA-N	490.943	5.373	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1Cc1cccc(F)c1	408864843	AINFVWALDKJTPZ-YBFXNURJSA-N	499.325	5.398	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2C)C1=O	408899986	QVULURYEQLIHDT-ZHZULCJRSA-N	493.357	5.366	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1	408900932	AFGHSUPGDUATPG-PXLXIMEGSA-N	476.579	5.119	10	40	JKCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)C1=O	409020618	RCUWBPHPFQSPME-IKMPRTQCSA-N	492.557	6.024	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409021692	UAMXTIJNAARPOS-ONUIUJJFSA-N	469.537	5.147	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S	409193166	DHKAQGCNLDZTHT-CXUHLZMHSA-N	460.943	5.017	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1	409329536	FKHNHNIDLAVYQK-BKUYFWCQSA-N	465.552	5.758	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccccc1F	409335230	ZNLUVIKHEQFVIV-YVLHZVERSA-N	450.343	6.798	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1	409340380	VZWJBZNXPPGTFH-BKUYFWCQSA-N	498.988	5.604	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1	2648816	MAOOGHQHUHHWNC-HHHXNRCGSA-N	498.554	5.521	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc(C)c1Cl	6162993	FFDXFRAWRARZKC-UHFFFAOYSA-N	467.871	6.176	10	40	JKCB	
Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	6193476	UITANCGXHSZJNN-UMFSSWHCSA-N	494.860	8.125	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2O)cc1	8769495	AGLDPNVGPVNATQ-SFQUDFHCSA-N	455.297	5.687	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccccc1O	8872149	PGFLIVVMXDCDAF-XMHGGMMESA-N	474.343	7.430	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9161217	BVWLGPMNLZZICO-MDSNLERGSA-N	495.395	5.463	10	40	JKCB	
CCN(CC)c1ccc([C@H]2N=C3Oc4cc(N(CC)CC)ccc4C=C3c3nc4ccccc4n32)cc1	9374812	XXAWIPHALNZOOE-LJAQVGFWSA-N	491.639	6.621	10	40	JKCB	
COc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O	10058973	HQSFEXHMGAEBCO-MGNBDDOMSA-N	465.413	5.805	10	40	JKCB	
CCOc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	13025241	JQXNNTWIWZDSQM-SANMLTNESA-N	475.589	5.191	10	40	JKCB	
CC(C)c1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc2c1=O	19792857	XFAPOIFYFUSGQY-UHFFFAOYSA-N	463.452	5.265	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	33323403	CTSOQBTTXREELK-YBEGLDIGSA-N	472.240	5.032	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1	35419622	LNMBXMNIMLSAAA-HAHDFKILSA-N	474.944	5.118	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)cc1	44086171	MLLJTDUJKPKTJL-UHFFFAOYSA-N	453.951	5.584	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1	106725608	YBEUDTSIGURVMR-XKZIYDEJSA-N	497.414	6.102	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(C)cc4)c(OC)c3)SC2=S)cc1	113830483	GNJMKTDMKKDNEB-HZHRSRAPSA-N	491.590	5.637	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c(C)c1	223313792	LFMIMTIRCCSWFZ-LNBJVWSJSA-N	474.674	5.566	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172531	BIBBEDNQGCLRPF-FTJBHMTQSA-N	499.596	5.583	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224334212	CDPBQSRODVWMAV-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1C	224370900	LEQNKAMFTIBNRL-LOYHVIPDSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(=O)O)c1	224435033	UGURFDQJCGUGFA-DQEYMECFSA-N	486.572	5.504	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224566144	HMLBAYODLXMCTQ-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C	224566791	PQAJPOOODMWOIB-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	408773322	JZZRGMMSUSVVEZ-HAHDFKILSA-N	490.987	5.629	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	408774073	OFFMUAAFAZGICC-YBFXNURJSA-N	484.408	5.541	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	408778832	MBQNVPRDBWMALJ-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3I)C2=O)cc1	408984260	GDGNHDFGCOFLOH-CAPFRKAQSA-N	493.344	6.161	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2sc3ccccc3c2Cl)cc1	408994673	HBNLKSRFMQPWLS-LTGZKZEYSA-N	458.970	6.788	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1	409140862	GJMLWUXJOUKDCD-JJIBRWJFSA-N	474.582	5.550	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409196161	XJEUFZNVZGDDIQ-KEBDBYFISA-N	477.800	7.295	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1cccc(Cl)c1Cl	409198512	BMVAFHUWCXTUDM-CJLVFECKSA-N	459.376	7.620	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409221188	MHYRSQKAYXKEDM-ZVHZXABRSA-N	490.390	6.398	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409326864	FMNZZNZYTIWHFJ-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)c([N+](=O)[O-])c1	409334859	XZNCONBSJAMYIZ-FYJGNVAPSA-N	481.555	5.335	10	40	JKCB	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409340386	WERMKZOEKQVMRL-WQRHYEAKSA-N	451.400	5.236	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl	409350865	SMGZQSXPQOQULH-LICLKQGHSA-N	482.410	5.650	10	40	JKCB	
CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)N(C(C)=O)c1ccccc1-2	2094869	HUXGUMWZYNQTEO-DEOSSOPVSA-N	463.607	5.331	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S	2200382	ZUDGUMPDNHDRJI-RGEXLXHISA-N	479.627	5.394	10	40	JKCB	
CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1	5949888	YQEQYDDKDZALRX-PKAZHMFMSA-N	453.586	6.076	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C)ccc4C)C3=O)o2)cc1	6599948	LQXZQDUOZLHNNE-LGUFXXKBSA-N	489.571	7.211	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)cc(CC)c4)c4ccccc34)C(=O)N=C2S1	8986436	FFTUQTIGNXHHSV-IYYHIDBJSA-N	485.613	5.620	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5cc(C)ccc5C)c4C)C(=O)N=C3S2)c1	9193099	FWHZSHXZQYYBCM-ZHXICNOMSA-N	497.624	5.718	10	40	JKCB	
O=C(COC(=O)c1ccccc1/N=N/c1ccc(O)cc1)Nc1c(Cl)cccc1C(F)(F)F	9467788	WJRQJDIQNWQJHS-ZQHSETAFSA-N	477.826	6.275	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c(Cl)nc3sccn23)c(C)n1-c1ccc(OC(F)F)cc1	10991654	SYLMWALJGAWYKE-UHFFFAOYSA-N	479.892	5.098	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	13286410	SVUMMRKVDLGJKE-ULJHMMPZSA-N	484.552	5.148	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14414429	UBHQRESBXWIJQB-UQQQWYQISA-N	455.510	5.360	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847123	WPMGKECHCNPQLP-SGIRGMQISA-N	450.535	5.462	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58847215	MMWXOFXTJIRZJP-XLNZFTOWSA-N	471.409	6.621	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1c1ccc(Br)cc1	59198273	KRCZUNCUSSVCAP-XSFVSMFZSA-N	477.314	5.535	10	40	JKCB	
C/C(NNc1nc2ccccc2s1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	95910917	AEOKBBMBQBVECW-GDNBJRDFSA-N	474.493	5.062	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208307774	AAPKFFXGWBMYKA-SDLXJUDFSA-N	461.631	5.247	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1	223607589	LSBJCQMCISSXGX-WWJLXRQJSA-N	489.616	5.561	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1	224302862	FULLJVFVDJCJJX-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1F	224367109	FGQUXZQHGNLBMI-WUFINQPMSA-N	484.644	6.929	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c1	260573426	YOLCMRJRKCUWSO-PZUDMAOCSA-N	481.980	5.127	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)S1	408813592	UROIINHUCPMTBJ-UHFFFAOYSA-N	451.797	5.240	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409057638	LMUUSZYWUCQJHV-UUYOSTAYSA-N	491.975	5.024	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409138267	ZGBFADNHFQWMFY-UDWIEESQSA-N	463.430	7.018	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1OC	409328370	TUPLXLCTAFDEKE-LICLKQGHSA-N	456.427	5.390	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1C	409387857	SIBPGACJVLHJKT-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2696801	RQAMSOGMQKNBCC-HLILLCKBSA-N	475.683	6.957	10	40	JKCB	
Cc1ccc2nc(-c3ccc(-n4c(C)ccc4C)cc3)cc(C(=O)OCC(=O)c3ccccc3)c2c1	4121887	BOHBHLZHWYPNIQ-UHFFFAOYSA-N	474.560	6.657	10	40	JKCB	
Nc1cccc(C(=O)Nc2ccc3c(O)c(/N=N/c4ccccc4)c(S(=O)(=O)O)cc3c2)c1	4821521	BCVMGCIFYYEUCX-CYYJNZCTSA-N	462.487	5.042	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c(OC)c1	8821454	GFOUOBCTHZHTEU-RGVLZGJSSA-N	492.405	6.676	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	8821511	RZAZVYANIOSLKV-PXLXIMEGSA-N	464.568	6.603	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	9192063	TVIAUIHJZPEJMA-QNCHGFICSA-N	468.026	6.111	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C\c3cc(C45CC6CC(CC(C6)C4)C5)ccc3O)SC2=S)cc1	9310517	JXDZCTFEOIDMRQ-BRJLIKDPSA-N	491.678	6.270	10	40	JKCB	
COc1cc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)ccc1O	9328636	DKFADJYGARCBKX-KAYWLYCHSA-N	495.623	5.814	10	40	JKCB	
COc1ccc(OCCOc2ccc(Cl)c(C)c2)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1	9659917	UJJYCDYZZQJVAB-JJIBRWJFSA-N	476.960	5.921	10	40	JKCB	
CCc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	13025245	JUMFWLCYDZPMCU-SANMLTNESA-N	459.590	5.355	10	40	JKCB	
Cc1ccc(S(=O)(=O)C(Cl)(/N=N/c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1	21487022	JYKQJHGCMVGOAF-OCOZRVBESA-N	497.425	5.838	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	33421976	RPLSJOTXGXPKDU-SMTYPRMSSA-N	451.571	5.823	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	33827214	FWQZTBYBJATJNO-YLOHPIGASA-N	497.624	5.718	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	59135312	NOZBIYAIDTWWLX-VXLYETTFSA-N	481.867	5.092	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222832919	PFQZKRTVFOQHHK-CLJLJLNGSA-N	461.679	5.716	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012765	FNOTWCAUENNPSR-IZLXSDGUSA-N	496.636	5.957	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224206615	GDJXNDCSNCPTCB-IAPPQJPRSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(C(=O)O)cc1	224605693	GHLIRIQBNDZQBD-DQEYMECFSA-N	484.581	5.070	10	40	JKCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1	225955913	PHSDEUXCPPOVKZ-UHFFFAOYSA-N	497.624	6.148	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	260562903	COEMZGGPDFEBKY-RVZJCZPVSA-N	481.980	5.127	10	40	JKCB	
CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1	408645242	ULYWMHZUUPIVKK-JOCHJYFZSA-N	450.538	6.186	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1OC	408741758	KYIDJRPBVSRVJL-RIYZIHGNSA-N	480.152	5.600	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c1	408786721	VDXYEOGZXSJQFZ-LFVJCYFKSA-N	471.626	5.531	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	408850474	NYZIQULKYWCSNL-QGOAFFKASA-N	483.376	5.404	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3)C2=O)cc1	408983375	BKWJYBBVGSBORZ-CAPFRKAQSA-N	493.344	6.161	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O	409332671	QWNRALPGYIXIHE-LGJNPRDNSA-N	489.706	7.186	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)c(Cl)cc2c2c1CCCC2	606440502	XZXGUROTISUQQY-KBFVSZBXSA-N	495.063	5.426	10	40	JKCB	biogenic
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1	9076556	SRCZHGKNTYNZNA-GIKSKMNSSA-N	455.558	5.582	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)cc1	13170473	WBNVGEHJAJEDAT-IJQXDZDCSA-N	499.665	6.167	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	13809955	KNUHYVZYKPWFOK-DZMCVATHSA-N	481.577	5.757	10	40	JKCB	
C/C(N[C@@H](C)C12CC3CC(CC(C3)C1)C2)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	18188551	OUPUVDJGDONLNT-LDAQAHQBSA-N	488.579	6.030	10	40	JKCB	
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc2ccccc12	33725234	QOPQCGNRTSUYIU-IWIPYMOSSA-N	484.939	5.542	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1Cl	58848210	GBFFVLLASNWJBB-BPYKYCOYSA-N	485.436	6.929	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58848982	NFMPJZNFQSNIFE-ATLLOTDBSA-N	477.542	5.231	10	40	JKCB	
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(Cl)c4)N=C3C)o2)c1	100278509	IIKZEUQZYCLITR-LDADJPATSA-N	455.297	5.846	10	40	JKCB	
Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1	106708879	UTSUBLYDXMZGKO-JJFYIABZSA-N	471.409	6.946	10	40	JKCB	
CCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	107595977	NATWXBRDEURFDT-GZTJUZNOSA-N	491.769	5.256	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223543590	IFGOXECTLRIJNE-XTEPFMGCSA-N	481.669	5.928	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223764290	HWHNDSKOZCUJBF-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224202238	MHVYUBGZIMTTHI-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1O	224434063	MCJBMDGKOJKYNG-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3Cl)c2)SC1=S	408578132	VWCCFUWRGRKHDI-NVMNQCDNSA-N	481.426	5.621	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1	408758092	GMLPZXYDRXIVJN-PXLXIMEGSA-N	462.347	5.055	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408873604	SXHSGRUZOGJTRX-UDWIEESQSA-N	481.335	5.259	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	409152800	BUGMZTMHVXEDLH-DYLHXGEVSA-N	452.450	8.421	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1	409215860	FWQSFDVJMJOMDH-DEDYPNTBSA-N	474.529	6.437	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c3ccccc32)c1	409230016	WLQUPWSWQRENIP-BUVRLJJBSA-N	479.605	5.446	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C	409230440	DGGCGUTYICOJEG-LPYMAVHISA-N	492.044	5.758	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1Br	1218144	FTSWBOBKRIYHCX-PTNGSMBKSA-N	467.435	5.131	10	40	JKCB	
O=c1cc(-c2cc3cc(Cl)ccc3oc2=O)c2ccc(O)c(CN3CCCCCC3)c2o1	2135907	IXPSNRWNPVNYOW-UHFFFAOYSA-N	451.906	5.301	10	40	JKCB	biogenic
Cc1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(Cl)c(Cl)c3)C(=O)N=C2O)cc1Cl	2361216	QGNZSVZJCSFFAQ-LICLKQGHSA-N	488.758	5.676	10	40	JKCB	
CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1	2843389	QZEZWZORPZVWTA-UYRXBGFRSA-N	461.008	5.568	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820169	UFHCZWZJLIBERQ-ZWVASEPXSA-N	465.084	5.893	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)SC1=S	8870008	OKOMLGCHYXYORC-OVCLIPMQSA-N	456.898	5.442	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	9232441	VQMCWMBILQOQAJ-SRZZPIQSSA-N	473.953	6.603	10	40	JKCB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc(I)c1	9311269	BFLVXGUFTHJQLJ-QGOAFFKASA-N	494.288	5.671	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2)SC(=S)N1Cc1ccco1	9849542	SCFFUNFVTLQDOP-STZFKDTASA-N	471.987	5.792	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	13602798	XNWQDUNYJJGQMG-HAHDFKILSA-N	482.026	6.724	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	13940902	PPEWVIDUHUXCPF-JCMHNJIXSA-N	497.619	5.177	10	40	JKCB	
COc1cc(/N=N/c2cc(Cc3ccc(N(C)C)cc3)c(N)cc2N(C)C)c2ncccc2c1	18058825	BTDQKVAGLWNJLK-NVQSTNCTSA-N	454.578	5.964	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	19996802	UJPVXNHZWFOIOF-VBQUMQFVSA-N	495.007	6.647	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	33745825	BODWPKXREOIMBR-HMCBYUHISA-N	480.037	6.255	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	41108033	FISWSFDHOBWAQY-IQGAPNPZSA-N	468.947	5.486	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)N1CCCCC1	44086215	HEGYDQSCFWZASW-UHFFFAOYSA-N	460.397	5.059	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58847911	SERRRAGMLDMWHM-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	58849987	GHTKJBRFDARIRU-YZUZCNPQSA-N	481.961	5.876	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl	95536316	ZDSTVSJNFJYYKH-XDHOZWIPSA-N	497.334	6.088	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cc(Cl)ccc1Cl	100524868	HYMMXXHVSLFTCE-LRDZBDLTSA-N	475.317	5.900	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)ccc1Br	106696117	SBHKERBTUBJLDP-UUYOSTAYSA-N	499.405	6.541	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1cccc2ccccc12	208677491	GDTPOYQVDGPUBS-ONUIUJJFSA-N	466.562	6.510	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351166	DUNJZTHMJVAEKL-LOSJGSFVSA-N	477.033	6.217	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224205084	XGAQJQOWWWTKPM-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C	224267191	SMGFLLVDJZJSFR-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C	224269256	IQGOKXYABTVKPY-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccn1	224360328	RWCHJOVMVSMOBZ-SVBPBHIXSA-N	467.642	6.185	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)c1	408804111	VXXZXMOGNJGAGT-LPYMAVHISA-N	460.917	5.202	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1cccc2ccccc12	408852898	XCRDKDVJJIXYLT-BUVRLJJBSA-N	496.494	5.233	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408867613	LYGUQIOPNOXPJD-VXLYETTFSA-N	469.299	5.390	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1	408934190	CVDBYVHVTHTUIG-HZHRSRAPSA-N	474.944	5.760	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)NC2=S)cc1	408966689	MZIFHEVCUSXALZ-XQNSMLJCSA-N	457.599	5.050	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)o2)c(Br)c1	408989686	VDMNIPXKWUGVDB-GZTJUZNOSA-N	499.748	5.646	10	40	JKCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409015846	BXNKRXZAJADHIY-PBFYJAPKSA-N	467.816	6.345	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2C)cc(C)c1Br	409135245	UADHVZGDQNQZCY-BKUYFWCQSA-N	497.483	6.879	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1O	409328019	PDNHKPLDBKGCBU-YBEGLDIGSA-N	450.379	5.268	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)SC2=S)cc1Cl	409341512	BKQKHMPHPWFBKH-LZYBPNLTSA-N	470.797	5.526	10	40	JKCB	
COc1ccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1	2260551	ALWXDXFRPHZHFT-UHFFFAOYSA-N	489.958	7.249	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(C(C)(C)C)cc4)c4ccccc34)C(=O)N=C2S1	5945860	IXMBSDMCTNZSPI-HGNJXLJLSA-N	484.625	6.185	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)cc1	8411410	QTQRCOZYZCBJJS-RLRFCYPDSA-N	459.600	5.326	10	40	JKCB	
O=C(Nc1ccccc1)Nc1n[nH]c(NC(=O)Nc2ccccc2)c1/N=N/c1ccc(Cl)cc1	8453283	WEHVVBPLXXDSKX-QVIHXGFCSA-N	474.912	6.767	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9274027	KTBYPKQRDXEMAA-STVRALQESA-N	498.568	5.173	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4ccc(Cl)c(C)c4)c4ccccc34)C(=O)N=C2S1	13770207	NUMLPKMCMXALLV-WUXVYIAASA-N	491.016	6.239	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccc(C)cc2)SC1=S	41108607	ZTHHREAGTQICRE-SXGWCWSVSA-N	488.439	5.291	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccc(F)cc1	59135222	FVDSBUWSCNWEGH-VXLYETTFSA-N	498.869	5.713	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1cccc(F)c1	59417987	GASOVZBQJAGRSZ-VCHYOVAHSA-N	460.895	6.053	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)cc1	96759178	WSQYTCHVMGYPOL-CYVLTUHYSA-N	480.955	5.856	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCCCOc1ccccc1	100270836	NITVZDBZKJVWGZ-XQNSMLJCSA-N	476.960	6.003	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1cccc(Cl)c1	113834379	LHUTWTPFSITAAU-WOJGMQOQSA-N	465.905	7.025	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223049878	PNAHDLIINAQWCX-SVBPBHIXSA-N	470.642	5.651	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223560010	RVUCYJTUMXTPDP-FEMWLQECSA-N	477.630	5.027	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	224341336	PUMFWIWPLVHYIA-JDXGNMNLSA-N	494.708	7.099	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O)Nc1cccc(Cl)c1	408572319	GDPFUDCJMFOYHA-XKZIYDEJSA-N	495.025	5.759	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	408783601	NLLYPEOHQOZXFC-YBFXNURJSA-N	484.339	5.076	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1	408902149	KXDFOTDNHDQQBW-UDWIEESQSA-N	469.429	6.262	10	40	JKCB	
Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2Br)cc1	408908158	BGQBNRTVHGLPOF-GZTJUZNOSA-N	499.411	5.333	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1Br	408987036	UZQULMXQRAYLHK-XMHGGMMESA-N	462.343	6.025	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)C(c2ccccc2)=NN1c1ccccc1	409088659	GGWRHOFCOCBZJG-ZXVVBBHZSA-N	464.952	6.754	10	40	JKCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1	409189861	JJXXCJRIPSNZCG-UYRXBGFRSA-N	494.981	5.021	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1	409213945	WMSSIJPCCSXLHL-NHDPSOOVSA-N	472.994	6.301	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)NC1=S	409221254	NNPOSUKUFXRKSG-SFQUDFHCSA-N	454.960	5.224	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1Br	409302193	HWSVOTBLJNTXEU-ZROIWOOFSA-N	450.691	5.119	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccccc1F	409344561	HBAQLTOSIYNIOI-ZVHZXABRSA-N	476.573	6.682	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)c(Cl)c2)N3)c(C)c1	6038800	SMXTYYBUVJOOSG-GOHWNWGWSA-N	499.463	7.238	10	40	JKCB	
COc1ccccc1OCCCOc1c(Cl)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC	9137295	AKHJKSHHNUDBLG-CPNJWEJPSA-N	480.007	5.036	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)NC1=O	9144519	PRILKHFSIKOYED-LPXFMOJISA-N	482.454	6.454	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9193075	NPIORKJWNNZGOJ-ZYAHMJKCSA-N	467.476	5.429	10	40	JKCB	
Cn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c2ccccc21	9309188	HLUOSAMOSMCAEV-IUXPMGMMSA-N	462.383	5.031	10	40	JKCB	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1	9463840	SJMKDSSMXBBWOU-NCELDCMTSA-N	485.653	5.157	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	14009569	SOUQRQFRKAJYAS-YUMHPJSZSA-N	484.596	5.592	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl	18181288	GCHNFRSJEWRHBR-UNOMPAQXSA-N	497.334	5.073	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(F)cc23)cc1	20288845	IYXUBFGRUODWCV-ONUIUJJFSA-N	486.522	5.312	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12	31948297	FFVPGXIDCLHKRW-QDLOHUEYSA-N	478.986	6.110	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1Cl	59135344	UBRUURRTTIPEMW-VCHYOVAHSA-N	472.303	6.047	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1C	59198228	UUFZOFYTDPDWIV-FYJGNVAPSA-N	492.373	5.980	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)S2)cc1	108118576	VEJFLXDDDKVCNV-HYARGMPZSA-N	477.973	5.748	10	40	JKCB	
Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	166365690	LCEKAMGLEZQQMU-UHFFFAOYSA-N	465.372	7.275	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc2[C@H](C)CC1(C)C	208311694	XVEXKGSMCZGMNT-YSUUHWHMSA-N	454.039	6.843	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(Cl)c1	223226011	JZTGXIUWPMQKRU-DNQXCXABSA-N	468.070	5.067	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223312996	CHLXRZPYEXQHPC-BBVWWWHTSA-N	460.647	5.257	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223543484	IFGOXECTLRIJNE-IXCJQBJRSA-N	481.669	5.928	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224233755	HAAVSUIQSIDPHT-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224292842	JMUQRXDWHHRXMP-CLJLJLNGSA-N	453.615	5.678	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C	224565371	XKTNOOFGEULADD-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1ccc(NC(=O)c2cc(O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c3ccccc23)c(C)c1	299888455	JZQONTDEAKNNEP-UHFFFAOYSA-N	491.525	5.782	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2Cl)cc1	408780494	CLHLQKQVOXFSHX-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Cc2cc(C)cc(C)c2)c1	408877728	YDAYQTYPCFEWPK-ZVHZXABRSA-N	488.971	5.531	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1O	409052576	KOPNSFXFBDSFQK-NVMNQCDNSA-N	464.406	5.263	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@H]2C=CC[C@@H]21	409173910	LBCJHNGRKKZDGO-OAVHHTNSSA-N	458.705	6.956	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409183082	RDAKTACFADSADP-RQZCQDPDSA-N	484.788	7.452	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)NC2=S)cc1Cl	409225811	LLNHWTVXCWDMOQ-KEBDBYFISA-N	498.435	5.849	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1	409229352	NUJRSFPBYGBZQO-LDADJPATSA-N	468.987	5.532	10	40	JKCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O	409348346	SGHSDJJTMYGGFB-WOJGMQOQSA-N	492.416	5.105	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21	2232392	NNYVMYGVMWSWGL-ULJHMMPZSA-N	497.526	5.224	10	40	JKCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	6065429	YWFDIVHUPYKBDE-HZHRSRAPSA-N	495.004	5.476	10	40	JKCB	
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(N)c(C(=O)OC4CCCCC4)sc3n2)cc1	6246449	IXQOTOPAKFZYAH-UHFFFAOYSA-N	477.029	7.664	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820477	RCAMUKRBDJKKDL-ONBHANDSSA-N	464.656	5.661	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc6ccccc56)c4C)C(=O)N=C3S2)c1	9282661	ZVIWNGMBCORMHC-GRMHFLANSA-N	489.604	6.223	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(CC)cc4)c3C)C(=O)N=C2S1	9291824	VPAANKAYLMFEET-CLKGNMONSA-N	461.635	6.246	10	40	JKCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	9293425	SLLPUBHCJBGOCQ-RKQIHDTFSA-N	464.403	5.341	10	40	JKCB	
CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@@H]1C	9309909	UJSGOICYYICMBC-MPPVQRIUSA-N	451.699	6.178	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OC(=O)c1ccc(Cl)cc1	9553920	JFBMQWAFSCMSMF-XSBGCYDXSA-N	496.976	5.233	10	40	JKCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)cc2)c1	9805535	IZYATFJIVXTFBQ-RQFVJUFOSA-N	486.578	5.138	10	40	JKCB	
COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2cc(C)ccc2C)C1=O	12631060	ZLZCILXJOREZOJ-UQQQWYQISA-N	491.634	6.176	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Br)c1O	16194986	LPBLHDAQQZVGPK-AUWJEWJLSA-N	490.322	5.588	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Br)cc4)ccc3o2)cc1	16678557	WDWSKFNMCXVFBD-UHFFFAOYSA-N	494.389	6.121	10	40	JKCB	
CC[C@H](C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1)c1ccccc1	19823113	CLBYOZYJQZJHLJ-UBUGFGJGSA-N	484.537	5.458	10	40	JKCB	
CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(CC)C2=O)c1	27527898	WARGBALJYSOWQY-STZFKDTASA-N	462.036	5.890	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)o1	41076264	BZPFTOHMICXQRT-HRXHUYTNSA-N	471.498	5.025	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	41083069	YWKDMFSYNSWMQH-QLSUFNALSA-N	484.025	5.956	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1	58848705	JITCBZNCTPCXLW-DFIYOIEZSA-N	450.535	5.462	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	59417952	WBIACDOFUOBXLB-NVNXTCNLSA-N	499.249	5.622	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)SC2=S)cc1	59536150	QHUHTIIFKVREER-ZHZULCJRSA-N	453.610	6.544	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(C)c1	100525088	QBSFJGZXEIFEEG-IUBFCHALSA-N	454.353	5.756	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1O	224015249	NFFDNTNVHZVSEN-IZZNHLLZSA-N	484.581	5.101	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224303291	GYWHTIIPJKPNJH-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260569553	QXYWLBPLKDIIAC-UEIZDATPSA-N	491.657	5.336	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C	260912632	FVYTYQNCCDGLKZ-IZZNHLLZSA-N	470.642	5.899	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	260927173	YRWJWURSTQTXNP-RPBOFIJWSA-N	491.060	6.249	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)cc1	408634696	WOICZHSXKZONNO-UNOMPAQXSA-N	459.955	5.463	10	40	JKCB	
C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O	408801521	ULAZDHJQMMYFPW-PDMLIXRGSA-N	499.498	6.569	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)C1=O	408869011	OTHNWYZYNMOSSI-MOSHPQCFSA-N	479.363	5.813	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)c1	408886277	JLTKHVBNRKRVNZ-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC(=S)N1C[C@H]1CCCO1	409085155	NUGWMXGLCHHDGG-ZLYHGVDXSA-N	473.925	5.999	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12	409100492	OBRPPHJYQNVNSY-FOWTUZBSSA-N	455.297	5.212	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4OCC)C3=O)c2C)cc1	409230886	HAORPWYEVAKVFB-HKOYGPOVSA-N	485.584	5.502	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC(C)C	409236080	QRRBGMVEOSYQSE-LZYBPNLTSA-N	493.412	5.319	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(=O)OC	409329401	FPJLIDUFPZKUNT-NVMNQCDNSA-N	498.409	5.350	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409377798	JYUSZABEJHUNIX-PJQLUOCWSA-N	479.322	5.414	10	40	JKCB	
COc1cccc(NCc2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)c1OC	2296587	FAKHLZOSBBTRFE-UHFFFAOYSA-N	477.520	6.412	10	40	JKCB	
C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(OC(F)(F)F)cc3)c2C1	2561595	HBIZVGSJUREYCJ-CYBMUJFWSA-N	464.281	6.570	10	40	JKCB	
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2)cc1	9288917	AJYXMSYQSGNDCT-SAPNQHFASA-N	452.562	5.152	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16000940	SWXWNVVEFFFFBP-GSDHBNRESA-N	488.568	5.459	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1)c1cccc2ccccc12	27015516	MCHOAENZCCHVIV-QFVADWCQSA-N	475.591	5.439	10	40	JKCB	
O=C(O)c1cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)ccc1OCc1ccccc1	33316797	KXTFCKOVGDISOV-AQTBWJFISA-N	476.872	5.124	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1	34107147	QXBUMRWXYHHWKT-XQNSMLJCSA-N	453.498	5.231	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)(C)C	34696602	WQZGHARPCDSAOB-PTNGSMBKSA-N	493.785	5.140	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)c(OC)c1	35043098	CFICGCWNYOQVLQ-MTJSOVHGSA-N	465.487	5.263	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847694	LGNDRJDELBXQMF-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
O=C1c2c(O)ccc(Nc3ccc(/N=N\c4ccccc4)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21	104113174	OUOHWIKRLUYCTJ-ZIADKAODSA-N	480.436	5.940	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1Br	106733647	CKHRRSSEBOFNBI-MFOYZWKCSA-N	469.763	5.544	10	40	JKCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	112297098	LDVHMAJUYYWPMZ-XHPQRKPJSA-N	466.610	6.105	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc21	208452379	TYAQWZUTXBHHBM-UDWIEESQSA-N	494.389	5.056	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(C)n1-c1ccc(Cl)cc1	215003218	AKJLZQWWGDGFTH-CIAFOILYSA-N	467.934	5.892	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223863245	LLUMTUATTPOJLQ-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224241007	DFRFKBURIWQRCQ-CLJLJLNGSA-N	453.615	5.678	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)SC2=S)cc1Cl	408536390	ZGVKHZMXTANWMW-XKZIYDEJSA-N	484.067	7.214	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1	408760264	VPRCERILHQIZLY-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Cc1ccccc1F	408873644	UKPGSIWVEXCZAO-RGVLZGJSSA-N	478.907	5.053	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	408895783	LWFNTSJMALMSRX-LPYMAVHISA-N	460.917	5.202	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O	409017026	DECKVXDEFCLZGP-QGOAFFKASA-N	468.987	5.782	10	40	JKCB	
CCOc1cc(OCC)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Br	409050857	BHTLGQWTFBZBEJ-JAIQZWGSSA-N	492.460	5.956	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409098737	PBNNQLSPFGDQOC-CPNJWEJPSA-N	497.382	5.133	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)cc1	409232860	SOSWURDQYSOOLI-ZVHZXABRSA-N	489.597	5.395	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)NC1=S	409253545	ZNPZYCKFKMSILT-KGENOOAVSA-N	485.996	5.483	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	409368214	UTWWGIJNBPEFND-GRALHKOYSA-N	464.399	5.878	10	40	JKCB	
Cn1c(/C=C/C=c2c3cccc4cccc(c43)n2C)c2[s+]c(-c3ccccc3)c(=O)n-2c2ccccc21	409415798	RPBZJEYZJDSOIJ-QJXJUMHVSA-N	498.631	6.634	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1	1340142	XYJAVPSBCIWKKW-HSZRJFAPSA-N	472.098	6.977	10	40	JKCB	
Cc1cccc(-n2c(-c3ccccc3)c3c(c2-c2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)c1	1780802	DDUDFFVVKZHLLA-UHFFFAOYSA-N	473.959	7.549	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1	2247116	GGJWVBYIQXIOLJ-ZHZULCJRSA-N	495.651	5.327	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)C1	8788925	YLIOVEBMEADVCA-CQSZACIVSA-N	451.906	5.157	10	40	JKCB	biogenic
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9290670	GDDOUVXEPXFGNO-MBVGAYPFSA-N	457.534	5.095	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	9291537	PYYYDVQFIWQJAY-UGIGCIEISA-N	461.635	6.301	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccccc1	12377936	SXVFCEJCHZRRCI-UCQKPKSFSA-N	482.026	6.329	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1	15930745	HTYCNHKUSPZBPS-OEAKJJBVSA-N	456.498	5.169	10	40	JKCB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/C(=N)N2C(SCc3ccccc3)=NSC2=NC1=O	41076720	UROHWAUKOYZNPE-QDLOHUEYSA-N	493.017	5.344	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)c1	58849349	NRKZNPGDTLNNCU-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cccc(Br)c1	59136178	WWPCTYDNLZUDJB-WOJGMQOQSA-N	498.377	5.667	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c1	106723714	BDBANKIFMHXCTR-ODLFYWEKSA-N	484.327	5.644	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1C(F)(F)F	222918266	LFTUYVAOLGXIBW-XZOQPEGZSA-N	472.580	6.136	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c([N+](=O)[O-])c1	222926223	UWKMOMOOUQCPCB-DNQXCXABSA-N	479.606	5.034	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	223054274	DOBBOMLDYGXAGL-DHIUTWEWSA-N	499.478	5.261	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	223083029	IKTKZZKHPVYXBP-JWQCQUIFSA-N	498.618	6.813	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	223100961	WFOPEKFJVZDWAV-RPBOFIJWSA-N	499.511	7.101	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)nc1	223865614	SDZYGAQXOZZMGR-JWQCQUIFSA-N	455.587	5.075	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224837426	XVLOTEWUKONBJS-VSGBNLITSA-N	498.652	5.992	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(O)cc1	225345291	UVJNEFXTYUUVMZ-NSOVKSMOSA-N	498.652	6.159	10	40	JKCB	
Cn1c2ccccc2c2ccc(CC(=O)N(CC(=O)O)Cc3cccc(C(F)(F)F)c3)cc21	257239238	HOOBMUSQNDJVCL-UHFFFAOYSA-N	454.448	5.006	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)SC2=S)cc1	408576506	VDTYRHFXUKOVKU-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccc(Br)cc2)C1=O	408756719	SRSRQTAJKKEDCQ-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(Br)c2)cc1	408758467	KLHFLWHHFNJITG-FYJGNVAPSA-N	451.751	6.245	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2F)N1c1cccc(Br)c1	408766144	PGIZTYMOBXDASE-UDWIEESQSA-N	455.714	6.076	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C1=O	408808113	FBDFWTHPYWXBOY-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1	408818878	YQRYUBQVAUAXTA-UHFFFAOYSA-N	451.015	6.436	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(C)ccc4C)C3=O)o2)cc1	408984127	FCMATQYKQMUULG-XIEYBQDHSA-N	475.544	6.821	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)C=C2c2ccccc2)c1	408986996	UHMCWTIXDPZTIX-HKOYGPOVSA-N	491.543	6.603	10	40	JKCB	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409004013	WCWRHUOTZITGML-LYEHBBOLSA-N	456.546	6.403	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC(=S)N1C[C@H]1CCCO1	409080040	CZPYYFFGNDDARC-CNJGYECJSA-N	490.444	5.408	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC1=S	409129629	VDIVXHVZWQCZBT-JAIQZWGSSA-N	487.444	5.300	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409136306	SHXOJWHENDXEHU-RQZCQDPDSA-N	469.788	5.193	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)SC2=S)c(Cl)c1	409145816	QBGCVSWULWDWMB-ODLFYWEKSA-N	461.008	5.229	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)NC1CCCC1	409147146	VGTFVTBMXVKWEY-HMAPJEAMSA-N	461.612	5.106	10	40	JKCB	
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc(F)c(Cl)c1	409181563	CPBWVQOZWACDDR-BNCCVWRVSA-N	467.772	6.129	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC1=S	409197858	QHEWYCCDJFVDPQ-QRVIBDJDSA-N	478.042	6.299	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S	409206143	HTFXSAFEEWWRRG-FYJGNVAPSA-N	455.004	5.875	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	680481	FLPOBPLAKGBVLP-XYGWBWBKSA-N	456.542	5.288	10	40	JKCB	
COc1ccc(Nc2cc(N(C)Cc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2237837	CVZWQRQTHAFDKX-UHFFFAOYSA-N	461.521	6.428	10	40	JKCB	
O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cc(Cl)ccc1Cl	8438975	VYYPZSJBLMVTTB-UHFFFAOYSA-N	483.423	6.261	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Br	8872230	ZJMJFQOASDQZGM-XDHOZWIPSA-N	491.341	6.146	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccc(F)cc4)c4ccc(C)cc34)C(=O)N=C2S1	9762963	NRFXLGKHADTYIK-VSNPKZGJSA-N	459.550	5.475	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3cccc(F)c3)C(=O)N=C2O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	14010709	XKRQIIFYWDERTH-OCKHKDLRSA-N	481.867	5.092	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c1	20037516	TWZZPVOOPKHZEB-UFSNQDPQSA-N	484.581	5.416	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(F)c2)cc1	20289080	QUDRUNCMDLIGSR-HMAPJEAMSA-N	453.876	5.764	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)c(OC)c2)SC1=S	26967597	LUUMIZUKMPKEBE-NCOURPRESA-N	486.442	5.413	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1Br	33155005	ZQEGHNCHERFCFM-CJLVFECKSA-N	482.377	7.082	10	40	JKCB	
COc1ccccc1/C=C1\C(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C1O	33398452	HIQRZYUCPXINKI-ZHZULCJRSA-N	462.889	5.434	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc([C@@H](C)CC)cc1	33430149	PIJNLKLANDJCMO-SNFPTOCBSA-N	485.671	6.278	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1	41108288	FUMWJVFAZJZNLI-VZKFJVGXSA-N	475.961	5.137	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)c1	58848803	XPPLSIWZRSDDCN-XXAUWVGASA-N	492.597	5.340	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cccc2ccccc12	59135950	VIEHDWYSRLYYEE-RCCKNPSSSA-N	469.541	6.058	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)cc1	100525097	HVJQAUZCMCXXCG-FTGFMQHASA-N	454.353	5.756	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1	102648520	LJSRTWGUOOWKCK-VIZRJVHBSA-N	499.596	5.109	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc2ccccc12	223532952	BHDDAGXSYCHNHE-URLMMPGGSA-N	489.648	6.210	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172208	ZLCXHNCCEJUNEM-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(F)c1	224367291	HNIFWIICKOXMNA-WUFINQPMSA-N	484.644	6.929	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224536120	GYLVVUPHCIMJLY-RRPNLBNLSA-N	498.608	5.404	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225349133	DMWRAPSQYDDEQU-WUFINQPMSA-N	497.668	6.157	10	40	JKCB	
C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCCC2)cc1	225664252	JSOSKTOYSJPIGM-OAQYLSRUSA-N	461.700	7.017	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c(C)c1	260569286	OZCYQYNLTUBLDM-RXULLKCLSA-N	489.685	5.944	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21	260851250	KWNOBHLNDRQVMS-RRPNLBNLSA-N	497.668	5.325	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	408575292	NQTGTTPBPZBWIZ-HMAPJEAMSA-N	492.597	5.866	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1	408766201	ZYOAZCGRCJJHCU-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Br)cc2)cc1	408840460	BYCMPMMCNBNFTO-PXLXIMEGSA-N	492.329	5.591	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1	408934163	CRGZKUURLBNNKN-NDENLUEZSA-N	467.308	5.239	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1	408964494	CRAIAPUQYFZCCV-UCQKPKSFSA-N	478.545	5.646	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	409038155	ZQRDNXHQFUOWOV-OCKHKDLRSA-N	452.428	6.430	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	409048991	VJSBNQQWYWTGBS-OQLLNIDSSA-N	453.709	5.102	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)S1	409083052	USTJQAFUCOPUIX-FRKPEAEDSA-N	455.750	5.332	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CCCc3ccccc3)C2=O)ccc1OCc1ccccc1F	409145810	QCUXGSOJQYSVPB-RUZDIDTESA-N	495.641	5.818	10	40	JKCB	
Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccc(I)c1	409162552	XASDVFUFSBCXJL-HXUWFJFHSA-N	459.356	5.396	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ccccc2c1	409199473	CZBKCAMAEIWLNR-ZVHZXABRSA-N	458.970	7.142	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(Br)c1	1180805	MVMMQTOOCOTQAP-GZTJUZNOSA-N	495.851	5.723	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	8819531	OBEWLAJTAGQSKN-ZHZULCJRSA-N	482.627	5.019	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	9291692	GZOPDQFOXKJZOA-YICNLQCZSA-N	475.599	5.026	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1	9659637	SFJMFVPHZKCGCU-QFOSJIQNSA-N	476.602	5.571	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1	13165703	BYSBWMZISPUOLM-PHNMUWTHSA-N	458.974	6.052	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C	16700652	ADNBPPLQADBJOR-VLDJDNEVSA-N	491.638	5.237	10	40	JKCB	
CC(C)c1ccc2c(c1)[C@H](N1CCN(CCOc3ccc(F)cc3)CC1)Cc1ccc(F)cc1S2	19370890	FZQUOGKQOBDCFB-HHHXNRCGSA-N	494.651	6.533	10	40	JKCB	
CCCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1	19793909	CCQGLQKIDSHUCD-UHFFFAOYSA-N	475.507	6.638	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1F	40007094	DMBVGVVNXOEJSL-XHPQRKPJSA-N	492.550	6.638	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847490	UPDGVUBNNYDUPC-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccc(Cl)cc1Cl	70453913	NNQQHTKRBPQOOW-UHFFFAOYSA-N	451.353	7.270	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)c(Cl)c3)C(=N)N12	103604883	RRWCFGBDIGWYIU-XYSYLGEOSA-N	467.978	5.582	10	40	JKCB	
Cc1ccc(N[C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccc(N(C)C)cc2)cc1	104827682	AXUBRCHSXRUNBT-QHCPKHFHSA-N	455.558	5.045	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21	208218517	CFKOCZQEAZINQG-OFNOZLENSA-N	467.566	5.223	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	222965353	SICIRBPHZLNGRL-PKTZIBPZSA-N	483.479	6.024	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(Cl)cc1	223226277	TWUNRCCZWRCVIQ-DNQXCXABSA-N	468.070	5.067	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1Cl	223620070	XJXGPCCWAPISRZ-VXKWHMMOSA-N	475.445	5.151	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223972033	CWAZYZCQUAIBCT-KAYWLYCHSA-N	481.625	5.625	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c(C)c1	224272123	IIRHUOIVNYBAHV-DGPALRBDSA-N	494.708	7.208	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(Cl)ccc1O	224427158	ZJQFZDMGVGBOBN-DQEYMECFSA-N	493.007	6.164	10	40	JKCB	
O=C1N(c2ccccc2)N(c2ccccc2N=Nc2ccccc2)C1(c1ccccc1)c1ccccc1	245238863	BSRDKFMQOMLMSE-UHFFFAOYSA-N	480.571	7.814	10	40	JKCB	
CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1	408576002	PFCVFRGSCHDDMP-KQWNVCNZSA-N	474.607	5.672	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(Br)c3)SC2=S)c1	408600740	FTOSRUMFUPXAIL-ODLFYWEKSA-N	462.434	6.198	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(Cl)c(Cl)c1	408634950	VQSDXOAHKZVZLD-JMIUGGIZSA-N	458.370	6.495	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1ccc(O)cc1	408757826	CSSYAKKETWUWOM-DEDYPNTBSA-N	453.723	5.643	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)cc1	408781914	FQMIRBGPFIZHOI-LFVJCYFKSA-N	487.625	5.232	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408808742	FXDWOQZXHUSSCW-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@H]4C)C3=O)c2C)cc1C	408814503	VSERGCUIAJINKA-FXFCCYRUSA-N	498.716	7.765	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(OCc3ccccc3)cc2)N1	408861472	BCQVXZOTRPVVCS-OXYPMYLPSA-N	483.567	6.868	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1cc(C)cc(C)c1	408879439	DLJNJPUFSONXQO-JLPGSUDCSA-N	498.579	5.510	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Cl	409014846	QIIKFMNQSAFKRD-GFQQVXNGSA-N	493.810	5.111	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409062395	SYUMARMKTUMUSH-JLPGSUDCSA-N	470.569	5.284	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)SC2=S)cc1	409202930	UJTNYSVDNHAYQW-KOEQRZSOSA-N	486.618	6.135	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409212920	RTUJBXFGXHJMTL-DEDYPNTBSA-N	485.587	5.715	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)cc1Cl	409237396	UGNIDHHJWVSELR-UYRXBGFRSA-N	464.999	5.631	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1	409352377	YOYHJLWOJLXPIU-UDWIEESQSA-N	457.983	5.170	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(Br)cc1O	1104046	FUMFIYIIJIJKSW-IUXPMGMMSA-N	468.369	5.094	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(OC(F)F)cc1	3308631	XZJWIDPVFFWGCE-LBPRGKRZSA-N	474.455	5.206	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	9884802	JEXVXDYPWUIJJY-NCPSJORJSA-N	488.439	5.661	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccccc3Cl)C2=O)cc1	13660576	ILWTXUSDLMJJND-LSOGNMMWSA-N	491.975	5.400	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)SC2=S)cc1	16283248	LFGIKAAQEKWJGI-NDENLUEZSA-N	452.513	5.578	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3/SC(=S)NC3=O)c2-c2ccccc2)cc1	16311372	FNDRKCQTLIHLAU-JJIBRWJFSA-N	452.604	6.609	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C	27017821	JYYBKDBAQIPXHJ-AHYWOOIGSA-N	472.415	5.023	10	40	JKCB	
CCOc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1	35623024	GANHNGTUQSAUAP-NRFANRHFSA-N	486.409	7.218	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	58845635	GVYCOBSXJAMILD-GLDPYIMESA-N	470.516	6.333	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847506	CTTBZZWHWOLYFK-YZUZCNPQSA-N	454.954	6.106	10	40	JKCB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]12	59418665	MBEVHRDJRZGVBW-FQYZCCKISA-N	497.554	6.242	10	40	JKCB	
Cc1ccc(Cl)cc1NC1=NC(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)S1	208238201	IOGUOZCUQDETIS-DGKJUAPTSA-N	474.457	7.106	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2C(C)=CC1(C)C	208521074	QTJDYCANNDDWEH-YBFXNURJSA-N	498.410	5.990	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(=O)O	223386812	JNHSNBMVLXJMSH-CLJLJLNGSA-N	482.609	5.360	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N(C)C)cc1	223499813	WRCDQASSTCNECD-RRPNLBNLSA-N	482.657	5.123	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224304998	TVLHKTGRKQJNKW-VMPREFPWSA-N	480.681	6.900	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224335672	KRBQTUGRRRXUKN-SVBPBHIXSA-N	487.072	6.882	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(F)cc2)c1C	224566645	PQAJPOOODMWOIB-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)ccc1F	224904796	GCDOATFWECGTAW-DQEYMECFSA-N	471.605	5.817	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)c(C)c1	408819944	ZNQJOOKUYYPRMP-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1cccc(F)c1	408883058	QHXCCXWZFXFTOI-BUVRLJJBSA-N	472.516	5.098	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1C	408892754	CFMYRESDTXWXFH-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1c(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1	408901487	FXXIKHWOERJKIF-CPNJWEJPSA-N	469.429	6.262	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(C(=O)OC)=C2C)cc1	409062255	QUMPQRCEMSJAEF-UQQQWYQISA-N	470.569	5.678	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(C)n1-c1ccc(C2CCCCC2)cc1	409126356	OOQPPVNUPRKTLF-DIBXZPPDSA-N	469.654	6.746	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409177681	BYDYGPJMSLLWCR-VCHYOVAHSA-N	460.895	6.053	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O	409233353	VFZSUFBAFOIFDU-GDNBJRDFSA-N	475.715	5.882	10	40	JKCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SC1=S	409333245	RMENVYYYBCJBGQ-SXGWCWSVSA-N	454.798	5.513	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1	409340017	ORQMXGKYBUOFPL-KGENOOAVSA-N	464.568	5.205	10	40	JKCB	
CC(C)n1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21	409341944	CLOVXJIYQKVORU-YBFXNURJSA-N	457.418	6.391	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1	409349927	WOZSXBLLVDMGHJ-HYARGMPZSA-N	478.570	5.557	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)NC2=S)cc1	409370365	PQWXTFXEFICOCN-PXLXIMEGSA-N	476.985	5.313	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3cc(Cl)ccc3OCc3ccccc3F)C(=O)N=C2S1	8452953	SBSVOAGFBLYXIA-IXNLWNGPSA-N	456.930	5.333	10	40	JKCB	
COc1cc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)o2)cc(OC)c1OC	9283846	PMINOBNDEJETLO-UHFFFAOYSA-N	479.558	5.145	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)cc1C	9293246	FIJRAMAQQZYUSO-WNGCWRAYSA-N	499.665	6.221	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(O)=NC1=S	13799576	XIFQFLZCEOOSAS-PXLXIMEGSA-N	494.576	5.260	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c1	15162713	ALELWXCCPCDDGZ-XSFVSMFZSA-N	460.327	5.707	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16007498	SOUDAMGPZWSNBN-VXNXHJTFSA-N	485.967	5.982	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)c1	19793121	WUDLARXLZAMPJG-UHFFFAOYSA-N	461.480	6.158	10	40	JKCB	
CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Br)cc1	20032511	BPDBXLGAVCOSTP-LCQIMXFNSA-N	498.402	5.246	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(Cc3cccs3)=NN12	33334472	REOWCVYRNGKKCJ-CPWDNUMFSA-N	452.948	5.523	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccc(F)cc1	59135104	DDANLRWFYRXDEH-DEDYPNTBSA-N	450.853	5.565	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(Br)c1OC(C)C	59861224	MIHDLLVMVDJCGP-CXUHLZMHSA-N	487.350	5.368	10	40	JKCB	
CC(C)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C[C@H](c1cc(Cl)ccc1O)N2	65298000	JPHXQEIDGIFACZ-OAQYLSRUSA-N	476.846	5.532	10	40	JKCB	biogenic
Cc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)c(C)c1	65298051	CNAGFGFCTVNPBO-HHHXNRCGSA-N	474.048	6.178	10	40	JKCB	biogenic
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(Nc4ccc(Cl)cc4)=NC3=O)cc2)cc1	108110535	IXAQNUINFWBGRR-KGENOOAVSA-N	484.986	5.499	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222962918	UYVVPNADPLKGBM-GOTSBHOMSA-N	472.580	6.281	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(F)cc1	223535796	IORRAOMOXLBXNU-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(O)cc1	224870839	AGGXVMUDBIFLAC-JWQCQUIFSA-N	491.016	5.731	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC(=S)N1c1ccccc1	408726114	PWRBMUAQHNDLAW-FNCMLCAZSA-N	485.512	7.232	10	40	JKCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1OC(C)C	408879593	BXBTWGIMQGMASF-UHFFFAOYSA-N	472.566	5.231	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1C	408959763	FKKWICLRPZIVDQ-HAHDFKILSA-N	473.598	5.640	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC1=S	409133144	MQZRNXIKLZHTTM-LSCVHKIXSA-N	461.381	5.422	10	40	JKCB	
C[C@H](C(=O)O)n1ccc2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)ccc21	409195150	PRVSZYPKZRQGCS-GOSISDBHSA-N	495.560	5.035	10	40	JKCB	
CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC	409199804	DMZVLUOAALHCRW-GIJQJNRQSA-N	498.409	5.350	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c1	409242310	QLRAMXGVPDHZCR-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1Cc1ccccc1	409342699	FDBWQQIAMGZILS-ODLFYWEKSA-N	456.932	5.910	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(O)=NC2=S)cc1	2156399	NDIDJYXJNALHID-XSFVSMFZSA-N	451.935	5.201	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)cc1	2257958	BBSYVSWBOPKSQH-QJOMJCCJSA-N	490.654	5.344	10	40	JKCB	
CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)c1C	13141904	LVAKWTGVXQZRRO-UHFFFAOYSA-N	456.542	5.561	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	16694454	NMXGGCPHTMLFRH-XNTDXEJSSA-N	476.703	6.621	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)cc1	33739100	QTQRCOZYZCBJJS-RKQNKVCSSA-N	459.600	5.326	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1cccc(Cl)c1	35198069	LXUXHDGVCDHDEK-HAHDFKILSA-N	464.974	6.400	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)c1	58845802	BSCYIKBPWQMBNH-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	59418152	ZHHYVCUZNWKJHX-OEAKJJBVSA-N	498.025	6.342	10	40	JKCB	
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(/N=N/c3ccccc3)cc1)C1c3ccccc3C2(Cl)c2ccccc21	59418667	YARNMNZYXJSRFF-QUVXYLOISA-N	489.962	6.849	10	40	JKCB	
O=C1N(c2ccccc2)N(c2ccccc2)C(=O)C1(/N=N/c1cccc2ccccc12)c1ccccc1	100023097	BUBRDKQDAPBKOG-ULIFNZDWSA-N	482.543	6.814	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc(Br)c1OC(C)C	107729145	UOPQRJAWCUOSAZ-YVLHZVERSA-N	481.799	5.981	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	208327018	NACNSQUFYIWEGX-FSTGKYBXSA-N	475.658	5.501	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21	208468157	VPDOLANIZREPOP-FBHDLOMBSA-N	499.995	5.786	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223015612	QWHCIAZZTMOZNB-GOTSBHOMSA-N	455.027	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Cl	223384445	UGGFRFFLJBASNZ-UIOOFZCWSA-N	473.045	6.315	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224021200	RMDSJEDQSUUGAN-RPBOFIJWSA-N	483.597	5.098	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)cc1	224550757	AJGLCZNKLNVLIZ-CLJLJLNGSA-N	470.598	5.375	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCCCC4)cc3OC)N21	260786556	YFQWSTHRLJQINO-VEYWIMSWSA-N	452.624	5.069	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	408641445	LNJJOYBLRSQTCX-LJQANCHMSA-N	456.929	6.277	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(F)c1	408742448	OYPSCRNLHJRWRN-UDWIEESQSA-N	450.893	6.438	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Nc4ccccc4)cc3)C2=O)cc1	408752471	AVBMMLOGTHRZCN-NMWGTECJSA-N	478.979	7.564	10	40	JKCB	
COCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408889608	HSDKKQPFWPUBOM-WOJGMQOQSA-N	461.732	6.339	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1	409018720	YOZDMDIUYSKVQX-MTJSOVHGSA-N	468.326	5.089	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c1	409227036	XEPGKKGHQTWBEY-JAIQZWGSSA-N	467.886	5.217	10	40	JKCB	
Cc1cccc([C@H]2C3(O[C@H](c4ccccc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)c1	975067	SDWFVBRQPHZKHT-MXBOTTGLSA-N	498.534	5.734	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	6057128	BMLYQZRREWZKLB-SWYRRKHMSA-N	490.581	5.329	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c(Br)c1	8721781	UAJPGBHBKSWFTG-ODLFYWEKSA-N	490.831	7.077	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	9209763	XEWJDORWFZBSQA-VTPTUSAFSA-N	483.597	5.469	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3nc(-c4ccc(C)cc4)cs3)N=C2c2ccc([N+](=O)[O-])cc2)cc1	9434487	NUHABFVFNMUUII-HAHDFKILSA-N	496.548	5.870	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c1	10112174	FPMAZMZDMIUMAZ-UHFFFAOYSA-N	498.048	5.288	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)cc1	13809939	RWWSXEKCSPNKHR-FISJVANTSA-N	451.551	5.878	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(OC)c3)SC2=S)cc1	16216697	AFOKXJQRIIBIQO-OYKKKHCWSA-N	495.597	5.823	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1cccc(F)c1	16399644	WFHYOACVKDNUOJ-JMIUGGIZSA-N	497.485	5.840	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	26680985	AICXFSFVCWBKII-QFOSJIQNSA-N	476.602	5.571	10	40	JKCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC=C(c3ccccc3Cl)N12	41083628	JABPTNSTLULUHK-SMOXDABYSA-N	450.734	5.657	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1	59136216	IOSPHZKZNXEUPF-XSFVSMFZSA-N	463.534	5.304	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)SC2=S)cc1	59418154	ZXYKUTJTXIJDQX-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1	100525216	AFLKVIDHAOYYLC-LRDZBDLTSA-N	474.771	6.101	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C(=O)NC1=S	208236588	KEJWEGZWKJQLBK-JPOGYNCRSA-N	461.631	5.111	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(F)c1	224399357	IXTQNJZATTWEIJ-LOSJGSFVSA-N	460.553	5.944	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21	260851254	KWNOBHLNDRQVMS-SVBPBHIXSA-N	497.668	5.325	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	408754477	QWEWWXDAZBMFPN-ATVHPVEESA-N	456.756	7.127	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	408772364	OPJFBVAVLKXXOL-IMRQLAEWSA-N	498.623	5.635	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)S2)cc1	408785116	YLHZLQWZQRUOPZ-XGLKJEJJSA-N	479.649	6.923	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)c(Cl)c3)C2=O)c1	408799838	LUTSGJCOLOBQNE-BUVRLJJBSA-N	496.950	6.047	10	40	JKCB	
Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1	408967912	STTPYIPZRKLYON-XYGWBWBKSA-N	458.627	6.937	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3O)C2=O)cc1Br	408984317	GRMSHYNEFYAPTL-LDADJPATSA-N	496.788	6.678	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1Cl	408985263	KDTJDUXOFURBBY-MTJSOVHGSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)SC2=S)cc1	409054210	SOCZVICIWIJLKL-NVNXTCNLSA-N	499.249	5.627	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409061067	URUMZVNFERWARF-OVZSPSEASA-N	454.570	5.836	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c(OCc2ccccc2)c1	409213497	PGZIKNZYPAMNAY-ZXVVBBHZSA-N	486.637	6.391	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccc(Cl)cc1	2377583	VDZQCWWSGLRJGD-PDGQHHTCSA-N	451.901	5.151	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc(/N=N/c3c(O)c(C(=O)O)cc4ccccc34)cc2)n1	4972336	ORXXNQOAEAEAQN-OCEACIFDSA-N	462.487	5.163	10	40	JKCB	
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	8454111	UIFQIGFSWLCTRZ-YZUZCNPQSA-N	488.506	6.472	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1	8816373	DIKLBWZYGAQLJD-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1	9076557	SRCZHGKNTYNZNA-SVTVQYSDSA-N	455.558	5.582	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccc(C)cn3c2=O)SC1=S	9157960	OJHXWYVAGQWLNS-CYVLTUHYSA-N	472.680	5.021	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br	9232304	GKKBLTHPKKSQCX-VIZOYTHASA-N	458.761	5.656	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccccc1	9311282	FUIDLJFBNDBVRS-HEHNFIMWSA-N	468.350	7.180	10	40	JKCB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	12616610	BBSXKAWCXXOBBW-ZOCZFRKYSA-N	482.960	5.276	10	40	JKCB	
Cc1ccccc1OCCOc1cccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1	13810311	SMPDQYFAHVWMCL-DZMCVATHSA-N	481.577	5.757	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009594	CDJGYNHCRMJCBG-NAHYFOQLSA-N	458.533	5.667	10	40	JKCB	
CCCCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC	15930804	UPALKAJHSPOJFB-ZDLGFXPLSA-N	487.350	5.141	10	40	JKCB	
COc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc1	20289176	NAXKWIYAQFYOTC-KQWNVCNZSA-N	470.554	5.451	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccccc3)=N/[N+]2=C2\NC(=O)S\C2=C/c2ccc(N(C)C)cc2)cc1	32594631	POFJXRFLYVAMOH-BPTDDQHESA-O	483.617	5.519	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c1C	41085207	SCDSMBDPXAUUKV-WTPQPOPRSA-N	488.016	5.918	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847498	PMMVWNBBYACBPU-VRUMLPLGSA-N	465.018	6.584	10	40	JKCB	
Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)ccc1Br	59860624	QXGWEIYIFIUVSL-XSFVSMFZSA-N	491.341	5.843	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1	100147768	UCEMJNJFKXZJPO-HYARGMPZSA-N	465.322	5.973	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1	113834706	CHINNMMLKLSION-XDHOZWIPSA-N	466.496	5.047	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21	208239117	JYCVDUSGENYMJM-HVOBPNNYSA-N	488.440	5.547	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223095697	GRBDDBMLZYNDBG-RRPNLBNLSA-N	458.675	6.357	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1Cl	223349116	VLJOXOQLRAZDCY-DNQXCXABSA-N	497.451	6.562	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1C(=O)O	223386923	JNHSNBMVLXJMSH-IZZNHLLZSA-N	482.609	5.360	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223614860	KQDBFUGVPLBZJI-WTZXFZKGSA-N	466.622	6.871	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C	224267465	BRFCGTIIHSPKML-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408571263	AUEDQYISLJABHA-JCMHNJIXSA-N	474.607	5.727	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408760131	SEERYMJOXBHSLZ-VXLYETTFSA-N	481.733	5.666	10	40	JKCB	
CC[C@H](C)Oc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl	409012391	JSLPERSLSPERKV-SFHVURJKSA-N	491.012	6.266	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409061711	GLRORUILYOXSHN-QFEZKATASA-N	474.988	6.242	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCCCC1	409133709	MQZCXTUHTOTIJY-KQWNVCNZSA-N	475.639	5.450	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409160309	UCNUHDNDKHBECT-FMTVUPSXSA-N	488.731	6.965	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O	409231883	LLIVCBCSGWETPD-WGOQTCKBSA-N	484.600	5.311	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Br	409245051	MRVAEETUZHICQC-JXCQQFQQSA-N	491.769	5.255	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=S)c1ccc(Cl)cc1	409340273	TYPYHHQOVKCHHY-ATVHPVEESA-N	473.000	5.630	10	40	JKCB	
COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1OC	3350625	URYKUOXVTHQCAV-MDWZMJQESA-N	498.373	5.313	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC	3768169	BVBHBNDIVGONOQ-WOJGMQOQSA-N	453.507	5.909	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1OC	8821245	URORAHQVIWGLGS-JWGURIENSA-N	457.617	5.327	10	40	JKCB	
COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Br)c1OCc1ccccc1	8861592	WVRQHWYSAAXLDN-UHFFFAOYSA-N	495.325	5.219	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](CC(C)C)(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	13068881	KNXPGTMAMMWLEQ-PMERELPUSA-N	485.628	5.894	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)o2)ccc1Cl	32099472	FMHBCQHPGYYMGE-UYRXBGFRSA-N	469.324	6.236	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5F)c4C)C(=O)N=C3S2)c1	35153391	GJYLNOKLWZIZAT-ANYROYSUSA-N	457.534	5.209	10	40	JKCB	
Cc1ccc(OCCOCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1C	41077639	RBWVHAGOESQWHJ-STZFKDTASA-N	478.035	5.262	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1	58848003	BJZARZOLXYJARJ-XXAUWVGASA-N	479.045	6.893	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222875473	IFZSYVXOMKZAII-YADHBBJMSA-N	469.452	5.634	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224206415	LDDHVNGZQIUSHM-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	224464505	JSEWVYSUASKANW-LOSJGSFVSA-N	493.463	6.973	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c(OC)c1	224812575	BEPARZBCHRIJGT-RRPNLBNLSA-N	499.640	5.387	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(O)cc1	225345177	UVJNEFXTYUUVMZ-VSGBNLITSA-N	498.652	6.159	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@H](C)[C@@H]1[C@@H]2CC=C4C[C@H](O)CC[C@]4(C)[C@@H]2CC[C@@]31C	247954499	LIBRFSNEVHBFKI-JFFIQPBZSA-N	494.701	6.262	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccccc1	408632380	FHSPQBPVYVCUQJ-MOSHPQCFSA-N	450.951	5.750	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(Cl)ccc(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736115	GAMLUFPNMNIOSY-NMMYMHLASA-N	456.800	8.052	10	40	JKCB	
CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21	408736423	RQSJIKUBNQFOOS-UMFSSWHCSA-N	470.525	6.177	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)NC2=S)cc1	408740896	IZOMRWXLEHLQFT-IMRQLAEWSA-N	491.616	5.901	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(F)cc2)cc1	408756101	QVEAVQGJTCFELF-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2Cl)cc1C	408814569	PSAMPUPYPADUOX-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1Cc1cc(C)cc(C)c1	408872813	JEZANGUSFXUNHV-UQQQWYQISA-N	482.580	5.522	10	40	JKCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	408903599	UDBQTCAXINJHBL-BUVRLJJBSA-N	484.458	5.363	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C(=O)O)c4)C3=O)o2)cc1	408984356	HHIVKCAAPGOEEP-HAVVHWLPSA-N	491.499	5.903	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)C(=O)NC2=S)c1	408992424	RVCQZUIIDAIPGS-XSFVSMFZSA-N	485.590	5.427	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409024952	ZZYNBWVKNYMMOT-ITYLOYPMSA-N	453.538	5.841	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409059253	LZTSPKPMMDBCMD-JTOYMXJDSA-N	484.596	5.845	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)NC1=S	409067151	BRAOSVPXVNQZLL-CPNJWEJPSA-N	499.444	6.284	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2C)ccc1Br	409132058	KUWMBWBMNSCXAF-HAHDFKILSA-N	495.442	6.444	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC	409329400	FIJVCLGVZPIQRY-UDWIEESQSA-N	482.454	6.977	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	828133	MAAOAYHREATKBL-PXLXIMEGSA-N	472.566	5.069	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	2378541	QZHRUUWROPOZOF-HAHDFKILSA-N	487.606	5.932	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1	2394266	JZDGTZCHWSOEJH-KQWNVCNZSA-N	458.587	5.250	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1	8438772	MFEYXZIIHHTQPG-JAIQZWGSSA-N	483.351	5.351	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1	8766763	ITQIAKZNBUMMCO-YVLHZVERSA-N	461.688	6.414	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21	8856457	XEDPWZUJSGAHKG-SXWKCWPCSA-N	464.790	7.160	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)SC2=S)cc1C	9232330	OGURZRRQWOWCKO-JJIBRWJFSA-N	461.608	6.167	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccccc1	9296459	WEVZRJGCBWMZBJ-HYARGMPZSA-N	452.000	6.320	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C	9309317	IZBGQZOGCUBQBB-ANYROYSUSA-N	473.989	5.723	10	40	JKCB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1OC	9973252	YPCRVBIKXZIYHK-RGVUVNHFSA-N	485.820	6.915	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1C	13942221	XHLFTNIUKDLCCN-FTGFMQHASA-N	454.353	5.756	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc1Br	32138940	VLVCDLCYBIJEPK-PDGQHHTCSA-N	466.762	6.582	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	33680836	FBNZXZQNLIKMGC-NIZMMVCKSA-N	494.407	6.068	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC	58846673	WYJRFMXDRCIEOA-SXDGJLEOSA-N	490.625	5.948	10	40	JKCB	
COc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1Cl	59198200	YJMZWIZERUYUFG-WUXMJOGZSA-N	470.106	5.271	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1	108133931	JZLDXGNRNGINQF-BKUYFWCQSA-N	455.366	6.655	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	223762305	VCWYBVYDCNVIOC-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	223839148	AZOXQBARAFZEKF-CLJLJLNGSA-N	454.599	5.757	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224307971	WIHKDFQYVJFALB-JDXGNMNLSA-N	494.708	7.154	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2)C1=O	408870820	WYLCTPPQAZZSOX-HMAPJEAMSA-N	490.943	5.156	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1F	408885076	XADHKKWORUKITO-LDADJPATSA-N	494.906	5.042	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1	408939528	MVSYAVCFKULDTG-HYARGMPZSA-N	493.332	5.609	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409059633	RIZYWHMLWQABCG-OYKKKHCWSA-N	489.015	6.550	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccc(Cl)cc3Cl)c12	409124912	BZCBXNPARKPJOG-JMIUGGIZSA-N	475.466	6.780	10	40	JKCB	
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1ccc(F)cc1	409126018	NNHFYZLBCSBXKW-BKUYFWCQSA-N	496.947	5.467	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(O)c(OC)c3)SC2=S)cc1Cl	409341439	ATDWGCSULILZBB-VIZOYTHASA-N	486.796	5.231	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1	2067676	FTZJOGSTMXHHRQ-UHFFFAOYSA-N	498.991	6.657	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c1	2264503	JDZMERHALXLZRQ-JYBCESJWSA-N	458.587	5.250	10	40	JKCB	
O=C1C(=Cc2cccc(OCc3ccccc3)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	3771650	XICJZDBRKHFHEB-UHFFFAOYSA-N	490.584	6.014	10	40	JKCB	
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=O)N=C3O)c2-c2ccccc2)cc1	8997364	LVJDWGNEJDGHTR-UHFFFAOYSA-N	491.503	5.188	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1	9188584	DZRFLCXQRABIGJ-MYYYXRDXSA-N	475.635	6.605	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12	9455838	JJCSTNDXHQNGMX-NWSLSDTJSA-N	478.986	6.110	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	9461934	WNNLFZJEMLDTFW-WUXVYIAASA-N	487.560	5.240	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)c(OC)c3)C(=O)N=C2S1	9514063	LBDHWWHVMNNQFP-FDLDKBQRSA-N	498.992	5.144	10	40	JKCB	
Cc1ccc(OCCSc2ccc(Cl)cc2)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	9805461	BLNXJUUGYLODIL-KQWNVCNZSA-N	498.094	7.225	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	13895799	LAZVTSOCTNZBRV-MOSHPQCFSA-N	462.336	5.458	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4F)c(OC)c3)SC2=S)cc1	16216707	HZKRMVVAAYJCJC-OYKKKHCWSA-N	495.597	5.823	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(O)=NC1=S	22717900	TYKWQFCPIIAOJG-ATVHPVEESA-N	480.929	5.532	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	33870678	WJSYHMLGPLHZMB-PAMLCIOASA-N	455.587	5.913	10	40	JKCB	
N=C1/C(=C/c2cccn2Cc2c(Cl)cccc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN12	41076293	SJSKRVZBYFUPQC-DVLXZHSRSA-N	472.279	5.025	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1C	106757171	HTJWDCIGPBQABC-BKUYFWCQSA-N	472.010	5.105	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C	208326344	JKOVDNXRXNUWSG-SDLXJUDFSA-N	475.658	5.555	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223464849	CQRPZYPHHUEIDL-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223768243	TWMHKOIQPRJNKX-CLJLJLNGSA-N	469.614	5.378	10	40	JKCB	
COc1cc(N2N=C(C)/C(=C/NC(=O)Nc3cccc(Cl)c3Cl)C2=O)ccc1Cl	408529684	HPDUMCLJHNRESX-XFXZXTDPSA-N	453.713	5.084	10	40	JKCB	
COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1	408638164	CCFAFJQRRCQLQQ-FQEVSTJZSA-N	452.510	5.632	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408758557	MMLZRVIUZXRRJQ-JXAWBTAJSA-N	466.762	6.582	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4Cl)c3C)S2)cc1	408783663	OEBMOCYCMSNQON-QDNAUZDWSA-N	482.005	5.608	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3ccc(Cl)cc3)c12	409144767	PTMAQZLPRQKUEB-BKUYFWCQSA-N	471.047	5.753	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)c(NS(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1	1583202	UQUFWSDPPOEEPU-UHFFFAOYSA-N	472.975	5.095	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccccc1	2093322	GBDFHHCPBZOHOL-UUYOSTAYSA-N	486.445	6.974	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2nc(-c3ccccc3)cs2)C1=O)=C\c1ccccc1	8820648	OIGJUINKAWRZPZ-UVBZOIGOSA-N	477.636	5.596	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c(OC)c1	8821499	CIKXAVBJKJMMBV-UDWIEESQSA-N	468.512	5.278	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)c1	9234499	GHCWGDFWPJLZBR-LPYMAVHISA-N	491.977	6.857	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5Cl)c4C)C(=O)N=C3S2)c1	9293475	KRFRGCWBWSLCQA-KAGZEXGGSA-N	473.989	5.723	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1	9553621	RELOZCZTWHODSY-DHPBROCDSA-N	462.575	5.118	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc(OC(F)F)c(Cl)c1	9584923	ZVQIJDMTEXXEKV-UHFFFAOYSA-N	462.909	5.367	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1c2ccc(F)cc2CC[C@H]1C	13562267	BIJXRJJVTCCWPG-QGZVFWFLSA-N	472.029	6.459	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl	22516361	URRSPORUXOAUGH-UHFFFAOYSA-N	484.021	5.061	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(Cl)cc1)N1CCOCC1)c(O)c1ccccc12	24102781	KGVORNGMQAKFHL-XMMPIXPASA-N	479.960	5.852	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)c1	33350871	XMPKANNDDJYGIC-OEAKJJBVSA-N	453.473	5.644	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1C	33888602	BBMPHDORROHQRS-UQQQWYQISA-N	481.621	5.928	10	40	JKCB	
Oc1nc(/C(Cl)=C\c2ccc(N3CCOCC3)cc2)nc2scc(-c3cccs3)c12	40161570	HQRZSKGRMOTBPO-SFQUDFHCSA-N	455.992	5.699	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58848908	VNOPSCGSYUSGNC-WZOHSFFVSA-N	466.990	5.976	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)c1	59104685	OZZKMHXFAJKHJG-CJLVFECKSA-N	456.498	5.658	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C)c1	113835005	KXKWWMSMFCEHAC-YDZHTSKRSA-N	482.026	6.642	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1C	223349645	XJLKNHHNESSXJV-FTJBHMTQSA-N	456.615	5.872	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Cl	223460387	OVGJRGUBOMVMAH-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223462461	MTAOZMHFQMGBQO-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864936	QRKXKLAUDGBVFM-IAPPQJPRSA-N	482.653	6.243	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C	408758074	UXGPYTRKXWSMNH-WOJGMQOQSA-N	485.331	5.423	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(C(=O)OC)=C2C)cc1	408782259	GMBXJFPCYMJPRM-MYYYXRDXSA-N	490.987	6.023	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	408839758	ACCDLXAQQWDPIM-GIJQJNRQSA-N	472.303	5.206	10	40	JKCB	
Cc1c(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	408930895	DMJXHFWLWGBIJN-OYKKKHCWSA-N	490.390	6.398	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(N2CCOCC2)cc1	408985041	KSQOLDWCPBDHLS-LTGZKZEYSA-N	477.391	6.301	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC(C)C)cc3)c3ccccc23)SC1=S	409138038	ZAAQSYORBJPQBV-JLPGSUDCSA-N	496.654	5.355	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	409149436	GESGVKUPNZJKHU-FQEVSTJZSA-N	491.993	5.631	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)c1	409220601	BZPJRZKGJUQCJO-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409244642	GRZMHHIUJYAEMZ-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S	409345651	IOYVFDPPCMSHEZ-YVLHZVERSA-N	468.825	5.903	10	40	JKCB	
O=C1C(=CNc2cc(C(F)(F)F)ccc2Cl)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	2178919	VMHMVZBFUSRYAJ-UHFFFAOYSA-N	497.945	6.111	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1C	2273820	KZANXRDWEQBFKR-IWIPYMOSSA-N	491.682	6.494	10	40	JKCB	
O=C1/C(=C\c2cccs2)SC(=S)N1CCCCCC(=O)N1CCCc2ccccc21	8857619	WGGVUHAUTSRYFR-CAPFRKAQSA-N	456.658	5.489	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O)=C\c1ccccc1	8951607	RHHCNVJECGLLKB-QIROLCGISA-N	491.465	6.560	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9009474	YGHHAFOYBFPGEP-DSNGMDLFSA-N	498.922	5.271	10	40	JKCB	
Nc1c(/N=N\c2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	13403836	SEKGXFZFHGAXJW-IUSHGTEISA-N	469.526	6.131	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12	16488322	SFDJBWINWOZHKA-JLPGSUDCSA-N	482.536	5.389	10	40	JKCB	
CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2Cl)c1-c1ccccc1	17130552	DRAAZJPUFPEMBL-CYYJNZCTSA-N	483.449	8.435	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	33636170	ZCBDWUSSXWYHQQ-POCCGPMPSA-N	470.942	5.075	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	36082028	BAVFUIFLBMWQBX-ZPFBFIQOSA-N	485.613	5.776	10	40	JKCB	
O=C(CC(=O)N1N=C(c2ccccc2)[C@@H](/N=N\c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl	104292066	FKVLWOJNRCWKPA-CVRGYLICSA-N	494.338	5.248	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C(=O)NC2=S)cc1	109041705	ABOFYBNKBKIFHF-NLRVBDNBSA-N	492.600	5.813	10	40	JKCB	
C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	118914480	RUPJLEKJZUBHKS-PGGZJEFSSA-N	481.771	8.066	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(=O)O)c1	223099662	GVVYTXMNDIIQQI-RPBOFIJWSA-N	474.630	5.493	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223101668	IDURHQMWYPJVCB-VPUSJEBWSA-N	458.675	6.411	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc2ccccc12	223532920	BHDDAGXSYCHNHE-WDYNHAJCSA-N	489.648	6.210	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223821378	JFQYBQBPYAQIMR-FQLXRVMXSA-N	496.680	6.682	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C	224566368	ZBRYBSUKIHHTCI-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224897687	ZKQVLWDRDRHAOT-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=S)NCc1ccccc1	408535747	ZYJLKCFJIXPAES-ITYLOYPMSA-N	484.669	5.425	10	40	JKCB	
CCCCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	408539356	VUWZKICZPATECV-RGEXLXHISA-N	461.345	5.619	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2cccc(Br)c2)C1=O	408756122	TYMYPADLMOYNOX-DEDYPNTBSA-N	451.295	5.431	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(Br)c3)C2=O)cc1	408763199	RQELJZJXFIHRID-KGENOOAVSA-N	461.315	5.070	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C	408867845	MFVQFHMRQSGHMY-ONUIUJJFSA-N	492.600	5.867	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3Br)C2=O)cc1	408983419	BPEOTGXJQJLWEF-XDJHFCHBSA-N	480.789	6.973	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408985051	LAZDBKOSDLIDMA-LDADJPATSA-N	451.309	6.681	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1	409016331	HCRSYXDBAXZKSZ-IDUWFGFVSA-N	467.146	5.633	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409018380	UXQPAULSPQXNTN-BWAHOGKJSA-N	483.564	5.190	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409051576	AVOMKFVFZLQQBS-QRVIBDJDSA-N	478.951	6.072	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(CC(C)C)C4=O)c3C)cc2)cc1	409124196	AFQPGFHWFYOMRX-MYYYXRDXSA-N	492.666	6.752	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)c1	409350659	RXTRTFRLWGLHDH-MTJSOVHGSA-N	493.522	6.010	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Br)c1	1866386	WEKBDCKVXMBIKE-LWZSUBOQSA-N	487.444	5.625	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	2626754	DVBBFPXHPPGWEL-SXBQZSJRSA-N	490.431	5.720	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(c3cccs3)=NN12	8769820	XKCAUPAHYRGHIA-FSWFDUBRSA-N	494.601	6.148	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	8838344	SVYRWENIDVOISN-CXJFQJJYSA-N	457.559	5.058	10	40	JKCB	
CC(=O)Oc1c(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1Br	9310856	OJCQYAQLFRBPQB-CHHVJCJISA-N	478.136	5.427	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1C	13801180	AKOSWMZFEVKTBH-XIEYBQDHSA-N	486.641	6.093	10	40	JKCB	
COc1ccccc1OCCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1	13898536	GZKUMTUMUYBWFQ-LTGZKZEYSA-N	492.915	5.313	10	40	JKCB	
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)c1ccccc1	13940463	RTQMPVNYFCRYPZ-GRVPHDJPSA-N	491.341	5.256	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1	16292313	MUIYDBAUPXKMHK-IWIPYMOSSA-N	461.608	5.984	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1	20238532	NQWCHGJDGPQBCT-WQRHYEAKSA-N	481.848	5.414	10	40	JKCB	
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1	26965542	BNIJHJXVCUZJSG-ZHNNPGPNSA-N	471.603	5.749	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1	41077881	DBBGVWDSRPFEBX-JRUOFFEZSA-N	471.561	5.463	10	40	JKCB	
CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847341	LIMSCJKOGYUYKH-OREGWCPLSA-N	493.072	7.265	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	100076109	QMRZCFOVKCCFKU-GZTJUZNOSA-N	474.822	6.123	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	102032594	NVYIPSZLOYKJNT-HXHBTQRASA-N	491.650	5.351	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)C[C@@H](c3ccccc3)CC1=N2	102727670	AIQCSDKTKUMZMH-DCFHFQCYSA-N	463.537	6.200	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1Cl	223349274	VLJOXOQLRAZDCY-ZEQRLZLVSA-N	497.451	6.562	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1C	223388750	PPTPLFPYYNXZMJ-NSOVKSMOSA-N	466.654	6.279	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223585288	QXGOGUBMZWTERY-ICODJCHTSA-N	452.595	6.483	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224335293	QQTFAFIOINPBAY-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224601342	VURZWBXPHSECNQ-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1	225655155	AEUPCAAISRVAGH-HNNXBMFYSA-N	455.977	6.643	10	40	JKCB	
COCCCOc1cc(C[C@](CCC(C)C)(N=[N+]=[N-])[C@@H]2C[C@@H](C(C)C)C(=O)O2)ccc1OC	228973586	BFKDORYLBGVCCA-OPHFCASCSA-N	461.603	5.726	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	408527790	GJWTYCIAUUBSME-HAHDFKILSA-N	495.004	5.476	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1	408571991	DSOOGJNBQYTQKQ-HMAPJEAMSA-N	484.643	5.275	10	40	JKCB	
Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3cccc4ccccc34)cc1)N2	408736177	JSRJDTKOCDTTLW-ALTZYDRJSA-N	482.421	8.008	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C(=O)O2)cc1	408744469	YAYKVBMKZXDQNF-SFQUDFHCSA-N	483.398	6.396	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC	408766856	TUDNXRYLVCDCRM-QGOAFFKASA-N	452.337	6.482	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409219945	WTDFDJOQANVGEB-YDZHTSKRSA-N	450.991	7.112	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1	409339026	DKBCPWXAOZMGDZ-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1C	409345711	NCXFLZHJSMKYDW-OEAKJJBVSA-N	459.571	5.386	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3cc(C)cc(C)c3)c(OC)c2)SC1=S	2882643	UYPUVARTZJBAKF-STZFKDTASA-N	492.062	6.034	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)c(C)n1-c1ccccc1F	2889299	FBMARSJLLNSVCL-UHFFFAOYSA-N	497.020	6.633	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1	6177796	GXPPMZODLRVQBF-UHFFFAOYSA-N	479.511	5.817	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	8820258	GMJPFQILYXGIIH-MKMNVTDBSA-N	461.779	5.470	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1Cl	13600880	CUHHPFRYFGIOIH-VXLYETTFSA-N	468.427	6.192	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	13670648	DGBKGBQPADQXNA-UHFFFAOYSA-N	451.035	6.553	10	40	JKCB	
CCCN1C(=O)/C(=C/c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)SC1=S	16735110	LQILQBFQHTUJOE-ZHZULCJRSA-N	479.627	5.530	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccccc23)cc1	20288677	GYOJBGLBELUPQF-XHPQRKPJSA-N	450.542	5.034	10	40	JKCB	
OC1=CC(O)=C(/N=N/c2ccc(/C=C\c3ccc(/N=N/c4ccc(O)cc4O)cc3)cc2)CC1	24717458	LXVPUYDOHUGVTK-XXAYDXDWSA-N	454.486	7.773	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	35352529	LRLFQXYPUGEAKR-BKUYFWCQSA-N	465.918	5.910	10	40	JKCB	
COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OC(C)C	96114779	FTGKRIGUKLIEHI-QGZVFWFLSA-N	488.492	5.108	10	40	JKCB	biogenic
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21	208255331	BPBJFTAFFZTXEM-SYZMQFJCSA-N	484.021	5.737	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Br	222920483	YBUHEEBAYPFFSS-DHIUTWEWSA-N	483.479	5.880	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232182	ADJBYELZMOKFJC-JWQCQUIFSA-N	482.097	5.375	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Cl	223309181	HZHLDSUFUYBNFI-GKVQRAMASA-N	467.038	5.294	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(Cl)c3)SC2=S)cc1	408574777	CXSQVZGWDPSOKC-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2Br)cc1	408761348	ISLCDJRLQQADPW-CJLVFECKSA-N	477.358	5.691	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)c1	408766778	RRTWZCGCIKDSEE-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1	408775117	ZAXGATNEVCKWLG-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)c1	408803734	SVGBLZQPBSPOQY-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cccc(C)c1	408804743	HBXYOEDCPLQUKI-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(Br)cc1	408817471	UBKRSUCHDTVLCB-UHFFFAOYSA-N	471.375	5.759	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	408884119	XTQKKWXHTYPIEV-KGENOOAVSA-N	474.944	5.511	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)c([N+](=O)[O-])c1	408984984	JXFGPMODRHGDLG-MHWRWJLKSA-N	471.727	7.026	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409073908	UMJXRAVCZGLXCF-QRVIBDJDSA-N	495.406	6.587	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C	409240130	ORPGXGLPUUCNNQ-WOJGMQOQSA-N	498.366	5.384	10	40	JKCB	
Cn1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc21	409334881	YCWNZSPKMGJBIY-CAOOACKPSA-N	463.809	6.000	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)SC2=S)c(C)c1	409342401	DMBUKAOKKYRNFK-WSDLNYQXSA-N	486.584	7.136	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	409344153	FUGFKCLPTOLRBO-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)cc1	869707	WMXHFJQOGRAANS-UZINWLIJSA-N	492.597	5.340	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	1796011	KVINNEUXOBBPAZ-FUMQJTLXSA-N	494.374	6.826	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OC(=O)c5ccccc5)cc4)S3)CC2)cc1	2315465	LYDQJVSCOWFICV-PLRJNAJWSA-N	483.593	5.007	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1Cl	8741104	UQWOGXKEDLOXPP-XKZIYDEJSA-N	499.954	6.167	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c1	8819167	HMZMERQQGBEZMW-PDGQHHTCSA-N	480.533	5.334	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)c(C)c1	10112173	ATLVFRRHTXLYMX-UHFFFAOYSA-N	498.048	5.288	10	40	JKCB	
Cc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1	13551660	UYOMLJABEYTILU-QQTULTPQSA-N	453.611	5.373	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1	34895436	MJOWZLLJJZIVDI-UQQQWYQISA-N	465.553	5.763	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	41108098	RXCWWDWMGKYYEF-HGMBWOCJSA-N	453.571	5.378	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1)N1CCCCC1	44086364	WKBHYCCNIHJJEC-UHFFFAOYSA-N	460.430	6.010	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58845975	NQGFZFRLFHJWBF-CLCZQPDDSA-N	460.599	6.021	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1	58846401	DWILZPIOZKPLIB-FYQCMVGJSA-N	474.582	5.659	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1OC	59860864	OCFGBJVBNSVUAU-FSJBWODESA-N	486.568	5.678	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)o2)cc1	80348294	GAKNPUYDCTUVEV-ADKREUBMSA-N	493.013	6.254	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1F	83312675	WVZJSYXAIWCBLT-WOJGMQOQSA-N	480.879	5.573	10	40	JKCB	
CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccc(Br)cc2)c1-c1ccccc1	104223422	DTHWDHSRPIWSCQ-QPLCGJKRSA-N	493.455	7.891	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=S)cc1	208677114	VWIVVDDGPUXYAV-BKUYFWCQSA-N	455.004	6.162	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926481	LWONPNRATHTCFS-DNQXCXABSA-N	453.055	6.079	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)nc1	223392895	JJVZUIXXNQPRPR-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	260924271	SYHZFGZKJMLBGV-XZOQPEGZSA-N	455.071	6.139	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Cl)cc2)cc1	408842822	LAECKDZOQVOIEN-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1	408986340	PUNRJSYWLWPIJC-CPNJWEJPSA-N	450.321	6.251	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c(C)c1	409129650	VKMLQDDLPAYQGP-OEAKJJBVSA-N	466.603	5.806	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC(=S)N1c1ccc(Br)c(Cl)c1	409330039	JDOJOXRXJDQLAV-ZDLGFXPLSA-N	494.794	6.907	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1	2374848	GFYFOVDZPMOQQA-WJDWOHSUSA-N	471.694	5.029	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S	2834747	BDZIKKIEEFXVGL-PDGQHHTCSA-N	470.417	5.523	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OC(F)F)cc1	3351429	DOEFNLRMQIRINR-LFYBBSHMSA-N	470.428	5.043	10	40	JKCB	
CC(C)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	8836365	VIQPEYAMIVDDQB-TZRRMPRUSA-N	499.950	5.159	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1Cl	8986625	ZFPKKYNFNXRTSN-MTJSOVHGSA-N	487.918	5.457	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9309636	UWYFPIQNDFEVOE-WOVJFNANSA-N	480.037	6.255	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	9309713	TXGVFELKWFSWBP-YOXBEJIOSA-N	487.560	5.240	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9850509	OOLBWBNRRSKCRI-DEDYPNTBSA-N	488.456	5.500	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OC(=O)c1ccccc1Cl	13063231	VNZQYPVQDVYELJ-STZFKDTASA-N	464.930	5.650	10	40	JKCB	
COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(OC)cc4)c3C)n2C(C)C)cc1	13128892	HGIFOCWKJKHCLZ-UHFFFAOYSA-N	490.629	5.926	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4[C@@H](C)CC)c4ccccc34)C(=O)N=C2S1	13893787	BALBTGVDMXUTDN-WWQHPMFZSA-N	499.640	6.263	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	16031601	JUVWKLNEQWVVNU-KTHGQWMESA-N	492.660	5.458	10	40	JKCB	biogenic
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	16268366	JKHUHHXAOOGJBD-HAHDFKILSA-N	459.521	5.197	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccccc2OC(F)(F)F)cc1	20289219	BGNSKZPWIFNTLT-JCMHNJIXSA-N	485.437	5.870	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	33649889	XVXFLROCVRALGJ-JMIUGGIZSA-N	484.917	5.301	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	34793219	GKFCNOASRWPUSS-RGVLZGJSSA-N	487.478	5.924	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	35039843	PEHGNHULBBLCCK-STZFKDTASA-N	466.540	5.307	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	41076295	CXBRMDHLKHGFHR-MEACREMCSA-N	488.491	5.407	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1OC)N2	58846135	COMIBZMFPFSGIG-ISCCLHIJSA-N	490.625	5.894	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58846194	FZSNXKBQYZZNBQ-UNVFRBQDSA-N	474.582	5.575	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N\c3ccc(Cl)cc3Cl)ccc2O)C(=O)N1Cc1ccccc1	106681992	HYYQFWDXBCCUTP-YKDGARQTSA-N	484.364	7.351	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc2ccccc12	108115226	AHLWOLHQYXFPTM-IMRQLAEWSA-N	490.559	5.617	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Cl	224165811	XTDAIRHUWLKRPE-DQEYMECFSA-N	459.018	6.320	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccn1	224457376	UCVPULFLLPGUIW-BJKOFHAPSA-N	460.006	5.715	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(F)cc2)c1C	224566737	PQAJPOOODMWOIB-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@@H]1c1ccc(N(C)C)cc1	226780609	KYLDLKZGLGVYJR-AREMUKBSSA-N	464.569	5.267	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(Br)cc4)c3C)N21	260753055	BANQDBWMQSLWRA-YSZBQJHXSA-N	481.463	6.231	10	40	JKCB	
CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	408584500	QNYDROAIOZXWTA-UHFFFAOYSA-N	485.993	5.246	10	40	JKCB	
Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)c1	408647094	RVRRKCAQPGVPIJ-UHFFFAOYSA-N	461.743	5.306	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1C	408755103	BNDAQQSBPGIJLT-XKZIYDEJSA-N	463.379	5.675	10	40	JKCB	
COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1C(C)C	408844261	CVOBIHPCOZNZHG-XNTDXEJSSA-N	463.386	5.265	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)cc1	408876790	QWTDIOQDJRJHDR-HZHRSRAPSA-N	462.908	5.299	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ncccc4c3)C2=O)cc1Br	408983787	CPDNMIAHXPUOGT-PXLXIMEGSA-N	497.392	6.867	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)c3ccccc32)c1	408991114	MUKDBASZKWDNKK-MFKUBSTISA-N	463.537	5.281	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	409059792	XLCHPWQDHFWACG-JCMHNJIXSA-N	476.960	5.633	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409168894	OFIOFGCKDFEYTD-RNHFSVANSA-N	462.387	6.960	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)C1=O	409240189	FUDIDNQSLSPZON-LFIBNONCSA-N	485.721	5.337	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1	409338310	HPJSLPBXUCXIAO-KOEQRZSOSA-N	474.651	6.518	10	40	JKCB	
COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)n1C	2629959	GUDPHPFKCZDUGW-UHFFFAOYSA-N	450.539	5.012	10	40	JKCB	
Cc1ccccc1/N=N\c1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)c(C)c1	4017482	VZDKQEMOSBIJFB-MACCWIEESA-N	490.819	5.787	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821320	MDZWWWQIMXUHBX-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1	8872142	CMPNENKBZHIGBJ-HMMYKYKNSA-N	488.370	7.733	10	40	JKCB	
CCOc1cc(Cl)c(Cl)c([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O	8920846	NRJMLNGSGVPUQR-GIPWTMENSA-N	483.461	7.129	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9235118	RCBSKFGSQDRGLD-DSITVLBTSA-N	453.925	5.362	10	40	JKCB	
Cc1cc(C(=O)CSCc2cc(=O)n3c(C)csc3n2)c(C)n1-c1ccc(Cl)cc1	9613311	MEGSQKZXWQMICC-UHFFFAOYSA-N	458.008	5.241	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1Cl	9634109	UTWUYAJFEPGKKH-WCEBZYJUSA-N	476.019	5.308	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O	12468942	DWBHESLUZASRHX-NSIKDUERSA-N	491.215	5.876	10	40	JKCB	
CCN1C(=O)C(=CNc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)s2)C(=O)N(CC)C1=S	13129822	ADMIHAVYUVLFOO-UHFFFAOYSA-N	490.654	5.385	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(C(C)(C)C)cc3)c2)SC1=S	13940292	PWLFPAJMEHKWTC-XLNRJJMWSA-N	455.645	6.053	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1	15011885	SULDCUTZYMARPV-KGENOOAVSA-N	492.534	5.228	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1	16678614	FFQKXVQRTOUZJP-UHFFFAOYSA-N	469.972	7.400	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	33924058	YDQVQJZPTKJACI-FYJHPUIUSA-N	486.016	6.476	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)cc1	35226024	QFVIESGQNAJYIF-PEODKBGFSA-N	473.627	5.580	10	40	JKCB	
CC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(Cl)cc4C)c4ccccc34)C(=O)N=C2S1	41107993	MEYCQKKWUYVEEX-ZKZDLDBDSA-N	477.977	5.321	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c(C)c1	58850192	LBJHOSGSQWANAY-ANSQWYIGSA-N	483.008	6.723	10	40	JKCB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2OC(F)(F)F)cc1	215715027	BTHKIECKUXHMSM-PGMHBOJBSA-N	469.463	5.061	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223462646	FKZZTDAUZQUFQP-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223494474	VCWCRUUOFFCMPL-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223495487	VFOMNGJOTOEEQL-SXOMAYOGSA-N	467.642	5.619	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224334161	CDPBQSRODVWMAV-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	408578355	XSTLFGWFKROWDL-MTJSOVHGSA-N	484.643	5.248	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O	408604111	SNMAAJOMNLRYCE-MHWRWJLKSA-N	486.267	5.136	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408801284	USEXVXQRZBNZST-TURZUDJPSA-N	498.538	6.238	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(F)cc1	408807210	KQRYHQMOXPRHOO-AHVBHIFMSA-N	488.652	7.287	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)c1C	408812673	SYGUBIVXZJOLDW-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(Cl)c3)C2=O)cc1	408817766	ULXOUWZZUYNFSW-OEAKJJBVSA-N	488.971	5.765	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Cc2cc(C)cc(C)c2)c1	408879370	FPRDNQVEEUJKIE-HZHRSRAPSA-N	488.971	5.531	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C	408902308	MXJRPTZFZSXBBQ-MTDXEUNCSA-N	496.010	7.133	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1	408903916	BEGRKXATXAXJHR-YZSQISJMSA-N	497.392	6.987	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	408936673	PMZALWJLCRZKPC-WPWMEQJKSA-N	481.983	6.507	10	40	JKCB	
CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	409045819	IFIBFNWYOVYXRZ-VGOFMYFVSA-N	453.709	5.020	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1cccc2ccccc12	409085649	CMCHPMYNENYFRG-BABSMXRMSA-N	491.634	5.808	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c3ccccc32)cc1	409136735	UZFZKNBLSLZBJP-RRFFURKPSA-N	494.638	5.109	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccccc1	409339996	OGNFMNHBUPDFCZ-BUVRLJJBSA-N	493.675	6.792	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)SC1=S	409375121	FWHYDVBDQKWRIL-YBEGLDIGSA-N	468.825	5.903	10	40	JKCB	
CCCCN(C)Cc1c(O)ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc12	1916170	NOOFGEOGYIGZIF-UHFFFAOYSA-N	483.914	6.812	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(C(=O)O)c4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1	2355594	PEOXJVAOVCIKAE-GZTJUZNOSA-N	485.374	5.210	10	40	JKCB	
O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1ccc(Oc2ccccc2)cc1	2376227	ATJRJDPGTKTDGO-MOSHPQCFSA-N	458.391	7.192	10	40	JKCB	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1-c1ccccc1	3282370	MGGGKNIFIPNVRC-AWEZNQCLSA-N	465.764	6.238	10	40	JKCB	
CCCCCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	8385484	UYUSOLJCGFKBGQ-XDJHFCHBSA-N	450.633	5.763	10	40	JKCB	
CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccc(N(C)C)cc1	8836817	AKFILMQBRLZLEO-NDEPHWFRSA-N	488.672	6.509	10	40	JKCB	biogenic
Cc1cccc(N2C(=O)/C(=C3\SC(=S)N(c4cccc(C)c4C)C3=O)SC2=S)c1C	8870035	FKBOHDLQVIYPBV-ISLYRVAYSA-N	470.666	5.561	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9234432	WJSYHMLGPLHZMB-RWYGKYMDSA-N	455.587	5.913	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)ccc1OCCOc1ccc(Cl)c(C)c1	9425544	DYQXRAWZJASRTA-OEEDQDNFSA-N	498.992	5.144	10	40	JKCB	
O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCCCC1	9892695	NLVMPHCPMKYLKQ-LGUFXXKBSA-N	461.565	5.873	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1=O)=C\c1ccccc1	13017301	VNUAGAHCFWAGSK-JGEPBQDUSA-N	476.545	5.882	10	40	JKCB	
COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1	19596412	ZTUCLIOXFQERGZ-AWEZNQCLSA-N	463.452	5.693	10	40	JKCB	biogenic
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1	19793038	MJYIQYNTWIFGFX-UHFFFAOYSA-N	461.480	6.248	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	22419178	SJRRZKATGMPPFE-VWLOTQADSA-N	479.024	5.336	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C(O)=NC2=S)cc1C	38188363	QNTIMHVZHSLTRP-JCMHNJIXSA-N	451.551	6.123	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(Cl)ccc1O	223089374	BVZLQFAEVJISRT-JWQCQUIFSA-N	481.065	6.153	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Cl	223309087	HZHLDSUFUYBNFI-NTUVXCKYSA-N	467.038	5.294	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	223762595	HQGLBHVPOBWHQZ-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223767779	PWQUKSAFVSPRRD-DQEYMECFSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172013	LHHIFUSYASJWHO-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224336053	ZVOGRBZPPYWACE-SVBPBHIXSA-N	487.072	6.882	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	408529100	HBJRBRABGUDAEK-NVMNQCDNSA-N	499.803	5.731	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	408601122	IMXLXSWIFQHOFC-NVMNQCDNSA-N	493.404	5.798	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	408757858	DJHWKKXMYLPQMS-XSFVSMFZSA-N	479.388	7.051	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)c1C	408800887	RTBPJLXGKSNBKP-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1OCc1ccccc1	408813978	FMYMBLMREFKARA-AUWJEWJLSA-N	485.222	5.279	10	40	JKCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408987300	WBVQCRZIXGAXDX-QGOAFFKASA-N	450.321	6.251	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409055682	PDQWFODEKZEHQM-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccccc1Cl	409142175	LSFBSBZMVOEBMD-QFIPXVFZSA-N	485.030	5.294	10	40	JKCB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1	409179532	RGGMLODBMVFFEG-XKZIYDEJSA-N	490.537	5.191	10	40	JKCB	
Cc1ccc(N(C)C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C	409331003	BGOBXULQEYWNBL-UHFFFAOYSA-N	472.617	7.539	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1	409350455	YFSDUBOHOHBEFX-IMRQLAEWSA-N	497.641	7.223	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2430247	RSPFGXULXYEQBE-NHKHRBQYSA-N	499.541	6.142	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1ccc(OC(F)F)cc1	3348116	AJLXQEWCNQPXLB-MRXNPFEDSA-N	481.451	5.230	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1	3768202	CNDBIVFDKDPBQB-UHFFFAOYSA-N	458.586	5.353	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821457	KHRNSDMUTITVRM-ZUZCKIMGSA-N	470.399	5.954	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	9193128	QZXNLBYDFWHAGU-UGIGCIEISA-N	461.635	6.417	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Br)cc3)C2=O)cc1	20288241	PPCKUCHLTFCGIY-JWGURIENSA-N	462.347	5.595	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)cc1	27019811	LPFQWQJXYDSHSZ-STZFKDTASA-N	452.601	5.243	10	40	JKCB	
CCc1ccc(/C(O)=C(/N=N/c2ccc([N+](=O)[O-])cc2)Sc2nnc(-c3ccncc3)o2)cc1	27526060	PNQRNUNVRRWPCO-UNGCUCNDSA-N	474.502	6.363	10	40	JKCB	
C[C@@H](Oc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1)c1ccccc1	41108009	ATGIHUVLXANUBY-BZVNBLJSSA-N	486.984	6.147	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	208678158	HNCJJZZAEFPQNB-NDENLUEZSA-N	469.975	6.062	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224341527	FGGUQYPYWBMHRV-SVBPBHIXSA-N	467.642	5.932	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	224464733	FAUHHPPVLQEZBR-DQEYMECFSA-N	493.463	6.973	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	408819228	XDYOEVAZAHAYIO-LFVJCYFKSA-N	466.468	5.224	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N(c2ccccc2)C1=S	409013557	BIKIPYXLWZQHPE-HMMYKYKNSA-N	450.947	5.554	10	40	JKCB	
CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	409046122	IUTVZXJSUBFSIY-MDWZMJQESA-N	453.709	5.020	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21	409123769	DSUYJGWZSGUTTG-UCQKPKSFSA-N	466.628	5.586	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409130453	HWMXTARTUBQZDH-LGUFXXKBSA-N	472.654	7.061	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409189539	QFAJVESFICCWDC-JMIUGGIZSA-N	477.800	7.295	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)c1	409341978	AXAYMEWHWWLMOF-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S)c1cccs1	409344343	JAJTUEYKYORBHW-XDHOZWIPSA-N	470.572	5.012	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c2C)nc1	8400798	DIXYFFUHKFSVIL-CIAFOILYSA-N	474.586	5.089	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3cc(C)ccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	9274066	YWVAKEKOPYBZNG-KCHLEUMXSA-N	477.560	5.416	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c1C	9312873	CTNRYBHODZPGBR-UNOMPAQXSA-N	463.921	5.571	10	40	JKCB	
COc1cc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)ccc1OCc1ccccc1	12628145	ZCYDUKBJBVSXTI-XYGWBWBKSA-N	456.567	5.303	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1	13894784	HAAMLSJRMJAJAH-BKUYFWCQSA-N	467.308	5.239	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COc3c(Cl)cc(Cl)c4ccc(C)nc34)c2C)cc1	14356428	KQILDJMTIPHGLL-UHFFFAOYSA-N	469.368	6.528	10	40	JKCB	
N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	41108031	WANWEWZRCGOQGB-YZQMTWDLSA-N	471.007	6.025	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1OC	58846246	SURMPLVJVDLQFC-ISCCLHIJSA-N	490.625	5.948	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1Cl	58848214	RYMSJRDWMGKVHN-BPYKYCOYSA-N	485.436	6.929	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c1	59136257	XJLCDXMDBIGIPR-RVDMUPIBSA-N	484.892	5.197	10	40	JKCB	
COC(=O)C[C@H](c1ccccc1OC(C)C)c1c(O)c(O)c(O)c2c(=O)cc(-c3ccccc3)oc12	96222536	YBXYFJIDZPHMMJ-GOSISDBHSA-N	490.508	5.059	10	40	JKCB	biogenic
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)c(Br)c1	100524790	YUCZAXYPECJRNF-FTGFMQHASA-N	454.353	5.756	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1cccc(F)c1	113832247	AAFFOJKMOPLHTJ-SRZZPIQSSA-N	473.953	6.603	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)C1=O	208471912	JCQAZNUFSSDLKK-XDHOZWIPSA-N	463.965	5.201	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223498693	HTZUCNDLDOWRAE-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224202802	HGHDVHIXATVAJJ-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1	224285588	FQNKPEGUBMTCQI-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224465953	OKOXELHVAALSSS-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c(OC)c1	224823946	MSFUGUMIPAWYRS-FTJBHMTQSA-N	470.598	5.375	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Br	225016054	IQXVEOPODMGODT-BJKOFHAPSA-N	495.490	6.167	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1	408756554	SSLWKTBUCUBTFX-PLRJNAJWSA-N	463.964	7.487	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1	408840953	DWDLUEBPWIHSQS-PXLXIMEGSA-N	464.338	5.489	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(Br)cc2)N1c1ccccc1	408849362	ZUTYSCUCPBXNRZ-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1	408966845	OMBZPVIBXPCMMB-UCQKPKSFSA-N	495.000	6.161	10	40	JKCB	
CCOC(=O)COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F	408969215	JKTZPYUNBXFGGL-ZHZULCJRSA-N	468.431	5.130	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408974646	FYPUCRJUIPACRS-BWAHOGKJSA-N	453.538	5.841	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc([N+](=O)[O-])c1C	409339607	WYCHXPBWNVJFHX-OYKKKHCWSA-N	486.574	7.031	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@H]43)c(O)c(Cl)cc2c2c1CCCC2	526052631	XZXGUROTISUQQY-ORSSICPCSA-N	495.063	5.426	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	3035089	WUTHFLLPXFZHIO-MOSHPQCFSA-N	452.513	5.659	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\CCC(C(=S)Nc3ccc(C)c(C)c3)=C2N2CCOCC2)cc1	3206447	ZAVXQRMRTMEEPJ-HIXSDJFHSA-N	475.702	6.353	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	5946097	CXEMQVYDISCBQM-JTPDXPAISA-N	474.417	6.210	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3Cl)C2=O)cc1	8819849	QJFVAQRNLFYOGQ-HKWRFOASSA-N	475.035	5.749	10	40	JKCB	
COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(N(C)C)cc2)cc1	9288556	YPAYHPXJJRRIFJ-VWLOTQADSA-N	453.546	5.039	10	40	JKCB	
Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1	10078591	NIDNNXIBPOKNTF-MUUNZHRXSA-N	497.620	5.616	10	40	JKCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2Cl)cc1	13025188	UHZRNHJLKNHMLC-DEOSSOPVSA-N	465.981	5.446	10	40	JKCB	
CCc1nn2c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c(-c3ccccc3)nc2s1	41108251	QUQJEILJUCHCNM-DAEVNMARSA-N	482.594	5.324	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc2ccccc12	223457539	FLGSMJICUCGCLX-URLMMPGGSA-N	489.648	6.210	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172713	FGMDWKYBKFDJTF-IXCJQBJRSA-N	466.654	6.537	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(F)cc1	224432739	MNBQQIFFOMFBBA-LOSJGSFVSA-N	460.553	5.944	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1	224465815	JHTZPXAYFTZSDS-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408639037	DVPOCUNRTALFIV-DEOSSOPVSA-N	478.592	6.749	10	40	JKCB	
Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1	408641106	JSUJYOBJPIAZKP-JOCHJYFZSA-N	450.538	6.241	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1F	408743748	UWNHMFQPKYUOSZ-DEDYPNTBSA-N	450.893	6.438	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1	408760897	AQFBDJFRZIMKIL-DEDYPNTBSA-N	465.278	5.121	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2F)cc1	408764539	XJOSRDPUQORUBU-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408780862	MEHGWYXSKBJLKY-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c2ccccc12	408783578	NAXFNCKOHGHDBD-GZTJUZNOSA-N	488.849	5.577	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2Cl)c1	408802352	ZJTRQPPYYNTKGT-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1C	408812700	SZIXKDQUYGLRLW-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1	408816419	YONWATWJXIUTRH-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2c(Cc3cccc(F)c3)ccc3ccccc23)C1=O	408868759	OLINTNQSKNRTET-PCLIKHOPSA-N	498.941	6.198	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408882048	MXNAFZVPGGVDQV-HAHDFKILSA-N	460.986	5.379	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	408903261	WQRXLUSMOTULKA-OVVQPSECSA-N	496.657	7.079	10	40	JKCB	
CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O	409232492	IQSWBBPZGMKCII-HYARGMPZSA-N	462.531	5.066	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc(C)c1Cl	1916175	IMQKUZICJOHNLS-CYBMUJFWSA-N	495.925	6.812	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1C	2162004	VHMGIFHXCHAEDQ-UUYOSTAYSA-N	454.954	6.432	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(Sc3ccccc3)nc12	2205091	HSTLBLDAUSOGGM-PDGQHHTCSA-N	467.641	5.011	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1	8819771	BUVKGCLWZLBMDH-MOSHPQCFSA-N	485.587	5.009	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C(C)C)cc3)o2)SC1=S	8884280	KRQSFLAUGSQSEH-MIQLPHMESA-N	461.630	5.478	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1ccc(I)cc1	9311243	PGQFYWNEGZJJSP-NBVRZTHBSA-N	483.736	6.416	10	40	JKCB	
COc1ccc(NC(=O)c2ccc3c(c2Sc2ccc(Cl)cc2)C(=O)c2ccccc2C3=O)cc1	12420975	DADSYONLEHRQEJ-UHFFFAOYSA-N	499.975	6.528	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1[N+](=O)[O-]	13075872	NBAZWXKUDBOEKY-IAFWPLRWSA-N	494.550	5.060	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1	13129322	ZKKLHLPHPICXBN-GOSISDBHSA-N	475.545	5.278	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13169339	JGSAPLZMRMLILY-JHKOBTARSA-N	452.583	6.015	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3cccc(C(F)(F)F)c3)C2=O)cc1	33331012	LMPNKRIJHHBZDS-JWGURIENSA-N	497.473	5.655	10	40	JKCB	
CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2[C@H]2OC(=O)c3ccccc32)cc1	102648097	NNKZYLQPLALNKV-WDYNHAJCSA-N	493.607	6.888	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4c(C)cccc4C)c(Cl)c3)C(=N)N12	103604887	RCYCDSJFDXXNLB-XYSYLGEOSA-N	467.978	5.582	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c1	208240935	NFUGRHGWGFRRFJ-BKQORJHRSA-N	451.954	5.037	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223422838	KBZQLVHLRKYADH-WUFINQPMSA-N	498.652	5.679	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cc(Cl)ccc1O	223489861	XNAXAISIIGSYMP-JWQCQUIFSA-N	490.032	5.416	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1C	223899962	RCSYGNIHETVGKH-URLMMPGGSA-N	495.696	6.349	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224234343	HNVNEDJQGBFQSV-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1C	224402983	BDSLQHVOSBGPMN-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224845531	YCUWJWLKESPYFX-SXOMAYOGSA-N	499.640	5.387	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)C1	260740102	SOYADIMBGAWTGA-FCHUYYIVSA-N	475.727	7.263	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1	408738478	YYHRDIWHHOETJH-HAVVHWLPSA-N	462.505	6.943	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1cccc(Br)c1	408764725	SMCXAKPOJIZCND-DEDYPNTBSA-N	482.175	6.046	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C	408812502	LYHPEDBRPUEQSV-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)C(C(=O)OC)=C2C)cc1	409021951	GIPXFSIDKYMBLN-ITYLOYPMSA-N	497.547	5.320	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S	409096352	JVKCSDOSTXWNIS-FOWTUZBSSA-N	454.960	5.224	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1cccc(Cl)c1	409137529	XXOOUNFHFGJLIM-HAHDFKILSA-N	492.984	5.718	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O	409173250	HXGUVDNFTWPGPP-LPYMAVHISA-N	479.989	5.731	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1C	409193234	HXNLNZDILOAQTD-LPYMAVHISA-N	480.973	6.083	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)c2C)cc1	409215294	WZNONPRJRVWEFG-OYKKKHCWSA-N	489.597	5.395	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O	409222152	AHMVGCOWXMXMAJ-FYJGNVAPSA-N	485.403	5.277	10	40	JKCB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O	409338304	HMJVKXXJDSEWBR-VCHYOVAHSA-N	492.416	5.024	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409347894	NKHDPAIUSOEBIZ-MTJSOVHGSA-N	493.522	5.488	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2237467	UFDBAZJOSLHASW-XNTDXEJSSA-N	461.688	5.778	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(Cl)c2Cl)C1=O)=C\c1ccccc1	8833884	SNRFOWYCRHJBSI-FQHLDWHWSA-N	491.465	6.560	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c1C	9293415	OYXNGHOWPCLHLK-CGYHDWOCSA-N	497.624	5.663	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3cc(OCC)c(OCC)cc3Cl)C2=O)cc1	13914638	JBQOUIGATMQPQB-XDHOZWIPSA-N	456.926	5.120	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15997157	UIOCVXAKKKONAX-CCDWMCETSA-N	498.376	5.472	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1Cl	16487658	VUKPYIUBSVFYOA-XSFVSMFZSA-N	455.901	5.850	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)c1	20032311	MZUKSVJNKARKQS-JLFKZYKSSA-N	453.951	5.192	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	26531952	HUUAASMPVVZRKT-JECJDTASSA-N	498.718	5.267	10	40	JKCB	
CN(Cc1cc(Br)cc(Br)c1O)Cc1c(O)ccc2ccccc12	31666701	MDGLBXLWXXWTIJ-UHFFFAOYSA-N	451.158	5.408	10	40	JKCB	in-vitro
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)c([N+](=O)[O-])c1	32109806	OCMFNLSNMYEJES-ODLFYWEKSA-N	451.866	5.631	10	40	JKCB	
O=C(C1=CN(c2ccc(Oc3ccccc3)cc2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	49003852	NIUNDIGYWKKOAU-UHFFFAOYSA-N	480.973	5.522	10	40	JKCB	
COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	58928581	ZBFXHZRSQRWGQS-UMFSSWHCSA-N	458.514	6.018	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(O)=NC(=S)N1c1ccccc1F	59136012	HCXBDAYUBOSXPS-XQNSMLJCSA-N	482.536	6.230	10	40	JKCB	
Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)C(C)C)[C@@H](c4ccc(N(C)C)cc4)C3)c(-c3ccccc3)c2c1	62620595	JCSLWTBVFHWMFM-HHHXNRCGSA-N	492.623	5.903	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(C)cc4C)=NC3=O)cc21	208473304	FPJNVHPSCKZALU-JJFYIABZSA-N	452.023	6.671	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503302	MJWWJKMKEKHILL-FTJBHMTQSA-N	497.624	5.063	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc2c(c1)OCO2	223862690	VMNDAHVTVACFHL-CLJLJLNGSA-N	484.581	5.101	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172385	ZLCXHNCCEJUNEM-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224467729	DKRZACLZDJJUBM-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(-c2ccccc2)n1-c1ccccc1	408771624	HRVIWBDKCUABMP-JJIBRWJFSA-N	481.939	5.773	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1C	408800963	QMCKGLZSSBAAQD-YDZHTSKRSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)cc1	408810092	OXHUUYFRFUUEPP-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(I)c1	408902965	STLMRPKTYXWTPP-KGENOOAVSA-N	494.332	5.676	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)c1	409009134	BQBLZVSSGXIPIN-BOPFTXTBSA-N	471.365	5.702	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c([N+](=O)[O-])cc1C	409328832	BDCRNHKIZLJNQE-FBHDLOMBSA-N	480.523	5.606	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(Cl)c1OCc1ccccc1	409340187	RXKGQNOUNZGAOY-KGENOOAVSA-N	474.047	6.462	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409343516	HWFYFLQPYOQNDA-ODLFYWEKSA-N	499.957	5.850	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OC	409345678	KAAWREINSUVEQT-MHWRWJLKSA-N	450.379	5.181	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(OCc2ccccc2)c1	409353031	XXIOWRYGLGDKNL-UQQQWYQISA-N	458.583	6.353	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	677942	XVJBAHGCYXCONL-GRSHGNNSSA-N	487.314	5.182	10	40	JKCB	
CCOc1ccc(C2=C(/C=C3\C(=O)NC(=O)N=C3O)[C@@H](c3ccccc3C)c3ccccc3O2)cc1	1248427	YFNYMLOMSAJRTR-VWLOTQADSA-N	480.520	5.462	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1Cc1ccco1	2391610	QQOOOJBVAOBYQN-MFKUBSTISA-N	475.504	5.938	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3C(C)C)C(=O)N=C2O)cc1Cl	2590111	LOIMVHIPQKLNGQ-PXLXIMEGSA-N	491.975	5.523	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)SC1=S	3178364	FWSYWPFNTBTUIG-MOSHPQCFSA-N	464.524	5.188	10	40	JKCB	
Brc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21	8454107	GFWJYDYKVXVUSA-FHSNZYRGSA-N	452.133	5.880	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1O	8820492	QCTHZQWPTKRVDV-DURWOYGOSA-N	458.992	5.222	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	8820556	AOKGYKGGUHZJDR-XPAFPMRLSA-N	466.628	5.652	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccccc1	8872096	NFYGYALFIWYCRE-HYARGMPZSA-N	452.000	6.320	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(OC)c2O)N3)C1	8919547	UMEJCPPRYYOLTQ-NSPYISDASA-N	479.440	6.195	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1C	9261211	LFGZXNLLVRKTIL-YDZHTSKRSA-N	483.008	6.994	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9307031	MEEWREGRWOPSME-YMTOHSTDSA-N	481.625	6.079	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccs1	15012137	MURZFROBZXTOEC-XSFVSMFZSA-N	467.593	5.772	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)cc1Cl	20324921	CBJRRFZJMPGHCX-UNOMPAQXSA-N	474.028	6.640	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	34793843	JXFCGPMFOPQLHL-YVLHZVERSA-N	473.743	5.687	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	35039115	CCRWVLCNLZLSTB-FYJGNVAPSA-N	459.589	5.297	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)N=C2S1	41108095	LSFSVWILUPBFBG-SDOZFXMSSA-N	470.529	5.381	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	58846105	TXKLPWPMFZOFOZ-ISCCLHIJSA-N	460.599	5.885	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2Cl)cc1	103922318	SJROODZFOVSGMB-HMAPJEAMSA-N	497.338	6.047	10	40	JKCB	
Cn1c(=O)c(C(=O)C[C@H](Nc2ccccc2Br)c2ccccc2O)c(O)c2ccccc21	104827484	RHZTVAHQEOJUKO-IBGZPJMESA-N	493.357	5.138	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223458784	WKESMENPMNVXNP-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1Cl	224399647	FLSBXMWVDFAHAO-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(F)c1	224432549	OECNONBORCHUFX-LOSJGSFVSA-N	460.553	5.944	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	408538761	QJWQGCMFHLACKM-HMMYKYKNSA-N	471.351	5.075	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1	408819637	YGBSTZMPZWKHPS-KGENOOAVSA-N	460.917	5.148	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)c1	408864870	ATVRRZNULFIKBH-UDWIEESQSA-N	465.336	5.559	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409017512	XBNARWHVFVWVDS-OYKKKHCWSA-N	495.406	6.668	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409024086	UPHHZHNUXKCFTF-XYGWBWBKSA-N	483.564	5.455	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c1C	409133886	QWVUBFWYNSWOIK-LDADJPATSA-N	485.055	6.001	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c1	409183492	UAHLWMURAPBPEY-NVMNQCDNSA-N	494.352	6.497	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)cc1Cl	409225846	MFPRSWAPCQKAQS-MHWRWJLKSA-N	491.783	6.047	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@H](C)CC	409346664	NXUZEQXKOFMSGD-RBFBNPFJSA-N	482.454	6.975	10	40	JKCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	2411678	HGFPKNBLRJVMQQ-YTDNRYEMSA-N	464.403	5.341	10	40	JKCB	
Cc1ccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)s2)cc1	8820377	UYMVASYSLSREHG-IITPSFRQSA-N	491.663	5.438	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1C	9293593	OSVKIVOTHKUVRQ-OAXZUEFOSA-N	471.561	5.518	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	9428603	JYBCTTGGQDFZBT-AXHZCLLHSA-N	470.783	7.693	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1F	9849718	FHDMOSZCLVKZRB-QRVIBDJDSA-N	483.561	6.348	10	40	JKCB	
CCCCN(CCCC)c1nc(-c2ccc(O)cc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1	16638743	OOPWHFQQJIDLFE-OCEACIFDSA-N	453.568	7.246	10	40	JKCB	
COc1cccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c1OC	20288406	SEQAFXDWZMOJLN-JWGURIENSA-N	470.554	5.451	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCOc2c(/C=C3\SC(=S)N(C)C3=O)cccc2OC)cc1	33430271	CKJMGYORRGXBHA-VULIGXMUSA-N	471.644	5.888	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5)c4C)C(=O)N=C3S2)c1	33670279	YMZGAPHTCWLVJC-NEAWXCLQSA-N	469.570	5.101	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(=O)O)C2=O)c1	33675550	SUWVZUXXGXXBGH-KGENOOAVSA-N	493.610	5.004	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	36082010	OGKUMPMJNJKSBQ-VKPUNFQASA-N	459.619	5.910	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2[C@H]2C=CC[C@H]21	58850067	ZZJBSUAJVLDGMB-CTWZREHQSA-N	482.605	6.476	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c1C	59104110	JUGXOYOUPFGSID-HYARGMPZSA-N	461.949	6.125	10	40	JKCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1Br	59198196	SZPSMHKMYDQZPS-NTEUORMPSA-N	494.139	5.117	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)cc1	83302488	GXTBNIBVEBCOKP-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
CN(C)c1ccc([C@H]2CC(c3cccc(Br)c3)=NN2C(=S)NCc2ccccc2)cc1	95945247	FIGAYQFXACSOSL-XMMPIXPASA-N	493.474	5.741	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223059287	ISFCVIPCUVDQSL-AOYPEHQESA-N	462.663	5.423	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224238399	XHBHZPIWQQBMMK-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1	224433181	ZODGCJNVCWRSLD-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224897984	YBKJVXNLVXVPLC-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(OC)cc2)cc1	408845056	QFKLOFMSWJHVLD-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408889682	IXRZCLXMRHVKNF-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccc(N(C)C)cc3)N2)cc1	408988543	IIDFFNCGVNJULM-SANMLTNESA-N	486.641	5.608	10	40	JKCB	
COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(c2ccccc2)C1=O	409020010	LMYKUYIXPGCBLU-XMHGGMMESA-N	485.323	5.279	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(C)C)c(Cl)c3)C2=O)cc1Cl	409044120	AXVWIFDNPAHTBO-GIDUJCDVSA-N	481.763	5.656	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409085577	DOPUOKBQAQSDIK-FYJGNVAPSA-N	454.592	5.380	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1O[C@@H](C)CC	409347363	PNSKXSXSXHAGEO-PCXKXAPESA-N	459.658	6.390	10	40	JKCB	
COc1cc(N2Cc3ccccc3C2)ccc1/C=C1/C(=O)N(c2ccc(C)cc2)C(=S)N=C1O	666798	GRDBUNLKDCADJA-YDZHTSKRSA-N	469.566	5.195	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cc(Cl)ccc2O)C1=O)=C\c1ccccc1	8763476	BOQPMKAXNWIJPT-QIROLCGISA-N	473.019	5.612	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)cc1C	9232324	ONIJJAMBVGCBRO-JJIBRWJFSA-N	461.608	6.167	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9292191	CCWBFFAKEAZBOD-SSBOKUKZSA-N	499.541	6.142	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)cc1	13648872	REDGDPXZHXVFHN-UHFFFAOYSA-N	498.048	5.370	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)O)cc2)N3)c1	14165941	HRSRIHYHMPVJRL-SLSDLSHTSA-N	460.555	5.321	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)S2)cc1	35419780	PQJNCUOYEVXCEH-XKZIYDEJSA-N	478.526	5.210	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1Cl	40006368	UPCUUNKYZVNLQJ-QLTNSANVSA-N	490.046	5.698	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)cc1OC	58846467	FMYCXDIYMQWKBD-PFPZSTESSA-N	490.625	5.948	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847358	FWHFSRCIGZXADO-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58848991	ZXBGFUHRFSAEHT-WZOHSFFVSA-N	477.542	5.231	10	40	JKCB	
COc1ccc(/C(O)=C(\N=N\c2ccc([N+](=O)[O-])cc2)Sc2nnc(-c3ccccc3)o2)c(F)c1	103833688	IIIVLMFWRBHUKY-JXCWIMGESA-N	493.476	6.553	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)N21	222702742	PRRSIUXSJSWHEU-PUZWTLIVSA-N	467.038	6.131	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	222965289	SICIRBPHZLNGRL-GOTSBHOMSA-N	483.479	6.024	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223049927	PNAHDLIINAQWCX-SXOMAYOGSA-N	470.642	5.651	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223053945	ATJZULMSLIFCFP-XZOQPEGZSA-N	455.027	5.152	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1	223420145	MVFQMJSILUEJGQ-VMPREFPWSA-N	496.680	6.233	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1C	223464725	RWZFEWXUNBSNAA-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223534759	FGFPSCSNLTVDLQ-SXOMAYOGSA-N	467.642	5.619	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223759130	OHNSCONHDQLKKU-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171126	QCRLZDVAHRKCSV-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171178	QCRLZDVAHRKCSV-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21	224358867	WTMGNJADCRNIAP-VSGBNLITSA-N	482.697	7.014	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225031595	LYGXUKFOSHRPOO-DQEYMECFSA-N	474.630	5.191	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(/N=N/c4ccccc4Cl)ccc3O)SC2=S)cc1	408723924	ANBNGQDOUUTKIN-WBNQBQQXSA-N	481.986	6.875	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2cccc(Br)c2)c1	408765529	LTSPHOUGLDUYPQ-SRZZPIQSSA-N	486.196	6.899	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2c1	408771495	IKTZHONUAYSIAM-HZHRSRAPSA-N	474.582	5.085	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1cccc(Br)c1	408844463	SZVGPECNOLUYFM-PXLXIMEGSA-N	476.374	5.358	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1cccc(F)c1	408871264	ZAAOBCGTGFENCR-XSFVSMFZSA-N	478.907	5.135	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	408903132	UUOJROGRIVSKTL-LPYMAVHISA-N	478.551	5.588	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	408905100	SYZPQTSSTUOMAD-CIAFOILYSA-N	493.922	5.311	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)c1	408997531	MXJNTTFHTUBHTR-GZTJUZNOSA-N	499.411	5.333	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409022342	KQSJUSSNKDLUPG-IWIPYMOSSA-N	493.481	6.162	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409091202	RJONNXBAMBWDRV-HZHRSRAPSA-N	492.597	6.273	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC1=S	409101408	XNWWKRQIHMAIPQ-VXLYETTFSA-N	491.421	5.672	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)cc1	409233760	WTKCPFLAFKBCNZ-PDGQHHTCSA-N	485.392	6.208	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2	409335618	XUYRJGJDFYIJFW-SSDVNMTOSA-N	492.534	5.308	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1C1CCCCC1	409344419	JFJOCZZCUZXLHK-WQRHYEAKSA-N	493.404	6.151	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c(Br)cc1O	409346061	NFUDZKNCRPTTML-APSNUPSMSA-N	468.419	5.291	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1cccc(Cl)c1	409387729	PVRHFUKYUASDGQ-SYZQJQIISA-N	468.770	6.159	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)cc1	1240107	ROLPJJZLLZKITC-HZHRSRAPSA-N	459.571	5.473	10	40	JKCB	
S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2cccc3ccccc23)CC1	2690683	YUUGYOJEXVIHSU-UHFFFAOYSA-N	467.421	6.904	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc4c(s3)CC[C@H](C)C4)c2C)cc1	3393654	BDGUSHKPXLFTLE-HNNXBMFYSA-N	465.571	5.107	10	40	JKCB	
O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1	5838595	ULAMKFRJZLAJEZ-QHCPKHFHSA-N	488.887	6.371	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9293469	GKUYPLDRISBLSA-JFDFMHGASA-N	457.534	5.209	10	40	JKCB	
Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C	10112129	FEEIFIJSZCUBCK-UHFFFAOYSA-N	491.657	5.333	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1C	13810521	DSGHDJGLAVQQSG-QCRXEWDHSA-N	495.604	6.277	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1	27549562	OCOMNLUGGBZOAH-NKFJNAIASA-N	462.575	5.036	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1C	33919403	ZPOSJXHQDXKASP-XVCGDLFISA-N	467.598	5.573	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc(C)c1O	38185986	YJNKAUXXPUFOKW-WYMPLXKRSA-N	470.569	5.984	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)cc1	58848485	QEEIFOCNCBVGRC-XXAUWVGASA-N	492.597	5.340	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1	58848501	AQLHMZSVRLNLMS-SGIRGMQISA-N	477.542	5.231	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br	59136038	XZPIWVSUOWZZJL-YRNVUSSQSA-N	483.746	5.312	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)C(O)=NC(=S)N1c1ccccc1F	59136415	ULPUKHUUJOSSRE-GHRIWEEISA-N	466.921	5.730	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422604	YPWZNVASOSTCMU-NHDPSOOVSA-N	464.612	5.395	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCSc1ccc(C)cc1	113830397	QMOGOVXWSLXHDN-JJIBRWJFSA-N	493.675	6.581	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1	223536535	RMUYDSMDJKVRRU-RPBOFIJWSA-N	474.033	5.710	10	40	JKCB	
Cc1cc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c(C)c1	408576040	PJJLGIYQFRLWEU-HAHDFKILSA-N	488.634	6.035	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)O)o1	408634019	QZYMNOKBVKKOPO-UDWIEESQSA-N	471.966	5.525	10	40	JKCB	
COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408721582	VDLPKKVTGLGPHE-UHFFFAOYSA-N	493.382	5.206	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccc(F)cc2)c1	408801303	UZLGEYAFRSYGGF-UDWIEESQSA-N	494.906	5.042	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12	408805896	IBPFPNLKVHDAOC-BUVRLJJBSA-N	482.923	5.739	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)cc1	408866418	HFOOXOFSOFIALQ-KOEQRZSOSA-N	496.950	5.759	10	40	JKCB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408898789	MZYWBLBNSKQVGF-ONUIUJJFSA-N	492.600	5.867	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N(c2ccccc2)C1=S	409022884	HOBKYPUKVBQZIH-ULJHMMPZSA-N	457.599	5.356	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1	409107868	XIDLBIRZNYZZFO-UDWIEESQSA-N	479.514	5.392	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC1=S	409148871	SZMAROCDYWLANW-FBHDLOMBSA-N	485.472	6.309	10	40	JKCB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	409177405	DKSXJXPJHZWFIG-HZHRSRAPSA-N	459.571	5.332	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)o2)cc1	409179732	UOJXJWDOHIVSPN-AQTBWJFISA-N	452.582	5.285	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	409228113	UGANQIKMMHDLPO-HZHRSRAPSA-N	457.599	5.357	10	40	JKCB	
Cc1ccc(C(=O)COC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C	8450084	PHECPWJGJWWHNA-UHFFFAOYSA-N	470.528	6.746	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1Cl	8743419	AXQYLURZSIUZBQ-LFIBNONCSA-N	457.269	5.769	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	8821294	LDJWFMAXZAHFCW-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9009487	CLYLPRZDXXOGPF-GRRODGBQSA-N	490.589	5.510	10	40	JKCB	
Cc1ccc2c(c1)C=C[C@@H]1N2[C@@H](C(=O)C(C)(C)C)[C@H](c2ccccc2F)C12C(=O)c1ccccc1C2=O	9240285	ITXLGXWWAMYBNM-GMQQYTKMSA-N	493.578	6.183	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14165967	BENOFBBFLVYEIC-CZSZKKDXSA-N	450.991	6.276	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Cl)c3)SC2=S)cc1	16292277	CDRDDKPBASOPLV-QRVIBDJDSA-N	484.017	6.768	10	40	JKCB	
COc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccc(Cl)cc32)cc1Cl	49004003	CHQVSEUTQLDSKU-UHFFFAOYSA-N	481.401	5.027	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc2ccccc12	58865835	RSOBRHMDRUUFMP-UHFFFAOYSA-N	487.464	5.111	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccccc1	59135811	IGDXPVKQADBYQE-XMHGGMMESA-N	476.529	5.475	10	40	JKCB	
O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1cccc2ccccc12	113830596	BWMQLPHPKLEPFZ-DJKKODMXSA-N	470.369	5.737	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223423143	BUNYNBQKFVXHPE-VSGBNLITSA-N	498.652	5.679	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cc(Cl)ccc1O	223454302	ZHWYNQXRGAVHAV-DQEYMECFSA-N	490.032	5.416	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(F)c1	223459867	RRJGFMULEYTVTM-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223839243	RRYFFPUNHSUSNA-SVBPBHIXSA-N	484.625	5.765	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1O	224400942	UFQYXXUMXRBWLJ-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1	408575511	OOESUESBUGLICY-XKZIYDEJSA-N	484.643	5.329	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C	408757243	LHTCHTIBACMFFL-GZTJUZNOSA-N	474.779	6.168	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)C1=O	408865012	ACOROWDTZHUXBH-JCMHNJIXSA-N	474.944	5.456	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1	408938808	RPYXEKFPKKLOFK-MTJSOVHGSA-N	467.308	5.239	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409052230	GVFNVELZRYISDQ-FMCGGJTJSA-N	495.406	6.587	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409067862	RMYOPXRKPNLJSM-UKWGHVSLSA-N	460.748	6.152	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1	409123930	FXQTWQUXZGSCDU-WQRHYEAKSA-N	476.863	6.019	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1	409131180	MHXFLSRSWYGPJD-IWIPYMOSSA-N	490.606	5.723	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12	2994222	YANKBOYLVZJZNV-WMEYRTBOSA-N	477.889	5.176	10	40	JKCB	
Cc1cc(-c2cc(NC(=O)c3ccc(F)cc3)n(-c3ccccc3)n2)c(C)n1-c1ccc(F)cc1	3197601	ZUBUFGJGHKMNGE-UHFFFAOYSA-N	468.507	6.477	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1	8819757	GBVOLNJULJZJHB-HKWRFOASSA-N	492.588	6.414	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1	8819863	OCHAVPVAAMINAO-HKWRFOASSA-N	485.587	5.004	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	8821488	NHTDCOMSZGVSPX-YBFXNURJSA-N	466.496	5.267	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCCC[C@@H]2C)c1O	11869516	IUJXAJIMXMCGJP-SFHVURJKSA-N	473.617	6.113	10	40	JKCB	biogenic
CCC1=NN2C(=N)/C(=C\c3ccc(OCc4cccc5ccccc45)c(OC)c3)C(=O)N=C2S1	13940232	BFGIOLJCESKXRP-HLUGXMBVSA-N	470.554	5.457	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	14010526	GWOBUCBQZWTZDS-XYGWBWBKSA-N	490.987	6.023	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14166084	DBOJZKQDBJNHBA-CZSZKKDXSA-N	485.436	6.929	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Br)cc1	15161998	YKJMQPTYJSHAOV-YHDSQAASSA-N	490.397	5.642	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3C[C@H](C)O[C@H](C)C3)c(O)ccc2c1=O	16852314	QSIZQPJHUOIPMR-GASCZTMLSA-N	493.478	5.318	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1C1CCCCC1	59109546	HSRXISHUOHXNOA-LTGZKZEYSA-N	475.520	5.494	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1	100087578	YNIGUAFLQUVEAR-DEDYPNTBSA-N	483.351	6.625	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(Br)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113830463	USXUCWFQLRSNOM-IZZDOVSWSA-N	490.154	5.119	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	113833323	IWYHPAXDMSNEBG-FSJBWODESA-N	489.553	6.143	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S	113836811	VALCXHONXNEKDI-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223053386	LYNKLAQBOXHIMA-XZOQPEGZSA-N	455.027	5.152	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223758108	YKWFCQABQNKHQC-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	224154227	ZHXINBZRMSLSRV-JWQCQUIFSA-N	492.570	6.685	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224206223	JGWJMPXDFROVKD-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224301477	QUIIVMQEXNECAD-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224438676	ZRNGPBLKFFNCOU-JWQCQUIFSA-N	457.578	5.509	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(F)c1	224464103	NILGWNJGBORCTO-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	224885737	ZVXMAOMXGRWNKD-JWQCQUIFSA-N	491.016	5.725	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1-c1ccccc1	225621886	SROKGIZLOALRQS-KAYWLYCHSA-N	499.615	5.321	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1	260919651	MRNQGEBYJCQDGU-QGUKFAFCSA-N	460.647	5.257	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)C(=O)N1c1cccc(Cl)c1	408725163	DAURXVMEURROFK-SJZNRDSESA-N	485.952	7.855	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)c1	408804603	AZQCIGFPNXNZAY-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(Cc2cccc(F)c2)ccc2ccccc12	408876777	NQRXYESCQAXIEH-KQWNVCNZSA-N	468.459	5.375	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1F	408933776	BFHCRZYYZMPTSH-PXLXIMEGSA-N	458.489	5.245	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)ccc1OCc1ccccc1	409053817	QGPFJRYVRDWVIY-TURZUDJPSA-N	474.556	7.313	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409211547	NVKIZIDTUKPSJS-OEAKJJBVSA-N	465.018	7.286	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	409341813	CGXMUFQMFUYTPV-RQZCQDPDSA-N	468.383	5.341	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OC	409345226	KRZMPPAVPRNZRB-YBEGLDIGSA-N	468.369	5.401	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br	409350399	YFDLEOUDWIPWIQ-LICLKQGHSA-N	468.825	6.297	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1C	2061604	NAPSGDPSELYNLA-LDADJPATSA-N	464.631	5.435	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1	2096597	VUKJILLDBZDVEJ-XIMBIKLVSA-N	474.689	6.564	10	40	JKCB	biogenic,in-vitro
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	2217071	CSFINFIFGOGTOC-LICLKQGHSA-N	451.400	5.532	10	40	JKCB	
COc1ccc(CC(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1OC	3430648	JPQPBHHZTLNGRV-KRWDZBQOSA-N	487.499	5.070	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(C)C	3768714	HKZOTZSADJHYTO-WOJGMQOQSA-N	464.406	5.651	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1Cl	4408253	FRAUMKYBCRCLKF-FDLDKBQRSA-N	461.930	5.913	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	8763392	BWKZUODPYZVKAE-MOSHPQCFSA-N	492.018	5.384	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1	9075948	RRGNPUHOAMNUIZ-XWCAUFEOSA-N	459.458	5.035	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1C	9232293	HTFUGWOVWWECLA-OEAKJJBVSA-N	476.579	6.196	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1	9282589	FHPMCXKQOMHWKP-SMKDVUIYSA-N	471.611	5.604	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)cc1	9309594	DJEGEXQRTZSTKU-YNRWKYOSSA-N	483.597	5.409	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)cc2)cc1	12411763	SZGUWLDVMTURRF-PHHYAJJQSA-N	462.634	5.450	10	40	JKCB	biogenic,in-vitro
Cc1cc(C(=O)CN2C(=O)N[C@](CC(C)C)(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	13068883	KNXPGTMAMMWLEQ-SSEXGKCCSA-N	485.628	5.894	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)c(C)n1-c1ccc2c(c1)OCO2	13141966	BGFRURCSXCDWQS-QGZVFWFLSA-N	496.563	5.536	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	13787321	FQPNWGYRGOZIES-VTGHKQSHSA-N	475.618	5.611	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	40940304	PTLFGMLEGQDHGV-DEDYPNTBSA-N	468.987	5.438	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br	113830497	NMZQARMPTIEJCT-OVCLIPMQSA-N	474.323	5.882	10	40	JKCB	
O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(I)cc1	205768883	FJFYQXRIXXXLLO-CPNJWEJPSA-N	490.366	5.128	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466012	ZTXKAHFEFGVKNW-CLJLJLNGSA-N	488.060	6.019	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1	223857541	RDQMCYHBAFCPGP-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(=O)O	224434800	BRJQNRJMWBZUMU-RPBOFIJWSA-N	486.572	5.504	10	40	JKCB	
Cc1c(Cl)cccc1N(CCCC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1)S(C)(=O)=O	260845583	UMAASURVMACWHD-HXUWFJFHSA-N	492.085	5.062	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)cc21	260925682	WTMGNJADCRNIAP-NSOVKSMOSA-N	482.697	7.014	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1	408773273	UQAUGNUUEMIOKU-HZHRSRAPSA-N	483.955	5.626	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1	408867622	JEESADDRQPHLAX-PXLXIMEGSA-N	478.907	5.135	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(C)n(C3CCCCC3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409018511	HONHFHNBXHVRQV-PXLXIMEGSA-N	470.038	5.827	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	409045983	QPYWQFWIJVNKTK-XFFZJAGNSA-N	487.211	6.755	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O	409106211	MWGXNCFYJSJGRW-RCCKNPSSSA-N	462.958	5.720	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21	409126442	OYOHWEIUUDIBAH-XYGWBWBKSA-N	488.634	6.413	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(Br)c4)C3=O)o2)c1	409216056	DPBINWJOIVEFBQ-YBFXNURJSA-N	484.327	5.644	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Br)cc1O	409338326	HUHSQRZCYRGOGA-PJQLUOCWSA-N	491.215	5.876	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1	409347816	MXSLKLCPRFTZID-KQWNVCNZSA-N	453.629	6.198	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	409348294	SJHWXGDMRHRQSH-LICLKQGHSA-N	498.409	5.350	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2451527	IMTRWDSSHNCHHV-ISJGIBHGSA-N	453.925	5.362	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nc([C@H]3CCCO3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	8728292	UEFMCJJHERYJSD-KBXCAEBGSA-N	462.522	5.029	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)c1	8819172	MUDZXGUSGPJXMB-WQRHYEAKSA-N	481.426	5.622	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc(O)c1	8872496	QACBSBCPQSNTMH-QGOAFFKASA-N	474.343	7.430	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1	8919872	IVWULXATDPVHCT-MGNBDDOMSA-N	483.859	6.840	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	9158571	RKXUIGFXSINPIV-PELVVCESSA-N	488.444	6.456	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(Br)cc2)C1=O	11859678	XIPSSBHMPRFYBM-JOEZZVDMSA-N	473.417	5.235	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC	33430146	BEFOBVPINSRVJA-YLPLVBRQSA-N	485.671	6.278	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3F)c(I)c2)SC1=S	33567428	LOKKAFCLYBUUBM-YVLHZVERSA-N	499.370	5.230	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	40840464	YNRJUVNBNGXXTL-PDGQHHTCSA-N	464.406	5.652	10	40	JKCB	
CCOc1ccccc1/N=N/[C@@H]1C(=O)N(c2nc(-c3ccc(Br)cc3)cs2)N=C1C	100525161	HNMNNQWBCIPMFF-ZFZZVZNFSA-N	484.379	5.846	10	40	JKCB	
CN(C)c1ccc([C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)Nc2ccc(Cl)cc2)cc1	104827671	LCYAJJNEIFPDCP-JOCHJYFZSA-N	475.976	5.390	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)c(C)c1	208219272	WVNLLNWJCAVQHK-QRAWFLTRSA-N	477.630	5.700	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1F	224868995	APNREYPADFNAIG-JWQCQUIFSA-N	493.007	6.164	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408894403	QIMVGPOSYPMNJV-DIBXZPPDSA-N	483.564	5.932	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccccc1	408902350	NDXLMKBJUZAAMQ-FYJGNVAPSA-N	477.358	5.843	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc2c(c1)OCO2	408972289	OXLFIWFGOKJPRD-ODLFYWEKSA-N	496.441	5.351	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409051117	AECFRYKRKCGARG-FBHDLOMBSA-N	499.369	6.417	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409090990	SBSVXHBKZCXHTP-QGMBQPNBSA-N	467.374	5.389	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	409136736	UZFZKNBLSLZBJP-UCHNXLLDSA-N	494.638	5.109	10	40	JKCB	
CC(C)Oc1ccccc1/C=C1\SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	409368477	XRHCYAUEBHXQQR-MFOYZWKCSA-N	482.414	5.719	10	40	JKCB	
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(C)c(C)cc32)S1	1761320	VRMRDXOXCXTEIU-NKFKGCMQSA-N	453.654	6.568	10	40	JKCB	
O=C1C(=CNc2cccc(C(F)(F)F)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	2080987	WKIGHUBPWVEDQU-UHFFFAOYSA-N	463.500	5.457	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	8821507	FHUUYTGNBWTIHP-KGENOOAVSA-N	466.540	5.307	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc([C@@H](C)CC)cc1	8984607	NHCWMTAYITZMJZ-YSRPOPIVSA-N	499.698	6.668	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)SC1=S	9635972	WPFDWYUAHWMJLZ-HAHDFKILSA-N	462.640	6.515	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(NCC(C)C)nc12	13713892	HKDGUQUAWKTMFM-ODLFYWEKSA-N	499.061	5.126	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(Cl)nn1-c1ccccc1	13893822	AGHOWFSMLSULLV-QDLOHUEYSA-N	493.017	5.344	10	40	JKCB	
Cc1ccc(Sc2cc3sc4ccc(C)cc4c3c3c2C(=O)c2ccccc2C3=O)cc1	35323599	MWJWEUWVUCYSLT-UHFFFAOYSA-N	450.584	7.598	10	40	JKCB	
CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)cc1OCC	36611141	FQNKZOSVPZBFAE-QGOAFFKASA-N	476.451	5.311	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)c1	58848781	GEICOGDNZHJQBW-UZINWLIJSA-N	462.571	5.331	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59139011	HLWVBZTVPKXGJN-WPWMEQJKSA-N	493.538	6.125	10	40	JKCB	
CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C1=O	102759460	PROHNLRRZLTDRT-QNWVGRARSA-N	499.350	5.149	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	103563537	HMXMMIRBHMMABF-DDSBZIKFSA-N	489.597	5.769	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223312886	MRNQGEBYJCQDGU-OUIFVKKZSA-N	460.647	5.257	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466165	ZTXKAHFEFGVKNW-UIOOFZCWSA-N	488.060	6.019	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(F)cc1	223496186	JPBSFVWJBDNQNG-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1	223497128	KHICGZJHLQVOOH-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223551395	RDBQYEHUETWOMW-OVBDPADQSA-N	461.631	5.327	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223824895	OSPGOYIBIJNUQB-SXOMAYOGSA-N	483.641	5.768	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224335564	DHEUGVNUVNUOEM-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431181	VXJSWLXCVISJPV-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1F	224902548	YSENLLOTBKGYCT-XCZPVHLTSA-N	484.644	6.731	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)cc1	408800382	OQUIQFDPOYYCOI-DEDYPNTBSA-N	491.341	5.003	10	40	JKCB	
O=C1/C(=C\c2cccn2-c2ccc(I)cc2)SC(=S)N1c1ccccc1	408967406	VPPZGBNGVJEQSM-QGOAFFKASA-N	488.375	5.488	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408998906	JIVOWSRUWQRDEV-LDADJPATSA-N	458.926	6.118	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N(c2ccccc2)C1=S	409017718	GTVXEUXJIPSHHY-QNGOZBTKSA-N	475.526	5.117	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCC(C)C)C1=O	409050128	ZECUBLRVVBXAPC-FRKPEAEDSA-N	481.763	5.656	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409059110	PDZPGOYUNFTBGZ-KQWNVCNZSA-N	462.590	5.416	10	40	JKCB	
CCN1C(=O)[C@H](Cc2cc(OC)c(OCc3ccc(C)cc3)cc2Br)SC1=S	409160199	DTAZRPRWINCHFJ-IBGZPJMESA-N	480.449	5.136	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409327735	MDTDVNIHUMXEQZ-PXNMLYILSA-N	488.909	5.375	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccncc1	409329756	IBRBRRQBMXNGPT-UCQKPKSFSA-N	462.596	5.692	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O	409333597	URERKYRSNRVXKW-VIZOYTHASA-N	460.791	6.157	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1	409349208	UXJYWGCDPXYUFK-XDHOZWIPSA-N	488.453	6.837	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(Br)cc1O	409351199	ZZKSFSUOYSSCNN-GIDUJCDVSA-N	456.770	5.223	10	40	JKCB	
COc1ccc(CC(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1OC	3430645	JPQPBHHZTLNGRV-QGZVFWFLSA-N	487.499	5.070	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)c1	3771401	SCNYABRKZRFXDC-NLRVBDNBSA-N	475.548	5.736	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc12	4289747	OKLUCGPABODFKT-MRXNPFEDSA-N	467.487	6.712	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	8819772	ZSDPADJCVHRBDY-JWGURIENSA-N	466.628	5.598	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1Cl	9113301	WOVWGLPNYJSZAX-FYJGNVAPSA-N	481.379	6.777	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	9193126	UJRFZJYBMFFFBT-QUNGTTEVSA-N	484.368	5.661	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	9309105	PUKLQOIXWJFUHC-DZCSLESKSA-N	494.407	6.068	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)cc1	9434397	PVNPGSSRAVXRCX-JTMDUIFQSA-N	472.588	5.397	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1OC(C)C	9634846	JQXSJTWBNPDMJW-MFOYZWKCSA-N	464.952	5.450	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	9884840	LDZCRPXIBFTOBB-SFQUDFHCSA-N	469.506	5.812	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)N=C2O)c1	13810459	WWNAYVQTJRPARH-UNOMPAQXSA-N	479.330	5.505	10	40	JKCB	
COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	14358300	RMECUGTUSCJDHV-UHFFFAOYSA-N	487.412	5.965	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16448981	LJRHXSMIEVGAJO-BKUYFWCQSA-N	493.522	5.488	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S	16791056	SNIHFCVWZRIKJK-OOWUWCJESA-N	478.477	7.127	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cccn2-c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(Cl)cc1	20210197	HZEKUSUIRPYHSQ-YBEGLDIGSA-N	471.256	5.199	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(F)cc1	26675980	QQRDDDVQBFCEHM-OAXZUEFOSA-N	492.576	5.613	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	33145045	ZUIQVQWIEXQRDW-AKBYMASVSA-N	474.464	5.017	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(C)cc5C)c4C)C(=O)N=C3S2)c1	33670761	NYJZIZFANNEWBV-YLOHPIGASA-N	497.624	5.718	10	40	JKCB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847587	JINJBIMCUBAUTC-YZUZCNPQSA-N	481.961	5.876	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223458739	WKESMENPMNVXNP-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223981930	OTWLPPRQJBVZGV-IZZNHLLZSA-N	496.640	5.328	10	40	JKCB	
COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1	408574311	LRHAZLCOKBJCEK-XKZIYDEJSA-N	494.569	5.258	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)c2C)cc1	408631723	BEVWLOJPAOWGKS-HMAPJEAMSA-N	461.543	5.365	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1	408786313	PFSMSIJDEWBQJG-HYARGMPZSA-N	469.928	5.318	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1	408878518	ACVJBKOUAAIGJC-DEDYPNTBSA-N	478.907	5.287	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)c(Cl)c1O	408902473	OEHQEZJQVZTRHZ-UKTHLTGXSA-N	470.797	5.613	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C	408903424	XPPANVACNVUYIZ-WGOQTCKBSA-N	493.523	5.996	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2Br)cc1	408996419	DNXYQKMBKOYQBL-RCCKNPSSSA-N	463.331	5.301	10	40	JKCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409015845	BXNKRXZAJADHIY-KECVIQKOSA-N	467.816	6.345	10	40	JKCB	
CC1=NN(c2cc(F)c(F)cc2F)C(=O)/C1=C/c1c(C)n(Cc2ccccc2)c2ccc(C)cc12	409039493	REFHONXAAJHCGL-UDWIEESQSA-N	473.498	6.530	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409065160	DOWIGUBXJXVDRW-DWGAWOTKSA-N	498.579	5.315	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1OC	409144662	ZFCLWBMLTDKSAC-MOSHPQCFSA-N	491.034	5.382	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)cc1	409148528	ZQENPXPWQJXDIH-BUVRLJJBSA-N	479.605	5.446	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1	409234667	OTYVKAYOWYSDNV-WSDLNYQXSA-N	497.542	5.561	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	409329511	DWVGVCIUPUZQNA-FYJGNVAPSA-N	483.014	5.827	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC	409346535	KJHIQYCPOTVIJN-YBEGLDIGSA-N	484.824	5.916	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	3347808	DZTYREZSEOQEJO-SNQZOLJRSA-N	484.455	5.432	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	6057119	HRNHLSMYFXVRRX-PLXFJCCSSA-N	491.569	5.621	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)cc1	9293323	QFVIESGQNAJYIF-FKSIKXIZSA-N	473.627	5.580	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1	9293474	WDYBAGSZPYVCJF-QFOSJIQNSA-N	461.635	6.246	10	40	JKCB	
COc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O	10058976	HQSFEXHMGAEBCO-XTZNXHDOSA-N	465.413	5.805	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1	13569361	FGHYZWKTMFUKRZ-XYGWBWBKSA-N	463.537	6.067	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4)C(=S)N=C3O)o2)cc1Cl	13801751	QEVYIXMWSFXXCC-YBEGLDIGSA-N	487.320	5.623	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	13897471	FZSFHBKRKLELFV-CVLZIASDSA-N	482.993	5.607	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1cccc(C)c1	14132858	ZQQDXXWUWGQYJD-UDWIEESQSA-N	490.943	5.211	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccccc1	15011569	WGNUCKSCLFGBCD-UDWIEESQSA-N	479.495	5.701	10	40	JKCB	
COc1ccc(N2CCN(c3nc4c(-c5cccc(C)c5)nnn4c4ccc(Cl)cc34)CC2)cc1	20859755	VIDUWUBRKHXSDG-UHFFFAOYSA-N	484.991	5.242	10	40	JKCB	
CCCCCCN1/C(=C/C=C/C2=[N+](CCCCCC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21	25763811	PNMPJDLFFNXIGW-UHFFFAOYSA-N	497.791	9.461	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cc(C)cc(C)c3)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	33645867	PMEUFVAWKOORMA-UUYOSTAYSA-N	478.526	5.265	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\C(=O)N=C(O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1	34380237	SCYNBPGKZVCOMX-KOEQRZSOSA-N	497.526	5.429	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OC1CCCC1	36613116	LTPTUYXOCSGJQD-NVMNQCDNSA-N	470.454	5.636	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	41108004	HNZWINRLUDTJDF-HMNUCEKESA-N	496.592	5.811	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cc([N+](=O)[O-])ccc3Cl)N4)sc2c1	58851152	KYBLVMWQHMZLHA-FUMQJTLXSA-N	473.985	7.660	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(N(CC)CC)cc1	102788961	HOONQNIPBWDNBM-IIMAJNMQSA-N	483.612	7.086	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1C1CCCCC1	113832180	BGDGBAGQKVBBPT-FYJGNVAPSA-N	462.011	6.592	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223389141	FQLJXNXVRDDDSR-IAPPQJPRSA-N	466.654	6.279	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223535014	ATQYHPBFVVFHAW-SXOMAYOGSA-N	467.642	5.619	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1	223703372	QZQKNLAVOUWDCP-JLJGYXLTSA-N	457.574	5.227	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224269489	KKZINBHYAVWVDS-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1C(F)(F)F	260762642	GXZMLBBQNAHFAQ-KBJGYGKASA-N	456.537	6.097	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(C(F)(F)F)c1	260788397	ZSKQKALSLKSRMC-UJUVCNOISA-N	456.537	6.097	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1	408531295	MRKYMBGTMWKDAA-FYJGNVAPSA-N	454.041	7.205	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1ccc(Cl)cc1	408571495	BGQDGBNWTCHYQT-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1	408643502	BIMWVZWHAZBNJI-UHFFFAOYSA-N	455.352	5.215	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1	408831040	UVQDWRDLVSGXCF-VHSZZVNMSA-N	490.441	7.480	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1C	408854897	KMFGEDJMNCFJMO-MFKUBSTISA-N	455.558	5.501	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)c(C)c1	408866093	FQFBYAWQVZTKOS-YZSQISJMSA-N	478.523	5.853	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(F)c2)C1=O	408885971	CCUSBFJWSXVIQO-RGVLZGJSSA-N	499.325	5.686	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br	408986642	RUOSNFMMZOFJQK-LDADJPATSA-N	498.779	7.112	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409011255	FUVHBGRZTGSPOF-JCMHNJIXSA-N	494.513	5.986	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=S	409018677	ODLXKCHMTRDXJL-NLRVBDNBSA-N	493.632	5.952	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409069770	ACLPSZFPNBMHIR-VCHYOVAHSA-N	460.748	6.152	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(CC(C)C)C4=O)c3C)cc2)cc1	409130515	WEGFAIIRCFLDKK-MYYYXRDXSA-N	476.598	6.587	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	409144621	MCGPUGZWUXIPIG-XMMPIXPASA-N	481.614	5.427	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)SC1=S	409206141	MNDOEOPMFXJLGM-IWIPYMOSSA-N	457.624	5.954	10	40	JKCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)cc1	409242478	NWPMUNWXSUVJFL-DEDYPNTBSA-N	484.524	5.688	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)c(C)c1	409343189	CUTPRHKNIYKCSD-PKAZHMFMSA-N	481.642	7.441	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3ccc(C)s3)C(=O)N(c3ccc(C)cc3C)C2=S)c(C)c1	677851	UGEPRHTUPWDYSX-UHFFFAOYSA-N	460.624	6.039	10	40	JKCB	
COc1ccccc1NC[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21	1829203	KYZSHBQIKNTYFV-HHHXNRCGSA-N	498.626	7.610	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1	2714304	SQQDGSZCEPKKSG-UHFFFAOYSA-N	475.596	5.731	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(F)cc1	2962778	TZLXJVGHIKVASQ-WQRHYEAKSA-N	451.972	5.678	10	40	JKCB	
CC(C)(C)c1ccc(OCCCn2cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1	8411380	RUSOBYVFVPLLOQ-FJVWWGQZSA-N	485.613	5.657	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCCC2	8455347	QDPCATIORLNJPG-KSCDAYEDSA-N	489.678	6.220	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	8492188	LXVVSUWSBSPNIC-TVRHKFALSA-N	468.966	5.347	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1	8872163	SORNLOHJNWNQCK-RCCKNPSSSA-N	486.398	8.342	10	40	JKCB	
CCOC(=O)[C@H]1CCCN(c2cc(Nc3ccc(OC)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1	9015664	COFPFXTVGQCWKI-KRWDZBQOSA-N	497.551	5.571	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C(C)C)cc3)C(=O)N=C2S1	9270296	AHWHBAXRZBLSFC-QGNOBFDASA-N	476.602	5.605	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	9804742	FTKKVBGONZFKBS-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)cc(C)c1	9957743	ACCKPGZZPPSGQE-PXLXIMEGSA-N	457.617	5.381	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3nc4c(C)cc(C)cc4s3)C2=O)cc1	10232910	AZWIUHVOOLJTOA-PDGQHHTCSA-N	483.640	5.152	10	40	JKCB	
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)c1	13114582	RJNSZLXTQLCLGZ-MYYYXRDXSA-N	498.583	6.386	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(=O)c1cccs1	13546294	FKHVJXFGGLPSBO-XDHOZWIPSA-N	498.563	5.290	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1cccc(C)c1	13766103	CRSGYCIRPWMTSJ-PXLXIMEGSA-N	467.612	5.757	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847443	YSEUKCPLXVPMGJ-SGIRGMQISA-N	495.000	5.754	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1cc(Br)ccc1OC(C)C	96193294	IWUZXRQCCUKPCE-SXGWCWSVSA-N	477.742	5.394	10	40	JKCB	
CC(=O)N(c1nc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1c(C)cccc1C	97990594	DPLLXHDFHYTUQR-UDWIEESQSA-N	462.600	5.835	10	40	JKCB	
C/C(NC1CC(C)(C)NC(C)(C)C1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920562	XATZMURVCAUIAP-XLNRJJMWSA-N	473.646	5.220	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21	208240053	FPNVUFIXMHATDZ-AGZSBTIMSA-N	488.440	5.547	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223763889	ZOFGOHKQIJHFCY-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223903295	BUNXXMWLDLSTDI-CLJLJLNGSA-N	482.657	5.436	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224365894	AJLSUCLJQPWOEF-FQLXRVMXSA-N	480.681	7.098	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224369230	RUMRZFOLXZJJFP-WDYNHAJCSA-N	496.680	6.798	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224463655	ODCKYLCWONNEGU-SVBPBHIXSA-N	487.072	6.882	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224565888	JCIMUFGVMTUVAL-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(F)cc1	224869488	VIRQAKBXHBSAQR-DQEYMECFSA-N	493.007	6.164	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408787334	XZQBNJSOMUQZJT-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)c1	408869367	CJTOMRVOIJYJDM-HYARGMPZSA-N	462.908	5.353	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Br)c2O)C(C(F)(F)F)=NN1c1ccccc1	408970900	AILOEZCXDJHNBY-GHXNOFRVSA-N	490.073	5.266	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCc1ccccc1	409040502	YMEYIDIVNPLGKR-MHWRWJLKSA-N	488.412	5.776	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409052053	GDEAJLFNKVPPAN-MYKKPKGFSA-N	495.406	6.587	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1O	409092930	XWRKJEIVORDKDJ-UYRXBGFRSA-N	463.331	5.388	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)ccc1OCc1ccc(F)cc1	409142171	RRRFMCOVWYJPFE-QHCPKHFHSA-N	473.635	5.765	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409168891	OFIOFGCKDFEYTD-RLSLOFABSA-N	462.387	6.960	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409181024	YNZDYJKMVWMMOX-KEBDBYFISA-N	486.977	5.991	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c1	409237532	VCQYXFVOGCVXMW-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)c1	409330733	MAZMONSWIUYDAC-WYMPLXKRSA-N	493.028	7.196	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409333638	UWOPXOZCVURBHL-SSDVNMTOSA-N	481.982	6.054	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)c1	409343357	GYRDESJUISOVAI-YBFXNURJSA-N	488.999	6.636	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O	409345264	KWKGRRFNZZROMD-DHRITJCHSA-N	475.679	6.877	10	40	JKCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409389388	AWKOKDTUDNKFCJ-XDHOZWIPSA-N	491.334	5.058	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(C(F)(F)F)c1	2700575	SMOABVZYPROIBV-LGMDPLHJSA-N	484.590	6.167	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)s1	8820518	XCXSXLUFYLPZMR-SFXQBQATSA-N	472.661	5.057	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	8843027	OFBSSUNXGBNOHZ-WQRHYEAKSA-N	465.849	5.321	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	9282645	NZYJLLKSQAGURW-BDPOZWGGSA-N	457.534	5.209	10	40	JKCB	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)oc2cc(Br)ccc12	12062945	RSVMFULZIFJWLF-HXUWFJFHSA-N	471.395	5.391	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2Sc3ccccc3N12	13541113	NGZVFNSMCXKWOS-YIIWZEITSA-N	487.580	6.039	10	40	JKCB	
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	20970425	FVQNWLIMDQRUPK-DEOSSOPVSA-N	457.965	5.683	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	27533822	MPIZVWQJRWJLPD-VHDUERLVSA-N	462.575	5.181	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)c1	59198280	HTNJFQHRCCOOKA-KGENOOAVSA-N	491.341	5.207	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@@H](NC(=O)C(C)C)C(Cl)(Cl)Cl)cc1	102623536	DYBWMFLPTMRDPD-OOIVEFLKSA-N	494.806	5.340	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21	208195203	DUPVWLRDMXIJFN-BXUJETTOSA-N	498.446	5.002	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)c(C)c1	208237622	LJIUFFVRNAFPSR-VBHHZLGVSA-N	454.039	6.761	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223467658	QBJDKXWMPXPRJP-IXCJQBJRSA-N	481.669	5.928	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224622770	RORKYQWFPIJZFR-UIOOFZCWSA-N	498.608	5.158	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224837335	XVLOTEWUKONBJS-IZLXSDGUSA-N	498.652	5.992	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1	225838461	WQZYKBAPTIDFHK-FQEVSTJZSA-N	463.672	5.863	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NC(=O)Nc1ccc(Cl)c(Cl)c1	408534493	VSIKYRQMOPGABE-ZROIWOOFSA-N	482.165	5.492	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)c1	408572786	IHMDXHRRVYPRDD-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	408577229	RYMFSWIOZITARK-XKZIYDEJSA-N	484.643	5.329	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)cc1	408813605	QTRCXHMNXHNFMD-YZSQISJMSA-N	492.531	5.402	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2Br)N1c1ccccc1	408847151	ZUKNXNSHMMNCRP-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C	408966407	LKYACAXDMWXCBQ-UHFFFAOYSA-N	489.575	6.240	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)c1C	409137697	YHLUKQRICYALEE-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(Br)c1OCC	409327568	KWCCITGFMLKHOT-PDGQHHTCSA-N	478.433	5.961	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)SC2=S)cc1	409328723	AHQPUUXWJKJKFM-QQXSKIMKSA-N	484.646	6.803	10	40	JKCB	
CCOc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	2278663	PSHSNDUFULUXFC-UHFFFAOYSA-N	483.567	7.294	10	40	JKCB	
CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2361873	WBYHHIXWVPLYJG-MYVCOICNSA-N	479.605	6.596	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl	2844077	MEHNSKAEHCHQHE-PXNMLYILSA-N	474.818	6.065	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)SC2=S)c(C)c1	2997480	PLASDSQJWBHIEZ-NVNXTCNLSA-N	465.350	5.086	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1C1c2ccccc2Oc2ccccc21	4769086	ROELEGLHCFSHAN-NDENLUEZSA-N	470.402	7.090	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3)C2=O)cc1	8819850	UHZFARFUFNEVOO-ZHZULCJRSA-N	475.035	5.749	10	40	JKCB	
COc1ccc(Oc2ccc(/C=C3\SC(=S)N(CCCSC)C3=O)cc2[N+](=O)[O-])cc1	9634114	JNKLBKJNHLOZTH-UYRXBGFRSA-N	476.601	5.350	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	10232832	QPDSSHJJXVWYJS-FBKCMUNRSA-N	487.546	5.373	10	40	JKCB	
CCN(CC)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)cc1	12523984	VQOBRXYZXMTDSK-FMQUCBEESA-N	456.138	6.381	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	14010075	YJGXIWBUYHVOCU-IWIPYMOSSA-N	460.505	5.119	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1	16228082	YADXUNCPNMZVDH-DFIYOIEZSA-N	477.542	5.231	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1	19793089	RZHTXXXIHVYPGJ-OAHLLOKOSA-N	461.480	6.104	10	40	JKCB	
COc1ccc(C)cc1N1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S	20324960	UXTLKLDZYZVXLI-NDENLUEZSA-N	488.055	6.948	10	40	JKCB	
Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(Cc2ccco2)C1=O	27026071	XUIQQMOSQXOTPF-MYYYXRDXSA-N	499.661	6.966	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1ccc(F)cc1	33665364	WUIBEQLLOLDDOQ-STZFKDTASA-N	457.592	5.753	10	40	JKCB	
CN1/C(=C/C=C\c2c3[s+]c(-c4ccccc4)c(=O)n-3c3ccccc3n2C)C(C)(C)c2ccccc21	137519404	HFVIMRXQQCQFLN-ZXXBMUOKSA-N	490.652	7.101	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Cl	223460544	OVGJRGUBOMVMAH-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223975719	NRAQXEYLHZKBSN-RRPNLBNLSA-N	497.624	5.330	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1	408574222	LAXBNHLQPRJAGX-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1	408778240	RKTWZKRRMSWDBX-SFQUDFHCSA-N	470.381	5.232	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1	408779318	VBBNTDSLZXJPOT-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408865581	BIKJQBTXNBLYEU-LPYMAVHISA-N	474.944	5.223	10	40	JKCB	
Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc3c2CCCC3)cc1	409058211	JGDGVDJSQNTUFO-UHFFFAOYSA-N	485.587	5.205	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409061492	XZFOHIJZHBYWHW-BKUYFWCQSA-N	478.951	6.072	10	40	JKCB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1	409199946	FYAIPVUGXMCHCJ-IWIPYMOSSA-N	489.597	5.340	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC1=S	409202082	ZGZXCDKDWVTELQ-CJLVFECKSA-N	450.585	5.100	10	40	JKCB	
O=S(=O)(O)c1ccc(/N=N/c2c(/N=N/c3ccccc3)ccc3cc(S(=O)(=O)O)ccc23)cc1	4265587	KCSYMVCQIRLVQV-OGGGYYITSA-N	496.526	6.164	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(Cl)c1Cl	8765624	OFLHWBPCTYEHRC-GDNBJRDFSA-N	455.363	5.363	10	40	JKCB	
CCCCCOc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	8853633	VKLHJIKSEBFKGC-PLRJNAJWSA-N	455.514	5.998	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	9427703	HUUAASMPVVZRKT-VLRJIAOHSA-N	498.718	5.267	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	12445303	CCXGPTTUQOMAFG-HAHDFKILSA-N	474.532	5.115	10	40	JKCB	
Cc1cc(C)c2nc(S[C@@H](C)C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)cc(C)c2c1	12542205	CJBBVBICTSDZOD-SFHVURJKSA-N	480.589	6.055	10	40	JKCB	
Cc1cccc(COc2ccc(-n3c(C)cc(/C=C4/C(=O)NN(c5ccccc5)C4=O)c3C)cc2)c1	33430857	XXSQPXUDBCSGLB-VEILYXNESA-N	477.564	5.443	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1	58845867	ASTIQNXEUKQNLV-DFIYOIEZSA-N	461.543	5.531	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	58849978	GBZZOGSLDOZDDK-GLDPYIMESA-N	481.961	5.876	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C	208225853	DQEYEXWVWFEVKR-VYZAVGSRSA-N	463.603	5.392	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21	208475148	YORFSXOADUPGAR-GIJQJNRQSA-N	486.424	5.456	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222923887	WIVRWTMLCWSYMF-DHIUTWEWSA-N	473.473	6.424	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223099266	HRNKWIWUSHILRH-UIOOFZCWSA-N	460.647	5.803	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232294	ADJBYELZMOKFJC-LOSJGSFVSA-N	482.097	5.375	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc21	223494585	CYTZMRONXMICNW-OYKKKHCWSA-N	489.641	6.080	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223501255	BZUHIKZDZGUPEB-XNMGPUDCSA-N	467.642	5.674	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223541767	KCALLZAGNHDYRY-FTJBHMTQSA-N	488.060	6.019	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223856408	RFLAKRKMMRYPPI-SXOMAYOGSA-N	468.626	5.934	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224303449	GYWHTIIPJKPNJH-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC	408894419	QLFGJJCEPVLGPH-PDGQHHTCSA-N	476.754	5.378	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(N(C)C)cc1	408986769	DNJMCOKZVXKCQJ-NRFANRHFSA-N	478.445	5.830	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)NC1=S	409086675	AJOFYULOHBPWBZ-STZFKDTASA-N	481.415	5.649	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	409196695	YJHSNPLKYPZAKX-LFVJCYFKSA-N	470.573	6.264	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1Cl	409199899	FLJMWEHAHHABSN-WCSRMQSCSA-N	475.762	5.969	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O	409231181	IODUDHWORCEUQF-GHRIWEEISA-N	498.366	5.466	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1Br	409342219	ATJOVAGPTADSHW-PDGQHHTCSA-N	464.406	5.652	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc12	1913281	SFTCFNRPXSLFSB-UHFFFAOYSA-N	454.353	6.495	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc6ccccc6c5)c4C)C(=O)N=C3S2)c1	9282744	TUFBFYKWCKPVRZ-DOMYXOAPSA-N	489.604	6.223	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S	9763001	HZZAWNLDIDSZGA-ZDLGFXPLSA-N	458.948	5.254	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3cccc4ccccc34)C2=O)cc1Cl	13688546	XFGFRZCWEVXMNT-HMAPJEAMSA-N	485.927	5.018	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1Cc1ccco1	33352834	MGHXCUDKQXGFSY-JMIUGGIZSA-N	494.334	6.092	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1	33446800	KMHUERQCIOBDKI-PXLXIMEGSA-N	497.619	5.177	10	40	JKCB	
Cc1cc(/N=N\c2c(O)nc3ccccc3c2O)ccc1/N=N/c1ccc(C(=O)N(C)C)cc1	102491255	UUWOOGAKBOGZIN-SWGBCSPSSA-N	454.490	6.487	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2C(C)=CC1(C)C	208517646	BJQKBEMFPIBVPV-OEAKJJBVSA-N	473.642	5.465	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	223760078	UCXZMMOXDHYVNE-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224369423	FDWMJYBGZFHNCW-WDYNHAJCSA-N	496.680	6.798	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)c(OC)c1	408634171	RRJLQIZEMKMNHY-JAIQZWGSSA-N	489.981	5.471	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)OC)c3C)S2)cc1	408775958	KZPPQGNTMUZRIY-IBYCJETLSA-N	461.587	5.043	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408871579	ZBIQMXDCBGCWNE-PCLIKHOPSA-N	484.914	5.890	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408875441	FQYQNDXOKDFJFJ-HYARGMPZSA-N	488.971	5.531	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408877659	XIHLTAXMDFKBMO-PKAZHMFMSA-N	468.597	6.287	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	408984449	RFDYEZIVTVBPTE-HMAPJEAMSA-N	490.943	5.156	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409001316	PBFKDTHSTHXXAJ-DIBXZPPDSA-N	483.564	5.190	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])SC1=S	409338794	BENRAWCIYBPZLX-YVLHZVERSA-N	468.478	6.017	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1	4149934	UFYLZPWFVCSJOQ-SGIRGMQISA-N	450.535	5.462	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCCOc2ccccc2Cl)cc1	8915975	GRGMQHINZUFGLA-HMMYKYKNSA-N	497.334	5.118	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4cn(Cc5ccccc5)c5ccccc45)C(=O)N=C3S2)cc1	9246675	AJGQNFCKSJTRCB-IAWHSNBSSA-N	475.577	5.665	10	40	JKCB	
CCCCN(CCCCS(=O)(=O)O)c1ccc(/N=N\c2cc(Cl)ccc2Cl)cc1	16980161	XEVGFGTUNZOIJT-VHXPQNKSSA-N	458.411	6.683	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208255374	ZCGAVROJRIDPSD-VBHHZLGVSA-N	498.048	6.045	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1	223857929	AZBOSAVYJFFCLQ-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C	224267852	JFJKIGSGSYQBMH-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C	224573829	IPERWRBNKMWRKK-RPBOFIJWSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)nc1	224610115	UVWOUAZIDPRTFL-DQEYMECFSA-N	455.587	5.075	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c(OC)c1	224812750	AVZVZNBWYDPLBE-IZZNHLLZSA-N	499.640	5.387	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2sc3ccccc3c2Cl)cc1	408992755	BNPGRPYBRHMJEV-XDHOZWIPSA-N	488.952	6.127	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2cccc(Br)c2)cc1	409002445	UTONZDPOCKPYOK-FYJGNVAPSA-N	461.315	5.290	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)NC1=S	409005464	DQMAAVCSNNSFCS-PXNMLYILSA-N	486.218	5.412	10	40	JKCB	
CC[C@H](C)Oc1c(/C=C2\C(=O)N(CC)C(=S)N(c3ccc(Cl)cc3)C2=O)cccc1OC	409021169	YOBUMJQDUOJMLS-FHHIAAGZSA-N	472.994	5.090	10	40	JKCB	
CC[C@H](C)Oc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409040206	HMKYRYLUHRNGHT-LMRAXHDRSA-N	458.814	6.019	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409060181	ZIPSRIPEILYDMA-QFEZKATASA-N	489.015	6.550	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409075231	XTBOSPUEIJFUFK-JWGURIENSA-N	459.929	5.796	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409217025	QWKFDCHZMJSSET-AWQFTUOYSA-N	477.800	7.295	10	40	JKCB	
COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCc1ccccc1Cl	2854823	BQVBAYXEDDAKQC-OVCLIPMQSA-N	470.797	5.179	10	40	JKCB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)cc1	8743146	QXNXVASCZMQPCM-HNTIPGDBSA-N	453.585	5.171	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccccc3OCCOc3cc(C)cc(CC)c3)C(=O)N=C2S1	9122122	DHHWVYCVEHGBOR-SUYASHRRSA-N	462.575	5.044	10	40	JKCB	
CC1=CN2C(=N)/C(=C\c3cn(CCCOc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	9293693	SWOPASDQZXLELM-MBVGAYPFSA-N	476.989	5.931	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9310451	JKRAPCHJKUBNKF-CIAFOILYSA-N	472.557	6.514	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1	9973240	BEDSMCFTZMEZGE-WQRHYEAKSA-N	477.991	5.237	10	40	JKCB	
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cc(C)n(-c3ccccc3)c1C)CCCC2	13141721	DHZQILWJRQKVJQ-UHFFFAOYSA-N	450.560	5.033	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1	13810280	OMEOTQUTLXWIIK-XMHGGMMESA-N	488.370	7.733	10	40	JKCB	
COc1ccc(OCc2ccccc2C)c(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1	13896099	QGGXDMGROKRZCS-MYYYXRDXSA-N	475.635	6.605	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)S1	13940978	KMKKTUSSKRMOLQ-RGVLZGJSSA-N	471.365	5.832	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	14009566	RYFWKFIHYVLNRA-QQXSKIMKSA-N	470.569	5.284	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)o1	16347957	DCBBGTHVCVEDFV-WQRHYEAKSA-N	485.374	5.210	10	40	JKCB	
C/C(Nc1ccccc1-c1ccccc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288297	WRFKYJBWOWQRKP-OOAXWGSJSA-N	486.600	7.100	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	34380432	GSCQKADTMXHBEK-ZNZIZOMTSA-N	497.541	6.013	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	34688312	QUVRNKYCHZLDKN-ZNZIZOMTSA-N	479.551	5.874	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1	35039213	CVGHRBXLULAZQQ-XQNSMLJCSA-N	474.607	5.049	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1C	41108445	CMRGVFJFUJIIKX-XYSYLGEOSA-N	494.045	5.979	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1	58822081	DAPBDVWUPQMCPV-RCCKNPSSSA-N	457.617	5.282	10	40	JKCB	
C/C(NCC[C@@H]1C=Nc2ccccc21)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100095505	CQVABOFURQNMHA-NFECSFHCSA-N	469.492	5.315	10	40	JKCB	
c1ccc(/N=N\c2ccc(/N=N\c3ccc(/N=N/c4ccc(/N=N\c5ccccc5)cc4)cc3)cc2)cc1	100368274	HXWHXECPBINUKM-CNZQZPIESA-N	494.562	11.348	10	40	JKCB	
C/C(Nc1ccc(Oc2ccccc2)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112298746	PWCYAJGEAYIRNK-OOAXWGSJSA-N	463.512	6.755	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc21	208460901	MUYHYRSSBMDZHC-QRVIBDJDSA-N	475.614	5.610	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223122210	XDKWMCKFIGGCHI-IZZNHLLZSA-N	488.657	5.581	10	40	JKCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223617135	UGHLAWMMCOCYEG-QRAWFLTRSA-N	466.025	6.242	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1	224253157	KSMITTLLSUFLJR-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224534230	GYVWDSZDJCGETD-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1	260910051	BUIRQDMIMYGZCK-ZSQFBXSQSA-N	460.647	5.203	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1OC	408601560	KMUBKOHRASLPMU-LGMDPLHJSA-N	498.894	5.203	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408764815	YIWHVDPKFDERNN-KGENOOAVSA-N	495.760	5.724	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1	408773686	ITEKBHIVNRAGAR-OVCLIPMQSA-N	486.267	5.136	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408785960	CQGCFWBVTBQPJX-MOSHPQCFSA-N	474.523	5.832	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408800480	MUTFAYXWOCQQMH-OEAKJJBVSA-N	484.552	5.174	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408805391	ASZUHMQNUMJKSY-XSFVSMFZSA-N	479.330	5.058	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1C	408810590	PMTZIEBWTUSWSM-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408884546	XMWNNMJHXDLCRO-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cc(C)cc(C)c1	408895537	NFPSCVKZTMSGEC-DEDYPNTBSA-N	490.943	5.211	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(Cc3ccccc3)C2=O)cc1Br	408987024	UROODRFXCALMLP-PXLXIMEGSA-N	460.371	6.315	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1	408989896	VMGTXDIYKUCMGB-PDGQHHTCSA-N	455.297	5.482	10	40	JKCB	
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1cccc2ccccc12	409130641	WZQHZOXGLVXEIF-ONUIUJJFSA-N	494.572	5.828	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C(=O)NC1=S	409392285	OUDYGTWFFCJVIE-DHRITJCHSA-N	487.669	5.209	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(C)cc3)c(O)c3ccccc23)cc1	944520	AYJXMDPHHHLWJD-UHFFFAOYSA-N	451.569	5.814	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)SC(=S)N1c1ccccc1	1816040	SOTYUSCZMRLLTC-WQRHYEAKSA-N	487.356	6.023	10	40	JKCB	
O=C(O)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)cc1	2990917	WXAAQMQCTYZKOD-UYRXBGFRSA-N	476.872	5.124	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	9293341	MBZBSKUCHKWDIW-BIRLBKGPSA-N	453.571	5.378	10	40	JKCB	
Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1ccc(Br)cc1	12565746	BMHQKBMVKVMFJP-UHFFFAOYSA-N	454.393	5.718	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1	13896279	KVJMINYGPJJDQW-LGAXMMIFSA-N	487.354	5.196	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	33584229	GTLKXKQLTYXIDC-FBHDLOMBSA-N	498.944	5.610	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)cc2OC)N3)c1	58848799	UOOALDVPQWSOFS-XXAUWVGASA-N	492.597	5.340	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C2=O)c1	208520396	NXHQVSXZJDFPAC-OEAKJJBVSA-N	473.573	5.082	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2C(C)=CC1(C)C	208533141	LWKSGKIVQZLBSX-QRVIBDJDSA-N	477.586	6.162	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864204	LNHFXBGPQOFSBS-FTJBHMTQSA-N	498.608	5.378	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224233668	HAAVSUIQSIDPHT-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	224464365	GABFJMGGOJEIDT-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224530614	MFTNPYXPFMIJAZ-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224535297	VJKPETXSXVLXMQ-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608627	JDBNNLKEQJNDPE-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=S)Nc1ccc(C)c(C)c1	408533714	OVZSNXCDHVFHJV-PKAZHMFMSA-N	498.696	6.364	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)c1	408775739	ULKNJCGLKVGIMH-WPWMEQJKSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)c(C)c1	408814283	OUGKJJUGZJDPON-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409012894	LLCBMXTXKBOGES-JLPGSUDCSA-N	489.015	6.748	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409058433	ONZVTULWODEPMS-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccc(F)cc3)c12	409127762	JSAXGDSKCFFQGU-DHJMFLCTSA-N	480.630	5.771	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)ccc1Cl	409215977	CQXHTPRDYYDJDS-DEDYPNTBSA-N	469.971	6.183	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)NC1=S	409250053	PKLNBNYTSMPDKZ-HYARGMPZSA-N	485.996	5.483	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c1	409332400	QLYSBSWCQDFWPR-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	409343454	GWOITUXSMRAPFD-WOJGMQOQSA-N	462.379	6.668	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S	409369175	GLJWFFYOOZYYPG-LZYBPNLTSA-N	492.365	5.038	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@H]3CCCN4CCCC[C@H]34)c(O)c(Cl)cc12	1565520125	NCNVYGWVKBBBHL-QFQXNSOFSA-N	495.063	5.748	10	40	JKCB	biogenic
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(OC)cc1)N1CCOCC1)c(O)c1ccccc12	1448585	SCFGEGUTUOYCPH-RUZDIDTESA-N	475.541	5.207	10	40	JKCB	
CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1714445	UBMDHWQGZWPJDD-YDWXAUTNSA-N	458.518	5.976	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S	2688236	QNSRKOIADHLQFE-JLPGSUDCSA-N	475.683	6.972	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	8454121	DBOJZKQDBJNHBA-BPYKYCOYSA-N	485.436	6.929	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	9188572	YFODTSYIAPTHSZ-BKUYFWCQSA-N	471.525	6.690	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9411687	UNVPFFJJSADURL-ZQFCNSAKSA-N	477.546	5.834	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1	13787426	ZKKBMCGXQQOQQG-WNGCWRAYSA-N	499.665	6.221	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58845734	CICKJCVNOWEUCR-ISCCLHIJSA-N	476.598	5.640	10	40	JKCB	
C/C(NCc1cccnc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	100585039	TVGLJYAATYTITH-MOHJPFBDSA-N	485.638	5.558	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C/Nc1cc(C)c(C)cc1Br	103646241	IEXGTDUXMYFASR-MHWRWJLKSA-N	477.200	5.855	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c(C)c1	208730213	TUKBSUDJUZHYKF-JAIQZWGSSA-N	460.407	7.276	10	40	JKCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222785799	KCBKNAYOLKNBSC-SFTDATJTSA-N	455.425	5.244	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)nc1	224021431	HNIPUEDXKPDPQT-FTJBHMTQSA-N	483.597	5.098	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224371318	WWCRIIJDHBESRP-DGPALRBDSA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1	224402028	APDWWOICPLDONV-RPBOFIJWSA-N	486.572	5.504	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc2ccccc12	224600459	QUWZBAQTIGKICF-VMPREFPWSA-N	490.632	6.525	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)nc1	224904938	JJTITGIADRNDQW-IZZNHLLZSA-N	471.605	5.817	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	408737118	KBRYPTKBCBILIP-ANVJXECLSA-N	456.586	6.898	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2cccc(C)c2)C1=O	408752082	BPUQGMZBVZEFJN-HMMYKYKNSA-N	458.970	6.706	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)cc2)c1	408754279	GCGCQQULXGQITQ-KGENOOAVSA-N	462.303	5.500	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408759635	IIHSCMHDHIVKNM-XSFVSMFZSA-N	462.933	6.537	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)c(C)c1	408865473	CQFMLPVYCIJQRP-RCCKNPSSSA-N	489.369	5.323	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408873222	OVNKTXVLPMCWLN-UQQQWYQISA-N	478.573	5.559	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	408902499	OPFJYSVAUUOESI-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)NC(=O)N(c4cccc(F)c4)C3=O)cc2Cl)cc1	408914817	ZCTWFVAAKBHJCL-DJKKODMXSA-N	499.325	5.686	10	40	JKCB	
CCN1C(=O)C(=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N(CC)C1=S	408944478	MPJBMNSHMPTTJG-UHFFFAOYSA-N	499.839	5.226	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409015503	ZXUBQGTWWZLREP-JCMHNJIXSA-N	494.513	6.299	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1	409205308	BGNNXQFWGAZUQP-HZHRSRAPSA-N	464.612	5.620	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S	409237014	UQCVPIPHBAFAMK-WJDWOHSUSA-N	457.338	5.393	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409241765	YLXBIFWCGRNFJT-KGENOOAVSA-N	478.017	5.702	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(C)=O	409328308	RUHVJINJHGVSGL-CAOOACKPSA-N	454.356	5.333	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409363896	VPYBVPPIMMFFBD-KEBDBYFISA-N	476.907	7.007	10	40	JKCB	
CC(=O)N1CCCCCCCN(CCCc2ccccc2)Cc2cc(N3CCOCC3)ccc21	643563034	FZOHGLWLILLFAY-UHFFFAOYSA-N	463.666	5.275	10	40	JKCB	
CN1Cc2cc3cc(c2O)C[N+](C)(C)Cc2c(Cl)c(c(Cl)c(c2Cl)C[N+](C)(C)C3)C1	1560263	UVCVKJTZVDKXPX-UHFFFAOYSA-O	470.872	5.164	10	40	JKCB	
CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	1802018	ODMAKYGGRUSZPS-KWZJRMENSA-N	466.378	5.164	10	40	JKCB	
Nc1ccc(Oc2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccccc3)cc2)cc1	2274586	BECZNOCTCOFEEP-UHFFFAOYSA-N	483.553	5.549	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1cccc(Br)c1	2756647	JVYJFTNHKJYPQS-OVCLIPMQSA-N	484.238	5.482	10	40	JKCB	
Cc1ccc(-c2csc(NC(=O)COC(=O)c3cc(C)n(-c4ccccc4)c3C)n2)cc1C	3337679	JJKVRGAVNPOEGN-UHFFFAOYSA-N	459.571	5.630	10	40	JKCB	
CCc1ccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)cc1	8744375	DVPMGHGYKRXBQD-KOEQRZSOSA-N	497.551	5.768	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCC(Cc2ccccc2)CC1	8820442	VFZWKDHXCQOPPS-GDWUIXTPSA-N	476.667	5.315	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	8821437	RFBMHQJGOZZHHK-RGVLZGJSSA-N	474.390	6.862	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S	9309386	YSMOPCJPWLLYGP-JWGRYVKWSA-N	465.578	5.078	10	40	JKCB	
CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1	9404379	NNWWEDMRGKSXOY-NTCAYCPXSA-N	481.068	5.154	10	40	JKCB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)S1	33599908	GFFIRQUPGUEYRM-BKUYFWCQSA-N	491.638	6.123	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1OC	58846243	ANSFVDZPDHCCNH-PFPZSTESSA-N	490.625	5.948	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1	58846850	CHVLFKWMBZEACP-CLCZQPDDSA-N	489.597	6.346	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58848185	URPSMCNTZXUYCZ-OUDXUNEISA-N	495.000	6.004	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c([N+](=O)[O-])c1	106119937	NXWGNTBUWKPBHC-UHFFFAOYSA-N	476.316	5.133	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3cccc(Cl)c3C)=NC1=O)[C@@H](C)CC(C)(C)N2C	208235693	HFOXAZIRQLIEOO-QZDMBBGESA-N	454.039	6.761	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2[C@@H](C)CC1(C)C	223540035	NGTKWRQQFSTVJZ-PVFDWLMNSA-N	477.630	5.782	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223799492	XQJSRKJXCSLWNL-NSOVKSMOSA-N	498.652	6.074	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224238856	PAZBGOMTTSRGLI-XTEPFMGCSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224305673	XQXRJYBNMVMWHD-URLMMPGGSA-N	480.681	6.900	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C	224565515	XKTNOOFGEULADD-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	224570526	MGXFPRUJRWOABR-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	260567397	LBTNAWHDQGHXSL-VLZFXTDASA-N	477.630	5.700	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408752767	GTOKJKARTWPBQJ-CPNJWEJPSA-N	494.359	6.951	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1cccc(Br)c1	408767609	YYCSRFVLZGAQOS-VXLYETTFSA-N	465.278	5.151	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	408776376	ZNUFUGMWOADRRM-XOASYVKCSA-N	468.597	6.145	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408804570	YKXNCJXNLQGNCK-CIAFOILYSA-N	467.308	5.239	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)cc1	408812058	LBRSCTSZXNDMLF-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc12	408866734	IGSWTFJSDWNGNM-LFVJCYFKSA-N	484.914	5.890	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1	408899974	QTWSYRWZAKIBBN-ONUIUJJFSA-N	484.552	5.338	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408996609	JEYKJWUVQZCURZ-ONUIUJJFSA-N	453.538	5.760	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1	409006710	KUYRTLJKZZUAPB-ITYLOYPMSA-N	452.579	6.526	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409056190	GPVVFYWUZDBBQY-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Cl	409073842	NSLGEBAVWJSTEI-GZTJUZNOSA-N	470.381	5.232	10	40	JKCB	
COc1ccc(CN2C(=O)[C@H](Cc3ccccc3OCc3cccc(F)c3)SC2=S)cc1	409139823	FJJFIQSGDKCRHU-QHCPKHFHSA-N	467.587	5.385	10	40	JKCB	
CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12	409180053	UZCYSHJBQHNYPE-ICFSCIDYSA-N	483.571	6.847	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O	409234220	JETGZEHWYCOHGI-WJDWOHSUSA-N	485.721	5.337	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)ccc1Cl	409341244	ANLWJCLTDURAPE-FYJGNVAPSA-N	499.013	5.858	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S)c1cccs1	409343402	GWYASRLFITYJLW-XDHOZWIPSA-N	487.027	5.527	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409380429	MVSLVDXRPUSJMA-XYGWBWBKSA-N	471.578	5.865	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(C)c(C)c5)c4C)C(=O)N=C3S2)c1	2426935	OUHMYTNBRRFEBH-LXROFQDBSA-N	467.598	5.687	10	40	JKCB	
Cc1cc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c(C)n1-c1ccccc1	3261337	PAJNJKNLIRTXMH-VWLOTQADSA-N	493.390	6.938	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc(I)c1OC(C)C	8496935	JSEJWFWBAOZTOP-RQZCQDPDSA-N	494.304	5.032	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl	8743593	NIAAKOGAXDWTPT-WJDWOHSUSA-N	467.821	5.024	10	40	JKCB	
Cc1cc(O)c(Sc2nc3ccccc3s2)cc1NS(=O)(=O)c1ccc(Cl)cc1	8870312	VQIBURJKSVKGJE-UHFFFAOYSA-N	463.005	5.916	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)o2)cc1	9057194	NUSVLIZKWBROPR-GNMKNICSSA-N	474.567	5.437	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9308388	BXBSTSZOBINBLD-DSITVLBTSA-N	471.915	5.502	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	9309613	AAHXGFMGSBEXDT-AEDFNUKKSA-N	461.497	5.040	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1	9309740	WBRPSFBFSJIBEV-OAXZUEFOSA-N	471.561	5.518	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)cc1	12274970	SAPKXUUFWSLMDZ-XDHOZWIPSA-N	460.407	7.222	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	14010574	BERIUEHOSDSMCL-WSEGQGCGSA-N	489.399	5.253	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc5ccccc45)ccc3o2)cc1	16678642	BUFARXSCSBESNW-UHFFFAOYSA-N	494.620	6.621	10	40	JKCB	
CCc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1	22854982	GCZQPUHYCXXNEL-DEOSSOPVSA-N	491.661	5.102	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)c1ccc(Cl)cc1	26965561	KTQDXVKKXVDUAE-JWGURIENSA-N	480.010	6.003	10	40	JKCB	
CCN(CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccncc1	31912024	UWHHGPUJFLEBJQ-DEOSSOPVSA-N	463.025	6.720	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	35074253	GKWYEHYDXZRWSF-NFLXFJMZSA-N	489.988	5.446	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S	40567417	LWLLIJOYYCEJIL-KWZJRMENSA-N	453.994	5.008	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c(C)c1	58846199	SLCNXRLUXIZCAI-JWZKTCGFSA-N	458.627	6.548	10	40	JKCB	
Cc1ccc(S(=O)(=O)C(/C=C\c2ccc(N(C)C)cc2)/C=C\c2ccc(N(C)C)cc2)cc1	199496571	BJRCVRAOOWXXBB-FDYZEBBJSA-N	460.643	5.696	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208459528	RSQOCTKPEJMOPZ-UUYOSTAYSA-N	453.007	6.517	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21	223488779	IGKJZTAUPZOMCJ-YBFXNURJSA-N	498.410	6.070	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224292890	JMUQRXDWHHRXMP-FTJBHMTQSA-N	453.615	5.678	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224366647	ZMVHWRIGRNHQSX-LOYHVIPDSA-N	494.708	7.352	10	40	JKCB	
CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21	225714431	AWWSAMCNXMMULT-UHFFFAOYSA-N	487.002	5.329	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c1	408529460	HVNTZJRUWQRRKF-MOSHPQCFSA-N	471.713	7.115	10	40	JKCB	
CCOC(=O)C1CCN(C(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1	408735980	ZDJVWXSNLDYIBU-UHFFFAOYSA-N	494.620	6.061	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1	408879194	BZOUNVSJRSKKKK-BUVRLJJBSA-N	474.944	5.223	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	409033330	LMAOUHITFSKQCN-WOJGMQOQSA-N	488.460	5.662	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)o2)ccc1Br	409140254	QLMYOLDDUCZMJO-GRSHGNNSSA-N	471.401	5.814	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1cccnc1	409150064	ZKTDJBJUCGKBKH-NRFANRHFSA-N	489.449	5.939	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2ccccc2N1c1ccccc1	409197948	SLLQNIPUEYESGO-OVVQPSECSA-N	460.964	7.562	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C(=O)NC2=S)cc1	409221403	PVQWLPQLHCZYRS-XDHOZWIPSA-N	494.956	5.253	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409338680	OGHMFESSLJUAJA-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409342959	DAXQUHOYYNDIRA-NNLQFVHNSA-N	482.852	6.686	10	40	JKCB	
Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccc(F)cc4)SC3=S)s2)cc1	969596	ZJMLOEUIGNEPGW-MOSHPQCFSA-N	497.642	5.411	10	40	JKCB	
CCOc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1	2512765	GANHNGTUQSAUAP-OAQYLSRUSA-N	486.409	7.218	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1	2850133	KUXMVSLHZKDHHK-HMAPJEAMSA-N	451.544	5.819	10	40	JKCB	
Cc1cc(C(=O)COc2ncnc3sc4c(c23)CCC4)c(C)n1-c1ccc(OC(F)(F)F)cc1	3408540	XZPHURKZAKNZDC-UHFFFAOYSA-N	487.503	5.748	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc([C@@H](C)Oc3ccc(Cl)cc3Cl)n2n1	8762460	UOGRWJBQRDTLJI-MRXNPFEDSA-N	483.424	7.312	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	8783184	JVVADJZDSMGGOB-WMMMCAMOSA-N	476.617	5.170	10	40	JKCB	biogenic,in-vitro
Cc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	9233091	HSDCFMMDPGWILA-HYARGMPZSA-N	468.047	6.219	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4c(C)cccc4C)c4ccccc34)C(=O)N=C2S1	9553598	AELGPHOAWQJXAI-BSMJIXEWSA-N	485.613	5.756	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	10113173	VYEYTWVCWQWCMF-SSEXGKCCSA-N	499.680	5.424	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)SC2=S)cc1	12274916	VETJQRDAFOMDRC-UQQQWYQISA-N	497.645	6.516	10	40	JKCB	
CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(Nc3ccccc3)c3ccccc23)cc1	31308564	WNDULEJVCPEASN-UHFFFAOYSA-N	487.647	7.000	10	40	JKCB	in-vitro
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C	33779227	RTUXHIRPIJSOOK-BTGMWCQSSA-N	474.977	5.118	10	40	JKCB	
Cc1c(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C	33906155	WTKHMZYUPYFGIL-HMMYKYKNSA-N	463.628	5.188	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2)cc1	41083645	SZILZNSIMXBJFU-ZQHGDXJLSA-N	461.587	5.825	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccccc1Cl	59135270	QNQDMHPBEZJRRJ-DEDYPNTBSA-N	494.906	5.964	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1cccc(F)c1	59135911	IFMWNVFTSSORPL-CPNJWEJPSA-N	494.519	5.614	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc2ccccc2c1	59135952	WYRKWJXPXUMWND-PXLXIMEGSA-N	469.541	6.058	10	40	JKCB	
CCOC(=O)c1c(-c2cccs2)csc1N/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C	100209372	RHXHYKYYMFFEBG-SFQUDFHCSA-N	451.573	5.680	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl	223100733	FEHQBVHDZUMQEG-RPBOFIJWSA-N	499.511	7.101	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1	408754679	LDNQRSGIQCOYRA-UDWIEESQSA-N	472.169	6.590	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1	408782475	HHPOQWFVTDVXGE-PCLIKHOPSA-N	485.584	5.457	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cc(C)cc(C)c3)C2=O)cc1	408881544	LRMPKSRBZGUHHD-MFKUBSTISA-N	484.552	5.120	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1	408892987	DODFASDSECJKHZ-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408934902	BQIYJRZKONEHJG-RGVLZGJSSA-N	499.781	6.668	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc(Cl)c1	408956486	XKRZENHBQWLDDY-FSJBWODESA-N	460.961	5.474	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409009993	IZINVNIEGGXQJS-ONUIUJJFSA-N	484.596	5.987	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409059303	WEOBVMSYQZZWQP-ULJHMMPZSA-N	470.569	5.678	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)o2)cc1	409097449	NFWYOZFDEUICSU-SFQUDFHCSA-N	468.987	5.532	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1	409124996	ILWKVGXYXYKALA-UCQKPKSFSA-N	466.628	5.586	10	40	JKCB	
O=C1[C@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccco1	409140578	JMPZYFYRWAHPEP-IBGZPJMESA-N	496.412	6.276	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1	409346835	OHHVXBANGDIUEO-YZSQISJMSA-N	483.614	6.833	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC(=S)N1Cc1ccccc1	3066831	WXFUIYQMUQFSDH-ODLFYWEKSA-N	479.932	7.020	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N=C2S1	8767017	BWXFVXVFHNETEE-VUYJYGDXSA-N	461.374	6.309	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1	9188742	ZKKHBJXNOQPPFG-JCMHNJIXSA-N	460.580	5.120	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1	9292423	WIUWTWLWAAPOHS-MBTIHVDPSA-N	469.570	5.101	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl	9310293	QOEMECAKVABIQL-LZYBPNLTSA-N	454.356	5.052	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C(=O)N=C2SC=CN12	12631166	GHPAYTJQRQSFTE-MRDWGVERSA-N	474.767	5.458	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2)N2CCc3ccccc3C2)cc1	16914467	DRFWFKURKCYSFS-VWLOTQADSA-N	478.434	5.045	10	40	JKCB	
CC1CCN(Cc2c(O)c(CN3CCC(C)CC3)c3oc(-c4ccccc4)cc(=O)c3c2O)CC1	20113105	MTUADUGMKAWCMU-UHFFFAOYSA-N	476.617	5.335	10	40	JKCB	biogenic
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3ccc(OC)cc3)c(OC)c2)SC1=S	33430105	BCNRTKFDSVNYRL-ZHZULCJRSA-N	494.034	5.426	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1C	33906648	DJKPGBVZUWGGDZ-AEVKUXSFSA-N	487.673	6.691	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1	35212358	QUZBCJNIAJSKAH-ZKNSXIRRSA-N	453.571	5.264	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	41076332	YAVOVQJCUJAUFU-OQZKWKKUSA-N	461.591	5.302	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12	112297468	KUVSCWDUQQJABY-JLPGSUDCSA-N	473.602	5.395	10	40	JKCB	
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	209377171	XCCHXDATBXQHGH-UKWGHVSLSA-N	487.308	7.508	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104016	CMVUASYHLKGOOY-CLJLJLNGSA-N	495.092	6.456	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(Cl)c1	223536230	CIZHXZCLQMYWFV-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	223796215	OKMONYKDGJWUMV-WDYNHAJCSA-N	496.680	6.627	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224203240	LKYFSMFTECCACR-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224206563	GDJXNDCSNCPTCB-IXCJQBJRSA-N	466.654	6.592	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	260919568	MHALUGKMDXESJC-DQEYMECFSA-N	490.076	5.934	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(Br)cc1Cl	408533189	OFHAJIPLXPEZBL-ZROIWOOFSA-N	497.618	6.200	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	408600579	DRLZRRRWUFQLGP-ZDLGFXPLSA-N	467.440	6.649	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C2=O)c1	408743242	ZRGKLYCSMSUCMC-HYARGMPZSA-N	491.341	5.003	10	40	JKCB	
CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br	408743826	VOALXFJRBRDLBG-RIYZIHGNSA-N	464.109	5.118	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1	408787382	ZECYYGZGDVRCNF-YZSQISJMSA-N	469.585	5.720	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1Cl	408805956	CYSZRJLSTBLWJD-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1cc(C)cc(C)c1	408868856	NTOAAFPSZPSRQM-WGOQTCKBSA-N	482.580	5.576	10	40	JKCB	
COc1ccc2ccc(OC)c(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2c1	409006685	KCOIKUXZAPGBMF-UHFFFAOYSA-N	478.504	5.440	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1	409090213	LERBUSFXXIBZQB-MAGMUUGSSA-N	455.601	5.045	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1	409236084	QTTASVNBVQBUFZ-YZSQISJMSA-N	456.590	5.342	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O	409343580	HUTKSDZOAWWPPR-KQWNVCNZSA-N	492.622	5.574	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1Br	409345330	LMSUUGACPDPSMZ-YVLHZVERSA-N	466.447	5.976	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O	409352020	VOJRZHYREXAEJW-AFUMVMLFSA-N	475.679	6.959	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c(C)n1-c1ccc(Cl)cc1	409356627	GRKSMOWMRCSAMS-FYJGNVAPSA-N	472.010	5.042	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	8714013	ROEMSDAMWGBJMP-PGMHBOJBSA-N	482.627	5.182	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	9188499	KJYOMILUNHIQAJ-JLPGSUDCSA-N	461.608	6.379	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1	9425603	AQLVQEUJKLLTBV-PTLCIYQVSA-N	476.602	5.471	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1C	13786199	VAEDYTPQBXYQOS-WPRPLIHDSA-N	495.604	6.066	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc12	19793063	HSXJHKWCQVEPAV-UHFFFAOYSA-N	491.550	7.229	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	33666208	NGPJCYFUTKRQCP-PDGQHHTCSA-N	473.743	5.687	10	40	JKCB	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OCC)cc3)N=C2C(F)(F)F)cc1OC	33767590	ODSUNCTXGIOELK-RGEXLXHISA-N	490.478	5.399	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	35843318	CHLPFJRWDPCCPG-PFBJBMPXSA-N	497.978	5.761	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2	58846080	ONLIGUCVTVDAEY-OUDXUNEISA-N	499.463	7.183	10	40	JKCB	
Cc1ccc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)cc1	59137803	OLJIIRGFUWJATE-UHFFFAOYSA-N	480.545	6.323	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1	113838044	OVBOAURRPIHTKT-SRZZPIQSSA-N	473.450	7.115	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223366985	SMGRRFXOOZGQDR-RPBOFIJWSA-N	486.597	5.041	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171251	NGJGQNBYZQDICI-CLJLJLNGSA-N	499.596	5.583	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224206642	GDJXNDCSNCPTCB-XTEPFMGCSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(F)c1	224367212	HNIFWIICKOXMNA-VSGBNLITSA-N	484.644	6.929	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224898217	PROQEQMEZWDQKK-VSGBNLITSA-N	484.644	6.676	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(Br)cc2)cc1	408752951	DNWMGIJCILEIHY-UDWIEESQSA-N	461.315	5.321	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408865648	DHBOCFPVCPTTGV-KQWNVCNZSA-N	480.495	5.533	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1	408879659	CGYVAQZLSILKEQ-MTDXEUNCSA-N	488.587	6.331	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C	408901899	IPVSIDMVNGOIIX-LDADJPATSA-N	478.433	6.041	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1	408928509	APYRQXOKJCVLIC-OEAKJJBVSA-N	494.389	5.348	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	408945420	WLFRWQUCPQBRFF-KOEQRZSOSA-N	464.496	6.000	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12	409024460	SWDXXDLUBWNURZ-NDENLUEZSA-N	454.309	5.729	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccccc1Cl	409239442	NIYHMVWXVISYOI-SRZZPIQSSA-N	483.952	5.562	10	40	JKCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1C(C)C	409246609	JMRIHXMYQXLYDC-YBFXNURJSA-N	456.995	5.310	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Br)c(Cl)c1	409329351	DXYSHVRROVXXGP-GIDUJCDVSA-N	454.754	5.237	10	40	JKCB	
CCOC(=O)c1cc(C)n(-c2ccc(Cl)cc2C(=O)c2cc(OC)c(OC)c(OC)c2)c1C	2274825	CPBPMSMFJNZKQM-UHFFFAOYSA-N	471.937	5.181	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1	2320646	RDIZPAXWPVSFRA-XQNSMLJCSA-N	469.054	5.287	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	3292073	ZXAQNJRVZNAMDL-LFYBBSHMSA-N	483.318	5.204	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1Cl	8935007	DXLOWOPSYBLWKZ-XSFVSMFZSA-N	451.956	5.965	10	40	JKCB	
Cc1ccc2c(c1)C=C[C@H]1N2[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C12C(=O)c1ccccc1C2=O	9192330	CZDQIZDNFVQHLX-DYIKCSJPSA-N	495.578	6.311	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	9293594	YWKDMFSYNSWMQH-OEEDQDNFSA-N	484.025	5.956	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)c1	9305611	XWEUGMTULYFGHT-PCLIKHOPSA-N	497.597	6.523	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1	9444795	PPLNLRHGXNEEAS-OQKWZONESA-N	496.654	5.572	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3Cl)C2=O)cc1Br	9933833	HAYKVZOSIOBHRO-AQTBWJFISA-N	466.762	6.582	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OC(=O)c1ccccc1Cl	13041954	BYHRZVXGWGMSTI-HMAPJEAMSA-N	478.957	5.959	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	13635257	BUDOMHCPDYLHMO-OBTVHEKISA-N	460.599	5.939	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	59569650	DCXHUDGOYLHMAO-XDIPAPSNSA-N	466.622	5.059	10	40	JKCB	biogenic
O=C1/C(=C\NCc2cccnc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	95483287	ARSUICUCZVNAFE-RGEXLXHISA-N	492.029	5.513	10	40	JKCB	
O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N\c3cccc4ccccc34)c(S(=O)(=O)O)c2)cc1	104174608	PAILURZOPJKWEW-RIIXPHEHSA-N	496.526	6.164	10	40	JKCB	
Cc1cc(/N=N\c2ccc(-c3ccc(/N=N\c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)cc1N	104367159	GEDXLLFPTRUMEY-SZDCHMHBSA-N	466.501	7.061	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	106685910	PQFINLWJLSGFOI-MTJSOVHGSA-N	457.382	6.637	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)N21	222672951	DJGKBUKACJTHEK-UZFJHSOTSA-N	453.055	6.346	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223795264	AKLUWWKWAMJKCU-NSOVKSMOSA-N	482.653	6.373	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)cc1	223916758	NRVYYNMRRVYAMP-SVBPBHIXSA-N	483.641	5.432	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271731	DESHPYIOHNJMJZ-FQLXRVMXSA-N	480.681	6.900	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)cc1	408758780	RBMQCHQVCIQMBG-HYARGMPZSA-N	475.342	5.379	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408764438	WUAVXLCEJRDHFU-UDWIEESQSA-N	482.721	5.845	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)c(C)c1	408796042	CUEOYPDMPACZML-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)cc1C	408808956	GWHBEMYVYOJOJV-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(Cl)c2)C1=O	408809996	ORUHZHCKFKONDF-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2ccc(Br)cc2)cc1	408846868	ZJIRMNSTCOEEEW-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1ccccc1Cl	408864877	AVBBBNFPYZGPII-RGVLZGJSSA-N	495.362	5.568	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccccc2Cl)c1	408882427	PBIIQOWIMRWCOK-LDADJPATSA-N	497.334	5.247	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O	408889005	AOPYMOGZIBYIFU-LDADJPATSA-N	464.880	5.033	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1	408901565	GKWFMEHKAIVRHK-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O	409021072	XNHZNGYFWVJONA-RFQDJMDTSA-N	488.697	7.397	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2Cl)cc1	409047740	MXSITDNAYHDQFH-GRSHGNNSSA-N	466.455	6.738	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1C[C@H]1CCCO1	409079698	LAQDDEKQCWFJNH-HRXKUDGMSA-N	461.608	5.799	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)cc1	409140949	FVMOSJQSVUKWTR-BUVRLJJBSA-N	479.605	5.446	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409216510	IRYRLGCYQZBULL-UFFVCSGVSA-N	473.381	6.650	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409230140	BWDNLLMWZXSVPS-GXDHUFHOSA-N	477.756	5.738	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1	409327055	HEMRHUJTXMGQRE-HZHRSRAPSA-N	491.594	5.646	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	2364621	CKJCMQBUBFPCMK-CTFRJJSNSA-N	464.572	5.447	10	40	JKCB	
Cc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1	9243010	HCXOCEYHWXHCAH-HZFUHODCSA-N	489.615	6.352	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1Br	9262121	GDGPJMGXFHLVEX-PGMHBOJBSA-N	488.425	7.227	10	40	JKCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)c2)c(C)c1	9849555	FJNXZTYBMSDBJP-XYGWBWBKSA-N	493.625	6.696	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1	13619156	BMFRCDFCSZIKSF-JCMHNJIXSA-N	463.628	5.858	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1	13802180	KLUJNCBIGIIBNT-QJOMJCCJSA-N	458.608	5.892	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1	27527776	ZAVZCRDNTLPRMM-JAIQZWGSSA-N	452.388	5.442	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1OCc1ccccc1F	33423824	DCTIJHJFIGBAQT-MOSHPQCFSA-N	476.460	5.016	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c(C)c1	33906804	KSBBBLGIRUJALD-DDSBZIKFSA-N	488.016	6.032	10	40	JKCB	
COc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(C)cc1/N=N/c1ccc(N(CCO)CCO)cc1	38455437	HIASSCPHCQBUHH-KPXCSAHWSA-N	492.536	5.842	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58845693	XVBNLXUWDXMART-BPYKYCOYSA-N	450.991	6.276	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2)N3)cc1	58848482	BREDKXXWWJILIX-PPJWLVRDSA-N	462.571	5.331	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(C(=O)c5ccccc5)cc4)C3=O)n2)cc1	100525030	JSAWHRSWTGSIIM-LYEHBBOLSA-N	495.564	5.925	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222875317	POFWFXZLINXPEM-FGZHOGPDSA-N	469.452	5.634	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223797175	WWGLUMXALYPNDM-RRPNLBNLSA-N	486.616	6.204	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	224571356	WZCSIWMMHIEIME-SVBPBHIXSA-N	498.608	5.404	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	225748318	ZQEXFWGGECWIDK-VBFRANPASA-N	487.662	5.708	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408891869	DKNIAEDUEIRTNN-ULJHMMPZSA-N	473.956	6.186	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Br)cc1	408895845	WANSOXAXJSNPNG-BOPFTXTBSA-N	477.152	5.089	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409203094	WCHNCTQNGCUNEJ-AWQFTUOYSA-N	477.800	7.295	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O	409206941	NNSACBAMUTXHNN-DEDYPNTBSA-N	470.413	6.407	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OC	409339192	FMSHRZWOYIIERA-GZTJUZNOSA-N	464.406	5.571	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409369007	WXSQWSFDFHPRFU-WQRHYEAKSA-N	496.441	6.110	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	3769268	FWRHOKFRAOJNGP-HMAPJEAMSA-N	452.000	6.633	10	40	JKCB	
Cc1cccc(OCCn2c(C)c(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	8407898	ULLZQPBCAFXYPX-FJVWWGQZSA-N	485.613	5.612	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(Cl)c2)C1=O)=C\c1ccccc1	8833882	OEINZTKPNRENDD-SDEVTQOVSA-N	457.020	5.906	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1	9057232	FTOCQRMUNLIJTF-UYRXBGFRSA-N	478.888	5.281	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1	9293520	DBBGVWDSRPFEBX-QKRKUQNHSA-N	471.561	5.463	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	9293669	UPOKEZQNSICHCV-NWECJKKASA-N	458.012	5.386	10	40	JKCB	
C[C@@H]1C[C@@H](C)CN(c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)[nH]2)C(=O)c2ccccc2-4)C1	10339140	KWPWXZDNYIWMIG-HUUCEWRRSA-N	470.960	5.332	10	40	JKCB	
CC(=O)c1ccc(N(C(=O)c2ccc(-n3c(C)ccc3C)cc2)c2nc3ccccc3s2)cc1	12549113	FRFZCVSZGDFUIJ-UHFFFAOYSA-N	465.578	6.885	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@H]32)cc1	13635254	BUDOMHCPDYLHMO-NOTUOJBMSA-N	460.599	5.939	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(C(C)(C)C)c1O	15945128	LAHLLDPIKQIOQV-CXUHLZMHSA-N	464.518	5.223	10	40	JKCB	
Oc1c(Cl)cc(Cl)cc1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1	19320269	NNGJTYPDAQYGOX-UHFFFAOYSA-N	482.238	7.022	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	32701757	RCSONBWWUVJKOK-HMMYKYKNSA-N	481.668	6.005	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	41076336	JSHZFCJAFQXAAJ-XAUISYEUSA-N	481.625	6.447	10	40	JKCB	
CC[C@H](C)c1ccc(OCCn2cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c3ccccc32)cc1	41076650	XPPLGOUJOMNAKO-ASFCELKLSA-N	471.586	5.483	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(C)c1)N2	58849615	NQJONEBZQAFYBG-LZCXECNNSA-N	481.017	6.284	10	40	JKCB	
COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Br)c(C)c2)C(=O)N=C1O	59860606	PCTLJGXRYPNLLU-NTEUORMPSA-N	494.139	5.035	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1F	83293633	UBXFTIUSGSZHDV-WQRHYEAKSA-N	496.423	5.787	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1	112293854	YQUZSYPIVUSZTN-UQQQWYQISA-N	459.477	5.270	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222882021	HWUFJDZXAPQRHP-PKTZIBPZSA-N	455.027	5.534	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	223726860	REJSIYGDTFBUHE-IZZNHLLZSA-N	476.646	5.032	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223972489	ZQGBIANEVRXOJC-VSGBNLITSA-N	495.652	5.933	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224240815	XOVOQXZHUOWILE-XRKRLSELSA-N	480.681	6.845	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224432127	FTLFLMTZOZWGIF-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224438789	ZRNGPBLKFFNCOU-DQEYMECFSA-N	457.578	5.509	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1C	224606764	KGQZORNFYOWPQX-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)ccc1F	224900461	VXKXDPGXCTZUEY-UIOOFZCWSA-N	472.589	5.819	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)cc2)cc1	408571915	DGZDZFVYXNDYJP-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Cl)c2Cl)cc1	408770945	CPSHMGFUHLCNNI-QGOAFFKASA-N	451.309	6.681	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1	408800271	LIQFYPBPDZWAJQ-UDWIEESQSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)cc3)C(=O)N(c3ccccc3)C2=S)cc1C	408858076	JDQOYPKRXRVJSN-NHFJDJAPSA-N	495.648	6.042	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1C	408960406	LLNQQCORMMTILQ-QRVIBDJDSA-N	482.411	6.365	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1	408983864	NUKRDUPIRGPRQZ-NDENLUEZSA-N	482.367	5.630	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	408984537	IDJOZDODFFEFFA-QGOAFFKASA-N	470.783	7.517	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(OC)c4)C3=O)o2)cc1	408987280	VVORMZUSWACILR-HAVVHWLPSA-N	477.516	6.213	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1	409132565	KRCSKSLTSUEVMF-XIEYBQDHSA-N	488.609	5.940	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)N1CCCCCC1	409133726	RBAGWPRWKRIPBS-ULJHMMPZSA-N	495.714	5.825	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409196739	WXDPFNWIOSIBFZ-UNOMPAQXSA-N	482.367	5.401	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)SC2=S)c1	409329091	CNFKTUKXKMOPIL-QFEZKATASA-N	486.687	7.126	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)c(C)c1	409345227	KRBPMGBXNIGZRJ-CVKSISIWSA-N	486.637	7.160	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409350407	YCDJISZSVDOIOS-MTJSOVHGSA-N	450.541	6.186	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1c1ccccc1F	2377741	POJMBMGRLMTBDI-XMHGGMMESA-N	491.975	5.713	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)n(-c4cccc(C)c4)c3C)cc2)cc1	3428804	UUMVOAOZIQYVLY-UHFFFAOYSA-N	489.597	5.464	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	8916105	QRTXLJLGCDLIJG-KQWNVCNZSA-N	490.943	5.081	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9309758	ZXMNYQQBAXZMIC-QKRKUQNHSA-N	471.561	5.463	10	40	JKCB	
O=C1/C(=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)SC(=S)N1C1CCCCC1	9310524	XBPRLLORLAYYPX-FSJBWODESA-N	453.673	6.394	10	40	JKCB	
CC(=O)c1cc(-c2ccccc2)n(-c2ccc(C(=O)OCC(=O)c3ccc(C)c(C)c3)cc2)c1C	9526120	ARVFKXHGJUOQRD-UHFFFAOYSA-N	465.549	6.312	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)cc1	9660247	AXAGZACLPYIQKR-UREHTDJCSA-N	496.592	5.429	10	40	JKCB	
CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)sc(C)c1C	10232866	CQZUYJWBSBWWNV-DHDCSXOGSA-N	495.047	5.035	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(c2ccccc2)=NN1c1ccccc1	26842188	DKEBTPSPIKUMCX-QJOMJCCJSA-N	458.439	6.800	10	40	JKCB	
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H]1Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3O[C@H]1N2	32936462	JTWRZYPDIVHLQP-CLJLJLNGSA-N	464.694	7.838	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	33934002	FMXGHXFEAVAFJS-FSWFDUBRSA-N	467.598	5.632	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	34808295	CSSUXZDWVVNKGT-WQRHYEAKSA-N	453.457	5.169	10	40	JKCB	
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2Cl)c1O	38810660	NAEXAHVLTQKKCY-NVQSTNCTSA-N	492.322	6.690	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1	59135630	PPJXUJLDVCYSSN-DEDYPNTBSA-N	450.853	5.565	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(O)=NC(=S)N1c1ccccc1F	59135913	AXBXGYWTIKLEPY-QGOAFFKASA-N	450.466	5.215	10	40	JKCB	
COc1ccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)cc1[N+](=O)[O-]	59475023	LNYLCFCQXWXCGK-QCWLDUFUSA-N	498.459	5.409	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(N(CC)CC)cc1	102788957	HOONQNIPBWDNBM-DFXYEROKSA-N	483.612	7.086	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC	113837655	WXYJCWHZIACMGC-XDHOZWIPSA-N	477.991	5.086	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223498546	WZVDCUFKBRMNKA-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224338911	GLYIKJBDGFJQTI-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224530015	YUAQOWDMXQXJSL-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](CC)C2	225633020	VAVYKRZJAZHPON-YIVKGZRPSA-N	459.608	5.071	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	231184421	BCYVNHQZKMGEBR-MHWRWJLKSA-N	477.756	5.738	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2sc3ccccc3c2Cl)c1	408758565	MTYRDWPCSCNJHP-XDHOZWIPSA-N	472.953	6.426	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)cc1Cl	408871603	HORSMBZQRCRTOO-UNOMPAQXSA-N	483.376	5.404	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1Cl	408889545	DZPVXXHWXBGZGS-VCHYOVAHSA-N	499.325	5.686	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)c(Cl)c1	409149557	JSFFMLIVVOUNQQ-RIYZIHGNSA-N	457.791	5.501	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409156713	UGPOVZVBUOVMKK-LXIYXOSZSA-N	465.731	5.854	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(I)c2)SC1=S	409376466	AZBRBKPTZJYYRG-YVLHZVERSA-N	499.370	5.230	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	2450559	ZYIITSFJYWTWLV-ZONZVBGPSA-N	481.523	5.247	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	6144593	LQJTURQEFGILOO-DFIYOIEZSA-N	459.929	6.172	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(C)=O)cc3)C2=O)cc1	8819862	SINDNLTXDDFGAN-JWGURIENSA-N	482.627	5.298	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820133	GOSZSAKFMAHDLE-PGMHBOJBSA-N	489.062	6.139	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)S1	8916019	FFMUQHZIGSCSLM-MTJSOVHGSA-N	481.371	5.288	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O	9232976	FKULEDPMNQQNBY-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(Cl)cc1	9434560	OYTXXAXZZDGHII-QNGOZBTKSA-N	478.035	5.808	10	40	JKCB	
Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(N3CCOCC3)cc2)N2CCCCC2)c1C	9480675	FAYASAQGIMBVTM-VWLOTQADSA-N	479.646	5.622	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1C	9805371	XNOBZWMDXVUVFX-HAHDFKILSA-N	481.595	5.456	10	40	JKCB	
C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1	12601433	STRMDHBIOZBHTM-BKWYIPCTSA-N	458.562	5.462	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	14166037	XGSIBPMQDCHRDU-KHVXQDHOSA-N	488.609	5.717	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(F)c2)cc1	20289084	CZNYGJHAICBDLC-HMAPJEAMSA-N	480.883	5.533	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1C	33860442	UQJDVUNWLNPBIJ-VKPUNFQASA-N	459.619	5.910	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	35041327	JMQDKVHTUCIING-RELWKKBWSA-N	455.645	6.637	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	35623377	JPEZMBXCQMMRCO-LGUFXXKBSA-N	469.610	5.367	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12	41083612	BIPJFNABFKSEBZ-BTGMWCQSSA-N	494.345	6.152	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F	58822107	PQKJFGMOHQSNFY-KGENOOAVSA-N	465.322	5.973	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(Br)c1OCC	59861516	SZKKMDXPTPZFNY-MHWRWJLKSA-N	487.350	5.370	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)o1	101031489	WVPHCSDYFGBOED-OQKWZONESA-N	456.502	5.651	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1C1CCCCC1	113833868	GGZFHKKJXHBNDO-KOEQRZSOSA-N	459.636	6.953	10	40	JKCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	222785589	NHDLHVQHWXANDP-RTWAWAEBSA-N	455.425	5.244	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223344170	KPMVSVBZXHTWTO-FTJBHMTQSA-N	456.615	5.817	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c(C)c1	223350974	SDTUTXNYHIJPSQ-BDYUSTAISA-N	470.642	6.180	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4)c3)SC2=S)cc1	408578199	WQWYEXCQRMWUBR-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1	408762987	CZPJBWAAAGPDIU-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	408893096	FHCQZFFWZHOUDY-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408994774	IZHKIYYUAFMCLJ-WOJGMQOQSA-N	493.371	6.771	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1	409033988	GRHPSGZBMMPOJF-ZSOIEALJSA-N	491.372	5.973	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	409074623	WBCYVSWOGVXXFJ-UCQKPKSFSA-N	480.486	5.990	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C(=O)NC1=S	409094351	DQIWINRHZJXISS-SFQUDFHCSA-N	484.408	5.541	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)cc1C	409339314	HEAMWRFZMCTYGB-HZHRSRAPSA-N	474.607	5.727	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1O	409349756	WEUUSHOYKPATOH-GIJQJNRQSA-N	464.406	5.576	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2ccc(Oc3ccc(Cl)cc3)cc2Cl)SC1=S	585152298	MLFVJCMZEKACLQ-CXUHLZMHSA-N	454.356	5.462	10	40	JKCB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N(c1ccccc1)c1ccccc1	929899	LVEUGNOIMFQZAX-VWLOTQADSA-N	469.610	6.186	10	40	JKCB	
O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1n1c(-c2ccccc2)nc2ccccc2c1=O	1635941	WQYGOSLBZQYJFR-QOMWVZHYSA-N	468.516	5.030	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1	2232111	XCUURFLWCVIYTD-VKLJRCAFSA-N	491.591	7.268	10	40	JKCB	
Cc1ccc2c(c1)C(=C1SN(C(=O)OC(C)C)N(C(=O)OC(C)C)S1)C(=S)C(C)(C)N2	2270293	HXOJQVVWZOLINY-UHFFFAOYSA-N	481.665	6.157	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O	9273302	FVBGCHIAIMPXDW-DEDYPNTBSA-N	457.393	5.594	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)c1	9296585	BEWAZKJPAXDZDV-WOJGMQOQSA-N	475.469	6.069	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCCOc4ccccc4)c4ccccc34)C2=O)cc1	9477476	ZYERTSFOSOXGJB-XHPQRKPJSA-N	493.563	5.339	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OC)c(OC(=O)c4ccc(OC)cc4)c3)S2)cc1	9956906	PZUUAKOPBGMHTG-HAHDFKILSA-N	490.537	5.014	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)cc1	18193748	NWBTXPGVGFJPNJ-NVNXTCNLSA-N	453.745	5.289	10	40	JKCB	
CCCCCCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)cc1O	18207076	PESWSWSCGFLZLY-WCWDXBQESA-N	460.581	5.893	10	40	JKCB	
C=CCOc1c(Br)cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OC	33636072	AOKWPFRRCNBAIJ-PDGQHHTCSA-N	459.365	5.413	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	33761509	BTZVVBNMUCBTMR-KLUMOMIWSA-N	459.619	5.856	10	40	JKCB	
O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3ccc(O)cc3)c12	85875095	LKZNCRNLAJNSKE-UHFFFAOYSA-N	459.502	5.693	10	40	JKCB	biogenic
CCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C	96193298	PJZXYFNJLXYXLC-YBEGLDIGSA-N	477.742	5.396	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223501416	BZUHIKZDZGUPEB-BDYUSTAISA-N	467.642	5.674	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223856765	LQJZNEXSKKYHEJ-SVBPBHIXSA-N	468.626	5.934	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	224399935	RONMSCUPNDVGAZ-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C)c3)SC2=S)cc1	408573742	KFSUCHKLLASEAL-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
Cc1c(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc(Br)c1Cl	408646518	PARJFOUPARPZLK-UHFFFAOYSA-N	475.770	5.614	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2sc3ccccc3c2Cl)cc1	408755500	VEKUSRHRDYNNHZ-JJIBRWJFSA-N	495.003	7.551	10	40	JKCB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C	408757353	MILLETQPIUYGPK-LPYMAVHISA-N	496.352	5.208	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1Cl	408872965	PYJGOHIJUQWQQU-UDWIEESQSA-N	495.362	5.649	10	40	JKCB	
O=C1/C(=C\c2cc(Br)c(N3CCCCC3)o2)C(C(F)(F)F)=NN1c1ccccc1	408970058	ZMBXADJXZWJBOB-PTNGSMBKSA-N	468.273	5.381	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(C(F)(F)F)=NN1c1ccccc1	408971907	LSXLWSBPTUJJGZ-UQQQWYQISA-N	472.466	6.767	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408975755	MTECLGNARKKGCL-YDZHTSKRSA-N	460.364	6.803	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)cc1	408989880	VLJUWAPUFUJYCV-UQQQWYQISA-N	463.537	5.227	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Cl)N1c1ccc(Cl)cc1	408999142	WREMRXIXRVPBCG-RGVLZGJSSA-N	462.163	7.135	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	409048279	SFEPPEBMERQDGW-NTUHNPAUSA-N	488.154	5.755	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)SC2=S)cc1C	409332938	SNKZZEMWCSDPDO-JJFYIABZSA-N	487.477	7.424	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S	409344007	FDBKPMAPHAPHSW-ODLFYWEKSA-N	471.943	5.713	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S	409346890	OXIFOGOJUZYZCK-UDWIEESQSA-N	452.513	5.578	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1cccc2nsnc12	843774	WBTCQOUTKUIRQW-UHFFFAOYSA-N	479.370	5.051	10	40	JKCB	
CCC(=O)Nc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1C	1355578	KLLOSLZJSAZTJZ-UHFFFAOYSA-N	492.576	5.718	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	2407960	NZYJLLKSQAGURW-BPOWYZMYSA-N	457.534	5.209	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	9031908	AXVSMYFESBCEPK-ITYLOYPMSA-N	453.538	5.841	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc(Cl)c(Cl)c1	9188539	RRZYBZHJHUTHOK-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	9845999	WPVOEHMUURAMTM-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1ccc2ccccc2c1	12032283	GFWMPRIVHSFRTG-DEDYPNTBSA-N	497.439	5.832	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	13286240	NNAXRRRDTHYLCE-HUEMJPGFSA-N	460.562	5.994	10	40	JKCB	
CC(C)(C)c1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1	13533162	SVOLLABOKAVYIM-QYQHSDTDSA-N	495.692	6.362	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	13799929	PQGMVMZMQKMCNL-WQRHYEAKSA-N	465.427	5.922	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)c1OC	58845989	TVWRYMWZGDFCHK-UZINWLIJSA-N	476.598	5.640	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3cc(Br)c(OC)c(Br)c3)C(=O)O2)cc1	83260561	JMWILJOFINNJGL-NTUHNPAUSA-N	466.125	5.210	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223973774	YNEBCAQVQHMGER-SVBPBHIXSA-N	499.615	5.764	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224269440	KKZINBHYAVWVDS-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437155	UWQCDYJMDDHOON-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(N2CCCCC2)cc1	225664741	YLNSBFUCRXUQRS-AWEZNQCLSA-N	452.849	6.140	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)SC2=S)cc1	408576094	RMNNPPBMMWEJEP-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1	408576761	QZYYZBBLSKWGNI-GRSHGNNSSA-N	461.008	5.276	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1C	408727728	RRDPMFLEIBWVFY-KPKWOQODSA-N	490.566	6.738	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1	408752609	ISRYDLYMXCROKF-BUVRLJJBSA-N	457.599	5.105	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2C)cc1	408754578	RHTQKEXLFHETGT-UDWIEESQSA-N	482.367	5.630	10	40	JKCB	
Cc1cccc(COc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1	408874627	CTZMGZGYSIMDKK-UHFFFAOYSA-N	488.543	6.157	10	40	JKCB	
COc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br	408902370	NGPKVSRLUTUNLP-RIYZIHGNSA-N	450.130	5.026	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)c(C)c1	408934139	CNUVNPCUPMYJRK-STZFKDTASA-N	460.917	5.202	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	409020998	WRECQRCZQUWNCA-BKUYFWCQSA-N	481.379	6.278	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3c(F)cccc3Cl)c12	409135202	XPBFQKPTJZVLTL-JJFYIABZSA-N	487.065	6.902	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1	409339593	WSTJLMMNYUHODP-BUVRLJJBSA-N	475.038	7.057	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)o2)ccc1Cl	409340515	YIYNYWFUYFFGSB-MTJSOVHGSA-N	483.998	6.409	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)SC1=S	2352498	JXLPYVMYXMWRQB-JLPGSUDCSA-N	491.682	6.636	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2cc(Sc3ccc(C)cc3)c(O)c3ccccc23)cc1	3368366	SSNAWMZSWKDYCA-UHFFFAOYSA-N	465.596	6.205	10	40	JKCB	
CCCN(Cc1ccccc1)C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	6481822	YCXHIEBJJNSNLC-UHFFFAOYSA-N	455.561	7.142	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	8821688	JPEZMBXCQMMRCO-XHPQRKPJSA-N	469.610	5.367	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3CC)=NC2=O)ccc1OCc1ccccc1Cl	8821793	SSKDKWOGQMEUKS-XYGWBWBKSA-N	493.028	6.963	10	40	JKCB	
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc(Br)c(Cl)c1	9234416	SPCPHLHPQBMPOU-TVPGTPATSA-N	499.751	5.145	10	40	JKCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9498017	HAHZRTXSZMVINZ-SRMUTFMASA-N	451.379	5.679	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)cc1	9531096	VQXCXURGCCYPQY-UHFFFAOYSA-N	496.014	6.076	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	9884847	PCALVVVKRNMPIG-SFQUDFHCSA-N	469.506	5.812	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Cl)c2)N3)c1	14166081	JARGZFMNINLYIN-SLSDLSHTSA-N	450.991	6.276	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1	16283251	VWNURFBNUYHNTD-ODLFYWEKSA-N	467.484	5.477	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1	18057292	CFXRKJQKMZYHQS-HAVVHWLPSA-N	482.565	5.610	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C(=O)OC)C1	20573135	PMEJTYIMDWFGBO-SZMVWBNQSA-N	461.624	5.462	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	33716951	MTCPUKZHZXWISE-NLFWRFBQSA-N	459.962	5.415	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	41108105	QCMXYJHYDWKLIL-KDWNYNHASA-N	469.570	5.079	10	40	JKCB	
Oc1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Br)cc2)N1	53363269	LNGMKWBKWIUQDO-AUSIDOKSSA-N	485.765	5.759	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)c1	58846892	DWJJHDIMNJRXKG-WTNLLYQRSA-N	492.644	7.289	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)c1	58849390	KRZHFCGHITZVGB-VKIDHGPPSA-N	492.597	5.340	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	59483092	NTYQWBYLPJGSAA-DIBXZPPDSA-N	475.504	6.008	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113831052	AWDUUHHBZJRDJG-CIAFOILYSA-N	466.515	5.719	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)cc21	223298277	GVAJPMFYOFXODU-PKKBDPGCSA-N	483.081	5.518	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223312842	MRNQGEBYJCQDGU-BYXVTNLJSA-N	460.647	5.257	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1C	223560703	VGOGKJDLEUVAJD-OVBDPADQSA-N	475.658	5.635	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223795019	PAGONXGLWAVWAZ-SVBPBHIXSA-N	468.626	6.065	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1F	223895151	ZZIKWCIGTRJSLY-KAYWLYCHSA-N	485.632	5.871	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)nc1	224241383	DKDFEYNXUDMLBN-CLJLJLNGSA-N	453.615	5.678	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398335	MMEWNGVJQLJBRG-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224463609	ODCKYLCWONNEGU-RRPNLBNLSA-N	487.072	6.882	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)CC2)cc1	224927681	KLTKGTZXUYHUEM-UHFFFAOYSA-N	457.505	5.119	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccc(F)cc1	408634993	WFMVBLBOWSJFOT-NDENLUEZSA-N	468.941	5.890	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1	408804610	YWQQSQXIKQJIBI-OEAKJJBVSA-N	490.943	5.211	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(Cl)cc1	408819880	YRGHAKWXFQQXIH-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1Cc1cccc(F)c1	408872237	BQXGAWYFKWEMRC-KQWNVCNZSA-N	472.516	5.044	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)c(C)c1	408879540	FCOBOALMKZGAJH-XDHOZWIPSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O	408933938	CGJBKNXDRYAYOE-MTJSOVHGSA-N	481.335	5.547	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C	408965039	FQAONPGMDZVUPZ-IWIPYMOSSA-N	473.598	5.640	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C2=O)cc1Cl	408982019	FFLRYIGOVWOYFT-BOPFTXTBSA-N	485.721	5.337	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	409053652	NWGKMYGHNFYTHJ-STZFKDTASA-N	453.673	6.697	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)o2)c([N+](=O)[O-])cc1C	1411621	JHDGRCZFXRECRV-JAIQZWGSSA-N	453.545	5.427	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12	2282078	NZNGOCCODWWFRG-XKZIYDEJSA-N	471.969	5.174	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(C(=O)OC)=C2C)cc1	3652133	AHUNFLVUKGZVGW-ONUIUJJFSA-N	498.579	5.456	10	40	JKCB	
COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)sc2c1CCCC2	8438401	HGFJUOLYUULMML-PXLXIMEGSA-N	473.598	5.627	10	40	JKCB	
COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820130	YKEWICQLJJLTRG-HKWRFOASSA-N	475.035	5.749	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9308184	UXZYMZPDBYGUHR-WLFURNPGSA-N	494.407	6.068	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1	9428419	XCUURFLWCVIYTD-GWVNWDGKSA-N	491.591	6.427	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5cccs5)SC4=NC3=O)cc2)cc1	9452204	SAUHUYHWKCWJJT-ARJKYRGMSA-N	488.594	5.182	10	40	JKCB	
COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	9763230	KPLZRNSAZFTQBY-MDOVXXIYSA-N	459.340	5.818	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1cc(C)cc(C)c1	9969719	ZEPVXKUAMWGKFU-XQNSMLJCSA-N	471.644	5.771	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	12274967	IINHLBHFVUBXHD-XDHOZWIPSA-N	460.407	7.222	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1	35042579	FDCKFILSRRCCPV-OEAKJJBVSA-N	458.539	5.663	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)c(C)c1	59860495	QYODDCKKWGSVAS-GZTJUZNOSA-N	457.324	5.360	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1C	100525486	NLOAUYKEMGUEBH-WWDJGNSZSA-N	468.380	6.064	10	40	JKCB	
Cc1nc2c(c(-c3ccccc3N=O)c1C(=O)O[C@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C(=O)c1ccccc1-2	100926913	QCFQLASOCIGVFK-LWJIDSCHSA-N	480.564	7.038	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4CC)C(=O)NC2=S)cc1	208512647	WOMKPMYIIHZAHM-PXLXIMEGSA-N	459.615	5.102	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222875572	IFZSYVXOMKZAII-FGZHOGPDSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	223309599	QLZVUKYWGVHUIH-ZTCOLXNVSA-N	467.038	5.294	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(F)(F)F	223343910	SSYFOZIJWJJWAK-RPWUZVMVSA-N	496.558	6.274	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352855	HJJWUJQMJNVJNA-VPUSJEBWSA-N	470.642	6.126	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224266492	SPMHPIAXQBVRNQ-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1O	224434106	MCJBMDGKOJKYNG-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224566047	HMLBAYODLXMCTQ-IZLXSDGUSA-N	482.653	6.237	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccc(O)cc1	225345216	UVJNEFXTYUUVMZ-IZLXSDGUSA-N	498.652	6.159	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1C	408812816	TYTVOIKDGXBEDS-OEAKJJBVSA-N	460.917	5.202	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1	408894380	CGQDXVPRAGHVAR-KQWNVCNZSA-N	490.943	5.374	10	40	JKCB	
Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	408955963	VJSMVSIAMNXJJR-DHRITJCHSA-N	479.580	5.611	10	40	JKCB	
Cc1ccc(N2C(=O)S/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C2=O)cc1	409147117	VDZVCVUHUREBSU-UQQQWYQISA-N	473.598	5.480	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1C	409226401	NPXMKKRUTMCWRX-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409334723	VYFKDCGEJHECJT-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
O=C(O)[C@@H](SC(=S)c1ccc(C(=S)S[C@@H](C(=O)O)c2ccccc2)cc1)c1ccccc1	1620469	NILKISQEGXTVHI-BGYRXZFFSA-N	498.672	6.156	10	40	JKCB	
O=C1C(=Cc2c(O)ccc3ccccc23)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	3017885	OEQXKPGHLHFDSL-UHFFFAOYSA-N	450.519	5.294	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3C)C2=O)cc1OC	8819917	XSLVQWBYIKYRRJ-JWGURIENSA-N	484.643	5.413	10	40	JKCB	
COc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c(OC)c1	20288023	UJLPGCKESSGEJM-KQWNVCNZSA-N	470.554	5.451	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(c3ccco3)=NN12	28617729	GSJIIEZLRYIOLP-MTLBIAMWSA-N	457.298	5.514	10	40	JKCB	
CC1=NN(c2ccc(C(=O)OC(C)C)cc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	33771395	LADKZHYBOGDUJS-OEAKJJBVSA-N	473.485	5.535	10	40	JKCB	
COc1ccc(CCN2C(=O)N=C(O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1OC	38189013	ZUESEQSUXKSRDO-XLNRJJMWSA-N	495.535	5.397	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)c(Br)c3)C(=O)N=C2S1	41083659	IWKSBXYZOGTBHP-GQZSXMDHSA-N	484.375	5.074	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1cccc(F)c1	59137374	FMMAHAXVQIAETF-RGVLZGJSSA-N	482.309	5.502	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccc(Cl)c(Cl)c1	100661771	XKESSPUVHARUJM-KHPPLWFESA-N	470.747	5.936	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCCCC2	102651066	LJIWTCOZEBXBSZ-IDPBPBMLSA-N	473.635	5.606	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1	223097447	MORVNTAQVAYTBT-RPBOFIJWSA-N	465.066	6.448	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231615	BWZFEQWTDYVMAI-DQEYMECFSA-N	482.097	5.375	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cc(Cl)ccc1O	223490004	XNAXAISIIGSYMP-DQEYMECFSA-N	490.032	5.416	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223541881	KCALLZAGNHDYRY-UIOOFZCWSA-N	488.060	6.019	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	223558146	UCAWGBUGMCBQID-MMTNMYCKSA-N	475.589	5.252	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223720185	VGNIEZYZLDXJPO-NSOVKSMOSA-N	498.652	5.568	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223897763	KJZFZDRDKPCBMB-VSGBNLITSA-N	497.668	5.741	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224398106	KODCOIPPXGIVGP-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224438735	ZRNGPBLKFFNCOU-LOSJGSFVSA-N	457.578	5.509	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224601695	SCEHQANTUMWJQJ-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(O)c([C@@H]([C@H](O)c3ccccc3)[C@@H](O)c3ccccc3)c2)cc1	252441231	LDWPEGDDCZLRKJ-OUOZDZGXSA-N	489.593	5.052	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408577646	UCLOFHOGYYNSFC-KQWNVCNZSA-N	474.607	5.672	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2)cc1	408801225	SLLDQOOHCDJODV-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S1	408806413	MZTQXGFLHVFESH-UHFFFAOYSA-N	452.987	5.828	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C(=O)NC2=S)cc1Cl	408812100	CBJBZAZYPULXTP-UDWIEESQSA-N	497.403	5.712	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2)cc1	408852902	OEMVFUJFRAWPKC-CPNJWEJPSA-N	497.403	5.712	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(O)cc4)C3=O)o2)cc1	408983408	BNUQTRXMSCKWJS-OQKWZONESA-N	463.489	5.910	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)C1=O	409238575	LDUSDUFHRCSISO-SFQUDFHCSA-N	468.340	5.376	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S	409240647	LQBWBEMAQWCGFJ-PTNGSMBKSA-N	457.338	5.393	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC	409329124	CVCJZFLVVWPVJY-GIJQJNRQSA-N	463.964	5.272	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1I	409340303	UNGOPZXITUGSST-MHWRWJLKSA-N	467.353	5.014	10	40	JKCB	
Cc1ccc2nc(-c3cc(Br)ccc3O)c(-c3cc(Br)ccc3O)nc2c1	1655676	UCAFDJTZBWQKDS-UHFFFAOYSA-N	486.163	6.208	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)N1	8743402	CIZKJZBRRSGRND-UHFFFAOYSA-N	478.464	5.309	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1C	8763305	VUVDWYLTXXYGGX-VCHYOVAHSA-N	471.966	6.084	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1	8821753	QYDRGRQRKVVLQM-UCQKPKSFSA-N	477.973	5.960	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)c1	9404217	BFAOPOXWNJKFBW-MTJSOVHGSA-N	475.342	5.629	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCC4)c2C)cc1	13141932	AZTGGMJUTSIBGV-UHFFFAOYSA-N	454.526	5.179	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)c1	35039459	WSNMKMOBQFWPPA-ZVHZXABRSA-N	459.592	6.182	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)c1	58850072	HMPQITCTHJNBFD-BOCWGRARSA-N	482.605	6.476	10	40	JKCB	
CC(C)Oc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21	96114022	PRSMVNCLGBKJCN-KRWDZBQOSA-N	458.466	5.099	10	40	JKCB	biogenic
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223405771	LKCOPMZVBMUBCQ-SXOMAYOGSA-N	496.636	5.448	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223538301	ATWDCCXQNHSYAV-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1C	224265955	JLITUCNBSSNHIU-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224308453	SYJQUSRPVFLDMH-UIOOFZCWSA-N	467.642	5.987	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21	260851109	FEQONRREEPCFAS-WUFINQPMSA-N	498.696	6.678	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)cc21	260922646	QZRWBHPMVPZZRM-BJKOFHAPSA-N	484.113	5.291	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1C	260926948	XEGNQTXGSNVQIH-LPPUWEFUSA-N	460.647	5.257	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc(Br)cc2)o1	408741242	HRNMHPNISBRVCO-PTNGSMBKSA-N	472.132	6.453	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc12	408893102	FJXGZTYMPHMKNG-KQWNVCNZSA-N	482.536	5.389	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1Cl	408982628	INYZLBCVLTVAIR-YBEGLDIGSA-N	486.267	5.136	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409054560	BVVFXAOXYNKEHH-BKUYFWCQSA-N	481.379	6.278	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409060659	SJAMAPJIUKKOBR-HAHDFKILSA-N	458.533	5.727	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc21	409115609	NAXPKZJVPGKBPI-UCQKPKSFSA-N	461.392	7.294	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)c(C)c1	409328467	VUKFXLISKWRUGL-BUVRLJJBSA-N	488.634	6.035	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c([N+](=O)[O-])c2)SC1=S	1462150	CXXXIPJCQJRPGE-MOSHPQCFSA-N	480.571	5.067	10	40	JKCB	
CN(Cc1ccccc1)Cc1c(O)ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc12	2128783	LGKZLHOPLAFNRG-UHFFFAOYSA-N	473.912	5.557	10	40	JKCB	biogenic
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	2309061	KKAGIJKORMDKNJ-GZTJUZNOSA-N	459.310	5.404	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2F)c1	2427550	DWUUPBQFTVPHMP-UCQKPKSFSA-N	487.581	5.746	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c(C)n1-c1ccc(Br)cc1	2617676	FKOPIPORRCXNEW-UHFFFAOYSA-N	495.373	5.023	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccc(C(C)C)cc3)C(=O)N=C2O)cc1	8691608	MOPAYGUOPSWAPQ-XIEYBQDHSA-N	471.557	5.124	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1	9428551	KVAUWOVLMGKEGA-QIQQCEGHSA-N	483.351	6.433	10	40	JKCB	
O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc2ccccc12	11866666	XUMVOHPNFJELSZ-XDHOZWIPSA-N	483.412	5.442	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c(C)c1	13800638	NAMSZINGPAXVQT-ZEAYLUBASA-N	495.604	6.066	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	14009622	MPHWKGSIFIJJCK-QJOMJCCJSA-N	479.020	6.311	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2cccc(OC)c2)cc1	20288435	IKWFLTUPWFSDQP-ULJHMMPZSA-N	484.581	5.128	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)cc1	33749629	WBNVGEHJAJEDAT-MSYYJCCKSA-N	499.665	6.167	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	58845607	DEJXJYCMGFSRRE-UZINWLIJSA-N	462.571	5.331	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1c1ccc(F)cc1	59135023	JUAQLNZSROLUGH-YBFXNURJSA-N	485.298	6.218	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	59138717	PSTYIERBLBBRGB-DIBXZPPDSA-N	475.548	5.770	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc(Cl)c1	59418123	PIHLEXABLYOXBB-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S	80345695	XUFUTBSLPQSCLB-ZDLGFXPLSA-N	482.852	6.291	10	40	JKCB	
COc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)ccc1OCc1ccccc1Cl	96669693	CHYKVGMVCZZTPG-HYARGMPZSA-N	456.995	5.820	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	106692224	WKJCNKMJUGYPPA-PKAZHMFMSA-N	488.628	7.517	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	208315850	QQCAMSMDPSEXCB-SVZNOHIVSA-N	482.049	5.592	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21	208446985	ACNWMUNOKTXJCD-LICLKQGHSA-N	470.356	5.292	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437746	GIIQFAYNORDKLH-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1C	224467551	CJQDGHHPSWRVFG-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC	408727326	ZZBAHMBLTXPWQC-UHFFFAOYSA-N	486.593	5.459	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccc(Cl)cc2)cc1	408755538	OIVVHOYPZKXKDB-XQNSMLJCSA-N	460.917	5.360	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	408771894	JZSJNDSJQHHIQK-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1	408794654	AGPWTIQPQMWXIY-FYJGNVAPSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1	408895754	FNKBACMCSJECDM-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1C	409233662	LRWNSNIIIQYTOM-FYJGNVAPSA-N	461.949	5.339	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O[C@@H](C)CC	409345333	LIHDENJKGMRVBM-GQFJFNLSSA-N	481.561	6.687	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(Br)cc5F)c4C)c(=O)n3c2cc1C	409392795	NRMLYVPEDQANPW-YVNNLAQVSA-N	496.405	5.383	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S	2119834	FSOJUVRWLRQQLQ-YVLHZVERSA-N	468.825	5.903	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)cc1	8821610	WMIUQAHPUVMBBI-YBFXNURJSA-N	474.390	6.862	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(C)cc5C)c4C)C(=O)N=C3S2)c1	9293485	WMCONDZKPREKLZ-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1C	9309186	DFVWZGADOMBIKJ-HGMBWOCJSA-N	453.571	5.378	10	40	JKCB	
Cc1ccc(-c2csc(N3N=C(c4ccccc4)/C(=C/c4ccc(N(C)C)cc4)C3=O)n2)cc1	12403928	ZWVNMDDIGJJGNI-ULJHMMPZSA-N	464.594	6.019	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)n1-c1ccc(Cl)c(Cl)c1	13141811	RHGYAXFRSILIDG-UHFFFAOYSA-N	453.325	5.989	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)C1=O	14133096	VOKOJCFESCIWSK-XSFVSMFZSA-N	491.341	5.003	10	40	JKCB	
COc1ccc(CN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc1	20288549	OCMCKLHBAPIUKP-ULJHMMPZSA-N	484.581	5.128	10	40	JKCB	
COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)c1	24171919	UJBSGVVPZWVRFS-UHFFFAOYSA-N	463.452	5.550	10	40	JKCB	biogenic
O=c1oc2c(CN3CCN(c4ccccc4)CC3)c(O)ccc2cc1-c1nc2ccccc2s1	41585205	BSXYWIWEIJMAKN-UHFFFAOYSA-N	469.566	5.098	10	40	JKCB	biogenic
CCCN(CC(=O)Nc1c(Br)cc(C)cc1Br)Cc1ccccc1O	58251426	KIDACDNTYIXUTJ-UHFFFAOYSA-N	470.205	5.076	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847895	YLWBKFAWKHESFT-WZOHSFFVSA-N	468.981	6.415	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58849895	GZAQBMZCAOSYTQ-PPJWLVRDSA-N	490.581	5.411	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1	107828134	BZEUNQPMDMAPRX-XKZIYDEJSA-N	489.358	6.187	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c1C	208260953	UIDYJJHSNCXYHX-BKQORJHRSA-N	465.981	5.345	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223578802	MTLKWIYCNCZIPL-REIAIGDLSA-N	465.981	5.427	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	260562895	CMPHGVAEZHKXOV-RVZJCZPVSA-N	465.981	5.291	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260924258	SUIWYWGLAHFKEP-DCEDVJGZSA-N	481.065	5.602	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1	408765549	YMLIGEJTYPGKQG-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1	408796628	BBEZONNJBBFDQH-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(Br)cc2)cc1	408845230	VJHJLPLQXANSAN-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	408896503	RMCGOJFLIROVGJ-VXLYETTFSA-N	485.298	5.378	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1Cl	408934525	BDVBZBZGMZZYHQ-CIAFOILYSA-N	495.362	6.023	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)o2)cc1	409149494	HXONBOKZOYRDHV-CIAFOILYSA-N	496.997	5.657	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S)c1ccccc1	409211507	OAPSTCKDWGEUKF-ULJHMMPZSA-N	499.617	5.267	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	409347012	PIOGTWPHQLJADU-VCHYOVAHSA-N	454.400	6.197	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C2=O)c1	2308588	WWNAYVQTJRPARH-XDHOZWIPSA-N	479.330	5.301	10	40	JKCB	
CCOC(=O)[C@@H]1CCCN(c2cc(Nc3ccccc3C)c3c4c(onc24)-c2ccccc2C3=O)C1	2323318	XMQKKJLBXLUHSJ-GOSISDBHSA-N	481.552	5.871	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)SC1=S	2432108	CEVTZSOWXHIAAS-HMAPJEAMSA-N	463.628	5.856	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nc4c(n3-c3ccccc3)CCCC4)c2C)cc1	12546482	DRHFUZVKDDBNGF-UHFFFAOYSA-N	471.626	6.142	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	16292464	ZNYJCLVOLKLPIX-IWIPYMOSSA-N	461.608	5.984	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c1	16450257	DKWVQXFYBHTIEX-UVTDQMKNSA-N	470.865	5.109	10	40	JKCB	
CCc1ccc(OCCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	33390912	JMXNKMXCKJXIFE-ZHZULCJRSA-N	478.035	5.590	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	34261459	SAQYLXDGRVTGOA-NKFJNAIASA-N	468.026	6.337	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)ccc1OCc1ccccc1	59861564	OBRGNGSXODEEMU-PXLXIMEGSA-N	470.525	5.788	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222882087	HWUFJDZXAPQRHP-XZOQPEGZSA-N	455.027	5.534	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222968652	SWPGGRWPMVKERZ-PKTZIBPZSA-N	473.473	6.569	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	223041485	SKQANPZJEDEFTD-GOTSBHOMSA-N	471.070	5.376	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223795079	PAGONXGLWAVWAZ-SXOMAYOGSA-N	468.626	6.065	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1	224253105	KSMITTLLSUFLJR-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc(Oc2cccc3ccccc23)cc1	408669011	VPDVPGRYYUDZCN-UHFFFAOYSA-N	496.563	6.231	10	40	JKCB	
Cc1c(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc2n1C	408843365	DZWMWGGDDSHPJO-WGARJPEWSA-N	493.607	5.621	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408878299	ZWASZNWPQHWBQY-PCLIKHOPSA-N	484.914	5.890	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2Cl)ccc2ccccc12	408883616	VSBWJODCTVNVNZ-KQWNVCNZSA-N	498.991	5.904	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2)c1	408900601	WOKVOPOENYPWMQ-MFKUBSTISA-N	454.526	5.166	10	40	JKCB	
COc1ccc(Cl)cc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O	409093650	AXNWAXDMBQLHBH-FYJGNVAPSA-N	498.988	6.146	10	40	JKCB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O	409106401	RRZBHVBEFSYYGZ-OYADDEIPSA-N	460.555	5.359	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)o2)ccc1Br	409128139	IOZDFKFEPWKIRA-YQYFLZKSSA-N	464.406	5.398	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccc(F)cc3)c12	409134222	ODQSXQYVMCNFMQ-QRVIBDJDSA-N	476.598	6.386	10	40	JKCB	
O=c1c(Oc2ccc(Cl)cc2)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12	937822	IZFMMKHIYJYQPP-UHFFFAOYSA-N	453.844	5.949	10	40	JKCB	
CCOc1cccc(N2C(=O)c3cc(Br)ccc3N[C@H]2c2c(O)ccc3ccccc23)c1	2744768	CNUDGYFPYFGMQY-RUZDIDTESA-N	489.369	6.478	10	40	JKCB	
O=C(COc1ccc(C2Nc3cccc4cccc(c34)N2)cc1)Nc1cccc(C(F)(F)F)c1	3641656	SKWFHQCAFMUPDK-UHFFFAOYSA-N	463.459	6.412	10	40	JKCB	
Cc1cc(S(=O)(=O)O)ccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1	4758429	QWTSQNJVPXEOLI-PAMTUDGESA-N	460.515	7.240	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)S/C(=C/c3ccccc3)C2=S)cc1	6143095	FZOFTDISFZVDSI-HEHNFIMWSA-N	482.627	5.900	10	40	JKCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)C[C@H](C)O1	8441378	SMFDACZXJAVNJF-FYHPJVROSA-N	484.581	5.365	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O	8819353	SYNGAAGJELSSTB-PGMHBOJBSA-N	468.644	5.114	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821328	ACLWFNBCCZYDMV-SCWSXOCZSA-N	476.019	5.620	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9234688	MTCPUKZHZXWISE-XVIKKCDJSA-N	459.962	5.415	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9243037	JYDYBTIDWXBLKU-XBTDNQOLSA-N	491.979	5.863	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1	9378083	GZZKPGJEXFFXMT-UHFFFAOYSA-N	488.588	5.277	10	40	JKCB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	13040467	PUNPPANUTMWZTR-UHFFFAOYSA-N	465.912	5.420	10	40	JKCB	
C[C@@H]1CCCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CCc2ccccc2)C1	13562245	BTVKPQQUPZTAFH-LJQANCHMSA-N	454.039	5.797	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N=C2S1	41108141	TYJXIJQQZJGLJE-OSZNWEDFSA-N	471.498	5.139	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	113835571	NFKFVKZUOPMEKB-KEBDBYFISA-N	477.413	6.946	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21	208452508	BPSSHXPOBKFSTP-RGVLZGJSSA-N	466.006	5.111	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391954	GPMHGKOIGSXBAW-XRKRLSELSA-N	480.681	6.533	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223558734	PIRBHCODDKAMAY-GKXUUXLPSA-N	465.981	5.507	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224338178	BYBXJNNNESEKIE-URLMMPGGSA-N	495.696	6.295	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O	224401651	GGRDVIKGVFYIJM-RPBOFIJWSA-N	486.572	5.504	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	224558638	NZXFYYPLBPMBCV-LOSJGSFVSA-N	455.587	5.070	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	408877160	TYUIKLBXDKKMSP-OYKKKHCWSA-N	491.588	6.032	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br	408902996	UAAKDEWZFGQTAF-DEDYPNTBSA-N	469.429	6.262	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)SC1=S	409007677	QQUNEMHCRLPHJJ-YVLHZVERSA-N	498.851	5.911	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc(Cl)c1OCc1cccc(F)c1	409088005	DLBMYOZHOCBEBR-BCUAHEQISA-N	494.009	5.447	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCC	409206788	PXIILDLSDWKRMF-WOJGMQOQSA-N	464.406	5.652	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409239347	PNGKJEFULBARAE-UHFFFAOYSA-N	481.552	5.269	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)cc1	409242682	SENXEWFOVXQGIQ-MOSHPQCFSA-N	495.398	5.664	10	40	JKCB	
O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1c1ccc(Cl)cc1Cl	409338219	FYAYFHGOCVNQQW-NSIKDUERSA-N	463.180	6.301	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1	409345416	LVQKHWNJOYYQDD-KGENOOAVSA-N	467.999	6.333	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1cccc2ccccc12	409346944	LUMUFTMSSDZQRX-XHPQRKPJSA-N	483.614	6.703	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)c(Cl)cc12	1614472065	GCTLTJXIRFPHAV-FNXRTMJISA-N	497.079	5.890	10	40	JKCB	biogenic
Cc1cc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1	1871912	PHCZCHXOXGVPNR-OEAKJJBVSA-N	478.017	6.543	10	40	JKCB	
COc1cccc2cc(-c3cc(=O)oc4c(CN(CC(C)C)CC(C)C)c(O)ccc34)c(=O)oc12	2130421	GCTYOVSTNFRXKE-UHFFFAOYSA-N	477.557	5.395	10	40	JKCB	biogenic
O=C(O)CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	2276818	XPAPRANZYMZLRH-LTGZKZEYSA-N	477.611	5.386	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccc(Cl)cc1	8743255	GMFGZEYLPFIQHC-BOPFTXTBSA-N	453.863	5.180	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O)=C\c1ccccc1	8820624	YMADBHZIOJBHOJ-RXWRJZILSA-N	463.411	5.780	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1	9428124	YAGGXTSGPFHWKT-XWCAUFEOSA-N	480.973	6.264	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	12854577	GNNNYFFUMSZVCT-LJAQVGFWSA-N	485.653	5.381	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	13894096	QASIAECIJICNDW-AABCQZNVSA-N	476.063	6.532	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1Br	14406671	VGKYKJNJBVWVDG-ATVHPVEESA-N	491.179	5.479	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2c1	16956731	CKYGOSNHYVIUNC-XMHGGMMESA-N	464.518	5.448	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3Cl)C2=O)cc1Cl	33330657	NOQWIHJBZWVJCP-AQTBWJFISA-N	484.339	5.689	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(Cl)c(C)c1	33391806	NBHSVMYSVCTLTB-STZFKDTASA-N	478.035	5.726	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(C)cc1	33905491	QVQDQAPYJALTFV-PSKBPPSXSA-N	495.604	6.277	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3O)o2)cc1C(=O)O	59104686	GKDACIANXHFFIP-WOJGMQOQSA-N	450.834	5.113	10	40	JKCB	
O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	59418668	YARNMNZYXJSRFF-ORSAVRBESA-N	489.962	6.849	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1F	100319863	LEBFVXFILBOPLK-UDWIEESQSA-N	495.348	5.982	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	223796147	OKMONYKDGJWUMV-VMPREFPWSA-N	496.680	6.627	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609815	COUUIPIXYPYIKA-RPWUZVMVSA-N	455.587	5.075	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2cccc(C)c2)c1	408803344	NUHQAKGJHUPODW-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1cccc(F)c1	408874398	AYMUJVWPBPGKDL-HZHRSRAPSA-N	472.516	5.098	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1Cl	408934576	FDBVQSSLDVTUEM-NDENLUEZSA-N	464.880	5.033	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1	408939417	MKPGVCHKSGCRIP-CIAFOILYSA-N	495.362	6.023	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCc1ccc(F)cc1	408983702	HBJDTDPCTKHHMO-HAHDFKILSA-N	488.515	5.032	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1Cl	408989647	UUKQTSUFQSDROU-QRVIBDJDSA-N	475.976	5.846	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Br)cc1F	409124514	ARWMHPSZWDSRFV-SRZZPIQSSA-N	491.426	6.612	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1C	409126671	MKEDCFIRFZXFQS-WJDWOHSUSA-N	471.365	5.702	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O	409237150	JRYLVVGKDXUPBK-RCCKNPSSSA-N	499.954	5.408	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)cc2)cc1	409350075	XBNBJIFOOSYSFT-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1Cl	2301994	IMKXPRORGSQWAV-SFQUDFHCSA-N	451.400	5.614	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1C(F)(F)F	2304248	AXHDFWMZXSCUOO-SFQUDFHCSA-N	484.952	5.979	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O[C@@H](C)CC	3769540	DNDBHGMCIGQHDT-HSWQHBDASA-N	465.999	6.461	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C=C1c1ccccc1	8872219	ZMAQPNKCWRUOCG-XMHGGMMESA-N	461.315	6.137	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	8984729	DMROIIMGDMCNPV-GGMSWHNTSA-N	498.579	5.633	10	40	JKCB	
CCN(CC)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(NC(C)=O)c1	31351446	WFFKSTRPZWRBEW-QURGRASLSA-N	479.291	5.486	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	33411844	JRIJJOXQAJOAOT-ODLFYWEKSA-N	451.972	6.072	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1	41084883	NPQFHYMJNCXAEO-SNCYIGMASA-N	489.645	6.082	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccn3-c3c(C)cccc3C)C(=O)N=C2S1	41108321	MSDABCVBEPAYKC-AKZCVUIYSA-N	469.570	5.101	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	113833378	XXRPBQXGIVOFOS-HYARGMPZSA-N	484.599	5.716	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccccc1	214768391	ZOUDEBFIMKPDRE-CIAFOILYSA-N	457.382	6.637	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4C)c3C)N21	222702391	ZRSAENXUCIMWQQ-NTUVXCKYSA-N	451.039	6.430	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222968075	IBKQLBITKLMILS-SVBPBHIXSA-N	475.706	6.108	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1NC(=O)C(C)C	223153218	MNKUJMKEAMMOBW-IBGZPJMESA-N	489.707	5.279	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223539479	LRQWKXPRQNLELS-GLFIFPSUSA-N	499.474	6.798	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	224168503	MCOJLPOJXUCYOO-RPBOFIJWSA-N	468.582	5.364	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)nc1	224274202	WCZCCXMVNFCHRV-SXOMAYOGSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1F	224432413	SFBXAVFADOHUBA-DQEYMECFSA-N	460.553	5.944	10	40	JKCB	
COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CC=C[C@@H]21	408736663	ZPSHNCZUPVQIGO-ALTZYDRJSA-N	461.561	7.032	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)ccc1F	408738089	NKVBKRUQEKJUOF-XSFVSMFZSA-N	490.361	8.172	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2F)N1c1ccc(Br)cc1	408758765	QTORLGSXVRMEHW-DEDYPNTBSA-N	466.266	5.331	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1	408779335	CWPQNEROEKPYMN-MFKUBSTISA-N	497.982	5.935	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(C)cc4)ccc4ccccc34)C2=O)cc1	408802215	XRYSKHUOTPJJRV-OVVQPSECSA-N	490.559	5.956	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC(C)C	408819114	WTIBSTZUMDPXRI-LZYBPNLTSA-N	477.344	5.154	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	408892189	HBAZVXJGEWCHSZ-MOSHPQCFSA-N	464.315	5.185	10	40	JKCB	
CC[C@@H](C)Oc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC	408903956	BRORNBZLTOLEKY-XWAFYUISSA-N	490.341	5.283	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(Cl)c(OCC)c(OCC)c2)C(=O)N(c2ccccc2)C1=S	409024467	YROROMCHLOKUBJ-QGOAFFKASA-N	472.994	5.091	10	40	JKCB	
Cc1c(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1Cl	409198197	ZMBOONFYAMXNMB-IWIPYMOSSA-N	455.945	5.744	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)SC2=S)cc1	409329499	DMYGBMYFKYIWAT-GZTJUZNOSA-N	450.379	5.262	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)SC1=S	409333603	USJSIFVNPLEJBF-MOSHPQCFSA-N	458.561	5.184	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S	2203272	MIVOFHLAVPZLQK-SDXDJHTJSA-N	467.641	5.237	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)c(C)n1-c1ccccc1	3337022	SQUZODAZJMRIPI-SFHVURJKSA-N	452.554	5.807	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCC(Cc2ccccc2)CC1	8857620	JBURHJXLHUKVQY-FCDQGJHFSA-N	498.739	5.991	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccccc1Cl	9553323	YHNJQMBIJOTTJA-CPNJWEJPSA-N	498.453	6.071	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2	13148607	MSKODVBHSPJDAE-UHFFFAOYSA-N	481.504	5.487	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2cc(C)cc(C)c2)cc1	20288927	WTHROVAPLDIXGJ-MOHJPFBDSA-N	468.582	6.059	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	35073779	PYYYDVQFIWQJAY-ZKNSXIRRSA-N	461.635	6.301	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	58846035	XDDKIODOGLGVHZ-LZCXECNNSA-N	491.569	5.539	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58848947	FZJJBNYEVOEIGY-LZCXECNNSA-N	462.571	5.331	10	40	JKCB	
COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1/N=N\c1c(O)ccc2ccccc12	104389049	QYWBQBADPDTPCU-DYORGOFNSA-N	462.487	6.632	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106686464	QCUFSZRWPLFOQP-FBHDLOMBSA-N	491.827	7.291	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	106696417	NRPKPBJWBHCLMB-XYGWBWBKSA-N	491.588	5.306	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223727241	YHOOADGEGKTTQA-AHKZPQOWSA-N	490.673	5.340	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223798756	ZQYKYFKBGDVFCF-SVBPBHIXSA-N	484.625	5.771	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(O)cc1	224401159	ZQNXOYMDFHQGDF-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)cc1	225358717	INJDACGJZGEBMR-NSOVKSMOSA-N	498.652	6.154	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC	408540485	SKFGFDIZXMVAQP-AQTBWJFISA-N	472.994	5.139	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	408571542	BPUHEGQNYQLDKX-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)OC(C)C	408603595	RWFFXYZXHOTSQG-CIAFOILYSA-N	471.600	5.048	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1	408759092	XQZAKIASCOEKTI-XSFVSMFZSA-N	488.952	5.881	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1	408803795	ANLLIQWADLEGMI-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)c1C	408889968	LWUBDFYPWOSRBJ-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCc2c(C)cc(C)cc2C)=N1	408988163	HHFVGJXGEYBVJU-NDEPHWFRSA-N	498.696	6.524	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408995889	BWCHNSWQKXMTGN-SWYXWEQBSA-N	453.538	5.699	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1OC	409333535	SPTPFWNPHAVHNC-RQZCQDPDSA-N	484.824	5.916	10	40	JKCB	
Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c2oc1=O	1614472189	OCXCAPFXXCGSEJ-WJNSRDFLSA-N	469.025	5.164	10	40	JKCB	biogenic
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1	8741493	YMPOYQOXMZSAAY-DUYBAWCLSA-N	495.554	6.849	10	40	JKCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1	8820225	SYJKTUBFTNAKKZ-CXUHLZMHSA-N	492.072	5.289	10	40	JKCB	
Cc1cc(NC(=O)c2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)no1	8828423	RNFRMEHQRBOAOH-LICLKQGHSA-N	489.500	5.660	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C	9293374	BOPDJASUXIAQSQ-NGPDJBMTSA-N	465.888	5.237	10	40	JKCB	
Cc1cc(C)cc(OCCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	9724488	JSBGWWILBWAKGA-ITYLOYPMSA-N	489.662	6.553	10	40	JKCB	
CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)cc1	13129501	ADLQLWJPIWBACS-UHFFFAOYSA-N	491.588	6.357	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1F	13688402	PLMBRKLKHKAWSS-IHRLJDSVSA-N	466.538	5.079	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1OC	13940146	DBCPPYLKIUPANR-KELUXRKGSA-N	478.035	5.809	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2cccc3ccccc23)cc1	25394053	BKGXUESBSJLQNH-QVIHXGFCSA-N	452.514	6.117	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	34388869	QCTMRVPBYZDCRE-JRNAOYQWSA-N	476.602	5.508	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2	58849709	ZFDXAUWQACUVQQ-OREGWCPLSA-N	460.599	5.939	10	40	JKCB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(N(CC)CC)cc4)[C@@H]3C2=O)cc1	101149374	SDFGADUTZMUCIW-IARZGTGTSA-N	499.611	5.373	10	40	JKCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	103918211	CABSCKLVESYXOH-HFTWOUSFSA-N	455.577	6.414	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O	107731873	CAXZNXZUSQXMTI-BKUYFWCQSA-N	467.566	5.026	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	108981755	PZPWAVZUTFUFJW-WQRHYEAKSA-N	487.726	5.327	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc2ccccc12	223342171	CANHWWUVMNOJLP-WUFINQPMSA-N	478.621	6.408	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1	224239541	PSWZRQOLCHBYFF-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224366213	HRYFHEYENRMVDI-VMPREFPWSA-N	480.681	7.098	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224604739	BFXFGNPFFFOSCI-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(Cl)ccc4C)c3C)N21	260766095	IZCRQVOWEXIXPZ-YGOYIFOWSA-N	451.039	6.430	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(C(C)(C)C)c1O	408529533	IICCMOXREMSWTN-XDHOZWIPSA-N	470.616	6.301	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)Nc1ccc(F)cc1	408577859	UZIIRRXLPACOKO-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	408880311	HGQDTXCHEUYKHB-XYGWBWBKSA-N	454.570	5.584	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O	408901166	WMXFKRDLJDOZAC-MOSHPQCFSA-N	493.357	5.364	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	408903309	XEFKWYHWTOTQLK-FYJGNVAPSA-N	492.329	5.742	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1Br	409064185	OFUICVFDEQIFBE-UDWIEESQSA-N	468.326	5.089	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S	409104181	GFWUSSWEIBUFHY-LICLKQGHSA-N	468.383	5.248	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1	409339855	LRMCBHURKLLHHQ-VXLYETTFSA-N	490.389	6.666	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)SC1=S	409343045	CJCQPNUNCJWUJN-FYJGNVAPSA-N	464.568	5.207	10	40	JKCB	
COc1ccc2c(c1)c(C(=O)COc1ccc3c(oc(=O)c4cc(OC)ccc43)c1C)c(C)n2C	2146856	PJRSRGZWESHVHE-UHFFFAOYSA-N	471.509	5.334	10	40	JKCB	biogenic
CCCCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O	2418704	IAWXEWUDZYDAEK-JWGURIENSA-N	489.563	5.677	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)cc2)cc1	8763334	FPPSMSXVUUCHHQ-QNGOZBTKSA-N	455.601	5.420	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc4ccccc34)C2=O)c1	8819190	MSOPAOCHCCKCPF-JWGURIENSA-N	462.596	5.469	10	40	JKCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3cc(Br)ccc3o2)cc1	8846121	SQJJHHZLOIJVBZ-HXUWFJFHSA-N	457.368	5.083	10	40	JKCB	
Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2O)cc1	8974173	DRAKQXYVTUXDED-UHFFFAOYSA-N	455.988	6.459	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	9211029	QAKMHIUYHDLYPX-BIRLBKGPSA-N	459.619	5.910	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	9309118	OJJSAYMNDGKSJC-WSBZGFMLSA-N	477.537	5.443	10	40	JKCB	
Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	10078583	NIDNNXIBPOKNTF-NDEPHWFRSA-N	497.620	5.616	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccc(F)cc1	13940821	QKBDBEAAFUBHII-ZTULNLNQSA-N	485.466	5.319	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Br)c2O)SC(=S)N1Cc1ccccc1	15011473	ZBQFVRZXQSTNQR-VGOFMYFVSA-N	485.222	5.319	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc12	19793064	QCCOOMQHZQMSND-UHFFFAOYSA-N	465.468	5.940	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	58845620	BTSPYWBALUAPRO-SGIRGMQISA-N	460.555	5.101	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1	58845888	MUTYSHUGPORUIS-LZCXECNNSA-N	460.555	5.351	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	58846061	DXGQPXOCFOBLOW-JWZKTCGFSA-N	458.627	6.493	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2OC)N3)c1	58848811	AWWZUCNUPKDXDF-UZINWLIJSA-N	492.597	5.340	10	40	JKCB	
COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)sc2c1	101746958	WZRQZTGXLVPYJB-GDNBJRDFSA-N	471.380	5.403	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc2C(C)=CC1(C)C	208509989	PHXZRUKBLNAEGP-XKZIYDEJSA-N	497.458	6.707	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223012833	UBVQVPSZDXOGBA-FGZHOGPDSA-N	475.445	5.415	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223494153	ZIURYGVNUGAVMQ-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172820	FGMDWKYBKFDJTF-XTEPFMGCSA-N	466.654	6.537	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	224445995	BNHYCSSWYHDDMD-UZPCJBMISA-N	457.574	5.227	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1	408842188	NOSPPTDMZNWPBR-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	408904503	KLYFXJONQYSIEK-BUVRLJJBSA-N	468.944	5.740	10	40	JKCB	
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	408956490	XLJFOXGDUQKGLA-FSJBWODESA-N	490.987	5.483	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	409047051	MIOKJUYKANEDGE-NTEUORMPSA-N	467.736	5.410	10	40	JKCB	
O=C1/C(=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)C(c2ccccc2)=NN1c1ccccc1	409079639	LLZNDNNLJYWIPN-LHLOQNFPSA-N	480.545	5.289	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC	409329985	JIRICHNHRDYORG-LICLKQGHSA-N	496.473	5.984	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21	9193219	SXAJJAHKVIKPGV-VALGJJBMSA-N	476.565	5.060	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)o1	9234248	RSKYNMVSKUVLJA-RGVLZGJSSA-N	453.903	5.843	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9292078	FAWWJWFNIOQVFC-DAVZBEIMSA-N	489.604	6.109	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1	9310267	KMJRCZGVZKEZLO-YDZHTSKRSA-N	479.001	6.888	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(O)cc1	9934513	BKQLLPVYICPWQL-CAPFRKAQSA-N	450.450	6.032	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl	14132897	FRQKRXKCSYWNMM-XSFVSMFZSA-N	490.943	5.293	10	40	JKCB	
CC1=CC(=Cc2sc3ccccc3[n+]2Cc2ccccc2)C=C(C)N1Cc1ccc(Cl)cc1	15906042	LKRCCOHIORHPGP-UHFFFAOYSA-N	470.061	7.597	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1	26687002	IDBHHVOKIJTMLN-STZFKDTASA-N	488.030	6.102	10	40	JKCB	
Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	33157367	DAIXWFIIKJXPFE-YRKOIEFQSA-N	454.555	5.180	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)c(OC)c1	35039462	SOOBVDJGTYBZMK-ZVHZXABRSA-N	477.607	5.997	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC	40940316	QBAGEKWYAVQKTK-ZHZULCJRSA-N	491.034	5.464	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1	58845929	RVIFPQJSSXXDML-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1	58850266	CQVZPXLUOBAFDJ-CEYNDMKZSA-N	484.980	6.115	10	40	JKCB	
Cc1cc(N)ccc1/N=N\c1ccc(-c2ccc(/N=N\c3ccc(O)c(C(=O)O)c3)cc2)cc1	104381614	NBZHFJRZIJHHCL-BRMDCIMDSA-N	451.486	7.479	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1OCC(C)C	208789882	JZMOUOBAPIUEJL-VCHYOVAHSA-N	492.211	6.053	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	223726771	REJSIYGDTFBUHE-UIOOFZCWSA-N	476.646	5.032	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224366697	ZMVHWRIGRNHQSX-IHLOFXLRSA-N	494.708	7.352	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224535195	VJKPETXSXVLXMQ-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224573503	OECKSZGSLRUEPM-YTMVLYRLSA-N	496.680	6.546	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)c(Cl)c3)cc2)CC1	225655698	VYAIXVLLWVXOAA-OAHLLOKOSA-N	466.876	6.386	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-]	408538956	RZQCYMIGZDSKCD-KQWNVCNZSA-N	456.546	5.781	10	40	JKCB	
Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccc([N+](=O)[O-])cc5)c4C)C(=O)O3)ccc2c1	408753978	CUEVZTMNFZPAOQ-IWIPYMOSSA-N	450.494	6.445	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408765647	MVZZJSZZAPPBQJ-XMHGGMMESA-N	459.914	6.297	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O	408770815	AWRVHJCVFKJEOH-JJIBRWJFSA-N	469.585	5.620	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cccc(Br)c2)N1	408861671	UPHIMFBPRCWDJU-KCYKTTMJSA-N	456.339	6.051	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S	409093748	AWLDYFPHTPLHNH-LFIBNONCSA-N	457.338	5.393	10	40	JKCB	
CC(C)Oc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1	409100309	UZKSLMSNFXWJPV-OEAKJJBVSA-N	492.597	6.271	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccccc3F)c12	409137432	VENFGTFQOWZGGK-UUYOSTAYSA-N	452.620	6.248	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1Cl	409220922	HUHQKYQMQXDJCL-UDWIEESQSA-N	456.011	5.403	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	409349862	WIYQVLIUSUDJOV-YBFXNURJSA-N	492.018	5.313	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	1421580	ASKCDWMQIMCGSI-WGOQTCKBSA-N	488.613	5.440	10	40	JKCB	
CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2383256	QAHXQEOLADCIJB-XYFQYJLHSA-N	451.551	5.958	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)c3ccccc32)c1C	3359912	YJZYDIODOGORJY-BWAHOGKJSA-N	462.549	6.139	10	40	JKCB	
CN(C)c1ccccc1NC(=O)c1cc(/N=N/c2ccc(C(=O)O)cc2)c2ccccc2c1O	4044765	DNIIZDYYLFDGIL-ZQHSETAFSA-N	454.486	5.977	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C3\SC(=S)N(c4ccc(CC)cc4)C3=O)SC2=S)cc1	8870034	LFSVSKVRKHQVMZ-ISLYRVAYSA-N	470.666	5.453	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccc(F)cc1	9232471	JXQLJZXWQRPFHT-OEAKJJBVSA-N	481.570	5.828	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C	9295799	MMUFTFXHTJYCQP-XKZIYDEJSA-N	495.442	6.710	10	40	JKCB	
CC1=NN2C(=N)/C(=C\c3c(C)n(Cc4ccc(Cl)c(Cl)c4)c4ccc(C)cc34)C(=O)N=C2S1	9635704	KFSAKHLIYWXTBX-JDEOPTGGSA-N	496.423	6.252	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(F)cc1)N1CCN(C)CC1)c(O)c1ccccc12	22785639	MVYHLHIYRBYFKC-RUZDIDTESA-N	476.548	5.253	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1	34828631	CLYNTHMYSIMYCW-ZKNSXIRRSA-N	453.571	5.264	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	58846619	NTDAZVQBLSPSRZ-PPJWLVRDSA-N	465.018	6.584	10	40	JKCB	
CCCCC[C@@H]1CCN2c3c(cc(C(=O)O)cc31)[C@H]1C=CC[C@@H]1[C@@H]2c1ccc(Br)cc1	101636388	SATVLVYEJAZVPV-KJMJZGGDSA-N	480.446	7.436	10	40	JKCB	
Nc1c(C(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)sc2nc(-c3ccccc3)ccc12	215745704	FBSUBDHMFVHGCE-UHFFFAOYSA-N	472.570	5.399	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223723047	VGLCMPCUXOOZLE-RPWUZVMVSA-N	483.037	5.068	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N(C)C)cc1	223860726	OZJHSWLGXILRRV-KAYWLYCHSA-N	483.641	5.438	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224333971	HPAYFXODJQUWIT-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1	224354795	JAPQIIJHRUDJFT-JLJGYXLTSA-N	473.642	5.695	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1F	224463997	MQYJQXWAPGFBOY-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
CCOC(=O)N1CCN(C(=S)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)CC1	408735901	YCVWSTMNVRUBCG-UHFFFAOYSA-N	496.592	5.527	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)cc1	408757022	ZEIXSBXMGLCKBT-XSFVSMFZSA-N	490.943	6.315	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)S2)cc1	408775677	IXRDIMQOFWZRAY-DKOMQPSQSA-N	455.986	6.049	10	40	JKCB	
CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1	408781448	AJNQBBPSBSOSCU-HKOYGPOVSA-N	482.536	6.331	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	408876233	OBVICVHWPCFKJV-HZHRSRAPSA-N	458.945	5.522	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1	408877765	UIYXGAMSDFYVIR-MOSHPQCFSA-N	492.984	5.149	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OC(C)C	408900931	AFDAZMMFSYDUTL-YBFXNURJSA-N	478.433	6.041	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(Cl)c4)C3=O)o2)cc1	408986258	PEYONQAYSYQVQR-CJLVFECKSA-N	481.935	6.858	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409064504	CQNIIKLBJOARTK-QFEZKATASA-N	489.015	6.237	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409094924	GRKMMRWTWOYPKT-UDWIEESQSA-N	452.894	5.297	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O)Nc1ccccc1Cl	409232346	OAZYOIASMXMNHM-HZHRSRAPSA-N	492.000	5.768	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O	409237724	LFDAFTUNAPSMQO-HZHRSRAPSA-N	458.583	5.582	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1ccc(OC(F)F)cc1	3352627	SEUFDFJIONBKTP-UHFFFAOYSA-N	492.617	6.267	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCN3c4ccccc4Sc4ccccc43)c2C)cc1	3358565	LJYOXHVUGJLWEF-UHFFFAOYSA-N	496.632	6.821	10	40	JKCB	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	8833890	AXPQLTSJOAIRBV-SBNBMVPLSA-N	456.372	5.564	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)SC1=S	8870027	OEASIAXLYJZHMQ-RUIRWZRLSA-N	470.666	5.441	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1Cl	9273929	XSIMVPBTKVCWQZ-SMESXNLSSA-N	453.999	5.721	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	9282102	DGLIWNZXGCVGMG-AXZYZTBISA-N	457.534	5.209	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	15011640	IHPJHPBKOJAGLH-VCHYOVAHSA-N	477.350	6.567	10	40	JKCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cc(C)cc(C)c4)C(=O)N=C3O)c2C)cc1	23382852	ZAOMHENTILYTRS-ZVHZXABRSA-N	470.529	5.176	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S	27018136	LOVIQUAJYRQKBG-BWAHOGKJSA-N	483.662	7.084	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418242	QFPKFRICXRLPIX-FYJGNVAPSA-N	466.515	5.719	10	40	JKCB	
C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CSc1ncc(-c2ccccc2)s1	118914476	RUPJLEKJZUBHKS-FCQGIAGDSA-N	481.771	8.066	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	208309242	DXNUIWLCLMZQTF-XWAFYUISSA-N	486.399	5.772	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Cl	223345400	ZTRKVUJUOALZLT-DNQXCXABSA-N	463.006	5.908	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1Cl	223345456	ZTRKVUJUOALZLT-RPWUZVMVSA-N	463.006	5.908	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223720230	VGNIEZYZLDXJPO-WUFINQPMSA-N	498.652	5.568	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224202519	WJLHQWVCOAKSJI-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224336140	ZVOGRBZPPYWACE-RRPNLBNLSA-N	487.072	6.882	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(F)cc1	224432708	MNBQQIFFOMFBBA-RPBOFIJWSA-N	460.553	5.944	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c(C)c1	225019344	FYAPNXVITWYIEU-BDYUSTAISA-N	458.675	6.330	10	40	JKCB	
CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408577903	VPDHOJGQTZAKKK-HAHDFKILSA-N	492.597	5.811	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)cc1	408791428	YREOEBHYPJOZAU-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O	408802952	JMYRQXNMNCOGCY-CPNJWEJPSA-N	464.880	5.033	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(F)cc2)N1c1cccc(Br)c1	408840029	AJTSCDXRWUAWAG-XDHOZWIPSA-N	466.266	5.331	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C2=O)ccc1Br	408898337	LHHVFTUAFDQRFD-MOSHPQCFSA-N	493.357	5.364	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	408984235	FVDMMYLRWBDQLK-RCCKNPSSSA-N	499.925	6.997	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	409068109	KEGMLQNCIQSHCK-KSEXSDGBSA-N	481.379	6.278	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	409328248	QOZJIACQSOIDTC-HZHRSRAPSA-N	481.042	6.391	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O	409346590	NXINAYAXPUANPS-MXAYSNPKSA-N	475.679	6.877	10	40	JKCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc12	4290118	XTZCGELSAIFNCH-LJQANCHMSA-N	497.513	7.227	10	40	JKCB	
N=C1/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	4642199	WTVBVPLWKHYUNA-FLNQGOITSA-N	472.957	5.586	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1	8821271	LCKXIRYYCYSQOZ-UCQKPKSFSA-N	475.591	5.986	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	9307010	VYOIHIAATJESPX-DSKFECOOSA-N	474.417	6.066	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3c(ccc4ccccc34)N12	16033536	YQABZEKEFAZJFG-YTCPBCGMSA-N	469.540	5.862	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)o2)c([N+](=O)[O-])c1	16712293	DEVZUPNNDGEFHF-PDGQHHTCSA-N	460.533	5.009	10	40	JKCB	
N=C1/C(=C/c2cccn2CCOc2ccc(Cl)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	33157375	IWQROLRQVJCOFC-KYTOZCRMSA-N	474.973	5.525	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1cccc(Br)c1	33391165	NWEPIUDZRQAACK-RIYZIHGNSA-N	455.196	5.617	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3c(C)n(Cc4ccc5c(c4)OCO5)c4ccc(C)cc34)C(=O)N=C2S1	33734660	OOZPPLGHCQMWGD-OCKHGHBESA-N	499.596	5.454	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1	33768097	ZKKBMCGXQQOQQG-LXROFQDBSA-N	499.665	6.221	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)o1	209546335	ZQBGAIQKDPBQCW-OYKKKHCWSA-N	469.518	6.343	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224167755	XYIISAZGZJRDHO-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224253866	KXXMGMFRNKXLMW-RRPNLBNLSA-N	496.636	5.761	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1O	224465564	ODQIYSKGSVUJBH-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(O)cc1	224465741	JHTZPXAYFTZSDS-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224602177	SJMHOJSSVSESNV-KAYWLYCHSA-N	468.626	5.934	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c1	408571668	CEPDOGXXPBSSIT-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)NCc3ccccc3)SC2=S)cc1	408574793	DEHSEQOEBUIKDA-HAHDFKILSA-N	474.607	5.096	10	40	JKCB	
O=C(c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N(C1CCCCC1)C1CCCCC1	408722514	VENYCHQITDZFAP-UHFFFAOYSA-N	487.647	8.197	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cc1	408738343	VPECZYAIRVQMET-CJLVFECKSA-N	486.398	8.287	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1C	408804227	DMSQLGCBNKHPEA-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)c1	408874635	CWHKCVRXBNJZPY-FYJGNVAPSA-N	493.390	6.176	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)c(C)c1	408940194	UOAKIDLWUCVOKI-HMAPJEAMSA-N	460.917	5.202	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1	409080661	MFBBCAHKECPSAV-ANYBSYGZSA-N	498.557	7.392	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c(C)c1	409124829	CWBHYGIORGPWRG-HYARGMPZSA-N	483.568	5.277	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(C)C	409182428	MCHGDGPVKGVJII-JMIUGGIZSA-N	465.999	6.318	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Cl)c1OCC	409326591	CLKFFIBBBVGPQI-WOJGMQOQSA-N	466.049	6.265	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1C	409334336	WYKOEGFZNZRKSL-YBFXNURJSA-N	460.407	7.276	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc2c(c1)OCO2	409339303	GZSWPTGKOGECPY-DJKKODMXSA-N	486.914	5.643	10	40	JKCB	
CCOC(=O)c1c(CSc2ccccc2)n(Cc2ccccc2)c2ccc(O)c(CN(C)C)c12	3144050	OPYKLJUYPNGBCX-UHFFFAOYSA-N	474.626	5.926	10	40	JKCB	
CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2coc3ccccc3c2=O)cc1	8384458	XCEZQXLOSWSTJI-UHFFFAOYSA-N	454.614	6.666	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C	9291777	VEZGMVPHAJYBCH-LEVFQZARSA-N	465.888	5.237	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12	9461626	RMYVOXOQERDGFV-ISJGIBHGSA-N	462.549	5.224	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S	12466962	ULATWXLFKOVZCY-XDHOZWIPSA-N	467.953	5.026	10	40	JKCB	
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O	13749938	LDRZKJCDMCQIBZ-QUWSGOTNSA-N	492.670	5.283	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccc2ccccc2c1	16476924	PJZRTYZGEULWRB-PFONDFGASA-N	451.917	5.783	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1Cc1ccccc1	16479716	ABDDQAGRNNNZHP-HMAPJEAMSA-N	452.000	6.320	10	40	JKCB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	20461989	VHBMVXQQGFDELM-HAHDFKILSA-N	498.435	6.042	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)o2)cc1Cl	32109546	OEWZRMOQHKNODW-SREDRKHISA-N	460.946	5.884	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	33438688	TXQSIIWODCKWQN-SBXXTUSSSA-N	486.306	5.582	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1	58846031	LVBYJARXZUXUJW-LZCXECNNSA-N	460.555	5.351	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1OC	58846361	LMROICLCQQTUCC-ISCCLHIJSA-N	490.625	5.948	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2	58849110	AWJIAPAJXXUQNK-OREGWCPLSA-N	476.598	5.721	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc(Br)c1OCC	59861532	VRZYLGRPPPALHC-MHWRWJLKSA-N	487.350	5.370	10	40	JKCB	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)cc1	100499936	OVWVPIOHDHHHGH-DQSJHHFOSA-N	464.591	6.165	10	40	JKCB	
c1ccc(-c2nc(/N=N/c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)[nH]c2-c2ccccc2)cc1	104067703	QXLSJYLIVVIWCQ-ULDVOPSXSA-N	466.548	8.216	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(N4CCCC4)c4ccccc34)C2=O)o1	107838182	STMPCRHLUCNYOT-HYARGMPZSA-N	462.527	5.056	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc21	208442637	VQROWHKABAJHQF-XKZIYDEJSA-N	461.587	5.302	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	222971195	HCFQCHKGGVKHIR-DNQXCXABSA-N	479.606	5.179	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1C	224606664	KGQZORNFYOWPQX-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1-c1ccccc1	225621909	SROKGIZLOALRQS-SXOMAYOGSA-N	499.615	5.321	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260565501	IVGJNCPGCHUCRV-FEMWLQECSA-N	461.631	5.111	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N/c3cccc(Cl)c3)ccc2O)C(=O)N1c1cccc(Cl)c1	408725085	CSFDSLKKROWEOB-PYRRDVQNSA-N	470.337	7.355	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc2ccccc2c1	408737295	BIINJTGDDVRARZ-XQNSMLJCSA-N	452.351	7.074	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1	408778666	VZFAJHCNJIQVFB-LGUFXXKBSA-N	491.547	5.518	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2cccc(Cl)c2)c1	408808551	QEGPECPPOSOISA-SRZZPIQSSA-N	497.334	5.247	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1cccc(Br)c1	408842149	MPPNXPKDXITMTE-DEDYPNTBSA-N	451.295	5.431	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Br)c3C)C2=O)cc1C	408849181	VMUNIGRIFCNHAJ-DEDYPNTBSA-N	492.373	5.140	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1	408876259	KKSVHAXLTDARSV-PCLIKHOPSA-N	468.553	5.268	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)c1C	408882091	PNIYFOQKFWTKEI-UDWIEESQSA-N	462.908	5.353	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)c1C	408891765	UYZQZBLCNBMKGK-DEDYPNTBSA-N	478.907	5.341	10	40	JKCB	
O=C(COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O)Nc1ccc(F)cc1	408902490	OMFINWXOULVVKE-KGENOOAVSA-N	464.543	5.249	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Oc4ccc(OC)cc4)cc3)C2=O)cc1	408984489	HRDLKRSWTDTHSM-NJNXFGOHSA-N	489.571	7.358	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC(C)C)C2=O)cc1Cl	409056901	NJAQSEKUJAEACB-FRKPEAEDSA-N	481.763	5.656	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409061543	FGJOTVSGEUQUSF-XYGWBWBKSA-N	484.596	5.592	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	409352171	WQGZCFGCMLQZPE-CAOOACKPSA-N	484.824	5.916	10	40	JKCB	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCC(=O)N(Cc1ccccc1)c1ccccc1	8820476	ZCYZGOQQXYABMC-PTWKWRTFSA-N	484.646	6.068	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N=C2S1	9067579	YFNGADJCECJXHI-JPODZFEASA-N	496.423	6.416	10	40	JKCB	
COc1ccc(OCCOc2ccc(C)cc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	9805333	DHWWXIXSKOMERF-HAHDFKILSA-N	481.595	5.456	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)C=C2c2ccccc2)c1	9934639	BCULZDBQWICTIA-UYRXBGFRSA-N	462.343	5.938	10	40	JKCB	
COc1ccc(N2CCN(c3c(S(=O)(=O)c4ccc(Cl)cc4)cnc4ccccc34)CC2)cc1	9969395	AYJNZGLUGUYJKL-UHFFFAOYSA-N	494.016	5.056	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1	13074868	HBTLACYQTVCBGB-IAFWPLRWSA-N	494.550	5.060	10	40	JKCB	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)n1-c1ccccc1	13526558	LWURFRZTUJYRMF-LJQANCHMSA-N	492.531	5.054	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCOc3ccc(C4CCCCC4)cc3)c(OC)c2)SC1=S	13894515	GPADMTQMLRGIED-BWAHOGKJSA-N	497.682	6.422	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(I)c1OC(C)C	13914393	TUTJEHXRHSYESC-WOJGMQOQSA-N	490.341	5.283	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Br)ccc1O	14406665	INCCDVAYJOJDKZ-BOPFTXTBSA-N	462.727	5.075	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	34259818	CUKCFFRKRZHTTJ-JJYAYZJSSA-N	477.609	6.213	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1	58846993	REHNOGJKJBJUDB-WZOHSFFVSA-N	450.535	5.462	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2cccc(Br)c2)C(=O)N=C1O	59198326	SKZGGGWMHAGJJV-UYRXBGFRSA-N	465.303	5.508	10	40	JKCB	
COc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1	100525190	YNSXSLOOOBADLJ-IUBFCHALSA-N	470.352	5.456	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1	113836826	XLZHSFRDSMDZMH-LDADJPATSA-N	454.554	6.053	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C	208324939	NQHYQQXFPLUYBW-QHSFOXILSA-N	491.657	6.091	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc2C(C)=CC1(C)C	208523169	YJXMMMNGDIGAGQ-QRVIBDJDSA-N	466.050	7.061	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1	208729569	DNCNIALWUFLKQM-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	223559523	YIJUSQDIQCRPHT-MMTNMYCKSA-N	459.590	5.416	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1O	224015137	NFFDNTNVHZVSEN-CLJLJLNGSA-N	484.581	5.101	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2	224403795	LHNGYHBAMHRDGA-UIOOFZCWSA-N	486.572	5.534	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224534136	GYVWDSZDJCGETD-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1	224603423	NTTPWHCAEVNNRD-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607089	YGHJRDBGVYTGHT-VPUSJEBWSA-N	468.626	5.989	10	40	JKCB	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408643138	OWFMSXYMNSEKKE-OFNKIYASSA-N	450.538	6.180	10	40	JKCB	
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(Cl)ccc(Cl)c4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736144	HYPLCONPOZWUIW-NMMYMHLASA-N	467.352	7.307	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3I)C2=O)cc1	408739685	ZKFKGWZJYQPEAX-XDJHFCHBSA-N	479.317	5.771	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@H](C)C(=O)OCC)C3=O)c2C)cc1	409010773	LDLUDQNOXDYGOW-GNFOSXPUSA-N	454.592	5.425	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1Cl	409074876	NNRIQGHHUQDYHD-ZVHZXABRSA-N	473.935	5.883	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409199280	BZDGNMWUGHOOCH-MOSHPQCFSA-N	479.539	5.587	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1	409236954	IMDJIFFFPZVWGW-DEDYPNTBSA-N	483.014	6.039	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S)c1ccc(Cl)cc1	409329487	GLMJHYPGWRMHCS-FYJGNVAPSA-N	498.988	5.604	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409341009	BXKPQRASOJAOTP-RGVLZGJSSA-N	476.907	7.007	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)c1	409346938	PBPQDJYVQVLEDT-XQNSMLJCSA-N	479.648	6.272	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2)sc2c1CCC2	920883	GNTJVNGYITUIFJ-UHFFFAOYSA-N	472.994	5.780	10	40	JKCB	
CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4nc5ccccc5s4)c(=O)oc23)C1	2667128	RIUQYEWZDJLFRW-SOKVYYICSA-N	460.599	6.176	10	40	JKCB	
O=S(=O)(O)c1ccc(/N=N/c2c(NNc3ccccc3)ccc3cc(S(=O)(=O)O)ccc23)cc1	4265574	LHBDRLVLTXZKEH-SHHOIMCASA-N	498.542	5.188	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	8821290	MIRHTZUSBSIFOO-JLPGSUDCSA-N	496.053	6.372	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	8821534	YKTNIHXNSIFTQD-GFHWABCWSA-N	480.951	5.209	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S	8821542	RWKRSIBWKWKZFH-FYJGNVAPSA-N	450.541	6.131	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9009475	YGHHAFOYBFPGEP-DSITVLBTSA-N	498.922	5.271	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	9113767	SNYIXOMUCFDRNF-IYYHIDBJSA-N	469.614	6.197	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21	9293604	DVWSSKABWQUDNR-CCDWMCETSA-N	480.539	5.269	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	9307492	HSJVAWIELDZGRL-QCXNYLOCSA-N	487.551	6.312	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)cc1	9311258	PZYAJQMQTSIWEA-ZJRVSBDTSA-N	497.502	5.210	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2)cc1	20288937	WGVWNWAJRXEBOV-JCMHNJIXSA-N	462.893	5.394	10	40	JKCB	
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCC2	20549815	COLJMMIPQWNMNM-OSZJIOELSA-N	489.678	6.218	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	41082913	INPCCDGTNUGGOP-XGCFFSCVSA-N	459.550	5.638	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)cc1	58845932	MLRBFFFDALITAT-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1	58846764	VPGSRZZHLKNDPQ-XXAUWVGASA-N	479.045	7.091	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)c1	58848963	YATHTDWFKQIHKH-VKIDHGPPSA-N	492.597	5.340	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484761	QHEHOWWCGRMUBX-ZXVVBBHZSA-N	474.560	6.855	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(C)c(Br)c4)C3=O)n2)cc1	100524993	BUXVVRRLOJONDG-ZFZZVZNFSA-N	484.379	5.765	10	40	JKCB	
S=C(/N=N\c1ccc(/N=N\c2ccccc2)cc1)NNc1ccc(/N=N/c2ccccc2)cc1	104380856	BHAPHPAFDMFFDH-NEJHCTLOSA-N	464.558	8.503	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc2ccccc12	208729669	PRQZYAKXXZTWEE-XKZIYDEJSA-N	492.965	7.067	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(F)cc1	223384155	DDLVABGFZHGEKG-IZZNHLLZSA-N	456.590	5.801	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223750859	WPPBUDJRFIOFDR-LOSJGSFVSA-N	455.587	5.070	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223859723	ZIEWTVKVYMNPOZ-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(=O)O)c1	223860299	LWFJHKURSNVXKH-RPBOFIJWSA-N	484.581	5.070	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223863355	LLUMTUATTPOJLQ-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224164467	ZPUJSTNHAOFURY-KAYWLYCHSA-N	452.627	6.229	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	224333828	JVCXJPZVQFXGID-SXOMAYOGSA-N	452.627	6.229	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)c1	408775126	OHAYTODNCIKHBN-PCLIKHOPSA-N	463.537	5.281	10	40	JKCB	
Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)S1	408801700	VGBZPBDNAWNQRN-UHFFFAOYSA-N	473.021	6.972	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C	408899758	QFMQTJOWWPATFI-BUVRLJJBSA-N	455.558	5.248	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	408902616	OUTHIABHRLUOLF-PXLXIMEGSA-N	460.580	5.418	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl	408902939	SMDRYONEVZKVLN-MHWRWJLKSA-N	468.383	5.341	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408944728	UVLSQXRDMMYTEW-ZTKZIYFRSA-N	496.566	7.014	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	409328749	APFGERBAEPUCJN-YBEGLDIGSA-N	454.798	5.907	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O	409345337	LIKZCYUFWSNWNC-YVLHZVERSA-N	452.370	5.783	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1c1ccc(Br)c(Cl)c1	409348930	UBNABVPGZCQDQV-LHHJGKSTSA-N	479.635	6.815	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1OC	409372890	POSWIIPDBNPXME-RQZCQDPDSA-N	498.413	5.339	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)Nc1ccccc1	8444327	BPZIBTWATARKFV-ZHZULCJRSA-N	475.932	5.172	10	40	JKCB	
CCCCc1ccc(NCN2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1	8872130	KAULEWWLSXUQPY-HAVVHWLPSA-N	453.677	6.146	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c3ccccc32)cc1	9553964	RWGVFTPNHOWFKH-CQEFFZBYSA-N	489.604	5.974	10	40	JKCB	
COc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	12032408	NBVKNRUKHAJSOX-QGOAFFKASA-N	491.432	5.078	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O	14133095	KMRRNWKTLVGUOK-QGOAFFKASA-N	481.335	5.547	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc4ccccc34)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	33920715	DPJHHRRIUWHMFL-HZHRSRAPSA-N	469.541	6.058	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	41108501	HYCITBLRVAKMKM-WTPQPOPRSA-N	488.016	5.918	10	40	JKCB	
COC(=O)CN1[C@@H](c2ccc(N(C)C)cc2)Nc2ccc(Br)cc2[C@@H]1c1ccccc1	49591199	YIHXJVDDCSMCDC-DQEYMECFSA-N	480.406	5.204	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	58847152	ZSACGQLVAPBYBV-GLDPYIMESA-N	488.506	6.472	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850139	YKHFLGCOFNKKOC-RHGYRFJNSA-N	454.954	6.106	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)c(OC)c3)C(=O)O2)cc1	83260583	BCXINACYNDGGTO-YBFXNURJSA-N	483.347	6.571	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232727	HOMISWHFSZPLIA-RPBOFIJWSA-N	498.096	5.075	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(F)c1	223496099	XOSRYZQRGUKWJJ-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223903206	HYLXEARUBWIKTO-SVBPBHIXSA-N	482.657	5.436	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224241327	HDPWTBKOSBWHKL-DQEYMECFSA-N	453.615	5.678	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224431501	PNJOKMUKKLVAFN-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609776	COUUIPIXYPYIKA-DNQXCXABSA-N	455.587	5.075	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C	225503436	XQSRMPPAGZXBHV-WUFINQPMSA-N	495.652	5.409	10	40	JKCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2nc(-c3ccccc3)cs2)SC1=S	256055478	IEXJQTUCDZNQPE-QIYXJHPLSA-N	495.651	5.098	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1C	260573443	YREBZOAFDKVICW-LSCMLXDISA-N	489.685	5.944	10	40	JKCB	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408643139	OWFMSXYMNSEKKE-REWPJTCUSA-N	450.538	6.180	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1	408759645	IPJRIYXGBFJNOP-BUVRLJJBSA-N	457.599	5.105	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	408778988	OJHOBILUWFLWIG-QQXSKIMKSA-N	484.596	5.592	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	408818469	YATCDMBIOPEOGB-VXLYETTFSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)cc1Cl	408877600	WAKNVXCEMIVMBY-PCLIKHOPSA-N	498.941	6.198	10	40	JKCB	
O=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc(N2C(=O)C=CC2=O)cc1	408978119	YDZYSFYDEPIRIW-UHFFFAOYSA-N	495.494	5.738	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	409016398	IGKWOIWHFOHSHA-NVNXTCNLSA-N	452.721	5.533	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O	409060394	ZNFGLAFAQNENOR-OVCLIPMQSA-N	467.736	5.410	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1	409235017	APDFFSNUBIOBHH-MTJSOVHGSA-N	463.990	5.196	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1C1CCCCC1	409339904	ZQJKLZSNZZNPIA-STZFKDTASA-N	454.573	5.708	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409367018	ADKJQEDNVDIKAM-QQXSKIMKSA-N	467.521	5.345	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@@H]32)cc2c(-c3ccccc3)cc(=O)oc12	1614467840	INEPBNWDIOGOER-NOLDIYDXSA-N	496.651	5.869	10	40	JKCB	biogenic
COc1ccccc1-n1c(C)cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)c3ccccc32)c1C	3354991	ZEWDZLFFLFXQOU-ITYLOYPMSA-N	462.549	6.139	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(C)c1	8819991	YAFPJKDFFGHLEU-HMAPJEAMSA-N	496.654	5.741	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	13942912	USAITGWSRYTCPC-JCMHNJIXSA-N	481.620	5.164	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)c1	27520654	KJNBJKBSGQAEOZ-UNOMPAQXSA-N	465.303	5.833	10	40	JKCB	
O=C1/C(=C\c2nc(-c3ccccc3)nn2-c2ccccc2)SC(=S)N1Cc1ccccc1	27562182	YYCDYCKWTUWRNN-LTGZKZEYSA-N	454.580	5.336	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	35039192	ZCCOYWAHZAKQLP-BUVRLJJBSA-N	459.592	6.182	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	58845708	XCJICSMWVLGNAQ-BPYKYCOYSA-N	495.442	6.385	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)c1	58845895	ZRTSQBILZHVGDC-DFIYOIEZSA-N	460.555	5.321	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1	58849355	OQLAZNPTYYJJFN-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
N=C1/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	80348249	HAHZRTXSZMVINZ-PQMXRDJESA-N	451.379	5.679	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222968501	MCELQAWAKJGLTD-DHIUTWEWSA-N	473.473	6.569	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	223765190	STXSIQYWCKNCMP-YTMVLYRLSA-N	496.680	6.600	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223863919	KYWNCCDCCNGWQR-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224202881	HGHDVHIXATVAJJ-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1O	224368781	HZFWMMLVANQLQK-VSGBNLITSA-N	482.653	6.495	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	224571289	GFHJFEQGLYZQHK-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc(C(C)(C)C)c1O	408526401	BCILWKLKEUXATF-JAIQZWGSSA-N	469.628	6.122	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cn1	408737475	BDQYFPMBXALCDD-HMMYKYKNSA-N	465.465	5.730	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)cc1	408740796	IDKKUWZYHXGAAF-BOPFTXTBSA-N	457.338	5.393	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)cc1	408752257	CPIYEMGOJKKREH-RCCKNPSSSA-N	486.980	6.484	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408759502	GFMLKGWJVDBCCX-CJLVFECKSA-N	488.996	6.797	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408762190	NOBGCIXYYSQECB-FYJGNVAPSA-N	481.321	5.440	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)c1	408785331	WKDLONKXAAWTEG-RGVLZGJSSA-N	482.367	5.684	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408868011	KZUUTDCOAMMSPM-FYJGNVAPSA-N	478.907	5.135	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc3ccccc23)C1=O	409343519	HEUIVMFLSIOMKO-NLRVBDNBSA-N	469.631	7.578	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1Cl	409350230	RBKTWIOTKFVPIX-UDWIEESQSA-N	485.974	5.512	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	4091846	WALRFKXSRHEOTG-WSDLNYQXSA-N	473.891	5.149	10	40	JKCB	
O=C1c2ccccc2C(=O)C12[C@H](c1ccccc1)C(/C=C/c1ccccc1)=NN2c1ccccc1	8438140	QLZXQCIDILRCQO-WBLMUGCASA-N	454.529	6.178	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(Cl)c(C)c4)c(OC)c3)C(=O)N=C2S1	8494795	LBDHWWHVMNNQFP-HACRSSKKSA-N	498.992	5.144	10	40	JKCB	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc([C@@H](O)CCn4cccc4)cc3)c2c1	8628865	PVZTUHTXZVLZBY-SANMLTNESA-N	457.961	6.719	10	40	JKCB	
CN(C)c1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	8666353	NQIJMZSOWUXEOX-RUZDIDTESA-N	497.511	5.784	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1	8743525	RNHQPRAKAFZETP-XQNSMLJCSA-N	475.520	5.645	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	9136095	IPJLKCVIONTONL-GCOJUMRASA-N	498.718	5.267	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(Cl)c5)c4C)C(=O)N=C3S2)c1	9210989	XXLCEJOZTNAURI-AXZYZTBISA-N	473.989	5.723	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccc(F)c(Cl)c1	9232445	FYMUDAIXRVSKKN-SRZZPIQSSA-N	473.953	6.603	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc2ccccc12	83293643	MSNRRBDPKPONLA-HMAPJEAMSA-N	484.042	6.692	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1cccc(Cl)c1	113833691	PMYWLEZDYBHANF-MFKUBSTISA-N	488.033	7.478	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223767549	DNIZJZRQFIRXGB-UIOOFZCWSA-N	469.614	5.378	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224300108	IEHWLSXMQVNUCI-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)nc1	224470839	RTBYPJBAZVETTF-LOSJGSFVSA-N	474.033	6.023	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(Br)cc1	408634090	OVUYPSZHVAVKMK-NDENLUEZSA-N	468.376	5.951	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)c1	408742230	VLNHFAMMJTZQJU-ATVHPVEESA-N	487.364	5.483	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1	408755568	OOFUQRZTHPNQRR-MOSHPQCFSA-N	460.917	6.345	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	408818468	WXTHFAZUTNLARU-LFVJCYFKSA-N	478.504	5.094	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1	408882323	MLNPBZZDRNAQJM-SWYRRKHMSA-N	494.404	7.311	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1	408937208	NEQLLLWJHYIINY-HMAPJEAMSA-N	491.341	5.003	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1	408987810	YMYHVVDPQCJZJM-RELWKKBWSA-N	458.001	7.508	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)cc1	408991832	REIUWWYYLZCRID-QNGOZBTKSA-N	460.917	5.148	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N(c2ccccc2)C1=S	409014785	JQAYTYPAHVWMPT-XIEYBQDHSA-N	479.605	5.643	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1Br	409015872	CDCREVJVIVYJKT-CLXYIWAZSA-N	487.419	5.075	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1	409142766	BVBCJWZVZFRYAS-JOCHJYFZSA-N	489.996	6.169	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)c1	409180913	URLCHLGBLUEPCC-OEAKJJBVSA-N	459.571	5.386	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409201265	KYSBLGWXHVJJAL-FYJGNVAPSA-N	493.566	5.582	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OC(C)C	409234733	XUVYEXYTIQBDSA-VCHYOVAHSA-N	472.994	5.091	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409327293	IXEXKMFGQFWOQN-ZDLGFXPLSA-N	487.902	5.822	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)c1	409331247	MZJDPUPERZYYQK-MTJSOVHGSA-N	482.608	6.599	10	40	JKCB	
CN(CCc1ccccc1)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1	643576651	ZKURFIVCXYRASX-UHFFFAOYSA-N	456.634	5.461	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	1805121	MDUCNVKALUCHHB-BOPFTXTBSA-N	470.399	6.100	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(Cl)c(C)c3)C2=O)cc1	2259754	JLBFSEOYVLWHAJ-CJLVFECKSA-N	477.948	5.598	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c(C)c1	8407886	QGTHMOZCZYGSPL-AHXGQMSJSA-N	485.613	5.612	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	8442651	RPQFBESSZOJUTR-JVYGEBFASA-N	487.599	6.546	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	9159677	BVZWMJBYQPOSKM-DBQMFKLFSA-N	468.026	6.255	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	9291673	NEAPITDNWGQONI-KOXZJICBSA-N	489.645	6.082	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)o2)c1	9849586	XRQOROWWOMCIAW-WQRHYEAKSA-N	486.368	5.813	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	12629135	ZSAMCPIAYJRHIA-HMAPJEAMSA-N	486.014	6.101	10	40	JKCB	
CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	13025239	JQXNNTWIWZDSQM-AREMUKBSSA-N	475.589	5.191	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	15932694	VEPDIDYFRAJPLN-VCHYOVAHSA-N	472.303	5.206	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N1c1ccc(Cl)cc1	20210193	HSHZYQGRSBSHLV-YBEGLDIGSA-N	471.256	5.199	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c(OC)c1	35040041	OTBUKKBXJQBNGS-MTJSOVHGSA-N	482.539	5.586	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccccc1	59135722	JZSHKOUBOMYAIF-QGOAFFKASA-N	462.502	5.085	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cccc(Cl)c1C	100524915	HIZXQWBCGCCQIG-FTGFMQHASA-N	454.899	5.555	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)C1=O	223514869	XQZWVBPVGAJANV-HZHRSRAPSA-N	471.601	5.634	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223559952	RVUCYJTUMXTPDP-NIZGNDASSA-N	477.630	5.027	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223796748	KPPIWUXMEYODPT-KAYWLYCHSA-N	486.616	6.204	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224303175	HQAJCKXWXJHACX-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224306031	VKSVALJLNXYOGD-PQHLKRTFSA-N	494.708	7.208	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)O)c1C	224569077	CXFLTJGREHQAAU-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccccc1	408578181	WMZPYTVLVZUQPY-QJOMJCCJSA-N	474.607	5.148	10	40	JKCB	
CCOc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	408736169	JHSYOOWFEJBTCD-VHSZZVNMSA-N	475.972	6.842	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)c1	408769709	ZWCGKVPBACSVAR-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	408808225	FOUDRPMYYGWBJF-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(C(F)(F)F)=NN1c1ccccc1	408973391	YUGCITJCPWQQRF-NDENLUEZSA-N	491.296	6.921	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O	409253554	ZPGQEAMAZWPUEF-MRSJDWDVSA-N	472.610	5.972	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	409328919	AKGHPFYYKSXEKU-YBEGLDIGSA-N	484.824	5.916	10	40	JKCB	
Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)c1	8821868	RNTNUOIHYMHSIW-VXLYETTFSA-N	455.879	5.605	10	40	JKCB	
COc1ccc(-c2c(C)oc3c(CN4CCCCC4)c(O)c(CN4CCCCC4)c(O)c3c2=O)cc1	9012308	CCWYZKOYIDMPNO-UHFFFAOYSA-N	492.616	5.160	10	40	JKCB	biogenic
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc4ccccc34)C2=O)cc1Br	9262128	ZQEGHNCHERFCFM-JWGURIENSA-N	482.377	7.082	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	9303377	MKQAGQXNZRLPML-JZSRTLTASA-N	490.928	5.014	10	40	JKCB	
COc1cccc([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	9308286	VCOGBTMTISMTDJ-GSDHBNRESA-N	483.951	5.371	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccco1	9330711	BBWFGJYVSWOBCF-HBBMIWKISA-N	465.552	5.470	10	40	JKCB	
Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1	12647982	XPBWKRWIKIRGCH-UHFFFAOYSA-N	486.616	5.334	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC	13915330	PPASGXONGFHUEK-GIJQJNRQSA-N	498.851	6.306	10	40	JKCB	
Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	15922458	XPBWURPOHQGIJK-OZXSUGGESA-N	495.793	7.748	10	40	JKCB	
O=C1/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	32124583	LROARGHWKPNWJX-LZYBPNLTSA-N	487.411	5.392	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(Br)cc3)N4)sc2c1	58851160	SBPTVICTAVFFRI-RNHFSVANSA-N	473.439	7.861	10	40	JKCB	
C/C(NC[C@@H]1CCCO1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1	101649408	YKPZMMYHZBGUMG-HINJULBWSA-N	499.061	5.487	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)S2)cc1	108161581	JTDXLDKBMDLCAQ-QRVIBDJDSA-N	492.000	6.057	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223382649	YGKVTPATIMWZTH-RRPNLBNLSA-N	452.627	5.970	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224238528	XHBHZPIWQQBMMK-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c(OC)c1	224804278	NFRXYXWYJFGWMX-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)n1-c1ccccc1	225358535	QZNKMIOHPHPLKI-RRPNLBNLSA-N	468.626	6.145	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(OCC)cc3)C2=O)cc1	408758014	FRIZFBZHFJBMAT-JJIBRWJFSA-N	491.385	6.081	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)c1	408801165	RWUJITNWYVQQHV-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)c1	408806366	MUCNAKNHXHZBCW-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1	408846051	XIHUGQNMIPUVIA-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1OC	408975526	MLXAFTBXKBOQDQ-UHFFFAOYSA-N	460.489	6.326	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)c1	409010781	LGSJOMPIAOSZFL-XDHOZWIPSA-N	485.055	6.001	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409039437	RAGAHHPEWGVDKH-JYRVWZFOSA-N	463.318	5.356	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1ccccc1	409107872	XIUFXWWOEUTBSS-OEAKJJBVSA-N	491.590	5.768	10	40	JKCB	
CCN1C(=O)[C@H](Cc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S	409161192	KRSBZYKTUZAKTI-INIZCTEOSA-N	460.835	6.017	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(Br)c1O	409330659	LPMOJWMPNDIVAY-MHWRWJLKSA-N	450.379	5.268	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1	409342885	FRSGVFLCICTFDP-YVLHZVERSA-N	457.939	5.776	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1cccc(F)c1	409349043	UIDWQJZFEVIETL-YVLHZVERSA-N	450.343	6.798	10	40	JKCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12	6147927	DQHDGEURVWNDAG-CQSZACIVSA-N	465.899	6.602	10	40	JKCB	
O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1)C(/C=C/c1ccccc1)=NN2c1ccccc1	8438142	QLZXQCIDILRCQO-NMUBOVIUSA-N	454.529	6.178	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(Sc5ccc(Cl)cc5)o4)C(=O)N=C3S2)cc1	8493186	QSIOEZVKQRSHTL-QDLOHUEYSA-N	478.986	6.060	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	8821291	LPEVEZGYFFBICE-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1	8857617	JFOKJXIZHUWTAZ-QNGOZBTKSA-N	455.601	5.420	10	40	JKCB	
O=C(c1cccs1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9307703	SWXWNVVEFFFFBP-KKUQBAQOSA-N	488.568	5.459	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1	12559611	FHHAQDJZQHFQBT-VWLOTQADSA-N	454.599	6.065	10	40	JKCB	
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)c1	13069716	WLBNOSLDWHLRPN-QGOAFFKASA-N	498.945	5.995	10	40	JKCB	
C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc23)C[C@@H](C)O1	13563194	AENRHFJPARHXSA-BETUJISGSA-N	467.871	5.447	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	13632960	SUGFACQHZYBSJZ-ONBPZOJHSA-N	462.505	6.794	10	40	JKCB	
COc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O	33332558	CCSZIMSVLBVOPO-HKWRFOASSA-N	487.943	5.418	10	40	JKCB	
CCCCCOc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	33633232	VKLHJIKSEBFKGC-NCELDCMTSA-N	455.514	5.998	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	33743336	AGXNEWJWMNUNGD-PAMLCIOASA-N	469.570	5.101	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1	59198151	PPHBPUGCSPOYSM-WOJGMQOQSA-N	496.273	5.432	10	40	JKCB	
Nc1nc(N)c(/N=N/c2ccccc2)cc1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104090911	WRLDGNLIKXZOFS-SWGBCSPSSA-N	473.522	5.273	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21	208218559	CFKOCZQEAZINQG-RANIVTSPSA-N	467.566	5.223	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224299173	YDYKDEWJQCEKQP-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019405	LQQSQYVBZMKJST-JWQCQUIFSA-N	465.066	6.366	10	40	JKCB	
Nc1c(N=Nc2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)cc(S(=O)(=O)O)c2ccccc12	245240738	SEKGXFZFHGAXJW-OFELVQTRSA-N	469.526	6.131	10	40	JKCB	
C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408734774	DLMVXORINQWWDL-SFHVURJKSA-N	454.533	7.073	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C=C(c4ccc(Br)cc4)OC3=O)o2)c(Br)c1	408743780	VDYICYCKNLGMGO-PTNGSMBKSA-N	486.159	6.761	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Cl)cc1	408759516	GJAJWMCMKKHYNE-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408879193	BEFPUGXHJMUTAJ-NDENLUEZSA-N	492.984	5.067	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408882901	PJBUWKVGFCJFJZ-RNHFSVANSA-N	496.832	7.517	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409058600	TWONPJYOWYEGGC-UCQKPKSFSA-N	494.513	6.299	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1	409146897	UHWNFJWNWOITON-MVUTXWCHSA-N	478.639	5.491	10	40	JKCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1	409191191	DCVHNNWVIWRSHR-LPYMAVHISA-N	480.973	6.083	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	8920871	CQFPCSCNSZUBJN-IQGLISFBSA-N	495.088	7.668	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	9293685	FCOSCRUPAVJMAD-ZHIXYLIPSA-N	482.053	6.646	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c(Br)c1	9296566	JCNQDERTUAJWHJ-NDENLUEZSA-N	470.413	6.419	10	40	JKCB	
CN(C)c1ccc(-c2nc3cc(Cl)ccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	12562809	XGIOVFNECBPHGE-UHFFFAOYSA-N	476.064	7.713	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C2=O)cc1	13810004	BMZBYVVKPRQARW-YVLHZVERSA-N	484.952	5.897	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1	20288137	VXGGMPRGQIKDER-ITYLOYPMSA-N	484.987	5.687	10	40	JKCB	
COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccc(Cl)cc3)CC2)cc1	23181615	DXIFPKQYJNOTNU-MHECFPHRSA-N	470.038	5.092	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC=C(c3ccc(F)cc3)N12	41083615	OSKMCQKGGGVALX-BTGMWCQSSA-N	459.458	5.088	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1C1CCCCC1	59109518	MHRLUNUUYXWOQB-YZSQISJMSA-N	477.564	6.478	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)c1	59137194	RLHRMVBZEZPPNL-LPYMAVHISA-N	463.534	5.304	10	40	JKCB	
CCN(CC)Cc1cc(/N=N\c2ccc(-c3ccc(N)c(OC)c3)cc2OC)c2ccccc2c1O	104201552	VCVGFQHHBLCJJT-MVJHLKBCSA-N	484.600	7.069	10	40	JKCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	112299352	NNSUGRGBTZKQDO-HAHDFKILSA-N	462.893	6.149	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	223726608	HHYRYWBZUIKNIH-RSXGOPAZSA-N	476.646	5.032	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223982120	MXNLJWLCAAIOQQ-SXOMAYOGSA-N	496.640	5.328	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224236464	UECLVPHKZASDJJ-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224238907	PAZBGOMTTSRGLI-XCZPVHLTSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1	224402193	CYHLMMMZGJABEC-SXOMAYOGSA-N	485.632	5.871	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1F	224899508	SHPGNDDVEQMOHY-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224904365	KJIQFRIGZYYUPM-PXJZQJOASA-N	498.671	6.985	10	40	JKCB	
CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl	260739766	OUXOIUCRJXTYPK-DLBZAZTESA-N	460.043	5.801	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21	260851107	FEQONRREEPCFAS-NSOVKSMOSA-N	498.696	6.678	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)c1	408740815	MWYJXAPXFFTUIX-DEDYPNTBSA-N	491.341	5.003	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1	408758665	OTWWPJILARCHKB-HYARGMPZSA-N	465.322	5.821	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@@H]4C)C3=O)c2C)c1C	408806941	CEZBKTKKVRITGH-JLVCQDCBSA-N	498.716	7.765	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	408806994	NWABSPYSACGKQS-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1Cl	408814619	PVBPLEKWHXRJOL-QGOAFFKASA-N	484.339	6.313	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(Cl)cc2)c1	408842343	KMLAHTGDGIZLNS-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C	408848797	ULAVIIZCJJAIQI-SFQUDFHCSA-N	484.408	5.541	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OCCC)ccc4ccccc34)C2=O)cc1	408894263	BXAOJVZSWUODDF-MOHJPFBDSA-N	472.541	5.474	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1	408936010	FKQAXWJQCKPVMM-HYARGMPZSA-N	474.944	5.760	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCc2c(C)cc(C)cc2C)=N1	408988162	HHFVGJXGEYBVJU-MUUNZHRXSA-N	498.696	6.524	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409061068	URUMZVNFERWARF-WFSKJOQISA-N	454.570	5.836	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409074662	WKGDHNHUPVXJDH-QRVIBDJDSA-N	464.924	5.764	10	40	JKCB	
O=C1C(=Cc2ccc(N3CCCC3)c(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	409088916	LCODUWSCYRYCBE-UHFFFAOYSA-N	455.489	5.009	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCCOc3ccccc3)c2)SC1=S	409206290	TTZMCYWFKWDDPW-CJLVFECKSA-N	450.585	5.100	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409338948	QZIWJSMTQGYJEB-WQRHYEAKSA-N	482.852	6.687	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(OCC)c(O)cc3Br)SC2=S)cc1	409340166	RLTHPOONPLQGBP-ZDLGFXPLSA-N	480.405	5.358	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1ccc(-c2ccccc2)o1	2404861	ZFTCAMNKJKWDFJ-XHPQRKPJSA-N	465.578	5.892	10	40	JKCB	
COc1ccc(OC)c(CNc2sc3c(c2C(=O)Nc2cc(Cl)ccc2OC)CCC3)c1	3066013	GKDMCRKWHDNWHN-UHFFFAOYSA-N	472.994	5.780	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1OC	8819928	SIWOQJADOQUVEQ-KQWNVCNZSA-N	498.670	5.721	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1	8872215	SPDHFUQDPHRWLE-XMHGGMMESA-N	450.763	6.882	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)N=C2S1	9680419	MNOZGEKEUAMNNL-AHXGQMSJSA-N	473.577	6.028	10	40	JKCB	
COC(=O)c1c(C)sc(C(c2ccc(C(C)(C)C)cc2)c2sc(C)c(C(=O)OC)c2O)c1O	12372131	FUIFOFCYPIBCCJ-UHFFFAOYSA-N	488.627	5.889	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccco1	13897866	GOVIKCXDHNPDID-ZHZULCJRSA-N	451.525	5.303	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O	14133138	CATCWCMMFFVTOZ-XQNSMLJCSA-N	496.950	6.047	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	20238643	AXTUPZQCUIYBJQ-MOSHPQCFSA-N	452.513	5.659	10	40	JKCB	
Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1	26786830	ZQGFUXPLNQZWAV-UHFFFAOYSA-N	480.007	5.111	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC(=S)N1C1CCCCC1	26966016	BWCSRIKDMRDVRY-JCMHNJIXSA-N	463.603	6.212	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(F)cc1	59418249	YSEGVFVNPUGEKR-YDZHTSKRSA-N	483.561	6.348	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	208312964	XCQYQQXLTOYUNH-RVZJCZPVSA-N	468.022	5.283	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(Cl)cc1	223226341	TWUNRCCZWRCVIQ-RPWUZVMVSA-N	468.070	5.067	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc2ccccc12	223342052	CANHWWUVMNOJLP-VSGBNLITSA-N	478.621	6.408	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223565695	XEKJZGNAELDFAB-ICODJCHTSA-N	469.050	7.077	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1	223566670	VRYXDVLWBULFBY-QHSFOXILSA-N	491.657	6.171	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223764227	HWHNDSKOZCUJBF-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224221158	GQDJPBZZURTWDN-RRPNLBNLSA-N	496.636	5.761	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224537912	AIJFNSUWUQMQLL-XRKRLSELSA-N	496.680	6.546	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C	224569279	LVYCEIUAIOHBQZ-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)c1	225049438	SBHPYBOZFZPDPU-WUFINQPMSA-N	496.684	5.667	10	40	JKCB	
O=C(CCCC(=O)OCC(=O)Nc1ccccc1)Nc1ccc(Oc2cccc3ccccc23)cc1	408665367	LOSKEQNUTWCOEB-UHFFFAOYSA-N	482.536	5.923	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)c(OC)c1	408758454	KFVISEQGXUFLFK-FYJGNVAPSA-N	481.321	5.440	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O	408879168	BBBMRQJMYAQPII-MOSHPQCFSA-N	495.362	5.801	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1	408885894	GLXVBDHQEGHOFO-WQRHYEAKSA-N	470.369	5.310	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F	408888271	YHCZHTMSEFEBKP-GZTJUZNOSA-N	485.298	5.378	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	408953843	QBCZDUAHIMSDHM-SRZZPIQSSA-N	478.951	5.613	10	40	JKCB	
Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccccc1	408969469	OCHHSGNNRHPXRQ-KQWNVCNZSA-N	459.471	6.347	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408986093	LPNREGUDFADBAO-IWIPYMOSSA-N	459.929	5.796	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccncc1	409329932	IXCINSLVKUOJPE-HZHRSRAPSA-N	477.611	5.141	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)c1	409340003	OKGZUHXJLOXEHI-XKZIYDEJSA-N	462.552	5.888	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1	707055	RXMDIWDRDBITCX-UHFFFAOYSA-N	476.583	5.113	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc23)C1	1871118	KVVYDQNPTWIBKE-ZDUSSCGKSA-N	451.872	6.070	10	40	JKCB	
Nc1ccc(Oc2ccc3nc(-c4ccc(Sc5ccccc5)cc4)c(-c4ccccc4)nc3c2)cc1	2184863	QKOCPZZJOADSGR-UHFFFAOYSA-N	497.623	8.490	10	40	JKCB	
COc1cc(OC)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC	3322854	IZFNNEFCPJKEAG-UHFFFAOYSA-N	492.355	5.466	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1	3768676	OPURDIWSZDWEHK-BUVRLJJBSA-N	488.634	6.035	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1	8433211	AWGVEHQOJNUJEQ-GXHUVWDMSA-N	472.614	5.236	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21	8450590	JACNWKOINRIIED-ICALIKLASA-N	471.586	5.304	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1	8770668	CYQFGDSEQWYTOZ-HIHWOFHQSA-N	487.972	5.290	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1cccc(Cl)c1	8872095	QBEBCJZEFOGHGR-LICLKQGHSA-N	466.798	7.313	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9237100	KAEZJONTHIKCKQ-KWXIBIRDSA-N	471.512	5.596	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc2ccccc12	9260745	SJIFLEBTTRKHMU-MYYYXRDXSA-N	482.967	6.887	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)Cc3cn4ccsc4n3)n2)c(C)n1-c1ccc(F)cc1	9657639	GHMLEYLBFNVYGX-UHFFFAOYSA-N	451.552	5.247	10	40	JKCB	
COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1	9849644	LBZTWSQSZASEFD-HAHDFKILSA-N	481.570	5.698	10	40	JKCB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cc(Br)ccc1O	19326090	GWMRZDCENDKNHO-UHFFFAOYSA-N	497.433	5.579	10	40	JKCB	
C[C@@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc23)C[C@@H](C)O1	19791825	AENRHFJPARHXSA-CHWSQXEVSA-N	467.871	5.447	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1OC	58846677	ZDAZVGAYUBUZOW-XXAUWVGASA-N	490.625	5.948	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C	59136187	DQFUDCRFSJOWRM-WOJGMQOQSA-N	467.953	5.867	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)o1	59198332	AKLCOVDVSWKDGI-WOJGMQOQSA-N	496.273	5.432	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc21	208461547	IXJXCGJTKBOZNZ-CFRMEGHHSA-N	489.641	5.919	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223855502	IFSNRBQDLCVBNG-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224170447	LVTZIGZRZRSKES-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)cc1	224550858	AJGLCZNKLNVLIZ-IZZNHLLZSA-N	470.598	5.375	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(I)cc1	408742998	RDPWPDRPOFGMNT-UKTHLTGXSA-N	453.073	5.035	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1cccc(Cl)c1	408804784	BIYXILXZNLFGSC-KGENOOAVSA-N	490.943	5.293	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1	408814441	PMIKJWAAIQFOQW-UHFFFAOYSA-N	456.950	5.658	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	408852005	PGAYPFWNBOWSRS-QGOAFFKASA-N	497.403	5.712	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408870354	UPIIBCXBVCRXHR-YDZHTSKRSA-N	488.971	5.531	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	408891000	JRTIKOBYVMRBBQ-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1C	408968833	ZQDSRKOKRFKNSQ-XKZIYDEJSA-N	468.384	6.056	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Br)c1	409191341	WENVMXYODKRFPO-RGVLZGJSSA-N	487.806	6.751	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409242540	OICBAUDKDQFQQY-ZMOGYAJESA-N	491.588	6.032	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409244512	DVIVJKPMVDCVBK-DEDYPNTBSA-N	484.499	5.477	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=S	409332778	RTJNSXWASVNWGZ-NHDPSOOVSA-N	489.449	6.815	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)o1	409334083	TUISPXXBNMZYGT-CIAFOILYSA-N	466.540	5.886	10	40	JKCB	
S=C(NCCC1=CCCCC1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	409336669	UULYRBICRWCSSY-UHFFFAOYSA-N	462.622	7.266	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O	409338858	POLTWABHGYJTAS-HMAPJEAMSA-N	470.015	6.696	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	409409684	WKKKZPBEMQUVNA-UQQQWYQISA-N	464.521	5.279	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1	8450592	SLQBXZVPJCBEBE-VKPUNFQASA-N	487.585	5.004	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	8767397	UCPQGSWHTBINQD-MHWRWJLKSA-N	461.688	5.778	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8821434	HSVYIEJBDMIPMN-UDWIEESQSA-N	460.407	7.222	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=O)c1	9731118	PRXLPDFLFBFGAO-LGUFXXKBSA-N	498.579	5.417	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1	9933392	MDZGIWUHIZMGBM-LTGZKZEYSA-N	478.460	6.024	10	40	JKCB	
CC1=C(c2ccccc2)/C(=C(/NC(=O)c2ccccc2)Nc2ccccc2)[n+]2c1n(C)c1ccccc12	26919515	FASXMBIIHFSTBS-UHFFFAOYSA-O	483.595	6.078	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\SC(Nc3ccc(Cl)cc3)=NC2=O)cc1	33850549	IBHYVORKLYBQSB-XKZIYDEJSA-N	469.393	6.963	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1)Nc1nccs1	44086372	DFFKWMUVTDJCAN-UHFFFAOYSA-N	475.426	6.093	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223315403	LAZGFGXSKDSQKL-RIACCQAKSA-N	474.674	5.511	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223538195	ATWDCCXQNHSYAV-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1	408753133	LQWNWOTYCYRCSI-UDWIEESQSA-N	482.721	5.845	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408756464	VJVJKTKQCGZMFU-HAVVHWLPSA-N	464.977	7.542	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Cc1ccccc1Cl	408869700	TVFGBFXQHPGUPJ-RGVLZGJSSA-N	495.362	5.568	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2)ccc2ccccc12	408876646	QTSMLOZIMZNIMQ-ULJHMMPZSA-N	464.546	5.250	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	408902285	MTBAOXIMCDXEHK-LICLKQGHSA-N	450.379	5.262	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)nc3)C2=O)cc1Br	408983285	AJKHLCNULKAZNO-CPNJWEJPSA-N	477.358	5.723	10	40	JKCB	
Clc1ccccc1COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1	408994903	HRDAPWWCCDVCJF-YTZAWJCFSA-N	491.245	8.706	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)C(c2ccccc2)=NN1c1ccccc1	409091739	RRRWIXBAQFPLJR-PLRJNAJWSA-N	464.952	6.754	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2C)cc1	409210717	GKYIKQRTQQFMCD-HAHDFKILSA-N	463.628	5.575	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccccc1F	409213433	VBZJUMBLGBLIDZ-WOJGMQOQSA-N	453.476	5.327	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O)Nc1ccccc1	409326372	BAKCZTBOKVKPEZ-STZFKDTASA-N	464.543	5.249	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	409333576	UQMZVSLWXKPWNI-DEDYPNTBSA-N	485.428	6.181	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1cccc([N+](=O)[O-])c1	6475312	AQWCLNCEJYOJNP-OARDWFSCSA-N	461.521	6.827	10	40	JKCB	
CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	8435245	VAYWOFYVTSXXCF-AIQNWGLSSA-N	476.414	6.520	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(OC)c1	8821486	GVMRVROZXZKYHM-UDWIEESQSA-N	468.512	5.278	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	13122107	JMKITHPFSUADOC-PAMLCIOASA-N	456.571	5.586	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009541	CKNSVNVBRDHEKV-UQQQWYQISA-N	458.533	5.149	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	16000302	ZYIITSFJYWTWLV-VJGNERBWSA-N	481.523	5.247	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=O)cc1Cl	17044452	NSRMGSDRRDWKAO-PTNGSMBKSA-N	457.269	5.769	10	40	JKCB	
CCOC(=O)[C@@H](Cc1ccc(/N=N/N(C)C)cc1)NC(=O)CC1c2ccccc2-c2ccccc21	18098224	IXXIUYXCQGEDEV-YQIGTUNFSA-N	470.573	5.040	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1Cl	39983427	UYFMUDKWSLYGMD-FYJGNVAPSA-N	484.046	6.201	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3cc(Br)c(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1	59425928	BXJSCKCJVHBRLW-UDWIEESQSA-N	493.353	6.027	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OC(=O)c1ccccc1	96193339	QRIRIZDMZQNETH-UNOMPAQXSA-N	490.899	5.072	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc2C(C)=CC1(C)C	208506345	OTXMMQPENUMCQF-XKZIYDEJSA-N	452.023	6.753	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1Cl	223271395	QTZLBMMLJZXULN-PKTZIBPZSA-N	488.488	5.330	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(F)c1	223535595	SHWPSCRREMLVPN-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	224240200	WJQUJPZMKYGANH-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398956	ZFFLQBWPSOJBKJ-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224530899	ODWACGFEHMGCAR-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	224567210	ZAPOBWKYCVJXIA-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1Cl	224974012	DKOKLARPFLDBBL-LOSJGSFVSA-N	475.017	6.020	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408875477	FWPUNGWFFPULKC-YZSQISJMSA-N	480.495	5.245	10	40	JKCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1	408884951	WDYHYJCGPJYONM-PXLXIMEGSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)cc1Cl	408994743	ZZWWRVLYUNSSFO-NDENLUEZSA-N	464.880	5.033	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1	409010878	FZBGIZPSPZXZDJ-RGVLZGJSSA-N	470.754	5.607	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	409035216	PCDTYMOLCXICCE-VCHYOVAHSA-N	499.414	6.330	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1Cl	409231177	ICZHWGZUGIXDSV-WOJGMQOQSA-N	489.906	5.289	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OCC	409326856	FKJKWNNYJOMTTB-YBFXNURJSA-N	468.427	6.587	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)cc1Cl	409328191	PWJVFKVRQQLDGM-SRZZPIQSSA-N	499.013	5.860	10	40	JKCB	
S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1	409332118	GUTAEHHVASMJDH-NRFANRHFSA-N	485.612	7.243	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)SC1=S	409339914	MSEYYWHEPWAVMP-CIAFOILYSA-N	450.541	6.186	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409349142	VBTNYTBSYPDUNS-VIZOYTHASA-N	485.768	5.425	10	40	JKCB	
Cc1ccc(C)n1-c1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(OCc3ccccc3)cc2)c1	992729	QTADDOMIJHEUBV-QFIPXVFZSA-N	453.538	6.101	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1	8819173	MKWRQKXUBXSMEC-WQRHYEAKSA-N	481.426	5.622	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1	8819864	RSTQQMGFEPGTOW-HKWRFOASSA-N	485.587	5.004	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C)cc1	9188606	WVIMIABNMCJSKI-MYYYXRDXSA-N	475.635	6.605	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9293309	YFAQUBVEBMOEIZ-PKTNWEFCSA-N	496.006	6.486	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1	16700762	JFYCRYQJHVQVMX-IMRQLAEWSA-N	462.553	6.053	10	40	JKCB	
CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1	20289113	IVYUMASOCBAUMU-ULJHMMPZSA-N	472.501	5.139	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3nc(-c4ccc5ccccc5c4)cs3)N=C2C)cc1	33247556	WCVGGLPOZVXKRK-XYGWBWBKSA-N	466.610	6.616	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	33793678	LPKJACAGUKEXES-KZVRHOHFSA-N	482.053	6.646	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35848329	CCWBFFAKEAZBOD-NLDZOOGBSA-N	499.541	6.142	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1	58848819	FVWDOCFYYUDWDM-SGIRGMQISA-N	477.542	5.231	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1c1ccc(F)cc1	59135117	LWVBCCVMQDZTAA-PCLIKHOPSA-N	466.468	6.065	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1/N=N/c1c(O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12	100045248	ITHKKUPWEBSLAJ-BYYHNAKLSA-N	460.877	7.083	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422633	UWAUPZHYILKXEY-SSDVNMTOSA-N	478.639	5.297	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCSc2ccc(C)cc2)cc1	112300128	GAGJSHUTFZCRBI-QOMWVZHYSA-N	487.625	5.419	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)c1	214746700	ZYQOFMBHXVBFBL-YDZHTSKRSA-N	499.500	5.733	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(Cl)c1	223460734	RLIRITRVMYMNID-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1Cl	223619811	AGWDQUDTJBTYQT-FCHUYYIVSA-N	475.445	5.151	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223824418	FFNMLPUGQRTAIC-RRPNLBNLSA-N	483.641	5.768	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1	224197382	IVSBMJGAZQDEMO-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224221026	JFIBQJRCNHXPPS-SVBPBHIXSA-N	496.636	5.761	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408740371	BKOUEIHDNFJZPH-LCYFTJDESA-N	462.126	6.997	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc(C)c(C)c2)c1	408807206	GMQHNONHCZZWRI-YDZHTSKRSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)C1=O	408810634	UINGGEMZXJDNSR-BUVRLJJBSA-N	496.950	6.047	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408858893	UHSPTQBPSHGUCV-JJIBRWJFSA-N	455.558	5.400	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cc(C)cc(C)c4)ccc4ccccc34)C2=O)cc1	408869040	QLAATQHBKPNHJP-MTDXEUNCSA-N	474.560	6.022	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1Cl	408891176	MPSBNHYNLAWHEM-VXLYETTFSA-N	499.325	5.686	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(C(=O)OC)c3)C2=O)cc1	408984483	HPWBWAKIIJPIRC-XMHGGMMESA-N	494.374	6.650	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409060785	YBACNTNGHYXQJJ-BKUYFWCQSA-N	478.951	6.072	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCCCCC3)c12	409132840	KFDOJJUIBDTGIA-HMAPJEAMSA-N	483.703	5.464	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	409155656	QSWZDDKRFGGRRJ-LPYMAVHISA-N	495.988	5.431	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccc2ccccc2c1	409248817	RCRDYQPNLCORTK-AFUMVMLFSA-N	499.567	6.061	10	40	JKCB	
O=C1/C(=C/c2cc(Cc3ccccc3Cl)ccc2O)SC(=S)N1Cc1ccccc1	2994854	QYTMWTQNYXXMDS-HMAPJEAMSA-N	452.000	6.038	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O[C@H](C)CC	3769538	DNDBHGMCIGQHDT-AYPRBGQRSA-N	465.999	6.461	10	40	JKCB	
O=C(O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	8819044	UYZTWIOANXYXMZ-IKNVNQONSA-N	477.394	5.372	10	40	JKCB	
CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	8819986	RYJZNUBHNKWMMA-JCMHNJIXSA-N	498.626	5.214	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=S)cc1C	9232341	IOJUELWZBSEJBN-LPYMAVHISA-N	453.032	6.770	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O	9262843	MNCMKXIYAAGVQF-VULFUBBASA-N	490.669	6.245	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc(I)c1	9311246	QTODZLUPDPWUTO-QGOAFFKASA-N	483.736	6.416	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	9427705	HUUAASMPVVZRKT-BXYGHZCVSA-N	498.718	5.267	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1	13659829	XLLCCCIABDHLJY-YLPLVBRQSA-N	491.975	5.400	10	40	JKCB	
CCCN1C(=O)/C(=C2\SC(=S)N(C3CCCCC3)C2=O)c2cc(Br)ccc21	16733277	QIDLLJSBKCEQDI-MSUUIHNZSA-N	465.438	5.110	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2	20037520	RCZPFKCAOIGRTF-WWYAEZQTSA-N	497.960	5.213	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)c1	58848943	SNKTXLJOXGFMNC-LZCXECNNSA-N	462.571	5.331	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc([N+](=O)[O-])c1C	59136277	ZRXUBPIKESXUDR-LFIBNONCSA-N	465.462	5.282	10	40	JKCB	
CCN1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)SC1=S	59170345	CQDSYDSTUDTPJN-RQZCQDPDSA-N	454.400	5.802	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)ccc1OC(=O)c1ccccc1Cl	97990567	KFJATVLKEWLNDT-HYARGMPZSA-N	478.957	5.959	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12	108139471	YGMKFSJLOXAWHQ-JLPGSUDCSA-N	499.364	5.643	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc(Cl)c1	223226069	JZTGXIUWPMQKRU-RPWUZVMVSA-N	468.070	5.067	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21	223494289	LXMURLLQMBKHCT-UCQKPKSFSA-N	475.614	5.772	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224301557	BUTREYHFABYUTJ-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1C	224403062	BDSLQHVOSBGPMN-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	224571409	WZCSIWMMHIEIME-SXOMAYOGSA-N	498.608	5.404	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)ccc1F	224898751	WUXSLBCTVKHMNC-CLJLJLNGSA-N	474.580	6.253	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1	225504662	WUEUHPFVRMTZTD-RRPNLBNLSA-N	499.615	5.239	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1cccc(Cl)c1	408572691	HQQKKZZALODLOP-BKUYFWCQSA-N	480.998	5.763	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	408725507	JKRPFSARUQXLIT-STZFKDTASA-N	492.984	5.149	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c1C	408771773	CPQMYTYMRXUHCJ-FYJGNVAPSA-N	463.990	5.196	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)C1=O	408867051	HZMHOHQMDYBUPJ-ITYLOYPMSA-N	490.559	5.956	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(Cc2ccccc2Cl)c1	408872891	KRULKKZOQOAPMQ-FYJGNVAPSA-N	481.335	5.259	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409056080	DVWHWBKQQJMOCW-UCQKPKSFSA-N	490.987	5.629	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409098343	LAXVNPRBBHQLRF-UDWIEESQSA-N	485.417	5.976	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)SC2=S)c1	409106062	KOPZABHYRPDXFI-CIAFOILYSA-N	492.534	5.278	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1	409204819	LBWTXBQLTHXEJM-ZXVVBBHZSA-N	462.549	6.490	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2cccs2)C1=O	409338145	DVTIPDQIZPLSBF-UYRXBGFRSA-N	454.598	5.236	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	409338837	BXSLUYLTVTXMMM-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)o2)cc1	409342102	BMUUGPSVGNXPSS-KGENOOAVSA-N	481.620	6.251	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OCC	409342570	DOFYVTZELIQOSU-UYRXBGFRSA-N	478.433	6.042	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	1895109	FMMHCRVDJPIDBV-RGEXLXHISA-N	483.640	5.447	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1	2124229	CCTUNVQJKHNCQV-HYARGMPZSA-N	479.554	5.455	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)o2)cc1	2306375	SHCAEYXLJLUHPF-CPNJWEJPSA-N	464.861	5.283	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	8821525	KMRGOKYLEAPRCE-UDWIEESQSA-N	470.959	6.476	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	9291775	OOGAAORYJDXTJR-OAXZUEFOSA-N	488.016	6.032	10	40	JKCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1	9721119	QITYPKWDOZQYNA-JWGURIENSA-N	484.650	6.249	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(C)n1-c1ccc2c(c1)OCO2	13147707	XTJMGJIXSCXKJN-UHFFFAOYSA-N	482.536	5.290	10	40	JKCB	
CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793024	RXWVOHLNXJQMEO-UHFFFAOYSA-N	489.877	6.595	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1	33444915	KMJRCZGVZKEZLO-QRVIBDJDSA-N	479.001	6.888	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)c1C	33882054	OYXNGHOWPCLHLK-CSEHATQYSA-N	497.624	5.663	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(Br)c3)C(=O)N=C2S1	41083670	WSPPZYJBFADJPE-NJOZZACWSA-N	454.349	5.195	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCCCOc3ccc(Cl)cc3)c(OC)c2)SC1=S	41108589	YTXDCUOIBKULJM-UYRXBGFRSA-N	498.453	6.071	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1Br	59139123	MQMRJPXSNOHXFF-SDNWHVSQSA-N	476.371	5.106	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(N(C)C)cc1	101395132	VHJIRBUZPVSVFB-CHJDUVSTSA-N	465.597	6.713	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2C(C)=CC1(C)C	208516937	YTUHJDGDKRSDTQ-KGENOOAVSA-N	459.615	5.157	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cc(Cl)ccc1O	224596969	JGYXPZSWQREFAB-JWQCQUIFSA-N	491.016	5.731	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(=O)O	224605177	BQUXRPKHLNJVRS-RPBOFIJWSA-N	484.581	5.070	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1NC(C)=O	225332476	ITUGHGPYMMGWJM-RRPNLBNLSA-N	497.624	5.325	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1C	408726346	LRVCJWRPILRPME-AORAWDAISA-N	459.596	6.826	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)cc1	408805701	CAVNCMAKLLKMAM-BUVRLJJBSA-N	488.971	5.765	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc2ccccc2c1	408903193	VLIIIRCEQBHRHZ-MFKUBSTISA-N	482.967	6.887	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408903958	BRUIWRQYXLBFQV-LPYMAVHISA-N	489.959	5.481	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	409004986	CQLMYUVFCQBSJU-WQRHYEAKSA-N	468.427	6.192	10	40	JKCB	
O=C(O)c1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2)cc1	409091530	RBNNYJZIISXHOX-DIBXZPPDSA-N	474.516	5.798	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1cccc2ccccc12	409329857	HSDFXZUMGOFKBQ-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409349731	VZYHITQQPUGYNZ-JAIQZWGSSA-N	479.539	5.106	10	40	JKCB	
CSc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(Cl)c(F)cc4s3)C2=O)cc1	1864540	FALLISFTNUJCPP-JAIQZWGSSA-N	479.989	6.645	10	40	JKCB	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)oc2cc(Br)ccc12	8612169	IJVBUGREXJQSCK-UHFFFAOYSA-N	467.363	6.005	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	8818968	OSDUXXDMUOHWCA-FSEGOYHTSA-N	488.439	5.661	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)cc1	9188365	WVWMDSBGTYFBIW-JLPGSUDCSA-N	460.624	6.046	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	9957643	NVQUUMANVAHDMH-VCHYOVAHSA-N	454.400	5.802	10	40	JKCB	
COC(=O)c1cc(NC(=O)c2cc(/N=N/c3ccccc3)c3ccccc3c2O)cc(C(=O)OC)c1	16194018	WNKWLZVITZPSKF-QVIHXGFCSA-N	483.480	5.786	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	35039441	GRZNWOFALCRXCO-KOEQRZSOSA-N	475.635	6.027	10	40	JKCB	
CCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccc(C(C)(C)C)cc1	70453899	ZHOLSUMHWBRNGC-UHFFFAOYSA-N	452.598	7.651	10	40	JKCB	
Cc1cccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)c1	108089594	BKXGCINYUDPTHM-ODLFYWEKSA-N	453.325	5.342	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	113838224	AXHBQUJRTXXQDG-KEBDBYFISA-N	493.868	7.460	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466062	ZTXKAHFEFGVKNW-FTJBHMTQSA-N	488.060	6.019	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223758262	YKWFCQABQNKHQC-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224253539	MFVWTUMRPZKSNG-SVBPBHIXSA-N	496.636	5.761	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1	224354740	JAPQIIJHRUDJFT-UZPCJBMISA-N	473.642	5.695	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C	224566863	ICSBGENMCMEAKS-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1C	408573781	KMAKTKVQGXHATR-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1	408738540	LSEUYJHVVONABK-SFQUDFHCSA-N	471.181	7.227	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)cc1	408763376	NKSKVVGRSPLXFO-CJLVFECKSA-N	472.997	7.096	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1C	408866381	HCTBZVOQPSMXBQ-LPYMAVHISA-N	462.908	5.353	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1	408886044	HHTSMINANGXPOL-KGENOOAVSA-N	494.906	5.123	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)NC2=S)c1	408987716	BRVFVRPMIGYBNM-FOWTUZBSSA-N	477.592	5.180	10	40	JKCB	
CCCOc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C	409056908	NMMHLRDZQYRTPL-GZTJUZNOSA-N	478.184	5.807	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409059051	OPFKZCWIRIKYMI-UCQKPKSFSA-N	490.987	5.942	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl	409089048	HAFQUYNUILZEEZ-ZHZULCJRSA-N	451.353	6.617	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)NC2=S)c1C	409129997	VQYQLKDXFVBXLA-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409138153	ZEQYCGBQSPOBSL-IWIPYMOSSA-N	494.016	5.825	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccncc1	409333485	SMBPTLIDTOUUHD-BKUYFWCQSA-N	452.532	5.214	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1	409338704	OQXCWYZTUAILPZ-PXLXIMEGSA-N	460.580	5.418	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(C)=O	409349210	VJQLIMTWKAESTO-IUXPMGMMSA-N	498.807	5.442	10	40	JKCB	
CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	409367888	JBFWHCAJIZXSQU-NNLQFVHNSA-N	496.441	6.109	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)c(O)c(Cl)cc2c2c1CCCC2	526052632	XZXGUROTISUQQY-PTODGXCASA-N	495.063	5.426	10	40	JKCB	
Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2O)cc1	1795809	GBTZAOQZCRLXGL-UHFFFAOYSA-N	471.603	6.959	10	40	JKCB	
CCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1	2278407	NNWWEDMRGKSXOY-QINSGFPZSA-N	481.068	5.154	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1	9309784	QUZBCJNIAJSKAH-UGIGCIEISA-N	453.571	5.264	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@@H](c2ccccc2)N2CCCCC2)c1O	11867317	VIUCQNIGRUFRKM-HSZRJFAPSA-N	460.599	6.068	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	14010577	BERIUEHOSDSMCL-QMCWJNDUSA-N	489.399	5.253	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	26681023	ZVWMWJVYGMKLNG-KELBLCKYSA-N	467.337	5.921	10	40	JKCB	
CC(C)(C)c1ccc(OCCn2cccc2/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	33330665	PWQRSJIIJWOTIR-QJOMJCCJSA-N	475.520	5.510	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3c(OCc4ccccc4)ccc4ccccc34)S2)cc1	33445417	AMPDLRZDBBRWSG-ONUIUJJFSA-N	450.563	6.810	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(O)=NC2=S)cc1	38161914	KLOOKHCHQLBFSX-CPNJWEJPSA-N	464.631	6.221	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847188	RZWODGDNIGEPGE-WZOHSFFVSA-N	450.991	6.276	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1OC	58849469	DSISUYLCIZTOBX-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(F)cc1	59418248	UIMIOJXRZLJGKF-WSDLNYQXSA-N	469.534	5.958	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1[N+](=O)[O-]	100525201	DDZGZBMHIIPJLG-AWZKZOKMSA-N	485.323	5.356	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1F	223383614	DHWLPHOSQNJCHV-FTJBHMTQSA-N	456.590	5.801	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223972263	FAVAXAMVAQFBJF-VSGBNLITSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224209249	ASUGBDCGEBFZLE-FTJBHMTQSA-N	453.615	5.678	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224305071	UIZBWXGFJGNDNA-FQLXRVMXSA-N	480.681	6.900	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1O	224465657	ODQIYSKGSVUJBH-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C	224568256	QANWEYYMAXGXLW-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902601	ZDHQWJIMDGRKGD-VSGBNLITSA-N	484.644	6.731	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1	408778001	NUIXRRAHNIQNKJ-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c2C)cc1	408800977	QSOZBVACAMGHJV-UHFFFAOYSA-N	464.542	5.173	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1Cc1ccccc1Br	408876557	PYUDUWRNIMOSIX-NBVRZTHBSA-N	495.760	5.360	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	408895558	LFAJKXWAHVBMQB-OEAKJJBVSA-N	488.971	5.819	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1Cc1cccnc1	409142735	BNRHDPNIEAHSLR-VWLOTQADSA-N	470.619	5.785	10	40	JKCB	
O=C1[C@H](Cc2ccccc2OCc2ccc(Br)cc2)SC(=S)N1Cc1cccnc1	409145232	NBYZKGBTHSXBPI-NRFANRHFSA-N	499.455	5.395	10	40	JKCB	
CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409327615	LPXPKTVTLBBTCX-LZYBPNLTSA-N	468.781	5.434	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Br)cc1	409339847	LOMIDWVEKRZYDD-WOJGMQOQSA-N	487.356	6.023	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	409346222	LJRTVWMOANUKEO-WSDLNYQXSA-N	495.944	5.575	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc23)C1	1913340	CABJPKLEZUYNKQ-ZDUSSCGKSA-N	451.872	6.070	10	40	JKCB	
CCOc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c(OCC)c1	2258125	OXCTZGDMMKECOK-ULJHMMPZSA-N	450.604	5.409	10	40	JKCB	
Cc1cc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(O)=NC2=S)c(C)c1	2450352	DTUCAIMBDFWEFB-BUVRLJJBSA-N	479.605	6.286	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)SC1=S	2828387	KWPYWUQYLZCHCK-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1	8821817	OTCMUEDJKJHJCY-VXLYETTFSA-N	473.337	6.342	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCCOc1ccccc1C	9425719	XZRHMZASDIHAMV-PDGQHHTCSA-N	494.432	5.103	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3cccc(C)c3)C2=O)cc1	9427538	JFKWYPGZMMWJGP-FVBVXOILSA-N	471.557	5.055	10	40	JKCB	
Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc(Br)cc3)sc2nc1-c1ccccc1	13575476	PXCONGUSBYYXPV-UHFFFAOYSA-N	481.371	5.656	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1CCC1=CCCCC1	13765766	MHPDZSAEFHPYSC-ULJHMMPZSA-N	469.610	6.047	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccccc1	13897996	VOLPMAXJMOUBKY-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	15010424	QTEGYOCCLSSBDV-MTJSOVHGSA-N	467.934	5.892	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Cl)c2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1	15011968	KVPJHVNZGACKPY-AWNIVKPZSA-N	471.741	5.122	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	32109748	RVPRNIYESTUWOW-BOPFTXTBSA-N	456.285	6.276	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1[N+](=O)[O-]	100525197	DDZGZBMHIIPJLG-DUPNKOKHSA-N	485.323	5.356	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21	208191054	UXPHBAVMGCWYTN-VGSSETLESA-N	472.372	5.382	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222878504	GZLDUDDYPUUWQE-VXKWHMMOSA-N	459.446	6.178	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223429052	CVXDFNRAJJBZHL-SVBPBHIXSA-N	483.641	5.374	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	223520915	VSMZYOGRCSGNHV-QRVIBDJDSA-N	464.009	6.152	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1F	223857015	YGIZVQVQYQMMMD-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1	223893713	GLGLCACEYYLEFP-SVBPBHIXSA-N	467.642	5.732	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223893966	IJPUMUSREMOKQU-VSGBNLITSA-N	481.669	6.041	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2)SC1=S	408571811	CQNPKXNDVZORQW-WSVATBPTSA-N	481.426	5.621	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	408575328	NUOZQWUHDAZYEJ-JLPGSUDCSA-N	488.634	5.668	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1C	408765544	YMFVQJQSZQSIFX-XSFVSMFZSA-N	489.955	5.924	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)c1	408799703	HRVVBNUEKSWVJQ-FYJGNVAPSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1	408840229	CQLUSHUKNJJYML-CPNJWEJPSA-N	466.266	5.331	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1Cc1ccccc1Cl	408875538	JVHMBXTZBQDXMJ-HYARGMPZSA-N	474.944	5.304	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C	408967518	QQYUEFLLSIEYLY-UCQKPKSFSA-N	495.442	6.656	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1	409233183	RPOINCDHUTWYDO-FYJGNVAPSA-N	464.999	5.631	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1	409244604	GBWXQLHAWWTJNK-XKZIYDEJSA-N	473.891	5.149	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c1	409338158	FAQNUMVENWHZAN-YBFXNURJSA-N	478.447	7.381	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	8819098	ASDMBEBBPNRFSC-MFOYZWKCSA-N	467.399	5.232	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1Cl	8820146	HKCFTONFXBOGLS-RGEXLXHISA-N	479.454	6.394	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccccc1Cl	8820888	SEPGRJRBRBGAOU-UCQKPKSFSA-N	480.973	6.106	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1	9136818	RKJUCMZYBIICEG-MRKXPFMVSA-N	468.966	5.135	10	40	JKCB	
COc1ccccc1N1CCN(C(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1	9877167	AUNXLLKSQUEZOV-UHFFFAOYSA-N	466.006	5.099	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc2Cl)cc1C	10112175	KWWKBOYIVRQCOH-UHFFFAOYSA-N	498.048	5.288	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)o2)c([N+](=O)[O-])c1	41108874	SWJFKILMEPEKPD-WQRHYEAKSA-N	495.875	5.722	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58847691	GPUWJECUZFKMKQ-XLNZFTOWSA-N	471.409	6.621	10	40	JKCB	
O=C(/C=C/c1ccccc1)N[C@H](Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl	102783986	YILBAQDXYGUBKJ-WACLYMPBSA-N	473.791	7.040	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21	208468244	NXPOYHADTYYAMY-FBHDLOMBSA-N	499.995	5.786	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223121603	WTQIYQZAAWYFIY-FTJBHMTQSA-N	488.657	5.581	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1C	223500942	YYQMRIUZEJTRPA-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc2c(c1)OCO2	224607516	OAQMXGLLNKPHTA-FTJBHMTQSA-N	484.581	5.101	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	408577188	RTQRRLRTQBIHGZ-XKZIYDEJSA-N	484.643	5.329	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408736052	CEUZRPNLWUAGMF-WYEJZRMESA-N	452.381	7.408	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)cc1	408761282	DCMFISDFAMTDRY-RCCKNPSSSA-N	458.970	6.706	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408775268	RUSZPZPKRKUWJV-XQNSMLJCSA-N	457.599	5.223	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)cc1	408783518	MLTNUPGYVWMICN-YZSQISJMSA-N	462.505	5.394	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)cc1	408799120	JTQVITUALOXKKR-PCLIKHOPSA-N	496.494	5.233	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	408816642	RXTHJROWPWASPA-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	408868509	OTEVRUULFNCKQK-YDZHTSKRSA-N	493.390	6.176	10	40	JKCB	
CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408955474	UOANSYFIPRKQAE-PYZZELPYSA-N	495.623	5.443	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc(F)c(Cl)c1	409175976	GQWMTWUKCVNEIJ-FRKPEAEDSA-N	496.347	6.260	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)c1	409248795	QTXCQXDEGZTSRR-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC	409329394	FGSJTQULXLIBIL-OVCLIPMQSA-N	459.898	5.782	10	40	JKCB	
O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	3635788	HEGGBEMNVQBPIJ-KQWNVCNZSA-N	454.555	5.742	10	40	JKCB	
[N-]=[N+]=NC[C@H]1O[C@@H](OC(=O)c2ccc(Cl)cc2)C[C@H](N=[N+]=[N-])[C@@H]1OC(=O)c1ccc(Cl)cc1	4277016	GTVZYBHRETXPMQ-MHORFTMASA-N	491.291	5.480	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1	8819244	AEFPMXNQKYEUOX-HKWRFOASSA-N	486.590	5.013	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc1	8819775	PCKCTXGOAUCPSF-HKWRFOASSA-N	468.600	5.094	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)c(OC)c1	8821749	JGJPUCLDAUDBSP-OYKKKHCWSA-N	460.555	5.674	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9016001	XHKPDCUZMCTPBC-TWJOJJKGSA-N	496.006	6.389	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	9144476	IRIUTNJONUCAHT-KQWNVCNZSA-N	499.954	5.349	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc(C(C)(C)C)c1O	9188660	YXLXBWHZCHZXSV-PGMHBOJBSA-N	453.673	6.431	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCOCCOc1ccc(C)cc1	13940458	VACGTNBYHSQPLN-QJOMJCCJSA-N	487.643	5.089	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)cc1OCC	14413794	NIRNAFIJHIXBIF-PDGQHHTCSA-N	473.928	5.544	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)c2ccccc2N1c1ccccc1	20059431	RDALOJJPZZYZAT-SGWCAAJKSA-N	456.545	6.939	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1cccc2ccccc12	113833568	YCELAXGCGODPTJ-YZSQISJMSA-N	489.662	6.961	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223750918	WPPBUDJRFIOFDR-JWQCQUIFSA-N	455.587	5.070	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224236880	XRKJDUDQNQJAQN-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366837	AFZBPWHLSRQSBO-LOYHVIPDSA-N	494.708	7.352	10	40	JKCB	
CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	408538457	NDTKMPJKIVQPDK-CPNJWEJPSA-N	475.372	5.927	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(I)cc3C)C2=O)cc1	408738890	PRFKXVWYIXKWPC-HMMYKYKNSA-N	493.344	6.080	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)c1	408785598	HXFKFXMFIWXXAG-XDHOZWIPSA-N	482.367	5.684	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	408795363	CBGJHRWFMCANDN-DEDYPNTBSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1	408846710	YRZXBYIAYLFWJG-CPNJWEJPSA-N	482.721	5.845	10	40	JKCB	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(=O)N3CCCCC3)cc1)N2	408876878	ONSKNTXTUSSMTF-NMMYMHLASA-N	466.965	5.256	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)c1	408883648	VHYMNJGWWYPLQQ-UDWIEESQSA-N	462.908	5.353	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C)c(C)c([N+](=O)[O-])c3)C2=O)cc1	408987078	VMDJXFBVWQVCRR-KGENOOAVSA-N	474.944	6.735	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OCC)c2)NC1=S	409087235	XSLIRJMBQUDCGW-UNOMPAQXSA-N	489.435	5.203	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2	409337321	UBLKPMZNUPZHHC-CLCZQPDDSA-N	490.650	5.808	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C	409369640	TVEVFMPIKSECJI-VCHYOVAHSA-N	491.425	5.731	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1	2288626	TVCJHWHAJJNBQA-AUFPJITRSA-N	481.646	6.810	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc2c(c1)CCCN2Cc1ccccc1	2397935	BWZKVERBVPCEAO-KQWNVCNZSA-N	488.012	5.124	10	40	JKCB	
Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)c2c1C	2889038	PJIBGOMFHGYGGZ-UHFFFAOYSA-N	459.999	6.483	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(OCCOc5ccccc5C)cc4)C(=O)N=C3S2)cc1	3858721	VLLDPTIJHVEJGF-WJOFZGQRSA-N	496.592	5.429	10	40	JKCB	
CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(CC)cc3)SC2=S)cc1	8764020	BOBIDEKSCMRRMU-PGMHBOJBSA-N	454.617	5.268	10	40	JKCB	
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(Cl)cc2)cc1	9288904	GNABEEAIZSGYOQ-UHFFFAOYSA-N	460.969	5.140	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1O	9310736	BBUCWMPPTYEFLI-CXUHLZMHSA-N	497.379	5.028	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	12276154	CUNCTSYVBLJYTH-SKQHNDAPSA-N	481.481	5.222	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1ccccc1	13286403	PWVOCGUHGOAPJD-SMKDVUIYSA-N	471.611	5.604	10	40	JKCB	
O=C(O)CCc1ccc(-c2cccs2)n1Cc1cccc(CNC(=O)OCc2ccccc2)c1	14153027	OAUGBWRXZQJZRK-UHFFFAOYSA-N	474.582	5.709	10	40	JKCB	
CN(C)c1ccc(/C=C/C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1	19320303	CGPAPLGAQPLKGA-CXUHLZMHSA-N	466.456	6.417	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4ccc(SC5CCCCC5)o4)C(=O)N=C3S2)c1	41108406	ZMSCLIBLHNBXIG-HRXHUYTNSA-N	480.615	5.711	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139062	GYKZEIGXDREPQP-JJIBRWJFSA-N	493.475	5.747	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C)n1-c1ccc2c(c1)OCCO2	102265439	YHZWNYGHDFMOQU-HFCJMSRESA-N	483.992	5.169	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(OC)cc23)cc1	113471866	KCEPAQHZUQFMCR-DIBXZPPDSA-N	480.568	5.042	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1	214478021	KFNZQQMZBDSJCY-RGVLZGJSSA-N	453.903	5.843	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1C	223861776	VBLFFJWYCRWWNQ-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224220789	KNSWXVBGLVYJGI-RRPNLBNLSA-N	496.636	5.761	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224234573	LAIPRUGVCMNGEY-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	224464422	JSEWVYSUASKANW-JWQCQUIFSA-N	493.463	6.973	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1	408576076	PNZNJECSNLAGAP-KQWNVCNZSA-N	474.607	5.672	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409022551	RQRZJPBTGHMKSV-IWIPYMOSSA-N	473.956	6.105	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409054598	ACKFHFNUVWKGHM-BKUYFWCQSA-N	495.406	6.587	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c(C)c1	409143370	NAQYBXCQCAYONA-OEAKJJBVSA-N	483.568	5.277	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S	409165894	ABUINQLIHMTEPG-XQNSMLJCSA-N	481.577	5.087	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(C)C	409195772	QIGCOFONWITACP-GRSHGNNSSA-N	478.433	5.898	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCCOc2ccccc2)SC1=S	409200957	UEPJBIRBYGAYLC-CJLVFECKSA-N	450.585	5.100	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OCc3ccc(Cl)cc3)SC2=S)cc1	409334692	VUKROCJQNVUQNL-HMAPJEAMSA-N	498.025	6.342	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)c2C)cc1	409340755	ASCVOICMENCIAV-JJFYIABZSA-N	497.523	5.056	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)n1-c1ccc(Cl)cc1	1896292	HETZCVQRZXXTMX-UHFFFAOYSA-N	490.053	7.394	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	3347811	DZTYREZSEOQEJO-CRVDFBCUSA-N	484.455	5.432	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)n3-c3ccccc3)c2C)c1	3416801	RHIGIROGYNVUHE-UHFFFAOYSA-N	496.636	6.835	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-]	8819000	UHTFXCLZVIHQGO-QDDTUJKSSA-N	480.523	5.190	10	40	JKCB	
O=C1/C(=C2\SC(=S)N(C3CCCCCC3)C2=O)SC(=S)N1C1CCCCCC1	8870029	ZFZHXXBXOYNYAK-FOCLMDBBSA-N	454.708	5.364	10	40	JKCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1	9090018	DKGROZPCUUFPHV-KOEQRZSOSA-N	481.552	5.150	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9161237	UIOCVXAKKKONAX-SDHOMARFSA-N	498.376	5.472	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)N1CCC(Cc2ccccc2)CC1	12032459	UCIOSWFNTJZDHK-PTGBLXJZSA-N	499.101	5.803	10	40	JKCB	
Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C(C)C)C1=O	13816584	CGAPUBSLHBLSKI-OYKKKHCWSA-N	491.682	6.492	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3o2)cc1	16678637	QYADWANUOYPMKZ-UHFFFAOYSA-N	458.587	5.776	10	40	JKCB	
COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)c1	20573636	CFMIETLJQAXWGT-AWEZNQCLSA-N	463.452	5.693	10	40	JKCB	biogenic
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	32109997	OSCHXZZUSZFKLY-REZTVBANSA-N	485.776	5.341	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	33311627	AKCWTGIPLFECFC-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(C)c(Br)c4)C3=O)n2)cc1	100524990	BUXVVRRLOJONDG-WWDJGNSZSA-N	484.379	5.765	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(OCc2ccccc2)c1	205784982	DIYBEQYNTZSLJE-OEAKJJBVSA-N	482.602	5.100	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C(=O)NC1=S	208239971	JGWAMGLNTQHXIK-UZUMKDMXSA-N	482.049	5.456	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223425589	HGCYSYRORFMTCB-LMSSTIIKSA-N	496.680	6.287	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223495338	KJKFBKMDBSCATL-SVBPBHIXSA-N	467.642	5.619	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1C	223899906	RCSYGNIHETVGKH-WDYNHAJCSA-N	495.696	6.349	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224304023	ULAQSXYNUOGALG-WDYNHAJCSA-N	495.696	6.349	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	224464899	DBZUQEQQZBLDNB-DQEYMECFSA-N	493.463	6.973	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C	224573779	IPERWRBNKMWRKK-DQEYMECFSA-N	469.614	5.378	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	260922653	RBUNBQQJHZBOHJ-CLJLJLNGSA-N	454.643	6.199	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1	408528252	HFGAXBBQDRWZJF-ZROIWOOFSA-N	475.799	6.048	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1	408550136	BUWXTVJQVRFDMQ-BKUYFWCQSA-N	480.351	5.817	10	40	JKCB	
Clc1ccccc1COc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1	408736439	SWERZQGJVHXGAU-IMWIBFENSA-N	456.800	8.052	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1	408806452	NEYDGYSWGCPQQG-UDWIEESQSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C	408865582	CYFRSUZFMVSUHI-HMAPJEAMSA-N	476.985	5.367	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1	408867581	KOYQNFRPJAEGDX-XKZIYDEJSA-N	481.415	6.402	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408884075	WPUMMQNXLMJANR-WQRHYEAKSA-N	485.298	5.378	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C(=O)O)c1	408904148	FMXGXRGJFIFCIX-CIAFOILYSA-N	476.916	5.432	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1	408939525	SUKWTVPIYPITFS-ONUIUJJFSA-N	462.505	5.394	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1C	408964232	CHIVBYUAROVMCK-QRVIBDJDSA-N	468.981	6.686	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCC(C)C	409329274	DBJZBOZIDSWHBU-RGVLZGJSSA-N	458.561	5.434	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1	409351232	ZRLAFXGTUPSSPO-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
CSc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	2532800	LZOOPIWKZOSJCI-UHFFFAOYSA-N	483.376	6.299	10	40	JKCB	
CCN(CC)c1ccc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@@H](C)c2ccccc2)cc1	3258960	ROJKSRUQLRLWAN-GOTSBHOMSA-N	469.629	5.671	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	6906857	SHJXNJQBXPHKGY-PXLXIMEGSA-N	461.564	5.316	10	40	JKCB	
CCc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	8820073	VJRKALZJRQPXCJ-XLNRJJMWSA-N	496.654	5.436	10	40	JKCB	
Nc1c(C(=O)OCc2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12	8951165	HQKZEWTUEWZFCA-UHFFFAOYSA-N	454.526	6.709	10	40	JKCB	
O=C(COC(=O)c1ccccc1I)Nc1ccc(/N=N/c2ccccc2)cc1	12616454	TZBPXZXDGYSWHH-OCOZRVBESA-N	485.281	5.502	10	40	JKCB	
Cc1c(-c2nnc(CSc3ncc(-c4ccccc4)n3C[C@@H]3CCCO3)o2)oc2ccccc12	12813249	CASMZNBYKKCHNX-IBGZPJMESA-N	472.570	6.126	10	40	JKCB	
[O-]/[N+](=N\c1ccc(Br)cc1)c1ccc(/N=N/c2ccc(Br)cc2)cc1	13403465	AKCJTJLJVIEARH-ZCAPXNBXSA-N	460.129	7.553	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1	16678535	MMIJQICJFBUFST-ITYLOYPMSA-N	463.537	5.506	10	40	JKCB	
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1	20528976	RBENFUGVHCONSI-QPJJXVBHSA-N	473.356	5.751	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)cc2)c1	33306875	PKVPMKHMXYTUDA-IWIPYMOSSA-N	483.524	5.136	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	35039732	DVSYZKPOHLBDAL-GRSHGNNSSA-N	490.389	6.666	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1	59418246	ZAHYYBHBPYFTKB-DEDYPNTBSA-N	480.523	5.437	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1	101346687	QLPHOYMCGOSGTR-LCYFTJDESA-N	464.765	5.884	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc1Cl	144201750	JOXCUXQUXHTFEK-MTJSOVHGSA-N	466.946	5.775	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1	223551768	MDYKCOPTYFIRLN-OVBDPADQSA-N	461.631	5.327	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1C	224017877	INFQSXBRHJUVHK-NSOVKSMOSA-N	496.636	6.012	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224253912	KXXMGMFRNKXLMW-SVBPBHIXSA-N	496.636	5.761	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224339383	MTOYMPZAUGKEMZ-XRKRLSELSA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(F)c1	224367261	HNIFWIICKOXMNA-IZLXSDGUSA-N	484.644	6.929	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224401364	HTOBRVLDXVSYPZ-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(Br)c3)SC2=S)c(C)c1	408602470	OHZHZTNQGMQSSW-JAIQZWGSSA-N	476.461	6.507	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(I)c3)C2=O)cc1	408738621	MOJPVFVLFAYFDE-XMHGGMMESA-N	479.317	5.771	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1	408740738	LZYJAYRKMXFQBC-ODLFYWEKSA-N	484.339	5.076	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1	408752088	BRFAEJPGDSSAJM-RCCKNPSSSA-N	474.969	6.494	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	408803406	ONJKTFYCLDHDPT-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1	408866619	HFTRGSHDFBHPJD-AQTBWJFISA-N	483.376	5.404	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1	408986658	SCFSYGKUYJHMGX-LDADJPATSA-N	450.604	5.127	10	40	JKCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCc4cccc(Cl)c4)c4ccccc34)[C@H]21	1565524923	XYVRVPFTQMXCBP-NDEPHWFRSA-N	499.014	5.148	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(CCOc3ccc(Br)cc3)c3ccccc23)SC1=S	1205803	IAPZUSKDQCNZPO-UNOMPAQXSA-N	473.417	5.314	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1	2226047	UDCGTJBSRPVNNA-KKMLCIJBSA-N	491.591	7.018	10	40	JKCB	
COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3cccc(O)c3)C2=S)cc1	6143097	YWZLLBFPXJKATF-XSFVSMFZSA-N	456.589	5.437	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Br)c1O	8456872	ZRLSUSHPIQFZDQ-VIZOYTHASA-N	469.257	5.378	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(-c2ccccc2)cc1	8819694	NNUQDKXNTAXDMU-QQTULTPQSA-N	486.662	6.754	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)N=C3C)o2)cc1[N+](=O)[O-]	8854743	OFBJHBZUICFTNG-PDGQHHTCSA-N	482.290	5.432	10	40	JKCB	
O=C(c1ccccc1F)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9233895	BDTCVXJRLRWAQT-YTCPBCGMSA-N	499.541	6.142	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1C	9273509	ZLNFFJBJXKTBLX-VIZRJVHBSA-N	483.597	5.409	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1C	9553416	AQJDZPLDBVOCFR-XKZIYDEJSA-N	451.569	5.577	10	40	JKCB	
COc1cc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	9554173	BPDYZRRTXVEVOS-VBHSOAQHSA-N	454.286	6.312	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S	16790654	CKFWUJXSXZCTRH-PGMHBOJBSA-N	455.601	5.696	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1	32594721	PGZOWVWCDDSXPW-IBNIFWCESA-N	473.985	6.170	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)cc(Cl)c1O	38169959	ZIAJXUCUJIKKPP-WZUFQYTHSA-N	455.681	5.258	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847186	YIIVVJQUVYPNNN-WZOHSFFVSA-N	450.991	6.276	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	100045997	ZWFSTKRECNJPAR-RGVLZGJSSA-N	460.446	5.827	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	100208022	UILNEWCPHVGRAH-BWAHOGKJSA-N	469.537	5.542	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223388948	JKAPDOUNMFNNJP-WUFINQPMSA-N	466.654	6.279	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223458597	UKSSNNXHQBIICQ-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223764493	YGPBSQJISUNGHE-XTEPFMGCSA-N	482.653	6.292	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223789041	SSAZYBKDFAJCQX-UIOOFZCWSA-N	469.614	5.460	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224341719	QMWAMTGSOSHPEF-UIOOFZCWSA-N	467.642	5.932	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	224571468	WZCSIWMMHIEIME-RRPNLBNLSA-N	498.608	5.404	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1	225342612	ZRCNYNFJMJJXBB-VSGBNLITSA-N	482.653	6.453	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])C(=O)O2)cc1	408743745	UUNRRDQVWZKIGG-UDWIEESQSA-N	459.454	5.172	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(F)cc1	408744524	YIVKBVDJELEZEY-XDHOZWIPSA-N	481.317	6.157	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(C)cc1	408805791	HQGWLDREYUKGMD-XSFVSMFZSA-N	490.943	5.293	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1	408806919	CFGRXEWAXUAKEH-RGVLZGJSSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c3ccccc32)cc1	408902642	PDTOBQIEAKLFIU-BUVRLJJBSA-N	483.618	5.994	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc(C)c2)cc1	409043850	ZYHARLDZMDESPA-WOJGMQOQSA-N	472.413	6.076	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	409253333	TZIWDZQLAQNPBO-RAXLEYEMSA-N	477.756	5.738	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1[N+](=O)[O-]	409347379	PUPRAXTVEICBIW-ODLFYWEKSA-N	467.484	5.477	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409351589	UZWWAFAXKYQJGY-NDENLUEZSA-N	468.987	5.852	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(F)F	409352975	FSYWJOZHPHJIFI-LZYBPNLTSA-N	476.353	6.399	10	40	JKCB	
CCOc1ccccc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1	905538	NNMRWHYPJWMRRH-UHFFFAOYSA-N	451.523	5.460	10	40	JKCB	
O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc(O)c(CN3CCCCCC3)c2o1	2138047	FWXRVFFMENMJGD-UHFFFAOYSA-N	496.357	5.411	10	40	JKCB	biogenic
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)o1	8425801	UCTTUVABLTWMSE-UNOMPAQXSA-N	482.290	5.432	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	8821430	BIQZBDDCCFAKNP-CPNJWEJPSA-N	454.960	5.075	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2nc(-c3ccccc3)cs2)C1=O)=C\c1ccccc1	9030161	JCMFLNQQNJLGPD-CMMGMQPASA-N	491.663	5.986	10	40	JKCB	
CCn1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nnc1-c1ccccc1	9130934	DWGWHUAFOCWZJX-UHFFFAOYSA-N	460.559	5.076	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(Br)c2ccccc12	33387827	PKIUBSSYGUIDMZ-BOPFTXTBSA-N	468.376	5.107	10	40	JKCB	
CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)c2ccccc2C(=O)[C@@H]13	104371887	JEWNLRSIOYOUSQ-OWAVCOQESA-N	460.614	6.208	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	223039783	FRPQIQLIXBFVLG-XZOQPEGZSA-N	488.579	5.517	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc2ccccc12	223264542	HOCVMXMCHORLDE-RRPNLBNLSA-N	469.658	5.176	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223349979	JPLPEWJNOWSHKG-UIOOFZCWSA-N	456.615	5.872	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224203065	FJLGIPOVEVWBPY-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224204749	SVLHOIUBKUDXRP-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1	224285540	FQNKPEGUBMTCQI-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1O	224368833	HZFWMMLVANQLQK-IZLXSDGUSA-N	482.653	6.495	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1F	224902504	YSENLLOTBKGYCT-XTEPFMGCSA-N	484.644	6.731	10	40	JKCB	
Cc1ccc(N(C)CCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1	225796372	WVNVFCZEAPKQFL-UHFFFAOYSA-N	459.659	5.946	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1ccc(Cl)cc1	408633831	PVJUBFUGQCVTDZ-XSFVSMFZSA-N	499.980	5.345	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Cl)cc2)cc1	408764464	WYRVSBWBSDUYAV-NLRVBDNBSA-N	452.941	6.726	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	408864964	BHZDFNZTGCSNOL-IWIPYMOSSA-N	460.961	6.015	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)c(C)c1	408868867	NVTXQYKMIJWGJE-KGENOOAVSA-N	462.908	5.353	10	40	JKCB	
CCCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408874209	AGDQUZVWPWMHCG-UHFFFAOYSA-N	492.600	6.377	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)c1C	408888838	BPUBQXNEQMCDKN-LFVJCYFKSA-N	494.522	5.841	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1Cl	408934729	BPVJUQCOGQDFLY-KGENOOAVSA-N	465.336	6.014	10	40	JKCB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC	409053576	NBZDPOUTCDXUSY-GRSHGNNSSA-N	478.433	5.566	10	40	JKCB	
O=C1[C@@H](Cc2ccccc2OCc2ccc(Br)cc2)SC(=S)N1Cc1cccnc1	409145238	NBYZKGBTHSXBPI-OAQYLSRUSA-N	499.455	5.395	10	40	JKCB	
Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409162333	UICJMTMSAVSLJK-SANMLTNESA-N	486.622	6.850	10	40	JKCB	
CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]12	409180060	UZCYSHJBQHNYPE-PCNLEXPJSA-N	483.571	6.847	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1Cl	409214357	USYHFOOIWSRDIY-CHHVJCJISA-N	485.768	5.425	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1OCc1ccc(Cl)cc1	409340447	XKYAVIODKSMQDZ-HMAPJEAMSA-N	482.026	6.642	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nc(C)nc4sc5c(c34)CCC5)c2C)cc1	1465554	KUIVLKILZRWUDD-UHFFFAOYSA-N	463.628	5.880	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	2358519	ARJKGTYTDVJRFT-NDENLUEZSA-N	458.391	7.192	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	6475537	SUGFACQHZYBSJZ-XFAFFCHDSA-N	462.505	6.794	10	40	JKCB	
Cc1ccccc1Cn1cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)c2ccccc21	8453506	DTWDPAHFFQRMET-APXXKABGSA-N	492.579	6.441	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCc1ccccc1Cl	8821791	BUPYQHLAYLQUIK-XYGWBWBKSA-N	493.028	6.963	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9309375	REYQFUZYTNAGIY-VOSUIAOHSA-N	493.514	5.780	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(C)cc12)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288111	IKXNBKCVKMDHIR-XHPQRKPJSA-N	452.533	5.473	10	40	JKCB	
OCCC1CCN(CC/C=C2/c3ccc(F)cc3Sc3ccc(C(F)(F)F)cc32)CC1	31297681	CCUOZZURYIZOKX-UYKKPYKBSA-N	451.529	6.225	10	40	JKCB	in-man
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	32124844	KMPJLZMSCHQIPP-STZFKDTASA-N	464.593	6.460	10	40	JKCB	
Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1	33385400	OACRUINTXHOQLS-QVIHXGFCSA-N	499.600	5.200	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	35040029	QQJKEMXWWANDSB-BKUYFWCQSA-N	450.541	6.131	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	35225928	AZFCZAAFIMPDEM-PHNMUWTHSA-N	489.988	5.446	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	36081955	UVEICYLZTUMGRB-DXBVXKBHSA-N	459.973	6.922	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F	40006256	GVSNHTXLJRBJHI-IWIPYMOSSA-N	479.598	6.205	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(C)c3C)C(=O)N=C2S1	41108317	KDHNBYVMEXSDGI-AKZCVUIYSA-N	469.570	5.101	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1	59109553	FRAQMTLJPNMECW-WOJGMQOQSA-N	470.913	5.291	10	40	JKCB	
CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)ccc1Cl	59416945	VPGMVXZMWJIFSG-XSFVSMFZSA-N	497.378	6.935	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1cccc2ccccc12	208694787	IWNPDDAZOJKBEY-HMAPJEAMSA-N	481.520	7.524	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223389331	FUSXERIEBHAADC-VSGBNLITSA-N	466.654	6.279	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)nc1	224308629	ORLMMUQPSIWXHV-RRPNLBNLSA-N	467.642	5.987	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1Cl	224974051	DKOKLARPFLDBBL-JWQCQUIFSA-N	475.017	6.020	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	260917992	KJZAAYZLJLKODH-RPBOFIJWSA-N	493.051	6.683	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408584869	WBQAMOIDOGFAFB-JLPGSUDCSA-N	470.481	5.051	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(F)cc2)C1=O	408754923	SOKFKFKAUQCFIC-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccc(C)cc2)C1=O	408762770	QNYISDJDSQQRPG-HMMYKYKNSA-N	458.970	6.706	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2F)N1c1ccc(Br)cc1	408841151	FTTCHNPFFHKAEV-CPNJWEJPSA-N	466.266	5.331	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Cc2cc(C)cc(C)c2)c1	408879842	HFKZCKQGFLCQJV-WGOQTCKBSA-N	468.553	5.186	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br	408901856	HYQOUEFVDUBMCH-XNTDXEJSSA-N	454.798	5.907	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409023155	SUYKFNYOKLSOOB-IWIPYMOSSA-N	493.481	6.162	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	409060976	XLXPFVABHGEVEV-UCQKPKSFSA-N	460.961	5.933	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C	409132935	YPOBKQHCWBAYOE-JJIBRWJFSA-N	474.582	5.550	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)SC2=S)cc1	409352774	YRUREMOCRHIOBP-NDENLUEZSA-N	495.538	5.205	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1c(-c1ccccc1)n(-c1ccccc1)c2-c1ccc(Cl)cc1	3139506	BZBCEIJXGPSJEP-UHFFFAOYSA-N	459.932	7.240	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4cn(Cc5ccccc5)c5ccccc45)C(=O)N=C3S2)cc1	8451386	AJGQNFCKSJTRCB-HGNJXLJLSA-N	475.577	5.665	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1OC	8918164	LIEWCSKBSYSDPL-KCHLEUMXSA-N	493.559	5.035	10	40	JKCB	biogenic
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1	9477846	XCUURFLWCVIYTD-UKAWQWHTSA-N	491.591	6.427	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccccc1	9553702	PMYMGJXLZKKCGK-KQWNVCNZSA-N	498.094	6.913	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	13550068	PBDSHLQVCGUEPN-XNTDXEJSSA-N	461.688	5.573	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	27018112	ATOALZZVUJGDPX-QNGOZBTKSA-N	478.599	5.839	10	40	JKCB	
CC(=O)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)c1	35623022	RCGJOJZVGKEZSY-QFIPXVFZSA-N	484.393	7.022	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)cc1Cl	40006131	HJLQHPGYHZPFPD-FBHDLOMBSA-N	496.481	6.828	10	40	JKCB	
CCOc1ccccc1/N=N/[C@H]1C(=O)N(c2nc(-c3ccc(Br)cc3)cs2)N=C1C	100525158	HNMNNQWBCIPMFF-WWDJGNSZSA-N	484.379	5.846	10	40	JKCB	
CCN(CC)c1ccc([C@H]2Nc3cc(C(=O)c4ccccc4)ccc3N=C3CC(C)(C)CC(O)=C32)cc1	102873211	RTMWVXZCDDNYQU-SSEXGKCCSA-N	493.651	7.635	10	40	JKCB	
COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)c(Cl)c1	108234836	SCZNVJOLXAWFGM-AQTBWJFISA-N	469.324	5.042	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2C(C)=CC1(C)C	208518908	BFBALJBJMYUQFS-HYARGMPZSA-N	473.642	5.465	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223982170	MXNLJWLCAAIOQQ-RRPNLBNLSA-N	496.640	5.328	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)cc1	224550903	AJGLCZNKLNVLIZ-UIOOFZCWSA-N	470.598	5.375	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	224570477	MGXFPRUJRWOABR-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	224571594	FMCBYEGYIRTMGQ-YTMVLYRLSA-N	496.680	6.600	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	260914370	GKMLKLYZYSBSOJ-DNQXCXABSA-N	499.080	5.292	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2Cl)SC1=S	408571201	ACKYVYYMLYVHBD-YVLHZVERSA-N	481.426	5.621	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(F)cc3F)C2=O)cc1OC	408754227	JGBSBDRGJIDMBW-GZTJUZNOSA-N	453.872	6.107	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	408810075	ICTAPBXIUJMDMO-XQNSMLJCSA-N	496.950	6.047	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1C	408961319	RMAYTOQONWSMDM-HYARGMPZSA-N	478.017	5.450	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc2ccccc12	409039696	XFVDMCCPMGKBGQ-MYYYXRDXSA-N	477.651	6.675	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409061203	BWVNETJEEBSYCG-AUFPJITRSA-N	454.570	5.836	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1	409102801	WBNCAEUHZXOMJZ-JJFYIABZSA-N	497.382	5.241	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)o2)cc1	409340202	SDNHIFGQZJGEFN-DEDYPNTBSA-N	451.525	5.148	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1C1CCCCC1	409340400	WMVUKHQOKYHYFQ-KOEQRZSOSA-N	459.636	6.953	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCCC3)=NC2=O)cc1C	2285289	IXFFBFLPSZMUPW-XIEYBQDHSA-N	486.641	6.093	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1	2373188	LAEQOMVPHKEMBO-UNOMPAQXSA-N	461.486	6.380	10	40	JKCB	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)n1-c1ccccc1	3253945	DEWHLFVTCICMIR-UHFFFAOYSA-N	452.510	5.121	10	40	JKCB	
CCc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(CC)cc3)c3ccccc23)cc1	3368457	GPROAIHZIYJPGC-UHFFFAOYSA-N	494.638	5.566	10	40	JKCB	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1ccccc1)c1ccccc1	8820549	AAXYBJFFTHZZDP-YAZUWUEZSA-N	498.673	6.458	10	40	JKCB	
Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(N3CCOCC3)cc2)N2CCCCC2)c1C	9480674	FAYASAQGIMBVTM-RUZDIDTESA-N	479.646	5.622	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCc2ccc(Cl)cc2)cc1	20288603	RHZVIFUVYBHMNY-ULJHMMPZSA-N	490.947	5.114	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	35190393	FAWWJWFNIOQVFC-ZEAYLUBASA-N	489.604	6.109	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(Cl)cc1	59135190	LQKPTZMTAMEVRB-UDWIEESQSA-N	480.879	5.573	10	40	JKCB	
Cn1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)c2ccccc21	59862306	PJKLUKDGUDFMKB-DHRITJCHSA-N	479.580	6.153	10	40	JKCB	
Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C4CCCCCC4)c3nc12	79497947	CANBKLPGJCUITD-UHFFFAOYSA-N	459.502	6.024	10	40	JKCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	112297998	GYBLDRQTQVESCF-UQQQWYQISA-N	475.545	5.629	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C	208236964	GZCPHZPJBCXWME-PZUDMAOCSA-N	468.022	5.202	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)OC)c2)c1C	222988892	MFKYJCSVNCMABS-BJKOFHAPSA-N	462.619	5.048	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	223493668	LBJXWNDCVVTKEQ-QRVIBDJDSA-N	467.034	6.987	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224900810	GYXBEJKTODOOOX-SVBPBHIXSA-N	486.616	6.122	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1	408572240	FUEJZKYCRPCYFP-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(=O)OC(C)C	408600761	FYHMMDCRWQDICG-OEAKJJBVSA-N	493.606	5.585	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C	408755307	DFFQLXBBZTVALD-CIAFOILYSA-N	453.373	6.219	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3Br)C2=O)cc1	408763899	PTFCVVLBEWBIKL-RGEXLXHISA-N	480.789	6.891	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)cc1C	408816430	YSDRPQAZZORQPC-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O	408829819	NHXYJRHFNPZGPT-PXLXIMEGSA-N	490.943	5.373	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1	408849183	YZMDMQYJRHRVGH-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)C1=O	408876549	PYDYKGIPKYBPAH-JLPGSUDCSA-N	472.972	5.776	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cc2ccccc2Cl)c1	408883043	SSRZIMUMRVJMHK-KGENOOAVSA-N	481.335	5.259	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl	408983597	MRCJZGRKEBVAOT-WQRHYEAKSA-N	479.876	5.100	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1Cl	408984427	QWGUSHDZYFHBPE-YVLHZVERSA-N	468.981	5.615	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC1=S)c1ccccc1	409179003	MKOOMMFEJFIUQO-KOEQRZSOSA-N	496.613	5.965	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C	409237326	VZENVVXEPJUFNK-LFVJCYFKSA-N	471.626	5.611	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1	409249090	JIULXKSKTXXDSS-KGENOOAVSA-N	483.515	5.451	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12	1747797	DTMVIPQDRBCLTI-ZDUSSCGKSA-N	451.872	6.212	10	40	JKCB	biogenic
CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	2184954	ISRXXMPEQHPXHW-XSFVSMFZSA-N	496.419	5.808	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1C	2302180	RWMCHTFKBIRQPX-KQWNVCNZSA-N	493.654	5.484	10	40	JKCB	
O=C1/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC(=S)N1c1ccccc1Cl	2358969	FEFDUCJCJUVZHE-NBVRZTHBSA-N	457.942	6.160	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(F)cc2)[C@H]3c2ccc(N(C)C)cc2)cc1	8444268	FGZWOUFZGLBAQV-NWOZGMPVSA-N	496.630	6.395	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1[N+](=O)[O-]	8872209	BMTFDYZTHJYQIF-RCCKNPSSSA-N	493.475	6.543	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(Cl)cc2s1	8894587	MDKMUEHMISGYFU-GRSHGNNSSA-N	484.795	7.091	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	9170597	AODAHHZPIIFZNT-ZFMLPXDISA-N	496.394	6.863	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9193184	WGHROBPGZHWMEC-DYDIOXIGSA-N	491.979	5.863	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	9210000	XWWWTUUQYVKAJE-RGWAAKRYSA-N	481.625	6.275	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	9281358	ORXUBFGXEHEZKB-IHRLJDSVSA-N	488.444	6.600	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)cc1	9355093	UCYLNKNEJAKATG-UQQQWYQISA-N	471.626	5.576	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCCCOc4ccc(Cl)cc4)cc3)SC2=S)cc1	9762373	NGVNDZTVSKNPDF-ULJHMMPZSA-N	496.053	6.902	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	9973311	DPGWXOJLJLXQNV-STZFKDTASA-N	484.599	5.522	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)cc1	16678575	CZOXHXOCCKCAQF-UHFFFAOYSA-N	476.001	7.461	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1	19793090	RZHTXXXIHVYPGJ-HNNXBMFYSA-N	461.480	6.104	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	27904190	JZPIVOWZHAUPCO-XSBGCYDXSA-N	466.349	6.558	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1	33424650	PRLUHEAQAYZVOR-YVLHZVERSA-N	498.851	5.911	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)c1	33581122	QFHIJAJSFKLJJD-ULJHMMPZSA-N	467.594	5.619	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1	35040044	PGEASNFCJKZFOP-MTJSOVHGSA-N	450.541	6.186	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	58845800	CKULSQCVOJDOTO-DFIYOIEZSA-N	450.991	6.276	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222836718	OMQWQGLMIQUOFC-DHIUTWEWSA-N	455.027	5.532	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223059155	ISFCVIPCUVDQSL-RSXGOPAZSA-N	462.663	5.423	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101395	NPNWLCQIZSEFFX-KAYWLYCHSA-N	458.675	6.411	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1	223302617	FPZYVVMGPKYAKR-UHFFFAOYSA-N	486.037	5.225	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466880	WBHYAFNBRVHHET-UIOOFZCWSA-N	488.060	6.019	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223759250	OHNSCONHDQLKKU-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(=O)O)c1	223860413	LWFJHKURSNVXKH-DQEYMECFSA-N	484.581	5.070	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224304958	TVLHKTGRKQJNKW-URLMMPGGSA-N	480.681	6.900	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224900768	GYXBEJKTODOOOX-RRPNLBNLSA-N	486.616	6.122	10	40	JKCB	
COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1	408571230	AKYNBGNABKXNQX-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408741596	KABKJNJAKPOBQE-ZROIWOOFSA-N	472.678	6.252	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3c4ccccc4cc4ccccc34)C2=O)ccc1Br	408761018	BTDXZRHKAHNHSI-HYARGMPZSA-N	485.337	5.730	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	408786479	QQXJDOBELLRVQI-ONUIUJJFSA-N	496.563	5.198	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1	408817830	UPCYYZPICKFNIY-QGOAFFKASA-N	467.308	5.239	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Br)cc2)cc1	408846536	SVBMHTXQOFGYRO-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1	408857846	QEEKHUCZEOJABM-XNTDXEJSSA-N	491.783	6.047	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccccc2Cl)c1	408898778	MZDYZBYDKKUXQR-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cc(C)cc(C)c3)C2=O)cc1	408899305	OGCZWFSELDGVNO-ITYLOYPMSA-N	498.579	5.728	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408909631	HUSTZUBWWLPHSO-KEBDBYFISA-N	485.298	5.378	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC	409052599	ISKQYMRRPCLYHF-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409078067	HNFQXTUOYWIOMD-LELXDKESSA-N	480.438	5.953	10	40	JKCB	
CCOc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O	409100751	UYCGBEPQDKMYRG-PXLXIMEGSA-N	478.570	5.883	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(=O)NC1=S	409232686	OUJSCNMBGOVULY-WOJGMQOQSA-N	484.408	5.541	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OC(C)C	409345485	ITEINUUJPOKPJI-RGVLZGJSSA-N	464.008	5.940	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)o2)cc1Cl	409350395	YFBURHJTGIVTFU-VCHYOVAHSA-N	459.907	5.843	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	409399579	JTEAYVFJASSRET-JLPGSUDCSA-N	454.913	5.534	10	40	JKCB	
CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[C@H](C(C)(C)C)C2	935477	AWIYWJWLKILPGQ-IFXJQAMLSA-N	486.659	5.517	10	40	JKCB	
COc1ccc(Nc2cc(NCCC3=CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2294109	VGBFBMIHBICALC-UHFFFAOYSA-N	465.553	7.094	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	5949617	MBSXBJKPSHLUDN-FCASDSMHSA-N	478.430	5.731	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccccc4F)c(OC)c3)SC2=S)cc1	8722495	KQYKLGOLQPUTQE-HYARGMPZSA-N	495.553	5.468	10	40	JKCB	
Cc1csc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)n1	8820186	RPGVNIXYZPGTHY-WJDWOHSUSA-N	466.053	5.505	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N=C2S1	9008944	KNQBNMLDJBZJBK-PUKJZEELSA-N	496.423	6.272	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9293393	YAVOVQJCUJAUFU-SVKNRIHUSA-N	461.591	5.302	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)cc1	16678565	QSTLYJONQLVJKQ-UHFFFAOYSA-N	463.965	6.320	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	20073524	YMEFESPWCTXYTB-BUVRLJJBSA-N	495.004	5.476	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S	20324779	RYFVLIYFNQZXFS-UNOMPAQXSA-N	458.029	6.940	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(F)cc1	40007090	MYPPWVXKZPSPMY-ITYLOYPMSA-N	478.523	6.248	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)c1	58849974	MYUBJGSWUOQJJF-YZUZCNPQSA-N	465.506	5.361	10	40	JKCB	
CCCCC1(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	59498136	HZWUVAJJTXYXKP-UHFFFAOYSA-N	486.528	5.095	10	40	JKCB	
CCOC(=O)c1cc(N/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)ccc1Cl	97944360	IVGVZJCVCZAJNM-ZROIWOOFSA-N	487.170	6.195	10	40	JKCB	
O=C1/C(=C\c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC(=S)N1C1CCCCC1	101094932	GSTGRTVQRHACEQ-CCSPBUMRSA-N	491.560	7.360	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2ccccc2Cl)cc1	112297909	CKMHVSBBBOSUMC-KQWNVCNZSA-N	476.920	5.072	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21	208218757	OYTUQNOYBFOALR-OFNOZLENSA-N	484.021	5.737	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208325023	KRZGQZNFSKACMY-IXOWOOARSA-N	475.658	5.555	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21	208474620	RIAZUTMTJKJLHB-VCHYOVAHSA-N	486.424	5.456	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	223054720	HNCGDEBDRTUIQE-PKTZIBPZSA-N	499.478	5.261	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@@H](C)CC1(C)C	223536674	YLXSMYPHPPHMQB-IQGJIOQQSA-N	486.399	5.772	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223615449	SMWVHMCBHRXBKV-QCYAWUEASA-N	491.657	6.171	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224335108	FCRZOLLSMQDCKJ-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366882	AFZBPWHLSRQSBO-IHLOFXLRSA-N	494.708	7.352	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224875350	SXGIPVHSOGBCQI-BJKOFHAPSA-N	490.032	5.729	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)O)o1	408634490	VGQUHZGZJCLFIV-DEDYPNTBSA-N	471.966	5.607	10	40	JKCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cc(Cl)c([N+](=O)[O-])cc2Cl)o1	408768697	JVOGZELLBLRCTM-UHFFFAOYSA-N	452.246	5.305	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)cc2Cl)c1	408812352	SILJMUMTYTVDFO-RGVLZGJSSA-N	497.334	5.247	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)c1C	408930979	FSFKYUXRVFWUTM-QRVIBDJDSA-N	477.561	5.525	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)c1	409334893	WVPFMDDDGHNODK-CIAFOILYSA-N	450.541	6.186	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409349834	WHEFCJMOUDTYIH-BKUYFWCQSA-N	473.541	7.052	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188831	XEMHMSFNRDEOOC-DIBXZPPDSA-N	495.625	7.464	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1O	9660134	OSSVXNIFVBTEAV-UYRXBGFRSA-N	487.606	5.897	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C(C)(C)C)cc1	9805517	AHFPLLJPEMYIPL-ZHZULCJRSA-N	455.601	5.433	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3sc4ccccc4c3Cl)c2C)cc1	13146342	AGEJRUUFIRRIEE-UHFFFAOYSA-N	453.947	6.011	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	35352201	AUWTWOIOYYONHB-XGCFFSCVSA-N	498.052	6.346	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2Cl)cc1	138889182	ZSTSDYOZKWMMHZ-UHFFFAOYSA-N	461.743	5.306	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)c1	215092249	SHEQXDYOPGWVHC-YBFXNURJSA-N	484.327	5.644	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223102654	UURMQBKSPIKTRP-CLJLJLNGSA-N	479.093	6.756	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223533719	OHEORSGTMQUNPD-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223541122	NRFWBVCVCQOAPN-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)nc1	224021541	HNIPUEDXKPDPQT-UIOOFZCWSA-N	483.597	5.098	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172124	LHHIFUSYASJWHO-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224267078	YWKCVOCLVJICPT-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224308349	SYJQUSRPVFLDMH-FTJBHMTQSA-N	467.642	5.987	10	40	JKCB	
CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1NC(=O)C(C)C	224343714	YVIFFKTZQXFMIZ-UHFFFAOYSA-N	468.600	5.035	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	224798637	IYXKURUIJGAGTP-CLJLJLNGSA-N	485.613	5.078	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224897901	YBKJVXNLVXVPLC-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C(=O)O)cc1	225017527	DOXJARQDFHSPJL-DNQXCXABSA-N	460.603	5.102	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408538792	QVBVIHJARMJPLF-CPNJWEJPSA-N	470.953	5.283	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1	408757736	PXMXMJQJKYAOHL-IWIPYMOSSA-N	456.546	5.089	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1	408795472	CFBMGYVLFBVOPC-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)C1=O	408816809	USMMIQHMEFWREV-XQNSMLJCSA-N	496.950	6.047	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408959745	FBNSHZVDLIVEFZ-UHFFFAOYSA-N	451.526	5.179	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409053514	KMKYMIXMAYCKQZ-UCQKPKSFSA-N	460.961	5.933	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1	409247511	HWRSCDURHXOMNA-JJIBRWJFSA-N	486.641	5.080	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Br)c1OC	409339755	XUWMZJWPZRVUTA-LDADJPATSA-N	493.448	5.328	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1	409348552	OOPURAZULRZLKI-WJDWOHSUSA-N	467.353	5.096	10	40	JKCB	
Oc1c(Br)cc(Br)cc1C1N(c2ccccc2)CCN1c1ccccc1	3077502	GUWAMKHOXDWCLP-UHFFFAOYSA-N	474.196	5.943	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)c1	8819178	CQIMTUHJCNYDJZ-QGOAFFKASA-N	491.432	5.078	10	40	JKCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nc(-c2ccccc2)cs1	8820381	YGIPJBWRUVFNRY-FWANDEGBSA-N	463.609	5.206	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821383	HQEXWXRFNZDMKJ-SCWSXOCZSA-N	476.019	5.620	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	8821493	GCGYULWCDHWGPB-KGENOOAVSA-N	466.540	5.307	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9309251	DNKQFVMKEKZXKS-KKUQBAQOSA-N	496.006	6.389	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C(=O)OC)C3=O)o2)c1	9310422	PURYYCVVYVOIHY-KGENOOAVSA-N	493.562	5.316	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	9845907	VAOMTCZYYLXHRP-UQQQWYQISA-N	454.570	5.978	10	40	JKCB	
COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)coc2c1	13147797	WPSRRMAZCYCPSI-UHFFFAOYSA-N	485.458	5.836	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	17150202	VQHQFLHSXAUSRG-XKZIYDEJSA-N	495.406	6.274	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1F	59418250	FHDMOSZCLVKZRB-YDZHTSKRSA-N	483.561	6.348	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208226259	LBTNAWHDQGHXSL-QRAWFLTRSA-N	477.630	5.700	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc2C(C)=CC1(C)C	208523107	PRUQMHPQGGPGBI-FMCGGJTJSA-N	466.050	7.061	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(Cl)ccc1O	223089488	BVZLQFAEVJISRT-LOSJGSFVSA-N	481.065	6.153	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223608781	ZJJWDYVWIBNFKK-NNIWKIFQSA-N	463.553	5.301	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1F	224367154	FGQUXZQHGNLBMI-NSOVKSMOSA-N	484.644	6.929	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Cl	224432939	JVUOZTIJOKQRJD-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)SC2=S)cc1	408571583	BSJCRAQNQMRJDA-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
O=C1/C(=C\c2ccco2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1	408765804	YDMREPBMCRBYDA-SFQUDFHCSA-N	483.774	6.745	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)c(C)c1	408804813	BLTAUXJFIDWUDP-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1	408874689	FGNDZYZEIZRNDL-HYARGMPZSA-N	490.943	5.005	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	409005903	GYLGSHSADJROJW-YVLHZVERSA-N	498.851	5.911	10	40	JKCB	
COc1cc(OC)c(C[C@H]2SC(=S)N(CCC3CCCCC3)C2=O)cc1Br	409142981	MJMRDFWBQJUSOQ-GOSISDBHSA-N	472.470	5.208	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC	409176405	MOYIFQSJCUEJFV-NDENLUEZSA-N	465.999	6.463	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1c1ccc2c(c1)OCO2	409338718	OXPUOBATBCSDTJ-WGARJPEWSA-N	497.597	6.553	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1c1ccccc1	409342502	FLKABGLLOBLGNX-FYJGNVAPSA-N	472.418	6.978	10	40	JKCB	
CCOc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2cccc(C)c2)cc1	1263497	XNZLTMRVGYHIPD-UHFFFAOYSA-N	461.543	5.028	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1	1801876	NVHKPQHBCKPTTO-HMAPJEAMSA-N	474.632	6.026	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc(OC)c1OC	2442428	YNOYQQKEFISCQN-PXNMLYILSA-N	489.924	5.790	10	40	JKCB	
O=C(Oc1csc2ccc3c(c12)C(=O)c1ccccc1C3=O)c1ccc(Br)cc1	3845284	BKKNTUCYDAIQQW-UHFFFAOYSA-N	463.308	5.658	10	40	JKCB	biogenic
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1cc(C)c(C)cc1Br	8437856	IEXGTDUXMYFASR-YBEGLDIGSA-N	477.200	5.855	10	40	JKCB	
O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N(Cc1ccccc1)c1ccccc1	8763427	WQLCHOVVCBMUTO-ZHZULCJRSA-N	450.610	5.183	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821372	FBZPMZHRHJBETB-HMAPJEAMSA-N	495.025	5.394	10	40	JKCB	
O=C(Nc1cccc(Br)c1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	8826635	PXUHBVXDRJNFCJ-UHFFFAOYSA-N	478.349	7.104	10	40	JKCB	
COCCn1c(Cc2ccccc2)nnc1SCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	9127162	AVETVQFTZGQOIO-UHFFFAOYSA-N	478.593	5.037	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F	9159776	DCSFPCKYJQGHCH-LKYSWNIESA-N	477.609	6.213	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1	9188373	SYAPEWLKRKWIFJ-JLPGSUDCSA-N	460.624	6.046	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9292046	OZAZBQVFIUXXQF-LKYSWNIESA-N	494.064	6.727	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c(C)c1	16790808	KHHZWXULWWUCQF-YQIGTUNFSA-N	452.514	6.363	10	40	JKCB	
CC(C)(C)c1ccc(-n2cccc2/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc1	32109734	KUUXUZUXWCCWCD-RCCKNPSSSA-N	463.990	6.100	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(I)cc1	32109790	DSMYIASEFSPBFE-YVLHZVERSA-N	466.344	5.143	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)cc(Cl)c1OCCCOc1cccc(C)c1C	33458219	GNNFQTDNTPDMNC-BWBREFNUSA-N	498.992	5.062	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)S2)cc1	34737743	PSKDTEAWTUYTHO-UUYOSTAYSA-N	469.393	6.963	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58846963	BBDMBVISWFAHNE-XLNZFTOWSA-N	454.954	6.106	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1cccc(C(F)(F)F)c1	59418159	MSYAITLFRVMQJE-CIAFOILYSA-N	489.515	6.829	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1	169616512	RPQFBESSZOJUTR-GWMMUDDPSA-N	487.599	6.546	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O	208255628	FXADDSDOPNLKRK-VBHHZLGVSA-N	498.048	6.045	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(O)cc1	224015379	LDDBETIPWRYHAI-CLJLJLNGSA-N	484.581	5.101	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408882403	MYSKTYIVQVZTAW-DEDYPNTBSA-N	485.754	5.904	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408884138	SUCVIDMXWWYJPE-NDENLUEZSA-N	483.376	5.404	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O	408884280	XOTCRKXFDWYGKJ-ITYLOYPMSA-N	476.532	5.648	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1	408966124	LLESEPQEJQOQSW-IWIPYMOSSA-N	474.582	5.816	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)O)c2C)o1	409033554	FMTBTEFQFQLUNM-RIYZIHGNSA-N	476.357	5.455	10	40	JKCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1	409133499	MSHSYVKNHCBEHC-KOEQRZSOSA-N	488.609	5.858	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c(C)c1	409148364	YRGMRICQWYCFHD-KOEQRZSOSA-N	488.609	5.858	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	409182826	OKFZLDXKFHTZAN-VXLYETTFSA-N	490.921	6.062	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1cccc(C)c1	409204786	KFJPQHADZRAALQ-IWIPYMOSSA-N	478.639	5.928	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc2c(c1)OCO2	409208158	BMNZCLNKHKQLPT-TVPGTPATSA-N	455.300	5.036	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409208296	BXURHJJMMLWGSB-JJFYIABZSA-N	496.541	5.727	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1Br	409216724	KRXODLCKEWTQBB-RGVLZGJSSA-N	487.806	6.751	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl	409239323	MSXFHMPBCJJMCE-GZTJUZNOSA-N	454.313	5.067	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc(Cl)cc1	409384161	AIICSKDDMCFCOT-PJQLUOCWSA-N	468.770	6.159	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(F)c(Cl)c1	1181158	LGHQUHZBRHPPAM-CXUHLZMHSA-N	455.363	5.363	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)N(C)C(=S)N2C)cc1	3281001	CKFPVLHZQOMTRQ-JOCHJYFZSA-N	490.595	5.668	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	8442654	RPQFBESSZOJUTR-WKAQUBQDSA-N	487.599	6.546	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188803	KLYJCTFTVROUTB-MOSHPQCFSA-N	458.391	7.192	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)SC2=S)cc1	9232605	BSFCZUUNKPDBFO-HZHRSRAPSA-N	464.587	5.877	10	40	JKCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	9281160	HGFPKNBLRJVMQQ-JGJJTGRPSA-N	464.403	5.341	10	40	JKCB	
O=C1N=C(S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCCCC2)cc1	9358841	MGFMXNXCHZGZFV-XSFVSMFZSA-N	484.419	5.072	10	40	JKCB	
CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nnc1-c1ccccc1OC	9509152	MNGMJJSCBJLFIZ-UHFFFAOYSA-N	464.566	5.495	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O	11867308	MSVQRQDUIPRIMZ-QLXKLKPCSA-N	452.620	5.894	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc1	13750980	LMPNKRIJHHBZDS-CJLVFECKSA-N	497.473	5.019	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1	13810696	PKMKSBKEVIPAQK-MNAJPBKWSA-N	470.598	5.894	10	40	JKCB	
Cc1ccc2nc(S[C@@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)[nH]c2c1	14357281	DOJCJBNHBFNYCE-INIZCTEOSA-N	455.530	6.244	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	15218470	XEDPWZUJSGAHKG-ZRCGQRJVSA-N	464.790	7.160	10	40	JKCB	
O=C(c1ccc(Cl)cc1)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)s1	16401132	UGNASXWJIDOKFW-WCWDXBQESA-N	456.911	5.793	10	40	JKCB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)c1	19791757	KWHQULMVYBEZAL-MRXNPFEDSA-N	461.480	6.301	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCCCOc1ccccc1C	33430242	LCNNUZNANBPBSG-QNGOZBTKSA-N	492.062	6.116	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1OC	33431770	QRUQVYMQHNYIJS-XQNSMLJCSA-N	487.643	5.335	10	40	JKCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@@H]4c4cccnc4)c3oc2=O)cc1OC	36585124	PEUFLPNSKMVHRY-HSZRJFAPSA-N	472.541	5.305	10	40	JKCB	biogenic
Cc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	41108435	VZTUVINHSMRUEF-XRRPQMRDSA-N	463.563	5.157	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	41108487	XIMPSWYLHQKNQQ-NWSLSDTJSA-N	453.999	5.803	10	40	JKCB	
CCOc1cc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	58928666	BSTIBKLULKVBFN-UQARTHHBSA-N	474.000	7.347	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)o1	107608408	BADGQMMLGPVCRF-OEAKJJBVSA-N	492.597	6.008	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c1	215145766	VVZGLQSIMIAGLW-VXLYETTFSA-N	457.866	5.674	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232838	HOMISWHFSZPLIA-DQEYMECFSA-N	498.096	5.075	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224201817	HZFNOCOFZZDPRP-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403121	UNFCJIHXNDHLDC-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607881	BTKHLHLYVKMUDJ-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408640254	IFKGFQGBJWRCFE-FQEVSTJZSA-N	452.510	5.632	10	40	JKCB	
CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408650194	ZUWJVTOACNSQKC-QFIPXVFZSA-N	450.538	6.186	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C1=O	408808560	MNMKHDGAHBRNIR-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCCC1	408847853	WDOUWMYAALTBAU-SFQUDFHCSA-N	476.429	5.748	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)c(C)c1	408869674	SXTWEAIYNMNJEY-UDWIEESQSA-N	462.908	5.353	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)cc1	408883684	UISVXTVEZZCVMF-YZSQISJMSA-N	494.522	5.787	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccccc1F	408896801	SXPNBCCLLSOZQQ-KGENOOAVSA-N	488.515	5.087	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408968152	UMMHKJQOGXVGLC-IWIPYMOSSA-N	462.590	6.767	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C4CCCCC4)cc3)C2=O)cc1	408987858	ZIJWNNLYZYOKLX-LHLOQNFPSA-N	484.039	8.258	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409030931	FSAZEYIALAWOMG-SXGWCWSVSA-N	479.836	6.249	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1	409043394	MDAPWWPNOYMUDE-MDWZMJQESA-N	491.372	5.973	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	409084795	XZJHUWCAHFRJJH-LELXDKESSA-N	494.009	5.447	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1Cl	409094247	CRLJXRNPMYZWQA-RVDMUPIBSA-N	488.758	5.721	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3C)c3ccccc23)SC1=S	409148853	SUKYSEYHXSKTHA-KQWNVCNZSA-N	466.628	5.266	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409195723	RUQDSGGICFIUMF-JAIQZWGSSA-N	475.561	6.069	10	40	JKCB	
COc1cc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1ccccc1	884978	IFWWJDZSBKBGII-WOJGMQOQSA-N	469.324	5.042	10	40	JKCB	
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccc(C(=O)C(=O)c2ccccc2)cc1	3348597	IFASKRYVKYZZIG-UHFFFAOYSA-N	485.898	6.028	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1	8453081	SXJVCWVTTSDFSG-HACRSSKKSA-N	498.992	5.226	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1	8915965	SIGHFWGPZJEVMO-AQTBWJFISA-N	494.432	5.137	10	40	JKCB	
O=C(O)[C@H](CCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12	9678916	STNFNTWPMGRDOV-NDEPHWFRSA-N	486.575	6.847	10	40	JKCB	
Cc1cc(C)cc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	9762299	GSPXJRGRKNCVGN-ITYLOYPMSA-N	489.662	6.553	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C(F)(F)F)ccc2Cl)c1C	12559182	PAZQYVGXUWFKGD-NDENLUEZSA-N	457.883	6.572	10	40	JKCB	
CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)cc1	13025237	YLINRSKCIIGOOM-SANMLTNESA-N	475.589	5.191	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3[N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1	13945113	GUIUHABAXIRUTB-HMAPJEAMSA-N	462.552	5.575	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C(=O)O)cc2)N3)c(C)c1	14165945	ANRGVJNHFLVTQT-UFPGJGBJSA-N	474.582	5.629	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OCC)cc2)N3)cc1	14480642	SPJDHWXBDSDBOH-BXTSTYNKSA-N	490.625	6.111	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1	16678611	HLSYDMFNKXRMPL-UHFFFAOYSA-N	454.357	6.900	10	40	JKCB	
O=C(COc1ccc(Cl)cc1)Oc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1	33590869	AELAKZISYYLYIQ-KGENOOAVSA-N	488.030	5.858	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)OCc1ccc(Br)cc1	96401995	RTUNMPJUNNRRPQ-LLLGHMJXSA-N	488.428	5.340	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223313226	LRRBDBYXWLCSFZ-HDYLNDSGSA-N	460.647	5.257	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223419281	HVMWFNSDLJEZEN-IZLXSDGUSA-N	482.653	5.979	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223615271	CPHPWLPABBSGLB-WTZXFZKGSA-N	493.629	6.640	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224531920	XGKZBLWCLKDIMW-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2sc3ccccc3c2Cl)c1	408758308	IPJMXVKQOHGJOB-CJLVFECKSA-N	472.013	6.764	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(F)cc1	408780146	TVISLZJKODMQKR-OEAKJJBVSA-N	488.515	5.087	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	408812273	LMFYTKDYFCOGPB-FYJGNVAPSA-N	494.906	5.123	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(Br)c(C)n(-c3ccccc3)c2C)C1=O	408848580	RCOWYHQOFSBFQK-XSFVSMFZSA-N	492.373	5.085	10	40	JKCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408872235	BPAVNKLHDGFGEI-UDWIEESQSA-N	496.306	5.159	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)c1C	408884988	WIPAMINIEXWIGW-KOEQRZSOSA-N	478.523	5.853	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O	409041095	IGDGJGJBRZAQRH-OVCLIPMQSA-N	467.736	5.410	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409081359	PPLQHTOCLQUSKG-KGENOOAVSA-N	487.364	5.567	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409085383	SEWHKCOTCKOXBS-DZGUVLCISA-N	498.428	6.092	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1	409093812	AIKVDIKOSOVYFD-LPYMAVHISA-N	473.554	5.965	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O	409104961	GZILKFIIJMPXOV-RAOBZKRQSA-N	483.351	5.990	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409144992	OWGLMCWPXBZUSI-ITYLOYPMSA-N	456.611	7.383	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409175658	AKCYELUUGYOLJO-GIJQJNRQSA-N	495.340	6.707	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1O	409204993	MWKZSJRVFMVRID-NVNXTCNLSA-N	470.797	5.613	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1O	409328629	ZDBDPQBVAUPXSI-VIZOYTHASA-N	456.770	5.223	10	40	JKCB	
O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1C(=O)c1ccccc1Cl	409330857	CFXXCPTZNMMCGZ-HMAPJEAMSA-N	459.979	6.688	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCC(=O)Nc1ccccc1	409346614	NGFOLBJJTNLOMM-LPYMAVHISA-N	494.569	5.258	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409370229	NFRIQIJKJOTRJU-JAIQZWGSSA-N	492.428	5.450	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	8454141	WYUBHUPJBJOLMI-KBVAKVRCSA-N	489.663	7.368	10	40	JKCB	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC1=S	8825473	RLTMDFNCFSWTLX-OQLLNIDSSA-N	475.897	5.685	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	9290784	KGCZTQNLWJZSDV-IHRLJDSVSA-N	488.444	6.600	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)o2)cc1	9805390	LCVXXUFDLHSONK-STZFKDTASA-N	465.552	5.538	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4ccc(C)cc4C)c4ccccc34)C(=O)N=C2S1	13810678	TUJFDLQBBKSDQS-JHKOBTARSA-N	470.598	5.894	10	40	JKCB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1	27519440	HIPDNOMNUHWRTH-FCDQGJHFSA-N	459.505	6.810	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	33333382	GBZGRFIGVDPDQJ-UDWIEESQSA-N	482.309	5.502	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)c(Br)c3)S2)cc1	34857129	QRDLIRQTNHMTFD-XKZIYDEJSA-N	497.389	6.558	10	40	JKCB	
CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccc(N(C)C)cc1	58268740	VNLYDSHDZQRNIU-AREMUKBSSA-N	478.596	5.657	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1C	59135321	PDMHQYXYQROCAJ-RGVLZGJSSA-N	451.885	5.702	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1	100525130	XTMIGRNNAPGXJU-AWZKZOKMSA-N	485.323	5.356	10	40	JKCB	
C#CCOc1c(Br)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Br	108047489	XRXOXZDPZATDKT-WJDWOHSUSA-N	492.192	5.306	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1	112295154	GPDGVBBATMODIU-BWAHOGKJSA-N	456.502	6.276	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(F)(F)F	222827700	KELMJOBQWJKFJF-FCHUYYIVSA-N	458.553	5.889	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cc(Cl)ccc1O	223489945	XNAXAISIIGSYMP-LOSJGSFVSA-N	490.032	5.416	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C	224274009	OANBGOPTKOUZKF-FTJBHMTQSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Br)c1	225016155	LUACHVLJCQJQCP-DNQXCXABSA-N	495.490	6.167	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020465	DBMXZHOKICZZTL-RPBOFIJWSA-N	491.617	5.321	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225042680	GXSUOGFOJXJVDA-VMPREFPWSA-N	495.696	6.272	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1	408756845	UIGYSEWBXQLSNH-UDWIEESQSA-N	465.278	5.121	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)cc1	408760650	CIQJACOYIXDTBB-RCCKNPSSSA-N	476.960	6.927	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)S2)cc1	408785113	YLHZLQWZQRUOPZ-RAWKODRKSA-N	479.649	6.923	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O	408804011	BWGVNASYJZQKIF-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1	408940775	OQVJQXQYYFZEKZ-FYJGNVAPSA-N	460.917	5.370	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)cc1	408981768	BQEVOBVNJFWGNP-IMRQLAEWSA-N	476.532	5.648	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409138573	DWEIBQONLRBMMG-WSDLNYQXSA-N	496.972	5.447	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)o2)c1	409217929	RRGJODLGHNDZMW-MOSHPQCFSA-N	453.903	5.577	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409338392	JDKSMSASZOBDOQ-KGENOOAVSA-N	450.541	5.943	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9193208	ZLPYJQCYMBSKFD-VTGHKQSHSA-N	465.538	5.508	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)c1C	9292320	REFWWKJTNNUPKF-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	33788370	HDYQFBUGGHBZTQ-FSWFDUBRSA-N	469.614	6.303	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1Cl	33916992	QJGFJQXTVZIGMC-NIZMMVCKSA-N	477.952	5.554	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(F)c(F)c1	35623020	JQIBURAOXQNVKD-SFHVURJKSA-N	478.336	7.098	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(Cl)ccc3OCc3ccc(F)cc3)C(=O)N=C2S1	41083447	ZNCKQTXYFLKKTL-MPZQNCSBSA-N	456.930	5.477	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C(=O)N=C2S1	41108489	FUFHFONDQRHOKC-RFNDTBEZSA-N	498.450	5.912	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2[C@H]2C=CC[C@H]21	58848134	HHKADLGQDCHTEW-UNVFRBQDSA-N	481.017	6.284	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)o2)cc1	59137821	CCECEDPUNVFZMV-LDADJPATSA-N	454.960	6.064	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418244	SLTVVNDGEVZHCM-FYJGNVAPSA-N	466.515	5.719	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2[C@H](C)CC1(C)C	208327064	ZLMORNWGWLHZKT-SDLXJUDFSA-N	459.590	5.390	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1	223996076	UVSIIMBCTNEVLL-SVBPBHIXSA-N	497.624	5.325	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224904581	KJPYCYKJFDNWQK-IZZNHLLZSA-N	471.605	5.817	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(=O)O	225017245	KSLDVIVUVHUKOG-RPWUZVMVSA-N	460.603	5.102	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCN3CCCc4ccccc43)c2)cc1	225746537	PDGLSXNWSWOOEC-UHFFFAOYSA-N	485.697	6.344	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2Br)N1c1ccccc1	408759741	KQFSZJNZVFHKFS-UDWIEESQSA-N	472.169	6.590	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Br)c(C)c3)C2=O)cc1	408765333	XUTVNKITFPPHGO-RGEXLXHISA-N	480.789	6.891	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1cccc(Cl)c1	408803331	NQVZXOCITLXGAD-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1	408887976	VSVUSULSMQZZFA-VCHYOVAHSA-N	485.298	5.378	10	40	JKCB	
CCCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cccc(C)c21	409044752	HOWQOXRAMHBZAK-XNTDXEJSSA-N	461.434	6.170	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Br	409167409	JQUOVJGPWLPNQJ-XDHOZWIPSA-N	470.754	5.607	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)c1	409349019	UBYIOXYVQHJBME-LPYMAVHISA-N	484.067	7.047	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1	409370241	NKJLCERQESKLPM-IDUWFGFVSA-N	477.394	5.572	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2403509	UOTLQWWENXVTCJ-JCMHNJIXSA-N	484.408	6.046	10	40	JKCB	
CCOc1ccc2nc(SCC(=O)NCc3c(C)c(Cl)cc(C(C)C)c3O)sc2c1	3624930	WPXYHLADJROXCJ-UHFFFAOYSA-N	465.040	5.894	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	6600520	LYGQZKIMIOATJL-CJLVFECKSA-N	461.564	5.710	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9015999	XHKPDCUZMCTPBC-ZNZIZOMTSA-N	496.006	6.389	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(C(C)(C)C)c1O	9188553	CHVRDYAYCUNPCI-ODLFYWEKSA-N	494.509	7.700	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	9291631	QCMXYJHYDWKLIL-DJLIDFDYSA-N	469.570	5.079	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	9309818	YUXIBZFAKNLUOF-XDXPSGJKSA-N	491.617	5.311	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)o2)cc1	13751661	RLRPYQWCXXWDMB-OIYMOPNQSA-N	478.643	6.719	10	40	JKCB	
COc1cccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	16001099	VCOGBTMTISMTDJ-NXCFDTQHSA-N	483.951	5.371	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1Cl	20238580	HFLOJLGOZDKVAV-WQRHYEAKSA-N	465.849	5.632	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	26593383	FOMONYZKWRNGOS-YBFXNURJSA-N	473.743	5.687	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	33756782	PYJHDWKJYDOGBJ-RQUXIJKASA-N	453.999	5.865	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1nnc(-c2ccc(Cl)cc2Cl)s1	103646668	PYOPHHUIBPRCPM-PDGQHHTCSA-N	480.380	6.384	10	40	JKCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222786085	LATPUTAHZWZMQP-SFTDATJTSA-N	455.425	5.244	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1C	223388593	PPTPLFPYYNXZMJ-VSGBNLITSA-N	466.654	6.279	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cc(Cl)ccc1O	223850618	KGTALTFLXZNUKH-DQEYMECFSA-N	491.016	5.731	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(F)c1	224013304	JWKKHCTUCCLYGZ-IZZNHLLZSA-N	486.572	5.534	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	224207410	MMOTZNKCTAMQGV-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc5ccccc45)c3C)N21	260788350	ZBCARHXODNSYBK-AIGMYPEUSA-N	452.627	6.622	10	40	JKCB	
Cc1ccc2cc(C3=C/C(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)C(=O)O3)ccc2c1	408757514	YXDLQLIUQCNQDO-QRVIBDJDSA-N	474.387	7.844	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2Br)cc1	408777706	GKICJLRQNOFCRF-XMHGGMMESA-N	461.315	6.137	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc34)C2=O)c1	408798509	JAGBMGPCMACIFZ-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Cc2ccccc2Cl)c1	408879665	CIHCBMYLHLSVRN-FYJGNVAPSA-N	495.362	5.568	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2ccccc2C(C)C)N[C@H]1c1ccc(N(C)C)cc1	408992591	UGDNJSXCNKKLTI-VWLOTQADSA-N	494.661	5.085	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)cc1	409014779	JMEURKNVVQMGPP-CPNJWEJPSA-N	468.987	5.782	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	409018513	XCGCCPLCXZXOGY-OVVQPSECSA-N	463.537	5.770	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409055857	LEBHSGXVCRHJOD-HMAPJEAMSA-N	490.987	5.942	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(F)cc1	409197760	OHVGMGXSGJNDFM-XKZIYDEJSA-N	468.575	5.369	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	409205782	KAKRJZKRUJGZCZ-WQRHYEAKSA-N	464.406	5.652	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc3ccccc3c2)SC(=S)N1Cc1ccccc1	409330064	KDIYXNPKLDGPNO-YZSQISJMSA-N	467.615	6.820	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)SC2=S)cc1	409349791	WETAJNIVASZGQV-IWIPYMOSSA-N	495.597	6.218	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3Cl)N(c3nccs3)C2=O)cc1OC	2435118	PLBVBOVNFVVKJK-CXUHLZMHSA-N	460.342	5.302	10	40	JKCB	
COc1cccc(OCCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)c1	8684680	HDVLECVBHRSMFN-WOZVDNMVSA-N	472.570	5.286	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	8821347	NHZZTEASMZJWHJ-IWIPYMOSSA-N	459.592	6.182	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	8952226	TYEMATUKFKXUNU-VHVXKRGMSA-N	456.542	5.119	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087945	SUMIHMPKXQSMDL-DSNGMDLFSA-N	488.370	6.016	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(I)c1O	9233141	DCTGFGGBPMKZIK-CXUHLZMHSA-N	497.379	5.028	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)S1	12463434	FQFZWGMEUQGCDR-LZYBPNLTSA-N	455.750	5.332	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)cc1OC	13893544	APHBWWBVVANIKR-STZFKDTASA-N	464.974	5.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)cc1Cl	41082952	XSIMVPBTKVCWQZ-XSHSNWJLSA-N	453.999	5.721	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2	58846173	DRGHLELMSSIWHG-BOCWGRARSA-N	488.653	6.664	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1C	58846564	AOYLJQDYHWOTQG-UZINWLIJSA-N	475.570	5.839	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	103918219	VKGHZIXYIYWMCF-HFTWOUSFSA-N	482.584	6.183	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c1	214190030	NTBOHOFHZCANNV-VXLYETTFSA-N	483.885	5.233	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C	224568140	QANWEYYMAXGXLW-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1N1CCCC1=O	225657055	RFUOLQQMDBMCEO-HXUWFJFHSA-N	450.652	5.406	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)c(Cl)c3)cc2)C1	225669632	HRIJWSUGVKTIEN-HUUCEWRRSA-N	466.876	6.386	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2sc3ccccc3c2Cl)cc1	408752312	DFTDPRSIHLEJKU-JJIBRWJFSA-N	479.004	7.851	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	408800975	QPXXOUZAJIOYAP-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1	408801812	BXSMBUPMNSXPBM-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	408835772	ZGCNOFVYBSNBAE-XQNSMLJCSA-N	490.943	5.374	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(Cc4ccc(OC)cc4)C3=O)o2)cc1	408983263	ACAKONHKAZHUGY-XIEYBQDHSA-N	491.543	6.209	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	409233407	RYLSRANSZCMUSL-CIAFOILYSA-N	496.007	5.841	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409233414	SAKMZGQRDKSDQW-JMIUGGIZSA-N	460.748	6.152	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	409343207	CZJKBWITMKEAFX-WGARJPEWSA-N	489.706	6.955	10	40	JKCB	
O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409345513	JAQDAQKSJGOMIQ-WOJGMQOQSA-N	479.852	6.109	10	40	JKCB	
Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1-c1ccc(Br)cc1	2643927	NVLYUWCZZJUZBT-UHFFFAOYSA-N	473.421	5.678	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(C(=O)O)c1	8397091	DOZWOIBIHPEPMU-LRDZBDLTSA-N	484.335	5.146	10	40	JKCB	
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C(=O)OC(C)C)cc4)N=C3C)o2)c1	8451552	JDJFJJPBJPQEBM-HAHDFKILSA-N	472.497	5.105	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	8742918	BAVFUIFLBMWQBX-OHYLSHRZSA-N	485.613	5.776	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nc2ccccc2s1	8820545	TZLYPUBGKNJWFS-JXLMVQBASA-N	465.625	5.473	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	8911474	PKLBPUWUEYXPAL-XMHGGMMESA-N	489.018	5.137	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1ccccc1Cl	8993714	VKYBDMFAJWMHRP-LDADJPATSA-N	484.426	5.729	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	9427662	RBYGUUMFFCSFPY-ONUIUJJFSA-N	471.516	5.509	10	40	JKCB	
COc1cc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	9763770	KPLZRNSAZFTQBY-SIFCLUCFSA-N	459.340	5.818	10	40	JKCB	
O=C(CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)c1ccc(O)c(O)c1	9980268	UMCDBDSLLVHEPS-UHFFFAOYSA-N	489.940	5.991	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C	26675883	DEWHESKRHSDORG-HMAPJEAMSA-N	482.026	6.642	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2)cc1	27015528	ZMLIYQRPASELQH-FLVGQNKLSA-N	481.639	5.584	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1	32594592	QJGQHPFJTSBXRX-NMTARAHESA-N	482.609	5.583	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1	33707950	NGZYIOWQKNWOCJ-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1c(OS(=O)(=O)c1ccccc1)cc1oc3ccccc3c21	35325561	CMEVFWCVPQGVQT-UHFFFAOYSA-N	454.459	5.129	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	35363476	MWWLXAUYUCNWSA-CGQRCSLRSA-N	469.998	5.421	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc12	38204463	OKYRADSAXNDYLJ-ODLFYWEKSA-N	456.386	6.017	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58847961	YYXIAZHHNSTWJN-WZOHSFFVSA-N	495.988	6.184	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1	58848440	GKOOPKBICNOMON-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Br)cc4)c3C)N21	222698709	BANQDBWMQSLWRA-SXSPYAJSSA-N	481.463	6.231	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314523	SUIWYWGLAHFKEP-AMDXRBSFSA-N	481.065	5.602	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C(=O)NC1=S	223490272	ZQEYDMIIAMXBCV-PXLXIMEGSA-N	473.642	5.491	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1-c1ccccc1	224034847	NLDMWJVPFBPPEH-LOSJGSFVSA-N	454.555	5.087	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224235700	GEFDYZPPPVKCOC-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	408743789	VGGONOAQCQRQSJ-DEDYPNTBSA-N	477.900	6.207	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)cc1	408763072	DLJXLDJFCURKGN-LTGZKZEYSA-N	457.986	6.455	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1C	408799977	MGBCHGWFRMSVNQ-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2Cl)cc1	408806032	AENDAOGNMCDKFZ-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(C(F)(F)F)=NN1c1ccccc1	408970957	FFGYFTYXXHBYJJ-STZFKDTASA-N	467.403	5.522	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Br	409084790	WCSMIOITOHTWOQ-PGMHBOJBSA-N	461.359	6.072	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	409174329	SBOPCTJYOLBIGZ-GRSHGNNSSA-N	473.934	6.152	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCc1ccccc1	409221083	KQSLPBFYUIIRDY-UDWIEESQSA-N	492.984	5.067	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S)c1cccs1	409346582	LMLQGANMFPIUPR-CXUHLZMHSA-N	491.959	5.116	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cc(F)cc(F)c1	2512762	UPKKNEBAQDECCT-GOSISDBHSA-N	478.336	7.098	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4cccc(C)c4)c4ccc(C)cc34)C2=O)cc1	9763046	FJYLUUQXTDHGKD-QQXSKIMKSA-N	493.563	5.290	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3C(=O)c3ccccc3)c3ccccc3C2=O)cc1	12548775	PWDHNZXIYMKSKK-OOAXWGSJSA-N	488.543	5.956	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc(Cl)c1OCc1ccccc1	13898860	PTXODTNUZPOFEY-UCQKPKSFSA-N	496.053	6.950	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(CCC3=CCCCC3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	17251739	YUOKVSNAVXPMKU-JCMHNJIXSA-N	451.567	5.591	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCc1ccccc1Cl	26608602	HSSOHLHFTGYGDQ-UXMLFEQVSA-N	468.966	5.347	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)C(=O)N=C3S2)c1	41076705	FANYHFNMHMGEFI-OSZNWEDFSA-N	471.498	5.139	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nccs1	44085827	PAPGJFDZXIDPBG-UHFFFAOYSA-N	451.415	5.156	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1C	58846522	DVCPJVVIDCZFCE-UZINWLIJSA-N	499.463	7.238	10	40	JKCB	
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58849193	UZIZDBKSKIINSD-PVTPYKNESA-N	494.616	7.106	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1cccc(Cl)c1	59418124	ADUQITCRLQFPAI-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)c(Br)c1	100525060	KZUSJIGBRFTNLA-WWDJGNSZSA-N	468.380	6.064	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1	208472856	KHYUTEOWOMFBBL-UDWIEESQSA-N	496.032	5.202	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223583395	DSBHDFOHHIJGRM-HUCUOGIVSA-N	465.594	5.078	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(=O)O	224168089	CKLUPHBHWIOTDX-LOSJGSFVSA-N	468.582	5.364	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172637	BIBBEDNQGCLRPF-UIOOFZCWSA-N	499.596	5.583	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	408574660	MDYAGQLZRCYSIK-JCMHNJIXSA-N	474.607	5.727	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)c1	408600551	CXZYPXAREHVHIZ-LPYMAVHISA-N	469.990	6.772	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(OC)cc(OC)c3)n2CC)C(=O)O)cc1	408634355	USDIRMHPDRKYFZ-XKZIYDEJSA-N	482.606	5.046	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	408782262	GIESTAGXOFGHEE-VPBNWZFVSA-N	470.569	5.537	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c(C)c1	408807549	DCELHMURYCXVPW-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)c1	408872083	KDVLPRHFECKMFU-YZSQISJMSA-N	464.496	5.545	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	408881455	LENODBSGAOLNAW-GHRIWEEISA-N	467.308	5.239	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O	408888624	XZXYTUUZCACKOA-CIAFOILYSA-N	464.880	5.033	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)c1C	408893859	NVXAGKWPWDQLGT-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21	408903698	WOZOFXVQQRHJBB-BXUJETTOSA-N	466.335	5.041	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(F)c1	408942962	RHNYDIRIBAEPDE-LPYMAVHISA-N	492.934	5.899	10	40	JKCB	
CCOc1cc(OCC)c(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Br	409149315	BIQDSKOEQOVNAD-FQEVSTJZSA-N	494.476	5.261	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	409174305	RMRUNZLBQJHKIN-HMAPJEAMSA-N	472.006	7.217	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1	409181425	CRVFQVMZYNEZIH-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1	409218798	KYBOLTCXMCYZEJ-LPYMAVHISA-N	495.398	5.776	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SC1=S	409349974	WQOXDFKOUBOPAN-WQRHYEAKSA-N	482.852	6.293	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)SC1=S	1411688	WHSZDQKQHSKJEF-UDWIEESQSA-N	452.513	5.578	10	40	JKCB	
CC[C@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	8768963	SAQCWQNTNXTCTO-KHCKMINHSA-N	475.520	5.726	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188815	YIXPUTMOJJIIHH-XHPQRKPJSA-N	465.599	7.552	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c1	13811225	GXFGAKLJWOSVIM-WOZVDNMVSA-N	454.555	5.407	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	13940450	GNRXBLVGIYRIIB-FCIOZCPLSA-N	454.570	6.464	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccccc1	15011565	XTUHUUCOPPPORK-CIAFOILYSA-N	472.418	6.978	10	40	JKCB	
NC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1-c1ccccc1	16930158	ZRBKFDLZJIJXDM-OCEACIFDSA-N	462.376	6.487	10	40	JKCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1	20287687	HVBJMKIJPURBCH-UQQQWYQISA-N	498.564	5.740	10	40	JKCB	
CCc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(c4ccc(OC)cc4)CC3)c(O)n2n1	22854984	GCZQPUHYCXXNEL-XMMPIXPASA-N	491.661	5.102	10	40	JKCB	
Cc1nn(C)c(=O)c(-c2nc(-c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)cs2)c1C	24842478	PWXJLMJAQVTFLI-UHFFFAOYSA-N	456.518	5.197	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)N=C3O)c2C)cc1I	33351352	NYNUGAHAGUEHRG-CHHVJCJISA-N	454.358	5.336	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	33389407	HTZIZDCHNGNTGZ-MTJSOVHGSA-N	492.469	5.386	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)o1	41076367	XPZTZGBEPOVDIW-FZAWDKCWSA-N	463.519	5.363	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	41107943	VOKUSLXWNAEOIE-VHLAIDERSA-N	494.407	6.068	10	40	JKCB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1	58849864	PAPPRQYNULCGRQ-YZUZCNPQSA-N	480.973	5.666	10	40	JKCB	
O=C(N[C@@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1	102057867	MXZMLJQVLFPZGX-KXMIGBHHSA-N	496.807	6.108	10	40	JKCB	
COc1cc(COc2ccc(Cl)cc2/C=C2/SC(=S)NC2=O)ccc1OCc1ccccc1	108263029	OFYOYNDUWZKYRV-YDZHTSKRSA-N	498.025	5.995	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C	208227186	NNYUAYBMCPCXDT-VBHHZLGVSA-N	498.048	6.045	10	40	JKCB	
Cc1cccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)c1C	208237276	LOQQGBQLXMRIRQ-PWKYRQDESA-N	454.039	6.761	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	208239639	IWUMERAKKMJTLX-BKQORJHRSA-N	468.022	5.202	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc2ccccc12	223264590	HOCVMXMCHORLDE-SVBPBHIXSA-N	469.658	5.176	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223981874	OTWLPPRQJBVZGV-FTJBHMTQSA-N	496.640	5.328	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224012531	JAGCEEGVADDNDX-IZLXSDGUSA-N	496.636	5.957	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224273579	XHWKWJMHSMORGT-PQHLKRTFSA-N	494.708	7.154	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020258	STRCSHYLOPPGRB-JWQCQUIFSA-N	481.065	6.066	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	408817074	SVLIJWJVKNCPRA-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc2ccccc12	408910930	MBCSMSVCNNWPJQ-OEAKJJBVSA-N	453.473	5.053	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(Cl)cc1	408913105	SNHVVTUAMIBOKH-CIAFOILYSA-N	494.906	5.123	10	40	JKCB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)C1=O	409210330	KBNSETAFSOGPAS-WWJLXRQJSA-N	496.629	5.490	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)cc1	409235881	CQXJBGJKGDOFHD-LPYMAVHISA-N	495.988	5.431	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)cc1	409375265	IAPMDYFRPADHQY-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)S3)CC2)cc1	9309076	UWCQTHJKXLYGPY-XQNSMLJCSA-N	497.542	6.066	10	40	JKCB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)N(c1ccccc1)c1ccccc1	12494271	PUBIZIWZFIDSAB-UHFFFAOYSA-N	454.511	5.849	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NCC(C)C)nc12	13714339	WZUBMXFXNDSMQD-IZQLPPHKSA-N	478.643	5.033	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	13758604	VBUKNKJWZVQDRL-BDPOZWGGSA-N	489.601	5.743	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)c1	19793123	LOOZGJCZWCZSAN-MRXNPFEDSA-N	461.480	6.301	10	40	JKCB	
COc1ccccc1OCCCOc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	33430376	XYTQBTDDRZVRRS-BWAHOGKJSA-N	491.634	5.945	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc(Cl)c1O	38166894	YWRRKPARIFOTMB-NDENLUEZSA-N	492.915	5.530	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(c3ccc(F)cc3)=NN12	41108208	ZNZULZSHUPVVPC-PZVBXIRDSA-N	494.349	5.046	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58849842	DSEPWWAPMGJSQD-SGIRGMQISA-N	460.555	5.321	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850230	SRNCGKFPWBINID-RHGYRFJNSA-N	472.944	6.246	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3c(-c4ccccc4)nc4sc(C5CCCCC5)nn34)C(=N)N12	102470637	NRCONIXFTXCXOT-NWSLSDTJSA-N	474.615	5.672	10	40	JKCB	
Cn1c(=O)c(C2=Nc3ccccc3N[C@H](c3c(O)ccc4ccccc34)C2)c(O)c2ccccc21	104827562	PCFKBIHZBXCDRY-QFIPXVFZSA-N	461.521	5.781	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	214081682	PCRCTIJEEHJEQY-CIAFOILYSA-N	457.382	6.637	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N(C)C)cc1	223539244	OHRBYQSJHLBMRC-SXOMAYOGSA-N	482.657	5.123	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223561250	JKIVTCNNQPXNEP-FSTGKYBXSA-N	475.658	5.581	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	224464314	GABFJMGGOJEIDT-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c(OC)c1	224804322	NFRXYXWYJFGWMX-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	225719005	ZETFEBFNPHFLBM-UZPCJBMISA-N	473.642	5.695	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1	260735175	FVRXUGGZVADOIP-GJZGRUSLSA-N	455.977	6.643	10	40	JKCB	
CCCCCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	408538580	OWKUARARMBWSOU-UHFFFAOYSA-N	468.553	6.229	10	40	JKCB	
S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1	408735508	QSOTYUJCDUSYSC-NRFANRHFSA-N	484.628	7.276	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)cn1	408738461	XUAVDGOLTDQWHW-QGOAFFKASA-N	489.358	7.128	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c2ccccc12	408774301	YYVRBMAAEYNXMQ-MHWRWJLKSA-N	474.822	5.187	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	408804442	GAFTYWPRHVMWIM-NTUHNPAUSA-N	453.709	5.100	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1Cc1cccc(F)c1	408873638	UFVUPPHTLXBAOD-LFVJCYFKSA-N	472.516	5.044	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1	408973650	NMYOGJVLSBKGOK-HSZRJFAPSA-N	471.655	6.103	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c1	409246419	ICWMGUDVQBZBMX-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1	409338722	OYGKGFHRZACILH-IMRQLAEWSA-N	496.657	6.891	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)C	409339891	ZIFAYLIVZUACEE-VCHYOVAHSA-N	453.507	5.907	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)Nc4ccc(Cl)c(Cl)c4)C3=O)c[nH]c12	409368590	DAIKVJJOKQIRJX-IUXPMGMMSA-N	491.425	5.975	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(Br)cc1	409383115	RQOYDOODFIHZGA-BOPFTXTBSA-N	466.253	5.345	10	40	JKCB	
Cc1cccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1	2223987	JNTIITMHPIBUIU-UQQQWYQISA-N	497.526	5.224	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(Cl)c(Cl)c3)C(=O)N=C2O)cc1	2259973	PIICNPPYXWPRMP-CPNJWEJPSA-N	468.340	5.276	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC(=S)N1c1ccc(F)cc1	9057153	IURCAPQPZGPEDM-MTJSOVHGSA-N	490.408	7.117	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)SC1=S	9236621	RMBBOGQNNYRHFO-UDWIEESQSA-N	470.413	6.012	10	40	JKCB	
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(Cl)c2)cc1	9288914	FKLIKVVYONHUQC-UHFFFAOYSA-N	460.969	5.140	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S	9291823	OATHBQAZDHSABV-JXAWBTAJSA-N	467.641	5.155	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(F)cc1	9296726	SDIUBOIAMVLBKO-KGENOOAVSA-N	471.575	5.587	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C(=O)NC2=S)cc1C	9331662	QNTIMHVZHSLTRP-PXLXIMEGSA-N	451.551	5.283	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3c(C)n(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	9680426	HXFIJPOCLGAHNM-HJLDNAKXSA-N	487.585	5.066	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1	12624981	CCWXJDUPKDXWHG-UHFFFAOYSA-N	491.638	5.739	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1	13800709	BSJLZGRWPUPJAF-QJOMJCCJSA-N	471.644	5.717	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)c1C	15223745	XDBJFOKJJUAEFO-GZTJUZNOSA-N	464.861	5.422	10	40	JKCB	
Cc1[nH]c2ccccc2c1[C@@H](c1cc(Br)cc(Br)c1O)N1CCOCC1	20069239	MHYGAXGUKZCGEG-LJQANCHMSA-N	480.200	5.129	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	20123614	USCHEGWTLRUPFS-XWCAUFEOSA-N	458.470	5.665	10	40	JKCB	
CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1	21005618	MZVOWILUPFZBRG-AREMUKBSSA-N	468.557	5.100	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1	33667945	SBVJBRZBDDOTMS-INYGCOGDSA-N	462.575	5.200	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1	40006331	AQKRBTGZWHUHND-HAHDFKILSA-N	488.074	6.852	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847554	MCIOQYHUDXOHOO-PPJWLVRDSA-N	481.017	6.366	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc2ccccc12	100525101	HXBJGZYIEXRQAE-CWHMERMBSA-N	490.386	6.601	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1	100778708	NVMZPNSPXZXGJJ-ZTKZIYFRSA-N	490.607	6.770	10	40	JKCB	
CCOc1ccc2nc(N/C=C3/C(=O)N(c4c(Cl)cc(Cl)cc4Cl)N=C3C)sc2c1	101114372	LYRITSZYLHQAIZ-UKTHLTGXSA-N	481.792	6.374	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC	107883038	CYHXTABOVHQDJN-HKWRFOASSA-N	470.953	5.364	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Br)cc1	222830548	MGZHCUXVHCGTGT-FGZHOGPDSA-N	469.452	5.633	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223799046	YSZOIGZCDWYRJM-SXOMAYOGSA-N	484.625	5.771	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224334464	HVOIZGGPEIVWRM-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224336876	CUCFLKQILMNQSI-SXOMAYOGSA-N	468.626	5.934	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	260926932	XCGKXIJYRLJSBH-DQEYMECFSA-N	490.076	5.934	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)SC1=S	408573186	IWDSXRIWNYEVNW-WQRHYEAKSA-N	491.432	5.076	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)c(OC)c1	408753004	KOHPTKWXHCLKIP-LPYMAVHISA-N	477.358	5.609	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)c(OC)c1	408754162	DSRFQJFNJMTZHF-HYARGMPZSA-N	477.358	5.609	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)C2=O)cc1	408785417	ZDSHVBUGBUEFBE-LFIBNONCSA-N	485.721	5.337	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c1	409073432	MZCITSCMKJNLBY-HYARGMPZSA-N	479.026	5.939	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	409198000	UBVSQKRMIGRASZ-BKUYFWCQSA-N	465.556	5.130	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OCC	409345760	JQZZXQACAQKKTC-LDADJPATSA-N	494.432	5.661	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)c(C)c1	409347401	PUHVQUXIRYSGGC-RGVLZGJSSA-N	469.971	6.321	10	40	JKCB	
CCCOc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1OC	3352690	XHTFHVQBHFGFSI-UHFFFAOYSA-N	487.499	5.533	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(Nc3ccc4c5c(cccc35)C(=O)c3ccccc3-4)cccc21	3953858	IYIHHRQMVJYLAX-UHFFFAOYSA-N	451.481	6.570	10	40	JKCB	in-vitro
COc1ccc(OCCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)cc1	5945857	KPOPPEJIAXLDJD-NEAWXCLQSA-N	472.570	5.286	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)C(=O)N=C2S1	8453060	FHXXFDKBQHTOQR-KRKDOYDSSA-N	482.993	5.737	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1	8749073	CMVPTGGGYMEGTC-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1	9076548	RLABNPZMHZUNFR-FIOJILPZSA-N	491.591	6.178	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1	9193082	DPNKKIRDCDGUEB-DHPPALJOSA-N	475.662	6.663	10	40	JKCB	
Cc1cc(C)cc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)c1	9280150	AYNCRTKHRPKYIQ-XIEYBQDHSA-N	475.635	6.557	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl	9668608	GCHNFRSJEWRHBR-XDHOZWIPSA-N	497.334	5.073	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3C#N)c(OC)c2)SC1=S	10130305	BVYVJNWSJWBQGD-ZDLGFXPLSA-N	489.416	5.129	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1	13896604	BSNNZAOIDSEZIT-NAHYFOQLSA-N	472.516	5.585	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(OC)cc1)N1CCCC1)c(O)c1ccccc12	15441578	YTAUIKNYOQPLRM-RUZDIDTESA-N	459.542	5.971	10	40	JKCB	
COc1cccc(CN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)c1	20287773	CZOBUDAGRZOEEQ-QJOMJCCJSA-N	454.555	5.120	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1	59135212	IFSHEZYKCAIHAB-YBFXNURJSA-N	480.879	5.573	10	40	JKCB	
COc1ccc(N[C@@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2c(O)ccc3ccccc23)cc1	104827735	OOWLJODKLCRGAD-QHCPKHFHSA-N	494.547	5.538	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223615209	CPHPWLPABBSGLB-DNNAEVNTSA-N	493.629	6.640	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223879566	SXOFWCJCCBOXLX-UIOOFZCWSA-N	498.608	5.158	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224336914	CUCFLKQILMNQSI-RRPNLBNLSA-N	468.626	5.934	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224468532	UENKXYAHRLFPHA-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C	224569234	LVYCEIUAIOHBQZ-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1	225105792	UANGMONOHMJOLW-UHFFFAOYSA-N	479.646	5.189	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(Cl)c1C	408574635	MDCKYYKESRWCJN-JAIQZWGSSA-N	491.034	5.284	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1	408777752	HSBPHECSTXBZBH-LDADJPATSA-N	484.408	5.541	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)c1	408814517	PNFZNTXLGLSTKZ-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Br)cc1	408992035	QDUJJVGDTNTWRX-XMHGGMMESA-N	493.813	7.152	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409015439	NARHYIKCPIJGQH-DIBXZPPDSA-N	483.564	5.932	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409061360	DJNBVOWRUJCJEA-VEILYXNESA-N	498.623	5.635	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409079517	GJXSZIJOVZJLPG-ULJHMMPZSA-N	499.397	7.407	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1	409339437	VSBDVJXGMAZIIA-XDHOZWIPSA-N	454.554	5.983	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1	2371070	PNFIGOBGGNQUPG-QNGOZBTKSA-N	493.610	5.004	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccc(Cl)cc1	2619534	YGWYDYHZVYROQU-ZDUSSCGKSA-N	473.347	7.178	10	40	JKCB	
O=C1N=C(Nc2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccccc1Cl	8833800	LLGNSWHJOIWBRZ-FYJGNVAPSA-N	455.366	6.655	10	40	JKCB	
COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1	8871688	PLWDIAJJGZTYGN-AQTBWJFISA-N	491.432	5.078	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(O)cc1	8872161	MRWHCSIQFDVZPZ-NBVRZTHBSA-N	474.343	7.430	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	9282572	NGYNLIDSUJBIFB-VZHDZHPESA-N	491.979	5.749	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	9293602	DVWSSKABWQUDNR-DSNGMDLFSA-N	480.539	5.269	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4Cl)c(OC)c3)C(=O)N=C2S1	12285052	SSYJQNMLZQGQDG-MBRQZNNDSA-N	472.929	5.096	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1nccs1	13576702	LQNUBLRCLFVCCT-QINSGFPZSA-N	452.026	5.197	10	40	JKCB	
CCN(CC)C(=O)N1CCN(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)CC1	16678381	YQZCCKLSHVYXLM-UHFFFAOYSA-N	453.590	5.715	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Br)ccc21	20059373	DWPFPDBTXMQQRL-SVZNOHIVSA-N	478.390	5.298	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1	20238538	PPHBPUGCSPOYSM-WQRHYEAKSA-N	496.273	5.432	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	41083502	LSYTVJQLAVHCOV-YXZMWACZSA-N	478.430	5.731	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)cc1	41108266	QAVMEHWQENVZRD-HGMBWOCJSA-N	485.638	5.913	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58847906	DVUWKKJEOLXGBP-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(O)=NC(=S)N1c1ccccc1F	59136010	XMWCVUIAPOTPBF-XQNSMLJCSA-N	482.536	6.230	10	40	JKCB	
C/C(Nc1ccc(F)c(Cl)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	103530310	XIMNUJRVVOUURL-DHDCSXOGSA-N	454.836	5.740	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223006999	XZLKMIBLFCBELI-VXKWHMMOSA-N	474.552	5.127	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223349925	JPLPEWJNOWSHKG-IZZNHLLZSA-N	456.615	5.872	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223799540	XQJSRKJXCSLWNL-IZLXSDGUSA-N	498.652	6.074	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1	224166186	RHSKTHMFXSKURA-RPBOFIJWSA-N	459.018	6.320	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224235612	GEFDYZPPPVKCOC-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	224341421	PUMFWIWPLVHYIA-MFMCTBQISA-N	494.708	7.099	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403197	UNFCJIHXNDHLDC-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225527698	WDNSSKRTNRYWOA-IZLXSDGUSA-N	495.652	5.490	10	40	JKCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C1c1ccccc1	408737591	FHLUCHRSVMXPIQ-HEHNFIMWSA-N	492.487	6.113	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1OC	408752725	GITNGNQCNCSQRZ-LDADJPATSA-N	492.915	5.745	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	408780403	CCRSETGZXFXHET-GZTJUZNOSA-N	488.758	5.721	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1	408867718	JZPGMYPBWZDXRF-WSDLNYQXSA-N	493.390	6.176	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	408876365	OBHRRWQTBFTHEG-MTDXEUNCSA-N	488.587	6.331	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c(Br)c1	408984643	IUVRBASOCALYEN-LDADJPATSA-N	485.208	7.536	10	40	JKCB	
CCCCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccccc2)cc1	408985384	LSBIBQPMPOCBLQ-LKUDQCMESA-N	467.565	6.514	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccccc3)c12	409129036	JTSHRMQVULJNQE-KUOTXRDYSA-N	462.640	5.632	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)c(Br)c1	409245046	MPOSFYHVVAAJPI-WJDWOHSUSA-N	499.748	5.646	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)cc1C	409345431	IHYFMCARVOWRAZ-YBEGLDIGSA-N	451.354	5.314	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc(C)c1Cl	1916159	HNYQVHVXAPXCPO-UHFFFAOYSA-N	495.925	6.956	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2cccc(C)c2C)SC1=S	2874039	AFIBNJKTESFDGL-QNGOZBTKSA-N	457.617	5.381	10	40	JKCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1CNc1ccc(Cl)cc1	3166738	CTZIOSRTAGXELE-DHDCSXOGSA-N	486.787	5.215	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S	8425136	NYEKEFOCHDQHHA-GIJQJNRQSA-N	454.400	5.802	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	9296601	COIYTKSIFSDUEO-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCc1cccc2ccccc12	9323168	IMOWYUACIIXSAS-JLPGSUDCSA-N	482.923	5.739	10	40	JKCB	
Cc1ccc(C)c(SCc2nc3sc(C(=O)N[C@@H](C)c4ccccc4O)c(C)c3c(=O)[nH]2)c1	13006744	ZYBLWWBPFASAIV-INIZCTEOSA-N	479.627	5.399	10	40	JKCB	
COc1cccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)n2-c2ccccc2)c1	13109559	JSMACGVNKQAAEL-UHFFFAOYSA-N	494.620	6.325	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(C)C2=O)cc1	13943177	PVNPGSSRAVXRCX-HFITWMCCSA-N	472.588	5.397	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)cc1	26607676	HLWZOEKTKRJLSF-UREHTDJCSA-N	496.592	5.429	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=O)N=C2S1	33448022	KJEWCQZKWQOWPV-MZLPUNMDSA-N	456.930	5.477	10	40	JKCB	
O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C\c1ccccc1I	35363160	BQRLUYXPBCWCDZ-JYRVWZFOSA-N	475.138	5.680	10	40	JKCB	
CCc1cc(C)cc(OCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)c1	41083725	HRIWBXLYSIQJQP-MNAJPBKWSA-N	470.598	5.758	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccccc1)Nc1ccccc1	44086389	XHLWZRRDYZCTRB-UHFFFAOYSA-N	478.415	6.092	10	40	JKCB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc(Cl)c1	102765171	DWROTSDKPAMJAG-DYXWJJEUSA-N	489.742	5.404	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C=C4C)C(=O)NC2=S)cc1	208517978	ZBXTZRRDFVADPL-HZHRSRAPSA-N	489.641	5.247	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(F)(F)F	222827760	KELMJOBQWJKFJF-VXKWHMMOSA-N	458.553	5.889	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc([N+](=O)[O-])cc2OC)c1C	222970923	MHEOCBQFWQIKIK-DNQXCXABSA-N	479.606	5.179	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1	223703316	QZQKNLAVOUWDCP-UZPCJBMISA-N	457.574	5.227	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224337815	NLGPJXCLPYRKRL-RRPNLBNLSA-N	496.636	5.927	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224371094	AGUZVAUXVBJKOZ-LOYHVIPDSA-N	494.708	7.406	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1	225042913	UUYWSSYFMZQTPY-FQLXRVMXSA-N	495.696	6.272	10	40	JKCB	
CN(C)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1Br	408632359	DXEFNOTXGCSOMU-YBEGLDIGSA-N	480.771	5.436	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(Br)cc2)cc1	408759216	ZVKWLHILCDXLJG-KGENOOAVSA-N	461.315	5.290	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)cc1	408764632	VABCFBJGCLNBOF-WJDWOHSUSA-N	473.337	5.093	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408784865	VYOKQCNRTXGINB-ZHZULCJRSA-N	481.379	6.278	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	408902689	PYCAULNWXIEPHG-ITYLOYPMSA-N	466.631	7.167	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c1	408973275	YBBNTORSFYQRAX-WJDWOHSUSA-N	460.795	5.647	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Br)cc1	408986387	QEXCBRKGTWYNQJ-SFQUDFHCSA-N	471.181	7.227	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C	409000169	XJONRWMCOQJQOF-UHFFFAOYSA-N	489.575	6.294	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409191148	ZYUSFOVBVMHUTB-SRZZPIQSSA-N	457.382	6.950	10	40	JKCB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O	409209550	GZBWNZNABACSIS-ATDWHHCWSA-N	481.401	5.779	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccccc2)SC1=S	409328412	UTHIUIOJRIMZDN-PXLXIMEGSA-N	460.580	5.418	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1	409344831	JQDSOCLXBYOYCZ-NHDPSOOVSA-N	481.913	5.526	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)cc2)cc1C	409355167	BWOJKBMGMOZJPT-OEAKJJBVSA-N	492.597	5.866	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	1243010	VNRUBAYQKJQWMW-LPYMAVHISA-N	473.891	5.353	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1C	1890288	VUVDWYLTXXYGGX-ZDLGFXPLSA-N	471.966	6.084	10	40	JKCB	
CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2361876	WBYHHIXWVPLYJG-XQJOSWFISA-N	479.605	6.596	10	40	JKCB	
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)cc2C1=O	8721818	SBZKALJNLWAWEY-UHFFFAOYSA-N	480.520	5.517	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087783	QLFPNAWQGVLPOU-ZNZIZOMTSA-N	467.952	5.671	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5cccc6ccccc56)CC4)=NC3=O)o2)cc1	9293648	ZFZFURLMTGGMFR-DIBXZPPDSA-N	479.605	6.201	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2C)SC1=S	9434546	SLCPZAWXHVYMTH-UYRXBGFRSA-N	478.433	5.436	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1	13811200	DJQOIZZQPMNIEN-HMAPJEAMSA-N	489.647	6.011	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1cccc(C)c1	13893056	AWZXKVNRAGGDGV-LDADJPATSA-N	494.432	5.055	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	14010585	NTTGRYLVMGGJSJ-UNOMPAQXSA-N	477.388	5.110	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15999243	QUVRNKYCHZLDKN-GSDHBNRESA-N	479.551	5.874	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2O)cc1Cl	17197539	XDXYNGJRVCMIIP-BOPFTXTBSA-N	473.337	5.917	10	40	JKCB	
C/C(Nc1cc(Cl)ccc1Oc1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	20288301	FIUZDTCWLITOBJ-OOAXWGSJSA-N	479.967	7.269	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/SC(=S)N(NC(=O)Cc4ccccc4)C3=O)c2)cc1	35039337	VKHSVBOCBZSDSS-HZHRSRAPSA-N	474.607	5.049	10	40	JKCB	
Oc1ccc2c(-c3cc(F)c(F)c(F)c3)noc2c1CN1CCN(c2cccc(Cl)c2)CC1	41585330	OIUJXMRGPGKRFX-UHFFFAOYSA-N	473.882	5.593	10	40	JKCB	
O=C1C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	59249199	OHWHRNRGWMQBMX-UHFFFAOYSA-N	467.912	5.714	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21	208476209	UBAHJSHHJGNZSZ-VCHYOVAHSA-N	470.356	5.292	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C	208512319	JELCLMARKGIDOL-HYARGMPZSA-N	459.615	5.157	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104523	ZSFNOJJKLJPZGL-IXCJQBJRSA-N	472.702	6.665	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C	224260365	SOOOYZQVXMFBGA-FTJBHMTQSA-N	453.615	5.678	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224607350	VYIGAWYTMXSSJX-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)cc21	260851105	FEQONRREEPCFAS-IZLXSDGUSA-N	498.696	6.678	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	408573790	KNCDKLAWFVGUNI-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	408643758	RSRFZOSHAUIKTR-HSZRJFAPSA-N	472.544	6.777	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Br)c1	408754243	JJJDUCHPJAEKSK-KGENOOAVSA-N	461.315	5.290	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(OC)c3)C2=O)cc1	408803285	NFXJWSFXDHJNMY-HYARGMPZSA-N	490.943	5.156	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	408904369	IKCDLYHFSCFUBF-HYARGMPZSA-N	481.777	6.488	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC1=S	409140883	TUGXIQXVAKIJQA-LSCVHKIXSA-N	461.381	5.422	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccc(F)cc1	409143377	DUAYIPWFLCFMPA-QFIPXVFZSA-N	455.551	5.515	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCC(C)C	409205416	CHJJIZINOVBYSY-JAIQZWGSSA-N	492.460	6.288	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1C	409228745	DMPKYPCYEGPBBO-LPYMAVHISA-N	494.016	6.039	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)o2)ccc1Cl	409339398	UZBJDSPJUNPHSF-NDENLUEZSA-N	469.971	6.101	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O)Nc1cccc2ccccc12	409354241	AUTQWKAMVXWXJK-XQNSMLJCSA-N	457.555	5.115	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1	9471607	UFQGVXSEFRMOMU-UQQQWYQISA-N	463.537	5.476	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c2C)cc1F	9731043	JFKKAPNKQFIFPE-UHFFFAOYSA-N	461.566	5.505	10	40	JKCB	
Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)c1	13779293	TZKZGDQVIXPPOL-UNOMPAQXSA-N	465.600	5.058	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1	13809976	LGWCNXXSZOJPOY-ADKREUBMSA-N	455.495	5.037	10	40	JKCB	
Cc1ccccc1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	13893557	LMGMUOSFLGFKFT-HYARGMPZSA-N	491.341	5.003	10	40	JKCB	
CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1OCC	17315449	YJJISXKROZJMHZ-HHHXNRCGSA-N	487.644	5.079	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc12	19793051	AWTZRHOZASRJPY-UHFFFAOYSA-N	483.486	6.640	10	40	JKCB	
N=C1/C(=C\c2cccn2CCOc2ccccc2)C(=O)N=C2SN=C(SCc3ccccc3)N12	30855933	PGYOPVDWQWWUDE-INYGCOGDSA-N	487.610	5.077	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)c(C)c1	33390834	WETSKIHIGLBHDV-UNOMPAQXSA-N	498.453	5.989	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1cc(C)ccc1C(C)C	33391846	ILDIUXMHSCUSGO-JCMHNJIXSA-N	471.644	5.806	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(CC)cc1	33430493	GEVXFCUJLJKCLM-QJOMJCCJSA-N	471.644	5.717	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccccc1F	41077886	ROIGMKQWLAVEDX-NIZMMVCKSA-N	461.497	5.040	10	40	JKCB	
CC[C@@H](C1=NN2C(=N)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N=C2S1)c1ccccc1	50011393	CLBYOZYJQZJHLJ-ZYONOYIQSA-N	484.537	5.458	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1	59198523	KSMKVHQLXHJFII-GZTJUZNOSA-N	487.762	6.034	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1	59484937	STWDZLLFIWFQQG-UHFFFAOYSA-N	456.567	5.450	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	103450617	YKIOWDTYBKHRHI-SSEXGKCCSA-N	493.651	7.639	10	40	JKCB	
C/C(Nc1ccc(Cl)c(F)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	103921025	BAICBNQUUWKUAO-STZFKDTASA-N	450.857	5.524	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(OC)c1	106723207	RPAIOJRGHRQJTF-NDENLUEZSA-N	475.408	5.540	10	40	JKCB	
CCCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	108255992	UVPVXMMOVLBHHX-NKFKGCMQSA-N	475.386	6.463	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Br)cc1	222830713	MGZHCUXVHCGTGT-VXKWHMMOSA-N	469.452	5.633	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223551307	ZOHGICKSIZHUJL-REIAIGDLSA-N	482.049	5.672	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1C	223861835	VBLFFJWYCRWWNQ-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1	224804800	KKLVTEKSCUTIOT-VSGBNLITSA-N	498.652	5.992	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc2c(c1)OCO2	225019151	QOKYLRJMAXTOFE-LOSJGSFVSA-N	460.603	5.133	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c(C)c1	260918195	LFMIMTIRCCSWFZ-BUALBWRZSA-N	474.674	5.566	10	40	JKCB	
COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408573193	IXYUICXJTQLAOX-XKZIYDEJSA-N	494.569	5.258	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)SC2=S)cc1	408575233	HSGHPFPQGLUVFQ-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
CCCc1nc(S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)O)n[nH]1	408633345	XUUYUJMCUAXEQJ-KQWNVCNZSA-N	458.587	6.050	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Br)cc1	408758889	UATPPQJFKJKXKD-JJIBRWJFSA-N	490.401	5.748	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	408776374	ZNUFUGMWOADRRM-UGHLTKRUSA-N	468.597	6.145	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c1	408839969	BVIGNXUHEPBFLW-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(OC)c3)C2=O)cc1	408865759	FGEOHUJMMDNAPU-HYARGMPZSA-N	474.944	5.168	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccccc2)ccc2ccccc12	408868519	PDXAYDXTAUHTCK-JWGURIENSA-N	466.468	5.224	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2Cl)c1	408871138	YHLJDENFWMEQCX-OEAKJJBVSA-N	472.972	5.831	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)c2)cc1	408936533	KVWDUEXTUVSRAR-XKZIYDEJSA-N	460.917	5.202	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1C	408961967	WDWYRXPIOQMTNM-UCQKPKSFSA-N	475.570	6.110	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)c1	408967150	QDFINBVADXPDJC-UCQKPKSFSA-N	477.948	5.017	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1	408981750	BGJJQGQHEGOYKV-JAIQZWGSSA-N	494.906	5.042	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409023505	GARYPGILOKWQTN-QQXSKIMKSA-N	495.579	5.732	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409209031	FFWNXTNUZHJUTJ-UUYOSTAYSA-N	496.541	5.727	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC	409334754	WAEPIBUWIJOYJA-WQRHYEAKSA-N	478.433	5.879	10	40	JKCB	
O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	409337159	YGGGMJHNWQRWFP-UHFFFAOYSA-N	494.510	5.989	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)ccc1Cl	409338730	PAQUPYXWRMZROH-UNOMPAQXSA-N	461.992	5.921	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)SC2=S)cc1	409348932	SZURYMQUTPXBEQ-FYJGNVAPSA-N	482.539	5.668	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409367274	PJYGZIMIUOMPQN-UQQQWYQISA-N	467.521	5.345	10	40	JKCB	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	1510973	JUHGSJBZVDODBQ-TYWAAFNRSA-N	466.378	5.020	10	40	JKCB	
Cc1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1CN(C)Cc1c(C)c(C(C)(C)C)cc(C(C)(C)C)c1O	1679814	BWEFJCWQQQNLBI-UHFFFAOYSA-N	495.792	8.537	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1ccc2c(c1)OCO2	2651679	VJQVUWRIEIPPJX-UHFFFAOYSA-N	470.620	5.394	10	40	JKCB	
COc1ccccc1-c1cc(-c2ccccc2)c2c(N)c(C(=O)OCc3ccccc3)sc2n1	8809739	BXPCPVXNDRCPFM-UHFFFAOYSA-N	466.562	6.578	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1C	9293361	KBBYNVGAJSVKHC-ZHXICNOMSA-N	497.624	5.718	10	40	JKCB	
CCCCCCc1ccc(C(=O)Nc2ccc(NCCCC)c3c2C(=O)c2ccccc2C3=O)cc1	9308305	UYJJTJJPELTDBI-UHFFFAOYSA-N	482.624	7.049	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	9501297	PDZAURXUJWPCQA-ZPFBFIQOSA-N	490.629	5.817	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S	9762404	JSFBZCDXZUBGQA-HMAPJEAMSA-N	451.544	5.819	10	40	JKCB	
COc1ccc2c(CC(=O)O[C@@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)coc2c1	13129460	OEECZUJUBLDDKQ-KRWDZBQOSA-N	497.494	5.807	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2C)cc1	13141989	LUGCJQJWWCPNAM-UHFFFAOYSA-N	470.525	5.596	10	40	JKCB	
CCCCCOc1ccc(C(=O)Oc2ccc(/N=N/c3ccc(Br)cc3)cc2)cc1	16638611	HLBLDMGQGLJVQC-CYYJNZCTSA-N	467.363	7.653	10	40	JKCB	
O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	28628576	DUJQGCYSRMFPCY-RNSPOAILSA-N	455.517	6.499	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	33531428	SUJMYWUWNLHLBU-JLFKZYKSSA-N	491.916	5.370	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	33627446	QQUMJICEQVCUGX-ICALIKLASA-N	469.570	5.079	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	58846614	ZGFUTTVFCPNUBV-UZINWLIJSA-N	465.018	6.584	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)c1	58850282	AIBAECJAPHOBDZ-CEYNDMKZSA-N	484.980	6.115	10	40	JKCB	
O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	59418671	YARNMNZYXJSRFF-NSNRRZCZSA-N	489.962	6.849	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1	106702642	QWEGXKCXXSJSKY-JJFYIABZSA-N	471.409	6.946	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2C(C)=CC1(C)C	208519270	FAVRUWIEUUJMKK-OEAKJJBVSA-N	473.642	5.465	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230378	VCZNVLRSROFYNL-UIOOFZCWSA-N	461.679	5.030	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cc(Cl)ccc1O	223528890	WIEKLFZYCFHRQH-JWQCQUIFSA-N	490.032	5.416	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1C	224169761	CSFPHMVWGNNLHU-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	224326396	WGPAMQNTTLXPKO-SVBPBHIXSA-N	468.670	6.453	10	40	JKCB	
COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1	408575514	MDOAVQFIZOJIIY-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408645094	UIMXMWVITYGDPX-HXUWFJFHSA-N	470.956	6.586	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2Br)c1	408840333	DNHRRUSGTVHURV-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
COc1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	408857938	QKBIHHOMOZCHOQ-UHFFFAOYSA-N	463.493	5.069	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)C1=O	408884834	YNDDJBVJOMWTST-ZHZULCJRSA-N	495.362	5.801	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(C)cc1	408936044	JTJJXIYQQDIHQP-LFVJCYFKSA-N	454.526	5.415	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccc(C(F)(F)F)c1	408951641	MDSFQKFXAJTJCO-FSJBWODESA-N	494.513	5.840	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)OC)cc3)C2=O)cc1	408985565	MZKNQZKXUQCGPM-LTGZKZEYSA-N	459.929	5.997	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)O)c(Cl)c3)C2=O)cc1	408986237	OXRCZBGJSJXOIL-QGOAFFKASA-N	480.347	6.562	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409056701	HVZBVTQVHKRWCL-ONUIUJJFSA-N	468.597	6.287	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(C(=O)OC)=C2C)cc1	409061660	ZFUUSDSEIITZBH-PKAZHMFMSA-N	484.596	5.987	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409193730	LAUDBKVDJCDVDX-FYJGNVAPSA-N	466.946	5.775	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(O[C@H](C)CC)ccc3ccccc23)C1=O	409237031	VAOKXPSIWGIFKO-GFXBCDTMSA-N	458.514	5.082	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	409255618	ZFOMBIJDWWVCGF-LDADJPATSA-N	488.512	5.589	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1	409349814	WFVIZQYKZDHAMX-JLPGSUDCSA-N	477.607	6.079	10	40	JKCB	
CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C2CCCCC2)C1=O	2423074	LQWOWXZWMPRHER-SILNSSARSA-N	484.691	5.163	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S	2696832	UCYSFSSVEOVMLE-CEZZIEKDSA-N	465.644	6.550	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc(Cl)c1	2904389	URTKZAWBSDUSCF-ZDLGFXPLSA-N	466.798	7.313	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	9281851	SXSGVHFZQVFHQK-NAAAPUFRSA-N	478.578	5.366	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cn(Cc4ccc5c(c4)OCO5)c4ccccc34)C(=O)N=C2S1	9463021	IJFWVTRPBQRASQ-ZDSURBCBSA-N	499.596	5.474	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	14415015	BICMAQVCFRRYNZ-OOAXWGSJSA-N	467.565	5.571	10	40	JKCB	
Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1	22741564	GTVPOUAWOBBKRC-UHFFFAOYSA-N	484.452	6.052	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C=C(c4ccc(Br)cc4)OC3=O)c3ccccc32)c1	32180639	XICYMRFCLVSQBR-STZFKDTASA-N	470.366	6.742	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1	34718947	XERYXEFSNKEWAF-RGVLZGJSSA-N	454.313	5.908	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35843130	NFFZOFQZKRXZAT-DSNGMDLFSA-N	487.477	5.728	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1	58848550	FKVGUIVFHZZCSM-CLCZQPDDSA-N	460.599	6.021	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	96505302	KHZTXISAZCVPAS-HZHRSRAPSA-N	490.606	5.129	10	40	JKCB	
c1ccc(/N=N\c2ccc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccccc5)cc4)cc3)cc2)cc1	100368285	HXWHXECPBINUKM-GLHCWFLGSA-N	494.562	11.348	10	40	JKCB	
C/C(Nc1ccccc1OC(F)(F)F)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	103921375	POHYDDNSLJQERY-QNGOZBTKSA-N	455.411	5.861	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2C(C)=CC1(C)C	208515461	LTAKRXYJYLOHJX-HYARGMPZSA-N	459.615	5.157	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1	208685221	CPTVILYSYPBZSY-ODLFYWEKSA-N	468.340	5.376	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223425354	NKUUEZTXGGBKCZ-URLMMPGGSA-N	496.680	6.287	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223761896	RMGWZTYBIKRMNR-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)nc1	223903732	OQKXPHCAGWWXER-SVBPBHIXSA-N	482.657	5.436	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C	224267427	BRFCGTIIHSPKML-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)nc1	224308520	ORLMMUQPSIWXHV-KAYWLYCHSA-N	467.642	5.987	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224337923	QKEOJXHHGFZGDD-SVBPBHIXSA-N	496.636	5.927	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc34)C2=O)cc1	408808116	FBSXBUHKEOKFOB-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2F)cc1	408845963	WXKNANGFCWVINY-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(Cc2ccccc2Cl)c1	408866407	FPMDQDBZSSSWGN-PXLXIMEGSA-N	474.944	5.223	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408866510	GNHWCZZWRWZLPN-WSDLNYQXSA-N	492.934	5.362	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccccc2F)ccc2ccccc12	408879520	DXRLJYZUCPYTRT-QNGOZBTKSA-N	484.458	5.363	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O	408898294	QBXKOWUQTDPDQM-STZFKDTASA-N	491.341	5.003	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1c1ccccc1	409131190	MJFDVCGEOOKZLE-ULJHMMPZSA-N	456.592	6.126	10	40	JKCB	
Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1ccc(Br)cc1	409132663	JRQTZNKKMHXLOQ-MOSHPQCFSA-N	480.387	5.257	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O	409246755	AYJIUOAKMRWEHE-LFIBNONCSA-N	468.981	5.615	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)c1	409329028	CHOLXBHCOYCRBM-LPYMAVHISA-N	494.619	6.302	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1Br	409338013	BKARULQOJHXNQP-YBEGLDIGSA-N	497.823	5.047	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)SC2=S)cc1	409352913	ZNIUNKYZUJEVHJ-DEDYPNTBSA-N	495.538	5.205	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1	2863961	ABHZNOCNZKYHEW-BKUYFWCQSA-N	466.515	5.719	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	9232495	MIVMGKSAVJCKRS-JJYAYZJSSA-N	455.514	5.709	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	9308000	MMYKMRJEBZUJRJ-JHKOBTARSA-N	483.597	5.409	10	40	JKCB	
Cc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1	13940257	OEVITIKYWIDTLH-ZHZULCJRSA-N	476.026	6.837	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12	15930274	GYZCOPAMLYBKEX-PDGQHHTCSA-N	485.179	6.083	10	40	JKCB	
C/C(NCC[C@H]1C=Nc2ccccc21)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	18069182	CQVABOFURQNMHA-ITRAFESCSA-N	469.492	5.315	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58847515	KRQMMSHHWUHKSK-YZUZCNPQSA-N	471.409	6.621	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208532539	IQSKKAVHIHEKIG-QRVIBDJDSA-N	467.034	6.907	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222971877	MFIFOULBFQWKRU-BJKOFHAPSA-N	469.054	5.924	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223490355	DYUGVGGUSYTWAR-HZHRSRAPSA-N	473.642	5.491	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223802404	MDUOSDKYNPMGDC-URLMMPGGSA-N	496.680	6.682	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)nc1	223903551	OQKXPHCAGWWXER-KAYWLYCHSA-N	482.657	5.436	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)n1-c1ccccc1	224514977	KTZYUKHFMVNUSE-ZEQRLZLVSA-N	489.442	6.120	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224845493	YCUWJWLKESPYFX-SVBPBHIXSA-N	499.640	5.387	10	40	JKCB	
CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1Cl	225656578	KLSCPLDBZGVGIS-KRWDZBQOSA-N	460.043	5.801	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)c(OC)c1	408765600	YWBAKCUQYUOCDL-CIAFOILYSA-N	497.776	5.954	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1OC	408766212	PRZQAAMMXWVSBB-XSFVSMFZSA-N	463.331	5.301	10	40	JKCB	
CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)ccc21	408902327	HKRSKTVKRBDVSZ-XSFVSMFZSA-N	488.341	5.243	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1ccccc1	408904927	QOBYETTYTMAHAC-FYJGNVAPSA-N	475.932	5.172	10	40	JKCB	
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(Br)cc3)N2[C@@H]1c1ccc(N(C)C)cc1	408987166	DWIDMQYCCRAIHU-JOCHJYFZSA-N	498.446	5.810	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)SC1=S	409197867	QOQDZSMZDYRIQN-XYGWBWBKSA-N	470.619	6.375	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)cc1Cl	409236727	GXJXENKCRCDWKX-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc(C)c3)SC2=S)c1	409348539	OHZCYGIRCKOWDQ-OEAKJJBVSA-N	463.649	6.702	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1	409355776	DRSBVRKSQBNKMS-XQNSMLJCSA-N	459.571	5.361	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1	1795093	NVQSJFHBOMSPFS-IWIPYMOSSA-N	477.607	5.684	10	40	JKCB	
C[C@H]1c2ccccc2Cn2cc3c(c21)C(=O)c1cccc(O[P@@](=O)(O)OCc2ccccc2)c1C3=O	5766249	UXTSQCOOUJTIAC-KRWDZBQOSA-N	499.459	5.473	10	40	JKCB	in-man
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1	8821513	LBYKIXKRNLVLMG-UDWIEESQSA-N	450.497	5.463	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@@H](C(C)=O)N2c3cc(C)ccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9012515	YWVAKEKOPYBZNG-OZNIXHKMSA-N	477.560	5.416	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc(C(C)(C)C)c1O	9188930	IJTJNNIDGBFJOC-PLRJNAJWSA-N	490.713	6.912	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4cccc(C)c4)c4ccccc34)C2=O)cc1	9428570	KLUIWCVQBKHOPV-ITYLOYPMSA-N	493.563	5.258	10	40	JKCB	
Cc1ccc(S(=O)(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)Cc2ccco2)cc1C	13039628	WJUDVAPZOHTFRR-UHFFFAOYSA-N	476.598	5.378	10	40	JKCB	
COC[C@@H](C)n1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nc2ccccc2c1=O	13141805	AIVVPWBGXIGHEO-QGZVFWFLSA-N	479.577	5.126	10	40	JKCB	
O=C1/C(=C\c2ccc(OCCCOc3ccccc3Cl)cc2)SC(=S)N1c1ccccc1	13940515	PPRYLCRBUSFQNR-HAVVHWLPSA-N	482.026	6.594	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S	16347986	WNPIYKBUHMZUJG-VCHYOVAHSA-N	458.948	5.254	10	40	JKCB	
CCc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1	20289087	FFNLCBVATFATDV-ULJHMMPZSA-N	468.582	6.004	10	40	JKCB	
COc1cccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)c1	20573637	CFMIETLJQAXWGT-CQSZACIVSA-N	463.452	5.693	10	40	JKCB	biogenic
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C	27017804	JYYBKDBAQIPXHJ-LVLPKJHMSA-N	472.415	5.023	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccccc1O	32138970	MCIGMXSILOXEAD-JXAWBTAJSA-N	474.343	7.430	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1	35643788	KJHJVNVSKXAONX-IUXPMGMMSA-N	485.845	6.185	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c2C)cc1[N+](=O)[O-]	59135937	XSAQQXIOHVQHEM-WOJGMQOQSA-N	478.505	5.121	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Oc4ccccc4)cc3)C2=O)cc1	102545597	FISRHDRQVAJEDO-HFTWOUSFSA-N	475.548	6.625	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccccc1Cl	223309141	HZHLDSUFUYBNFI-GLYQVZKVSA-N	467.038	5.294	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223419319	HVMWFNSDLJEZEN-WUFINQPMSA-N	482.653	5.979	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223465403	GJLWRQURQZUDPO-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223582863	KRZGQZNFSKACMY-WQZUMXOESA-N	475.658	5.555	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1C	408574319	LVQRGESEGZYVRN-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4C)c3)SC2=S)cc1	408575595	NEVZFKFKJQCCTE-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408754260	JRKJYVQBSNMWCX-BUVRLJJBSA-N	487.784	7.090	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Br)cc2)cc1	408841503	JKORPOPWFUYXIH-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)cc1C	408854642	JQBYBNBGAMUWSH-WSDLNYQXSA-N	492.373	5.140	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)c1C	408869228	PWARNDSWVZKLTH-KOEQRZSOSA-N	494.978	6.367	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3Cl)c(OC)c2)C1=O	408884618	VCHVYNHMVMCOCE-STZFKDTASA-N	474.944	5.168	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)c1	408888504	WFAFVUPXZGCFAW-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1Cl	408990191	NEBRUQCDLNQTCB-NDENLUEZSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2Cl)cc1	409084617	XRLHXBTZOKKYGX-LELXDKESSA-N	494.465	6.261	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S	409141486	ICSLAOPYPCRPBD-JAIQZWGSSA-N	460.983	5.330	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	409213647	SMOMNKJTAPPDMN-FYJGNVAPSA-N	466.540	5.968	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1OC	409341797	BVDCFHRQIRDQJJ-LICLKQGHSA-N	496.473	5.984	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)c2C)c1	977443	WBWCGUYIZBLOIX-BUVRLJJBSA-N	485.540	5.394	10	40	JKCB	
CN(C)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1	2156765	SCJYQZAFQRIIPF-CSJROMOCSA-N	498.051	5.038	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1	3185924	VCAWNQOXZUGKTL-UHFFFAOYSA-N	450.557	5.095	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(Cl)c4)C3=O)o2)cc1	3219845	BGYYUFUXUKWOEP-HAVVHWLPSA-N	495.962	7.248	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1	6019449	KHCCFQZSNYOSDD-GRSHGNNSSA-N	468.340	6.577	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	6599859	VQNZJWSEFCISTE-FXBPSFAMSA-N	482.627	5.264	10	40	JKCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	8425486	CFXWQHJTWYLKQK-OEAKJJBVSA-N	484.943	5.163	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	8821535	WJIVMJKVSHXFNK-ADFUCPMPSA-N	480.951	5.353	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	9444622	UFYMPXHDNVLUFE-XMHGGMMESA-N	461.008	5.359	10	40	JKCB	
COCCN1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	12384091	UAYHGPVQAURMGO-SILSCELHSA-N	486.442	5.031	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	13805934	HZLDNWQJABYXPD-MNAJPBKWSA-N	470.598	5.894	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(c2ccccc2)=NN1c1ccccc1	40007075	MTLADCTYKLCIDI-DIBXZPPDSA-N	464.952	6.754	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	41082947	RNOGGEKEFGKGRH-RQUXIJKASA-N	453.999	5.721	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c1	58846463	WVFNXCUXMIFDIV-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C4CCCCCCC4)c3nc12	79491602	UYYYJNIBMGAEFI-UHFFFAOYSA-N	473.529	6.414	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1cccc(Cl)c1	113832114	GGTDXKUPJMVXSB-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1	223097196	GKWXRSLLOBBYGA-RPBOFIJWSA-N	465.066	6.448	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542796	VDFWZSCYAQYTPV-FTJBHMTQSA-N	497.624	5.063	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	252428168	RUPJLEKJZUBHKS-XBXDLVKGSA-N	481.771	8.066	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(Br)c1	260753023	AVMYULCMUUABPP-UJUVCNOISA-N	467.436	5.841	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3)SC2=S)cc1	408572040	DXJNWAJPSJSTSI-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	408786078	LJMJFYHWNPLFMP-UQQQWYQISA-N	488.584	5.018	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	408786747	MUWSGNCVOPCLFC-GZTJUZNOSA-N	488.758	5.721	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2Cl)c1	408878961	BZROQAAKUPVJPO-LPYMAVHISA-N	488.971	5.819	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c1	408937752	ONKHEDAXTPUCAM-HMAPJEAMSA-N	460.917	5.202	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc12	408938238	PNGMYDVWNNCSQC-BUVRLJJBSA-N	498.922	5.444	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)cc1Cl	408990967	PFPHKXIIVZTLGD-IWIPYMOSSA-N	496.950	6.047	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F	409049534	WDDKEIKBVGLRKD-WOJGMQOQSA-N	485.298	5.378	10	40	JKCB	
O=C1/C(=C\c2cc(Br)cc(Br)c2O)C(c2ccccc2)=NN1c1ccccc1	409088589	GINWNAKQBLMEIK-PDGQHHTCSA-N	498.174	5.752	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S)c1ccccc1	409180326	WJQBDTLDCJDGAT-LDADJPATSA-N	474.485	5.512	10	40	JKCB	
Cc1c(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)c(=O)n(-c2ccccc2)n1C	2373766	WTKHMZYUPYFGIL-HKWRFOASSA-N	463.628	5.188	10	40	JKCB	
CC(C)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1	2512764	DQOXDSKOVALGFU-HSZRJFAPSA-N	484.437	7.943	10	40	JKCB	
Cc1c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)oc2ccccc12	3302659	JCTVBSLXTLSNFC-KRWDZBQOSA-N	467.468	6.178	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)s3)C(=O)N(c3ccccc3)C2=S)cc1C	8451861	NFCBYJJZNWFOCX-UYRXBGFRSA-N	452.988	5.767	10	40	JKCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN(C)Cc4ccccc4)c23)cc1Cl	8717882	DQEUMSCZXMAAKG-UHFFFAOYSA-N	464.949	5.993	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc3ccccc3c2)C1=O)=C\c1ccccc1	8763481	XIPPMOCGYNRZPK-ONCFUAGWSA-N	472.635	6.406	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2C(F)(F)F)C1=O)=C\c1ccccc1	8767548	YXKZPQDXWFMYNY-FQHLDWHWSA-N	476.545	5.882	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S	8820092	IJWGKWPMGVNLMI-HTNUNKGTSA-N	488.675	5.026	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(C)c1	8820142	UVJDQEBCQPKRTP-QNGOZBTKSA-N	487.090	6.666	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	9293617	RCHZVHRPVWVFNH-VTPTUSAFSA-N	483.597	5.469	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	9299690	VWUQXEIOCUXGFG-XQNSMLJCSA-N	490.943	5.081	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C2=O)c1	13881050	IBNLSFFCZBFPQI-BUVRLJJBSA-N	488.613	5.144	10	40	JKCB	
CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(=O)O)c4)N=C3C)o2)ccc1Cl	33055321	JEFRHYBFFMYEOR-ZHZULCJRSA-N	492.915	5.671	10	40	JKCB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1	58850334	PHKZQZAEBSZRCP-RHGYRFJNSA-N	498.963	5.805	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl	223100840	FEHQBVHDZUMQEG-DQEYMECFSA-N	499.511	7.101	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223392204	KZSPFHXPKOJEIQ-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224538592	YCNFYRZORCFBFA-FTJBHMTQSA-N	469.614	5.378	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O	260569850	SQCXOJGGDDJZCS-XANPFCGRSA-N	450.988	5.050	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(Br)cc1	260784266	VNMQOSIEQZEFQH-UJUVCNOISA-N	467.436	5.841	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1cccc(C)c1	408782901	KYHFJQRKPHRLMB-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12	408981555	IFFUXAHZYDDOMS-OEAKJJBVSA-N	453.473	5.333	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1	409171787	AMHDCDYFOOJKJA-HAVVHWLPSA-N	487.625	5.277	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409329672	HLFKSGWWQRBMMC-SXGWCWSVSA-N	465.350	5.162	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c1C	1150794	RYYFWEPYORGYOH-RGVLZGJSSA-N	467.953	5.867	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccc(Cl)cc5)CC4)=NC3=O)o2)cc1	2313768	URRZSMDSNXWCOI-KQWNVCNZSA-N	463.990	5.701	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	3765757	XHBCLCMVYXBNFK-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OC(C)C)S3)CC2)cc1Cl	9086450	CAKPEBQFGKXLQJ-HYARGMPZSA-N	456.011	5.228	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9292162	GNUXIVWQDGLTQN-JMSPFPEISA-N	459.619	5.856	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2\C(=S)C(C)(C)Nc3cc(OC)ccc32)S1	12524253	YUEWQAOQEPRIKD-PTGBLXJZSA-N	469.653	6.350	10	40	JKCB	
COc1ccc2c(CC(=O)O[C@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)coc2c1	13129461	OEECZUJUBLDDKQ-QGZVFWFLSA-N	497.494	5.807	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)c1ccccc1	13881158	OBSXSUCCIJLNGV-DWGAWOTKSA-N	475.635	6.940	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	58883925	MFHCUILTUWWEJU-HAHDFKILSA-N	459.929	5.796	10	40	JKCB	
CC(=O)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](c2ccccc2)CC3=O)cc1	95929197	UYFCGUBKSWEIMR-QFIPXVFZSA-N	484.393	7.022	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CC(C)(C)CC(O)=C32)cc1	102641777	DQMDUMCXUMJFGX-PMERELPUSA-N	493.651	7.635	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222968326	MCELQAWAKJGLTD-GOTSBHOMSA-N	473.473	6.569	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	223054100	DOBBOMLDYGXAGL-GOTSBHOMSA-N	499.478	5.261	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1O	224368912	HZFWMMLVANQLQK-NSOVKSMOSA-N	482.653	6.495	10	40	JKCB	
CCc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1	408576100	PSFJYOPTVCBSQD-HAHDFKILSA-N	492.597	5.811	10	40	JKCB	
CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1	408637873	AOMYAOVWUNZERE-NRFANRHFSA-N	466.537	6.022	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)S2)cc1	408785865	IVBZXSLDGXDCSX-VVNKCDPRSA-N	468.022	5.918	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2c1	408790003	PQJFDWDOFYMJPS-PXLXIMEGSA-N	474.582	5.085	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1	408830153	RJJVHIKHAQETGB-JPMUSVJPSA-N	456.885	5.850	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC(=S)N1c1ccccc1	408901272	CWJNGIAUQJGQFK-QGMBQPNBSA-N	477.350	6.567	10	40	JKCB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	408902943	SMZXVMNXWMLJIO-RNEAKCBISA-N	478.433	6.041	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1	409132574	KSPAITZTTIXVPO-JJIBRWJFSA-N	474.582	5.550	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-]	409329613	GHNKXPIRCXWFDU-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)c1	409329643	GWUFYGSUVQHLQI-MTJSOVHGSA-N	450.541	6.186	10	40	JKCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409338907	QOSHHPRVBALLSI-IDUWFGFVSA-N	456.372	5.425	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	2225767	LTDGRJYSCILIQL-VHSZZVNMSA-N	498.535	6.207	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(OC(F)F)cc1	3338442	YUNBVIASOHSJOX-UHFFFAOYSA-N	478.289	5.498	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	9008981	PLBQMRVLLWOBBB-GBEVANGZSA-N	457.559	5.058	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9010091	ZYIITSFJYWTWLV-PFBJBMPXSA-N	481.523	5.247	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	9262117	XPJALLXDYYBPSX-HKWRFOASSA-N	475.386	5.995	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c1	9659543	CVWGEZPRKNZHAR-BKUYFWCQSA-N	462.036	6.109	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1	13807371	STUJLVXGMWLXMO-ZPFBFIQOSA-N	490.629	5.817	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1	13811251	RIHVBTXQXCPAJJ-KOXZJICBSA-N	483.597	5.355	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(O)=NC2=S)cc1	16292747	UMPOFUWDVSRFED-WJDWOHSUSA-N	457.338	6.233	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cccc2ccccc12	30930104	FYORBNDXPRTZNJ-IWIPYMOSSA-N	458.583	6.792	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c3ccccc3C2=O)c1	89672715	WBGQVHLQZHXFHA-JJIBRWJFSA-N	467.525	5.621	10	40	JKCB	
CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(N(CC)CC)cc1	102969880	PXYJSYWQDGRKQY-LJAQVGFWSA-N	473.661	7.516	10	40	JKCB	
O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)cc(/N=N/c2ccc([N+](=O)[O-])cc2)c1O	104209364	MRNBDIGPVRKDOB-KEEJTVGESA-N	471.407	5.076	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)SC(=S)N1c1ccccc1	113837624	ODKFOMMDYXMZIJ-WPWMEQJKSA-N	476.626	7.249	10	40	JKCB	
CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C	222564704	XXPXMNGXRIWOLS-UHFFFAOYSA-N	477.052	7.121	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230218	VCZNVLRSROFYNL-CLJLJLNGSA-N	461.679	5.030	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390282	ZIMYOWCIAAYPDX-SVBPBHIXSA-N	487.072	6.624	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1	224034977	RVQWBPNSKLNQGV-CLJLJLNGSA-N	484.581	5.095	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224299873	GCHUEVXZEAPYGE-FQLXRVMXSA-N	480.681	6.845	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1	408908736	CXBRAENIVBSBBC-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1C	408968526	WSFNACPNCKNAHX-UCQKPKSFSA-N	461.543	5.801	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(C(F)(F)F)=NN1c1ccccc1	408973055	RQCHBFNLGQYROG-ATVHPVEESA-N	461.237	6.058	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409010980	GOEMBCMDCPCUMS-PKAZHMFMSA-N	482.624	6.595	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)c1C	409123835	IIRHDPOPLDGCGB-ODLFYWEKSA-N	498.435	5.849	10	40	JKCB	
CC(C)C(=O)N1CCCCCCCN(Cc2cccc(C(C)(C)C)c2O)Cc2cc(C(=O)O)ccc21	643583205	YIHQGRANRZCOGK-UHFFFAOYSA-N	494.676	6.343	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	1183298	OVFZFDLNGRLAKT-LDADJPATSA-N	464.534	5.634	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4ccn(CCOc5ccccc5Cl)c4)C(=O)N=C3S2)c1	8984156	IEFUXUWTMFNYGC-YTXHFQNJSA-N	489.988	5.196	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9309651	BOAMVWPUHVQXKO-ZCODJQKYSA-N	477.952	5.554	10	40	JKCB	
CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)SC1=S	9884829	BYUIIWXCTADTRG-FSEGOYHTSA-N	466.378	5.082	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(C)n1-c1ccccc1	12542344	FTPCISMLVBHBTN-UHFFFAOYSA-N	499.039	6.970	10	40	JKCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	13536038	ZRRMZDUBQXAMMI-YBFXNURJSA-N	494.334	5.251	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Br)cc2)c1C	13892760	STSKNICMLXXJQQ-HAHDFKILSA-N	497.433	5.862	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c1	33930439	KJQMGJQORXCTRH-WWOVWOHCSA-N	491.638	5.318	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC(=S)N1c1ccccc1	58822183	YHLMAAILELWBRB-FSJBWODESA-N	495.456	7.402	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58846482	VHNGORNDBKUHHP-VVZHRXSXSA-N	475.570	5.839	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(O)=NC(=S)N1c1ccccc1F	59136273	JYNSDZVOFLXQNP-RVDMUPIBSA-N	471.307	5.520	10	40	JKCB	
Cc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	65297943	MEAKFKBZOWYORL-SANMLTNESA-N	460.021	5.870	10	40	JKCB	biogenic
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	100147833	MWJBJPKNMMQDKY-YBFXNURJSA-N	458.524	6.812	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422638	DIMAKKPCNUKBNT-FSJBWODESA-N	492.666	5.687	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	209468521	LBVJWYRSAHUALZ-LFIBNONCSA-N	450.379	5.262	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	223493822	PENIOPLFUAZTQQ-QRVIBDJDSA-N	450.579	6.473	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1O	224015300	NFFDNTNVHZVSEN-UIOOFZCWSA-N	484.581	5.101	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	224569718	VARHERPOLRXHFM-WUFINQPMSA-N	497.668	5.741	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C	224573916	IPERWRBNKMWRKK-JWQCQUIFSA-N	469.614	5.378	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408754389	KEJBQEUOYOVBKE-WOJGMQOQSA-N	476.916	6.257	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccc(F)cc3)cc2Br)SC1=S	409005409	IKVOUOZXJUDKGI-NVMNQCDNSA-N	482.396	5.397	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409140806	FWZLKGPMXQOXIF-JLPGSUDCSA-N	494.016	5.825	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1	409342724	DYFIYNONIQWQKW-HZHRSRAPSA-N	492.578	5.978	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(C)Cc3ccccc3)C2=O)cc1	8819907	PKLFZUYDGIEMRD-XLNRJJMWSA-N	468.644	5.115	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ncc(Cc2ccccc2Cl)s1	8820277	WWMYAZAAALXEAU-GZTJUZNOSA-N	490.031	5.210	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	9291546	YFQLLZTWDNBXJI-BEBMFCDBSA-N	460.390	5.820	10	40	JKCB	
O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	9434570	AVOHLAKDFQFULW-NVQSTNCTSA-N	472.460	6.071	10	40	JKCB	
Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(C)n1-c1ccccc1	13526562	LWURFRZTUJYRMF-IBGZPJMESA-N	492.531	5.054	10	40	JKCB	
COc1ccc2c(c1)c(C(=O)CSc1nnc(-c3ccco3)c(-c3ccco3)n1)c(C)n2C	13566446	HAQWXEFRIZIJTH-UHFFFAOYSA-N	460.515	5.175	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	13799697	BESXAPLDYZFSHD-AEVKUXSFSA-N	497.576	5.457	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1	13896854	CMYZIZGPLMMQEC-WOJGMQOQSA-N	478.433	5.566	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2c(C)cc(C)cc2C)C1=O	16738296	VJXFDXJGVBGHHI-LKGVNHGVSA-N	464.656	6.178	10	40	JKCB	
CCOc1cc(Br)cc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O	17085963	NLEGVGSCSJKPRL-NSPYISDASA-N	479.440	5.620	10	40	JKCB	
O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12	17197486	QQOOOJBVAOBYQN-MYYYXRDXSA-N	475.504	5.302	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1	20073521	YFRKKKZKGIGVDN-PXLXIMEGSA-N	480.977	5.168	10	40	JKCB	
CN(C)c1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1	25694536	SGCXBSVGZNEIJT-BUHFOSPRSA-N	454.593	8.798	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)c1	34718258	VEQXJUVXURRIAI-LXROFQDBSA-N	499.665	6.221	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	41084175	DVYUTVOGTUTNDC-CUYGAROOSA-N	494.502	5.175	10	40	JKCB	
COc1ccccc1/N=N/[C@H]1C(=O)N(c2nc(-c3ccc(Br)cc3)cs2)N=C1C	100525175	KKKBUWYNHKPHSO-IUBFCHALSA-N	470.352	5.456	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc(Cl)ccc3Cl)C2=O)cc1	103920933	ILIFTVSQWJZSNQ-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
C/C(Nc1ccccc1OC(F)(F)F)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	103921382	GNBCBBCZMAMTPR-QNGOZBTKSA-N	482.418	5.630	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C(=O)NC2=S)cc1	223515232	UCMPETZAXRINJH-OEAKJJBVSA-N	489.641	5.245	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223536180	GUMREETZYZGVCZ-NPRIEWAGSA-N	496.405	5.228	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223608162	FAUWMMDWRFIIGR-QQZPLFJDSA-N	480.008	5.815	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224015947	ZKAZHKXYWPLCBS-RRPNLBNLSA-N	498.608	5.404	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224205300	VGANSRSMEKDATJ-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1	224384753	BEDBQKRUODUFAF-HOSHDJOUSA-N	471.601	5.473	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C	225503376	XQSRMPPAGZXBHV-VSGBNLITSA-N	495.652	5.409	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	260922655	RBUNBQQJHZBOHJ-IZZNHLLZSA-N	454.643	6.199	10	40	JKCB	
CCCCCCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O	408539295	VDPUPVGYALTZSM-XMHGGMMESA-N	489.341	5.214	10	40	JKCB	
CC[C@H](C)Oc1ccccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408603444	QWDBFNPHHKDQTR-IBGZPJMESA-N	456.567	5.612	10	40	JKCB	
O=C1/C(=C\c2cccn2-c2ccc(Br)cc2)C(C(F)(F)F)=NN1c1ccccc1	408969756	TZMYQMGOLAXVFY-AQTBWJFISA-N	460.253	5.588	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1	409145602	RALCYKICHPQSTC-UQQQWYQISA-N	464.546	5.819	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)SC2=S)c(Cl)c1	409146339	SIGRUCKNDRUCAS-PDGQHHTCSA-N	487.027	5.939	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)cc1	409229183	KVNPQKQXMPDYQE-ZVHZXABRSA-N	489.597	5.395	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)C2=O)cc1	409241788	UVONQICGPDFAQR-WSDLNYQXSA-N	464.363	5.258	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)c1	409326386	BEUYGQIVSOQCIU-QQXSKIMKSA-N	499.682	7.547	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1Cc1ccccc1	409328995	BXAZXTIHDGSWJS-ONUIUJJFSA-N	467.615	6.820	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O	409331725	OQQDOXSKZNAHBL-LICLKQGHSA-N	464.406	5.576	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409341804	CFPJJUUIKSHNSM-DEDYPNTBSA-N	479.539	5.505	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC	409348656	OFIPLXDKMVFYNV-VCHYOVAHSA-N	464.406	5.571	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)SC1=S	409378960	SVKNJROODAVYBX-SXGWCWSVSA-N	469.371	5.702	10	40	JKCB	
Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(N(C)C)cc2)Nc2ccccc2-3)cc1	2094656	QCNVRUGGDXCLBD-DEOSSOPVSA-N	455.587	5.708	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)cc1	2701141	PCBLGORECWHMJD-NKFKGCMQSA-N	480.655	5.436	10	40	JKCB	
Cc1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(C)c1	9849688	UZRGXZMVXXSFNB-MYYYXRDXSA-N	493.625	6.615	10	40	JKCB	
COC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc(OC(F)(F)F)cc3)c2C)c(OC)c1	12555781	CWRNRQHWSAWSBG-UHFFFAOYSA-N	477.435	5.050	10	40	JKCB	
COc1ccc(/N=N/c2nc3cc(Br)c(Br)cc3n2C)c(OC)c1	13140580	GEPLYSVALNSRPV-QZQOTICOSA-N	454.122	5.531	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(C(F)(F)F)=NN1c1ccccc1	16735922	KIBCFZGBGNAOOU-JWGURIENSA-N	458.443	5.888	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3Cl)C2=O)cc1	17113115	MAKIVDPWOJGXTG-HINJULBWSA-N	461.949	6.210	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1	27016920	JXTXCXHRWUDSGR-MGPOACGJSA-N	488.613	5.018	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(=O)c1cccs1	33316830	QCYKBKRUYZCXAQ-ODLFYWEKSA-N	471.556	5.521	10	40	JKCB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)c(C)c1	100899147	CBAPORZLOWXHFY-XPNTWCBSSA-N	483.351	5.367	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc21	208218875	RFGLJLFACRKYEN-SYZMQFJCSA-N	484.021	5.737	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230811	WLLMWMPEMPYWBC-IZZNHLLZSA-N	461.679	5.030	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223465287	GJLWRQURQZUDPO-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224206934	CHEDYGAKYFUBRY-KAYWLYCHSA-N	482.609	5.703	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1	224229743	NMDMDMKUVVACRM-CLJLJLNGSA-N	489.044	6.334	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(Cl)ccc1O	224427106	ZJQFZDMGVGBOBN-LOSJGSFVSA-N	493.007	6.164	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)SC1=S	408574314	LRNHGFFDCJFQAX-ZDLGFXPLSA-N	480.533	5.333	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S	408604180	UESCERITPHDKEN-XKZIYDEJSA-N	485.989	6.473	10	40	JKCB	
Cc1ccc(N(C)C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1C	408735780	WTNKCDXYYJLAAC-UHFFFAOYSA-N	456.549	7.375	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Cc2cccc(F)c2)c1	408876363	OSHASQVXCSGTCZ-KGENOOAVSA-N	478.907	5.053	10	40	JKCB	
Cc1c(C(=O)O)cccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408984467	HLPIIZDDFNDRRB-LDADJPATSA-N	450.321	6.471	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(Br)c1	408990280	WRNSLEODPCGSLJ-YVLHZVERSA-N	477.152	5.089	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C(=O)N(c2ccccc2)C1=S	409016832	JRKJPUHKOKVDGI-HAVVHWLPSA-N	486.593	5.228	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1	409034995	ONZGPDXFWGLFRP-FARCUNLSSA-N	481.602	5.310	10	40	JKCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)C1=O	409068693	SMZZXAZRKOMEPP-DHRITJCHSA-N	460.643	6.618	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S	409201612	WTAAMEQTICGJIH-BKUYFWCQSA-N	499.455	5.984	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	409335032	YPXCRMMWKXXOTF-DEDYPNTBSA-N	451.529	5.327	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(Br)c1O	409346587	LOUCRHCNMBPAAP-UNOMPAQXSA-N	486.412	6.112	10	40	JKCB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N=C3O)c2-c2ccccc2)cc1	805286	UMVZWFIBPGBYGC-UHFFFAOYSA-N	463.562	5.874	10	40	JKCB	
CCOc1c(Cl)cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1Cl	8846083	WEIGTWBTJCCAFV-LJQANCHMSA-N	451.394	5.280	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	9293686	CKGMMZDPBCGLSI-MAGDBTHASA-N	486.306	5.582	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	12564916	QRUXEJFDLFGESR-NVQSTNCTSA-N	472.545	5.311	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	13148527	DQMPUXVKCADXHZ-UHFFFAOYSA-N	467.521	5.381	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12	16450193	KWKUZDKVJUFTJF-FYJGNVAPSA-N	473.891	5.149	10	40	JKCB	
O=C(Nc1cccc(Cl)c1)c1cc2cc(/N=N/c3ccc(Br)cc3)ccc2oc1=O	18169568	YMIZLEMFGXBZKS-CYYJNZCTSA-N	482.721	6.877	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccccc1	26687016	AVBYSQZTXCXXDA-QNGOZBTKSA-N	453.585	5.448	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1	33391838	NOWMFJOTFISUNR-JWGURIENSA-N	471.644	5.672	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	59418163	XCSSMKWDFUWCPL-CIAFOILYSA-N	489.515	6.829	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)cc1Cl	102686598	ATDFRRPWDUUNJS-XQNSMLJCSA-N	493.032	6.048	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1	106734397	AGYURFYJPISSPH-JMIUGGIZSA-N	471.893	5.982	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(N(C)C)cc1	223499756	WRCDQASSTCNECD-SXOMAYOGSA-N	482.657	5.123	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	224193644	AUISFZAQLRHIFN-UIOOFZCWSA-N	489.088	6.852	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224237018	XRKJDUDQNQJAQN-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224538479	XKEWVRRMPAJOIV-JWQCQUIFSA-N	469.614	5.378	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224875306	SXGIPVHSOGBCQI-RPWUZVMVSA-N	490.032	5.729	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020500	DBMXZHOKICZZTL-LOSJGSFVSA-N	491.617	5.321	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(/N=N/c4cccc5ccccc45)ccc3O)SC2=S)cc1	408727196	PEPRUXONMLQWPF-PDSYLDJCSA-N	497.601	7.375	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2OC)cc1	408846141	XQKQUQPIYZREGA-RCCKNPSSSA-N	463.331	5.301	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc5ncccc5c4)C3=O)o2)cc1	408987773	XVVLINHVEVSVCH-NCELDCMTSA-N	498.538	6.753	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1cccc(F)c1	409332899	SRTWBWSGSOARNU-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409332972	SVWWYFFRMICAQN-UDWIEESQSA-N	495.538	5.205	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1O	409340444	XJVBXEPDJTXXKI-NVNXTCNLSA-N	454.342	5.098	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1Br	409351172	ZVNFWQAWPHRXCK-LICLKQGHSA-N	468.825	6.296	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1Br	1183093	BYILJPDVUKQZFU-SFQUDFHCSA-N	495.851	5.723	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	1900941	AGSKDGNLVIJDPQ-PHNMUWTHSA-N	498.568	5.287	10	40	JKCB	
CCOC(=O)[C@H]1CCCN(c2cc(Nc3cccc(C)c3)c3c4c(onc24)-c2ccccc2C3=O)C1	2278983	YRODFAULTZVUJP-SFHVURJKSA-N	481.552	5.871	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cc(Cl)ccc5C)c4C)C(=O)N=C3S2)c1	9291670	VCQUHWDCQVCGCD-CHZFGFJDSA-N	488.016	6.032	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c(C)c1	9296611	WCHRRMVZTQSKLB-RGVLZGJSSA-N	460.407	7.276	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)cc1C	9425479	NLOAUYKEMGUEBH-ZFZZVZNFSA-N	468.380	6.064	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1cccc(Cl)c1	12032415	SGHOIEZXKBYNRA-GZTJUZNOSA-N	495.851	5.723	10	40	JKCB	
C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1	12311629	KRTZOJGLXRZFOA-UHFFFAOYSA-N	455.608	6.332	10	40	JKCB	
CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1	12312023	STPPSKNPEVWDAE-UHFFFAOYSA-N	494.978	6.914	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	12761834	BEBFHDHGMMLDMW-NDEPHWFRSA-N	485.971	5.551	10	40	JKCB	
C=C/C=C/N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S	16689111	IQIXLBGKCWKKFV-LLFXVZEOSA-N	492.449	6.872	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	16805722	KEMYLOSSTATXRX-BRYHAGSVSA-N	467.641	5.154	10	40	JKCB	
Cc1[nH]c2ccccc2c1[C@H](c1cc(Br)cc(Br)c1O)N1CCOCC1	20069237	MHYGAXGUKZCGEG-IBGZPJMESA-N	480.200	5.129	10	40	JKCB	
COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	33399405	ZROJOPKMQVWPQY-NVNXTCNLSA-N	474.323	5.882	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	33740826	CSQBVIYGTSZVMY-JHKOBTARSA-N	483.597	5.160	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12	41076257	LQWBWPUUUSIGNE-VHARHKTESA-N	490.386	5.102	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)ccc1Br	59138848	MGCFZSAGDMWQFP-KGENOOAVSA-N	492.373	5.174	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Br)cc2)c1	103296814	JEMQQXCULDTJLD-XQNSMLJCSA-N	460.375	5.658	10	40	JKCB	
CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2ccccc2[N+](=O)[O-])c1-c1ccccc1	104223433	IRJUQLTZZSCWHF-IZHYLOQSSA-N	459.556	7.037	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	107175181	SWXWNVVEFFFFBP-CYXNTTPDSA-N	488.568	5.459	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c([N+](=O)[O-])c1	224171479	SVXNTKCGTFISCE-CLJLJLNGSA-N	499.596	5.583	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	224337182	XYQCXJUIMCTSDB-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1	225770705	XGZMNJRZINPVAA-UHFFFAOYSA-N	486.037	5.225	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408692756	ULFUBGAYXQSLMQ-UDWIEESQSA-N	482.964	5.031	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3C)C2=O)cc1	408766040	YTQVBEZQPWWVKX-RGEXLXHISA-N	480.789	6.891	10	40	JKCB	
O=C1[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC(=S)N1CCc1ccccc1	409139751	DTIHZXGJTMHESV-HSZRJFAPSA-N	451.588	5.419	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1	409224271	KORDNCOMSDZFER-SRZZPIQSSA-N	483.952	5.562	10	40	JKCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Sc1ccccc1	409248671	HWRFKQMERCJUIL-UYRXBGFRSA-N	484.524	5.688	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)SC1=S	409339142	SERRKCQUGLTSHP-WQRHYEAKSA-N	496.423	5.787	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)cc2)cc1C	409347034	NDCUDZIVESVJAB-UCQKPKSFSA-N	491.638	5.277	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccccc3OC(F)(F)F)o2)SC1=S	1411635	QIVRWXPLOGSYQM-WQRHYEAKSA-N	464.490	5.801	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	1805130	UUHJUAHCLSCPCP-BHJKQYKASA-N	496.009	5.946	10	40	JKCB	
C[C@H]1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)C1	3635796	ULLFVNIGCKPCRQ-XHFXOGKZSA-N	468.582	5.988	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	6057117	HRNHLSMYFXVRRX-UMFSSWHCSA-N	491.569	5.621	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)SC2=S)cc1	6973746	QLVHOHYXBMVVND-JCMHNJIXSA-N	477.563	5.329	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(CCOc2ccccc2)c2ccccc12	8916581	RNLFWGOFUBBTGF-KQWNVCNZSA-N	485.927	5.040	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	9293492	AJAYSXRGGPTVRF-AHXGQMSJSA-N	483.597	5.387	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(Cl)cc4C)c4ccccc34)C(=O)N=C2S1	13165701	PKOFAAFELJURGN-UHQOKOQESA-N	476.989	5.849	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(O)=NC2=S)cc1	33561090	MUPJWKAGTPPVKD-FYJGNVAPSA-N	465.962	5.428	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	33630941	BAMQXUIPCRKSFS-BTGMWCQSSA-N	484.025	5.812	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	41084197	QTVFENOODDKURE-JRZACFTFSA-N	495.395	5.463	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	58845648	SNTCOSRTYPAVAU-WZOHSFFVSA-N	477.542	5.231	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1Cl	97999116	UTWUYAJFEPGKKH-KKJJZKEWSA-N	476.019	5.308	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1	103299552	XPRISPMTZSVXLP-PXLXIMEGSA-N	464.338	5.489	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(F)cc1	223535864	IORRAOMOXLBXNU-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224164821	ZSPHXUOGYRTAOK-RRPNLBNLSA-N	452.627	6.229	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c(C)c1	224607722	CTNFEYONGRQNHN-IAPPQJPRSA-N	482.653	6.297	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	260919588	MLCGVPWERLAHCQ-IZZNHLLZSA-N	489.088	6.852	10	40	JKCB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(C(C)C)C2=O)c1	408578553	YRDPAZSIMYHACP-ODLFYWEKSA-N	461.008	5.276	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C(/Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)O)c2C)c1	408633231	JEKPHCQABOTFLE-FYJGNVAPSA-N	464.978	6.059	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)SC(=S)N1Cc1ccccc1	408724827	BHWGJBZFEWPTIQ-PDSYLDJCSA-N	481.602	7.362	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc(O)c1	408738477	YXQRTAGQSMKROW-HMMYKYKNSA-N	450.450	6.032	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2C)c1	408751770	CDVJGGPDRXRZGW-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408867564	LKDXBQNOJHRXQS-BOPFTXTBSA-N	485.298	5.378	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O	408887882	UONSDTWEKSREPQ-WOJGMQOQSA-N	499.325	5.686	10	40	JKCB	
O=C(O)c1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1	408971807	QKZUVLWTVFYAKT-ZHZULCJRSA-N	466.415	5.312	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3[N+](=O)[O-])C2=O)cc1	408987811	YNGIVZUTFRLACS-HMMYKYKNSA-N	460.917	6.427	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccccc2F)c1	409036872	WNHZZWZZEONQPR-YBEGLDIGSA-N	476.376	5.906	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S	409345321	LLDPYGXCVITYCV-WQRHYEAKSA-N	482.852	6.293	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S	409347650	MZBJJHJZVFTGGK-UNOMPAQXSA-N	482.454	6.582	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-]	409348708	OSCUEBWVTKGXBM-GRSHGNNSSA-N	491.377	6.876	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1Cl	1162946	ZBCOUWIVKLSHDW-DJKKODMXSA-N	477.904	5.291	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)n1-c1ccccc1	2087621	REKJHHGBPJOWRZ-UHFFFAOYSA-N	455.608	6.741	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(CCCOc2ccccc2)c2ccccc12	2248951	GIWMLDKRAYNZKA-JJIBRWJFSA-N	499.954	5.430	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc2c(c1)OCO2	8820165	NPPACYQEVFHAQT-NDENLUEZSA-N	489.018	5.469	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821449	XAAWZMXAOFDZKL-UDWIEESQSA-N	460.407	7.222	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1C	9293548	DJKPGBVZUWGGDZ-YMTOHSTDSA-N	487.673	6.691	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	9659995	BMRMOTIQTJXICI-SUYASHRRSA-N	462.575	5.181	10	40	JKCB	
Cc1cc(/C=C/C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)n1-c1ccccc1	12814602	VEHHKSQVCWAWFE-CMDGGOBGSA-N	473.886	5.139	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccccc1	13898879	LEZJQWRALWYVCB-XKZIYDEJSA-N	496.997	6.229	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	13940629	NXTKXKFUTXFHKI-UCXLZHGVSA-N	492.601	5.271	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1C	14166087	VOHCWHFJZNWWKM-YZIHRLCOSA-N	465.018	6.584	10	40	JKCB	
Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)ccc1Cl	26607780	WWDNHSAIJDEYBB-VTGHKQSHSA-N	497.020	5.771	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCSc1ccc(C)cc1	41082451	GVCBYPCXIRSKSA-AYACGFHNSA-N	463.559	5.015	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58848168	XEEREVLOGGGHIB-CEYNDMKZSA-N	495.988	6.184	10	40	JKCB	
COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)ccc1/N=N\c1c(O)ccc2ccccc12	104389041	QYWBQBADPDTPCU-OUYNTLDRSA-N	462.487	6.632	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	223450686	NRJFYISLYALMEH-JWQCQUIFSA-N	455.631	5.281	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	225006698	ZQYDOFYZXCUPPV-ZEQRLZLVSA-N	484.591	6.423	10	40	JKCB	
CC(C)COc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	408599148	FLFBVSJVZXPTFR-UFFVCSGVSA-N	470.660	5.170	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C	408756085	HJPIOJHKZLRIDV-LPYMAVHISA-N	463.379	5.675	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408805240	FGAXFIPJGJQRNW-QGOAFFKASA-N	469.324	5.602	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	408806531	FDPFMGKNMIVWJQ-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1	408807782	OSDOAIQARIRFOJ-FYJGNVAPSA-N	497.334	5.247	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1ccccc1Cl	408866225	GRSOTBAQVISDCB-LDADJPATSA-N	481.335	5.259	10	40	JKCB	
O=C1C(=Cc2ccccc2Cc2ccccc2F)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408870503	FUNFNLKDVLDUBX-UHFFFAOYSA-N	476.507	6.000	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)ccc4C)C3=O)cc2)c1	408879092	FKGVPYWXQFJXMX-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	408883257	UNZJKBHXAWUZEB-WGOQTCKBSA-N	492.531	5.408	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1	408890838	ZZBQVOCZVIYDJV-OEAKJJBVSA-N	488.971	5.819	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1cccc(C)c1	408901528	GHJMLGFAVCHBJS-LPYMAVHISA-N	491.385	6.151	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1	408947772	DDEUCUHSAGMTLX-UFFVCSGVSA-N	495.406	6.128	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc([N+](=O)[O-])c1C	408984540	IDVPAHQGRSKXGV-YBFXNURJSA-N	465.336	6.990	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(C(C)(C)C)c1O	409097836	HODZKSSQMQBZHY-GXDHUFHOSA-N	489.399	5.960	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1[N+](=O)[O-]	409105662	LNELOAUVMXCEMX-CIAFOILYSA-N	493.541	5.700	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409141843	KJWPBJFYWAVKMZ-XHPQRKPJSA-N	487.625	5.210	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(F)c4)C3=O)c2C)c(C)c1	409248515	KWYUFVMHVAFBSS-FSJBWODESA-N	477.561	5.525	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1Br	409338688	OLGCVBJZJDWPIN-FYJGNVAPSA-N	484.440	6.795	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-]	409347736	RAZBWORQDBTGGR-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nnc(Nc3ccccc3F)s2)c(C)n1-c1ccc(Cl)cc1	2619011	CPXGZWSIVGICBT-OAHLLOKOSA-N	487.025	6.845	10	40	JKCB	
Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1	4044207	DMDRBXCDTZRMHZ-UHFFFAOYSA-N	474.604	7.800	10	40	JKCB	in-vitro
CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S	8451871	FJOIVTKYWMOGDO-WQRHYEAKSA-N	482.852	6.293	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	8454119	JARGZFMNINLYIN-SGIRGMQISA-N	450.991	6.276	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9293293	YMDIPWLIMXNLGV-DVELLGFNSA-N	473.989	5.609	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1ccc(F)cc1	9435928	XYAWSWBSDZVFGP-CAPFRKAQSA-N	486.340	7.320	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	9805189	XMSOHUHYGBUPGX-BPYKYCOYSA-N	495.000	5.974	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	9805310	HKPNOVNHDOEMMK-DIBXZPPDSA-N	492.754	7.923	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	15277154	YYVZZXYNTHDDOI-HMAPJEAMSA-N	493.357	6.080	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(C)c(C)c2)cc1	20288924	VAVGXQNYRNWRMA-MOHJPFBDSA-N	456.502	5.357	10	40	JKCB	
CCOc1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1	20289110	UMQZLWUYDYBJRI-ULJHMMPZSA-N	484.581	5.841	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c(CN1CCC(Cc3ccccc3)CC1)c(O)c1ccccc12	21486771	NEVVVCMXOMYIIW-UHFFFAOYSA-N	457.570	6.231	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1	33619738	RAVGMXNMHSLLKN-NEAWXCLQSA-N	469.570	5.101	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1	33749269	SSMGYNZJSLEFLZ-ULJHMMPZSA-N	451.526	5.455	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1	59087165	KYBWQDUWTBSSEN-DEDYPNTBSA-N	487.918	5.984	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)C(=O)N(c3ccc(C)cc3)C2=S)cc1	59484919	ONQHPYDUXXMZQV-UHFFFAOYSA-N	491.410	5.814	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	102987418	WDBJJXLNDUZKFB-UFPGJGBJSA-N	478.375	6.860	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106758155	HBRDHVCOMIGTGX-NDENLUEZSA-N	491.535	5.162	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232672	HOMISWHFSZPLIA-JWQCQUIFSA-N	498.096	5.075	10	40	JKCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Nc2ccc3ccccc3c2)nc1	223953967	WNMHCJMLSXVHAX-UHFFFAOYSA-N	453.615	6.065	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224253637	QVHRHCQQIJWOGY-SXOMAYOGSA-N	496.636	5.761	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N(C)C)cc1	225017676	FNJYDBMETCLBRU-CLJLJLNGSA-N	459.663	5.470	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)cc3C)SC2=S)cc1	408575470	LQDSHZOIXMYREN-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1	408774171	AQPLLVJDADZHJN-MZANGIHLSA-N	475.614	5.433	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)C2=O)cc1C	408849530	WXAMVULDUIRQMK-OGLMXYFKSA-N	499.570	6.126	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C	408968279	VEFRXIKCCQJCTQ-PXLXIMEGSA-N	457.599	5.105	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1	408984609	INVUUMGUZFCUCZ-JJIBRWJFSA-N	468.383	8.132	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409012746	RUEVSVBDGWJHME-WPWMEQJKSA-N	497.982	6.424	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409094667	FSNFJWXTSSZRLI-DEDYPNTBSA-N	485.417	5.976	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409127830	QNEHRQPTRRMBNM-OEAKJJBVSA-N	485.436	7.070	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc(C)cc1	409204386	GJGWWAXNYXAIEZ-OEAKJJBVSA-N	464.612	5.538	10	40	JKCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O	409221104	KYNSSPDYMVHTKN-BOPFTXTBSA-N	466.344	5.145	10	40	JKCB	
O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Cl)c(Cl)c1	409340259	SYDJCTXPAQECNU-ODLFYWEKSA-N	490.393	6.157	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)c1	409350045	XAICXWPZOXPCSL-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1	2700602	SDOXFSBAELIPCT-AMCKHAKVSA-N	475.591	5.601	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1	4124724	GCDYEUJHEFPGOY-GDLZYMKVSA-N	450.538	5.102	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccccc1Cl	8407922	ZBWNWEGVPILISL-OQKWZONESA-N	476.960	6.003	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1	8743487	DNCXPRRTOUPJFG-WOJGMQOQSA-N	465.849	5.632	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c1	8821453	LSFRBHFXXFFHOY-RGVLZGJSSA-N	474.390	6.862	10	40	JKCB	
CCCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1	9210585	WSYKPGVEDCAENQ-UHFFFAOYSA-N	491.462	5.472	10	40	JKCB	
CCOC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9234940	VJBWWJKKPGJPNF-DSNGMDLFSA-N	483.951	5.337	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1	16292302	SCVKQBDEJJVFRW-MYYYXRDXSA-N	475.635	6.292	10	40	JKCB	
O=C(Oc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1)c1cccs1	16430597	NYLYPTQFUZQTPB-ATVHPVEESA-N	476.863	5.969	10	40	JKCB	
Cc1cccc(OCCCOc2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	17112303	NBZLNCVZZGAXMP-FMSSAWJPSA-N	495.604	6.147	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	41108495	AEQQWFLVITXJSX-JZSRTLTASA-N	468.026	6.111	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	113355172	QGJSJHSBEKSIAQ-GAKIBJFNSA-N	476.554	5.021	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208223802	ZGARZQWIWSMNPG-BDQMVGTNSA-N	455.023	6.607	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c(C)n1-c1ccccc1	215055270	AILOZXWMEXFAHH-FYJGNVAPSA-N	467.388	6.093	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc2ccccc12	223093469	IWZUNWWQFREMBS-FQLXRVMXSA-N	480.681	6.948	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223102712	UURMQBKSPIKTRP-FTJBHMTQSA-N	479.093	6.756	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	224450263	SLUGHEUMALBUDD-DQEYMECFSA-N	458.562	5.506	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224538223	RGGGNIASPHBDEK-IZZNHLLZSA-N	469.614	5.378	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C	224568195	QANWEYYMAXGXLW-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)C1	225669122	SOYADIMBGAWTGA-FGZHOGPDSA-N	475.727	7.263	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	260909901	AUISFZAQLRHIFN-IZZNHLLZSA-N	489.088	6.852	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1	408602913	OYMHEWICSFQORT-LPYMAVHISA-N	469.990	6.772	10	40	JKCB	
CC1(C)OC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C(=O)O1	408733664	ZHECOXLQCJXQSO-UHFFFAOYSA-N	494.503	5.939	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Br)cc2)c1	408840054	AQCKHRLSRBVXDP-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)cc1C	408869825	UIZGDJJXBBXHNZ-YZSQISJMSA-N	494.978	6.367	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1	408905160	UMRWSOYXVRNCFQ-HYARGMPZSA-N	459.933	5.472	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc(Cl)c1	409025481	VOJYSPVGZFGPLL-ZDLGFXPLSA-N	465.358	5.078	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409070362	YTNMVWIWKOYOPN-CIAFOILYSA-N	481.335	6.077	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	409235871	CWWUBRLYCVLQCV-OGLMXYFKSA-N	495.554	5.905	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	409249726	VIVBFYOQKXKJEL-UHFFFAOYSA-N	497.620	5.434	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)c1	409343370	GSGUKXLKGYUGMH-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1	2298196	KLUJNCBIGIIBNT-HAVVHWLPSA-N	458.608	5.892	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(C(F)(F)F)c1	2374892	PAITTWHQHCNPCS-GZTJUZNOSA-N	484.952	5.979	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1	8496010	QPOJJJYYSDFZQV-DTNFBPRUSA-N	477.586	5.327	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9158995	DVYUTVOGTUTNDC-ZHQYWZIOSA-N	494.502	5.175	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)c1	9346400	YDRCZTTXTLKSBV-JWGURIENSA-N	479.627	5.176	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	13802175	UMHLVKGSUDLAMY-XLNRJJMWSA-N	493.654	5.459	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	13811557	OGFFLAXRDFHZTR-FMQLZUAWSA-N	475.577	5.915	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	16712299	REYBWBRZKCXMLY-CBXNMNPBSA-N	480.523	5.190	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S	16805315	DBERPVMBVFQDJL-UYRXBGFRSA-N	462.625	5.760	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	17143476	NVYIPSZLOYKJNT-KKXYHZGYSA-N	491.650	5.351	10	40	JKCB	
COc1ccc(CCN/C(C)=C2/C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1	18284547	KKFXUSRQAXYWNX-HKOYGPOVSA-N	468.582	5.162	10	40	JKCB	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	27019604	OBZRLFXMBOIBAU-JJIBRWJFSA-N	473.554	5.780	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	33689231	HNAQJCWBKBMPHM-XGLBLSKHSA-N	474.417	6.210	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	58846688	DEAZGKGSEHODFB-CLCZQPDDSA-N	488.609	5.717	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(OC)ccc4OC)cc3[C@H]3C=CC[C@H]32)c1	58849393	OCGMIFZODNCHOG-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59138968	GXPFLYOLJDKWQF-DIBXZPPDSA-N	475.548	5.986	10	40	JKCB	
O=C1/C(=C\Nc2ccc(Nc3ccccc3)cc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1	103004357	RNARDCZLLJQVHT-ITYLOYPMSA-N	499.492	7.089	10	40	JKCB	
Cc1nnc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)s1	104090890	XFFJKYLOCCOVKO-MPCWFZQZSA-N	494.566	5.038	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223894917	TUSAJNFSYASRMA-FQLXRVMXSA-N	495.696	6.295	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1C(=O)O	224168135	CKLUPHBHWIOTDX-DQEYMECFSA-N	468.582	5.364	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224204120	RRMGUIDYWWQYHH-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224302632	YBPQMPXHBOEFQC-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224401309	HTOBRVLDXVSYPZ-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224531671	PGYMOCZZAKIBJO-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C\c2cc(/N=N/c3ccc(Cl)cc3Cl)ccc2O)SC1=S	408727726	XFUSRNMZPMGCRF-HGMPJFPSSA-N	468.343	5.400	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	408810103	IEUNLHQEKNKVEI-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Br)cc2)cc1	408840988	FAKBAJAUKVGOJR-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)c1C	408880243	FPAZCBCXVCPSDG-KGENOOAVSA-N	479.363	5.867	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	408890422	SWCGSILTDLHDSN-GZTJUZNOSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1	408999372	COMNYPJEUAWIKS-GZTJUZNOSA-N	483.343	5.168	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	409036569	RSFHMHJAYKBDLR-JMIUGGIZSA-N	482.454	6.438	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	409037813	UCWXYRPCCBHAMG-MDWZMJQESA-N	452.766	6.102	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)NC1=S	409106862	PQQAIFKGOOICQU-UVTDQMKNSA-N	491.783	6.047	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C	409138706	GVVUSKAQFSZWRT-LFVJCYFKSA-N	465.018	6.725	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	409333700	VGDIHJHKVKPVGR-ODLFYWEKSA-N	492.018	5.313	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	1421571	XOXJTRHUHDAFJH-PCLIKHOPSA-N	474.586	5.131	10	40	JKCB	
Clc1ccc(-c2c3sc(N4CCCCC4)nc3nc3nc(N4CCCCC4)sc23)cc1	3351261	GXERFPVQOZHLIE-UHFFFAOYSA-N	470.067	6.602	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9234069	CHRGOZMUFAEYQE-SDHOMARFSA-N	471.915	5.502	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	14413829	MHUZBZZQVPVOLK-STZFKDTASA-N	463.892	6.149	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1	27549559	UDYODLBMOLZZFD-YJFMCDHMSA-N	462.575	5.330	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2cc(C)ccc2C)SC1=S	33430121	DDKBNAZQAVDIHR-QNGOZBTKSA-N	457.617	5.381	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	35190346	YUANPFDRNNIFMG-JTPDXPAISA-N	457.962	5.696	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	41108333	PJFFWYRFHMWLIP-BOJMXSMESA-N	497.624	5.718	10	40	JKCB	
CCCCCCOc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1	41108596	RMVPTQUEQFFHIA-CLCOLTQESA-N	485.671	6.325	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1O	59484785	AJYURYIOCADCHI-XQNSMLJCSA-N	478.504	5.446	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1	83260620	JKQIKQOKJKQIBP-XSFVSMFZSA-N	463.327	6.018	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)cc1	96759082	DEHHSQXFFUJZAW-CYVLTUHYSA-N	480.955	5.856	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1	103917604	DRJLUKHBRSXBEC-ITYLOYPMSA-N	485.544	6.236	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)N21	222671290	RDWDLYKGGMOHKV-CDNPAEQRSA-N	470.564	6.487	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223057491	JUKSJWJBFQVJND-DHIUTWEWSA-N	489.472	5.805	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223601510	NYFYKDWVMMVHPX-KOWBDXASSA-N	480.008	5.815	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224206873	XRVDWVVJDKSMPK-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224535556	UXRILWBVMKFMLF-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224622677	RORKYQWFPIJZFR-FTJBHMTQSA-N	498.608	5.158	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	225748286	ZQEXFWGGECWIDK-HUOSYWTJSA-N	487.662	5.708	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)SC1=S	408571497	BGVNQRRYEWBOJG-YVLHZVERSA-N	481.426	5.621	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1	408739597	CVPCFRLZIAAERT-LDADJPATSA-N	471.296	5.319	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1	408760384	XSSYGRIUVOEYGI-WOJGMQOQSA-N	474.925	5.824	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1OC	408766174	ZXBYAZSVONTFIB-DEDYPNTBSA-N	497.776	5.954	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Br)cc3)C2=O)c1	408809537	HUSGZWNKJDQTOT-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
Cc1cccc(COc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1	408871184	YGJOCEBPOQLSNE-UHFFFAOYSA-N	488.543	6.157	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1	408880017	IFPFEOGVIAWDBS-HYARGMPZSA-N	478.907	5.287	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408891733	CHKNELMLXZONKL-CQKAXJAZSA-N	453.538	5.699	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N3CCCCC3)c12	409145073	HPWFGIXFYVWMQW-HMAPJEAMSA-N	493.654	5.211	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1Cl	409159879	AXDDJUDZQFITPA-XMMPIXPASA-N	498.069	5.942	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)CC	409340178	RRXJGQQQNSKBRD-KELUXRKGSA-N	458.561	5.577	10	40	JKCB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)N1c2ccccc2CCc2ccccc21	1346203	OEOAPKZJIHSELL-UHFFFAOYSA-N	480.549	5.947	10	40	JKCB	
CC(C)C[C@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O	1782187	HBDBGQMJGQFEMC-NAKRPHOHSA-N	492.575	5.462	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1C1CCCCC1	1892430	KEXOODWMQITNLF-QNGOZBTKSA-N	480.033	5.702	10	40	JKCB	
Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4ccc(Br)cc4)c3C)c2c1C	2679236	DDXUEVBRRKKOID-UHFFFAOYSA-N	486.460	6.453	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nc(-c2ccccc2)cs1	8820524	GPDAZIUFSSALJB-NHGYFMBTSA-N	491.663	5.986	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1=O)=C\c1ccccc1	8820625	YLPDYMWKABXPAT-WAFIZZPZSA-N	497.856	6.433	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821384	HQEXWXRFNZDMKJ-CNJGYECJSA-N	476.019	5.620	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1	9041912	KKAGIJKORMDKNJ-BOPFTXTBSA-N	459.310	6.244	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	9309747	LPKJACAGUKEXES-XDXPSGJKSA-N	482.053	6.646	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N/c2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	13403841	NVBYMNFFVGBGMZ-ZZCCQBHSSA-N	470.510	6.254	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S1	27905437	WIWGQIIUXXPHFX-LZYBPNLTSA-N	455.750	5.332	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	28120291	ASQPQDMMMJIYKI-FBKCMUNRSA-N	498.445	5.117	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	31849081	MNKKEDLZAPAUGM-JLFKZYKSSA-N	463.971	6.388	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c(C)c1	58846205	BMKUXHMOASNOQQ-UNVFRBQDSA-N	465.018	6.584	10	40	JKCB	
Oc1ccc2c(oc3c(-c4cccc(OC(F)F)c4)c4c(O)nn(C5CCCC5)c4nc32)c1O	95473047	QRUIXBZJMKLFIO-UHFFFAOYSA-N	467.428	5.831	10	40	JKCB	
CC(C)c1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1	100692706	VIQPEYAMIVDDQB-HJOGWXRNSA-N	499.950	5.159	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C	208227145	NNYUAYBMCPCXDT-OLIBUNOHSA-N	498.048	6.045	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	222971579	TVPGCUASYDLGEA-RPWUZVMVSA-N	462.619	5.268	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171703	NNSRPZIDYIHOMA-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403242	UNFCJIHXNDHLDC-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	224567437	KYJUILKOGBTGQG-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(Br)cc2)cc1	408757810	CMCLWSBTDRNFOI-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	408768480	GCESIKZAFURBRI-MYYYXRDXSA-N	470.569	5.597	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)c2C)c1C	408806938	CEZBKTKKVRITGH-AGJFCMQUSA-N	498.716	7.765	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl	408887516	RHLHJRBYPHTYTO-ATVHPVEESA-N	485.298	5.378	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408892546	CHHPTUABRSPFOP-BUVRLJJBSA-N	498.579	5.564	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	408964464	CNJKLSJPBOZRKD-XNTDXEJSSA-N	461.301	5.224	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)c(C)c1	408991146	ZGXNBHFQSNJSIJ-MTJSOVHGSA-N	461.949	5.339	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)SC2=S)c1	409108691	YPXGSRRDWPJUHQ-LFVJCYFKSA-N	484.577	6.637	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O	409326368	AZPYWIQTIHHUMP-PXLXIMEGSA-N	454.016	7.078	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1cccc2ccccc12	409334910	WYNRHUFXZRFTPE-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409340579	ZPNMJNWAGMHSJG-MOSHPQCFSA-N	495.538	5.205	10	40	JKCB	
Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c1	409353279	ZZOYEFMHIFVHJM-UUYOSTAYSA-N	490.537	5.245	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F	8828095	FKHPSBHDRKODAX-YKYHQJSKSA-N	462.518	5.492	10	40	JKCB	
CCN(CC)c1ccc([C@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1	8863616	KSNSKTFRZBSICN-RUZDIDTESA-N	487.452	7.411	10	40	JKCB	
O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9234448	NLQRIIFGZITTRC-GMQQYTKMSA-N	487.580	6.064	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3Cl)o2)SC(=S)N1C1CCCCC1	9310673	KJKRFRPIZZAOPU-WOJGMQOQSA-N	482.852	6.896	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	9425471	VBQGSRBFNJUEGG-SCORJZKRSA-N	462.918	5.298	10	40	JKCB	
CSc1cccc(-n2c(C)cc(C3=NN=C(Nc4cccc(C(F)(F)F)c4)SC3)c2C)c1	12537965	FAMZXUOYHGKIKX-UHFFFAOYSA-N	474.577	6.754	10	40	JKCB	
CN1/C(=C/C=C2/SC(=S)N(c3ccccc3)C2=O)Sc2ccc(-c3ccccc3)cc21	13370476	SBKLBYCNLDPPIH-VQIPHFLVSA-N	458.633	6.686	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1	13898636	DMHBQBQJERLKPK-AKZCVUIYSA-N	492.601	5.127	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3Cl)C(=S)N=C2O)o1	15013570	UDZLOHSTKQOKOE-WJDWOHSUSA-N	466.902	5.278	10	40	JKCB	
O=c1c(-c2ccccc2Cl)coc2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc12	19793072	PYPZPBCLWOOIKU-UHFFFAOYSA-N	460.961	5.137	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2	58846149	KNXFSTAMEBBWPC-QHWMMSMNSA-N	488.609	5.663	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1	58848535	JSYIYZUMWRORBZ-BXTSTYNKSA-N	488.653	6.620	10	40	JKCB	
COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(O)c1O	85878702	YXFLXJJMJPCIPA-UHFFFAOYSA-N	491.500	5.017	10	40	JKCB	biogenic
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223413086	PKSSFXZKGNKKIQ-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O	223566821	GJVRQURIRXZMKH-QHSFOXILSA-N	491.657	6.171	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	223600631	VHZODYBDWMHQNR-WQZUMXOESA-N	475.658	5.635	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1O	223859253	XNZSZKTWKGQROP-DQEYMECFSA-N	456.571	5.077	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864149	LNHFXBGPQOFSBS-CLJLJLNGSA-N	498.608	5.378	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(Cl)c1	224603354	WQXYCSUSDVKGGY-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21	260924332	ULULHAMZQUVHQL-RPBOFIJWSA-N	475.061	6.544	10	40	JKCB	
O=C(Oc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1)c1ccc([N+](=O)[O-])cc1	408724224	IFNDQNCQUHVZMA-XSFVSMFZSA-N	462.508	5.220	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1	408843388	MBOJSLOURSHBBV-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)c(C)c1	408883719	VQZLAQLYHCWPSG-KOEQRZSOSA-N	478.523	5.853	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3Cl)cc2Br)SC1=S	409006874	ROHFUWHGPBLTLF-NVMNQCDNSA-N	498.851	5.911	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409059250	LZTSPKPMMDBCMD-AUFPJITRSA-N	484.596	5.845	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1CCC1CCCC1	409125775	KJNNYEUNAJIYDI-UQQQWYQISA-N	494.657	6.641	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3c(F)cccc3Cl)c12	409133707	MPYUUZMCMSVFIT-JAIQZWGSSA-N	459.011	6.266	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C	409139101	MMFVCVHYKLJUHZ-WSDLNYQXSA-N	469.563	5.628	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)c(Cl)c1	409139826	FPCUIAOGUZJJTA-OVCLIPMQSA-N	485.787	5.096	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(N2CCOCC2)cc1	409204622	BSFXNLJLHKNRDI-XHLNEMQHSA-N	475.592	6.150	10	40	JKCB	
CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC	409209475	BVRUMEVISCUCMV-VCHYOVAHSA-N	497.516	5.062	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c1	861924	IELCYJMWJPCCRA-UHFFFAOYSA-N	494.528	5.393	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@H](C)CC)cc4)c3C)C(=O)N=C2S1	2199470	SEHYQXFYBYKUPL-ULZYWYFLSA-N	465.648	5.937	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1	2702055	XKZCCKDQVSCNSR-JCMHNJIXSA-N	489.647	6.405	10	40	JKCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c23)cc1	8717883	NIRVXWSUHCFHDV-VKGTZQKMSA-N	462.590	6.108	10	40	JKCB	
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c(C)c1	8765586	KQFKIEPJJUVKRP-HMAPJEAMSA-N	482.627	5.432	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9309322	LBNZLKVTJGWPRU-NUSWOBFYSA-N	461.497	5.040	10	40	JKCB	
CCOC(=O)Cc1c(/N=N/c2ccc(OC(F)(F)Cl)cc2)c2ccccc2n1Cc1ccccc1	12413469	DIBLIVQCAREECL-NVQSTNCTSA-N	497.929	7.379	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14166015	RZLDUIBSIPFGDS-UFPGJGBJSA-N	465.018	6.584	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223614803	KQDBFUGVPLBZJI-DNNAEVNTSA-N	466.622	6.871	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1	224402148	CYHLMMMZGJABEC-KAYWLYCHSA-N	485.632	5.871	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	408804633	ZCMHVGNBAVWGQG-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc3c4c(cccc24)CC3)N1	408840807	GFSGOHZAYVZBCB-PHKGMDLESA-N	453.541	6.540	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)c1C	408887520	RHRCZVWPICHQRS-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C(C)C)c3C)C2=O)c1	408897886	JLEUEOGIJBEJCL-BUVRLJJBSA-N	455.558	5.501	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)O)c3C)C2=O)cc1	408984496	HTBGDYNEBVSQPW-HMMYKYKNSA-N	459.929	6.217	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	409070817	NIBMXDQQHOCGLO-YUMHPJSZSA-N	468.597	6.205	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409083884	WOEXCZUPMQNQNU-LELXDKESSA-N	463.983	5.438	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409133798	SBALYZKDYAIWRQ-JLPGSUDCSA-N	494.016	5.825	10	40	JKCB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O	409202462	QWQNJVSZZTUISS-ODLFYWEKSA-N	480.508	5.493	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(-c5ccccc5)cc34)c2C)cc1C	1896151	FSRDZEZJKZVUJT-UHFFFAOYSA-N	483.662	7.358	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1	2223552	MFZIPPVXDOBBAI-GZPJKGAFSA-N	471.557	6.123	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2O)cc1Cl	2403412	NYCYSEKHWVVVRS-MTJSOVHGSA-N	461.949	5.544	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3C(C)C)C(=O)N=C2O)cc1	2438383	RSMNMIXWGXUVOX-HKOYGPOVSA-N	471.557	5.124	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	8821299	ZOJFVXFKAOCAQZ-YNGKYYQNSA-N	476.019	5.764	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1	8821469	HLQVCDBWNIHJIT-UDWIEESQSA-N	484.396	6.318	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	8952225	TYEMATUKFKXUNU-GBDYGOOCSA-N	456.542	5.119	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(CC)c4)cc3)C(=O)N=C2S1	8984025	SSODIVPQKJZECO-DHPBROCDSA-N	462.575	5.044	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1C	9188586	UKWQLYNAPLYMFE-STZFKDTASA-N	453.673	7.010	10	40	JKCB	
Cc1nc(COc2ccc(C(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)cc2)no1	10215985	FOQPDHVRYPKAGI-ZQHSETAFSA-N	471.473	5.168	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1	13562234	HBFNUMBDJFOQKV-LJQANCHMSA-N	458.071	6.587	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1	16678581	XKZCBSZQLATAOF-UHFFFAOYSA-N	454.357	6.900	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1C	16700627	KOYHYYIFTSIHPO-XKZIYDEJSA-N	463.628	5.714	10	40	JKCB	
CCc1cc2c(C)cc(=O)oc2c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O	22039150	VKGUIUYKOWBOJR-UHFFFAOYSA-N	468.597	5.277	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	41076346	KAWILZJASSUMCQ-VHLAIDERSA-N	484.000	6.086	10	40	JKCB	
CCOc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1	65298006	QUFDXXSDSJYAMJ-MHZLTWQESA-N	490.047	5.960	10	40	JKCB	biogenic
N=C1/C(=C\c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	80348290	SRDQRXRHAFINEL-BQFUFWTISA-N	492.626	5.947	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)o1	208722214	DTZUQLJSVCKRTF-ODLFYWEKSA-N	472.931	5.923	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223367138	KMPRIBVWHWKMTD-JWQCQUIFSA-N	486.597	5.041	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)nc1	224405996	MAZFXDQFXATWER-JWQCQUIFSA-N	457.578	5.509	10	40	JKCB	
O=C1C(=Cc2ccc(N3CCCCC3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408960857	OWKYFEYTNGOJAF-UHFFFAOYSA-N	451.526	5.260	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N(c2ccccc2)C1=S	409018602	NFHCUEGHICLREY-CJLVFECKSA-N	458.539	5.103	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409059737	NUNHETZZDQBMDW-XYGWBWBKSA-N	498.579	5.375	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cn(Cc3ccccc3Cl)c12	409132977	PSMGBRZVZKYUPB-YTLMXASBSA-N	497.085	6.286	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)SC2=S)c(Cl)c1	409209440	GZWLBOMBJDHABW-ODLFYWEKSA-N	498.969	5.153	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1Cl	409342704	DVKRUVZXJWPLDN-VXLYETTFSA-N	496.824	7.321	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N=C(S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	1273223	NUWDDSBYNXPKFP-JAIQZWGSSA-N	470.381	5.644	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21	8450591	HYSIBZNCSPXTMQ-NVOZUQLISA-N	487.585	5.004	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)=C\c1ccccc1	8820588	PBHDVRUPWCRKSN-IQHJCYGTSA-N	480.699	5.699	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN(C)C4CCCCC4)c(O)ccc3c2=O)c1	19793129	SATHWKXEJJAURU-UHFFFAOYSA-N	475.507	6.691	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1C	26593356	XZDHFJZYWKRFPI-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c(C)n1-c1ccc(C(C)C)cc1	59105060	CVOCDYUHIKIQMN-WSDLNYQXSA-N	471.513	5.453	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)o1	108119073	CPNFODBZYZIXFP-UFFVCSGVSA-N	484.961	5.672	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc21	208471582	ZVULJFOKRGZXEQ-RGVLZGJSSA-N	463.965	5.255	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	222970433	VRZJNRIQJBSIML-ZEQRLZLVSA-N	453.055	6.224	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c(C)c1	223231359	CVKDORBUBPYWBA-BDYUSTAISA-N	475.706	5.339	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	224207952	ZOOOYWCAIPJUSA-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1	224435337	CAKOXMYBTZNNHZ-SXOMAYOGSA-N	485.632	5.871	10	40	JKCB	
Clc1ccc2c(c1Cl)N[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1CC=C[C@@H]21	408736327	QIDFTAQNSAJUMO-NYULUDCUSA-N	472.415	8.552	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	408737939	KVLYCZKZNWBXMC-OQKWZONESA-N	491.503	6.285	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1	408760119	RYPYVFHNGURSRV-FYJGNVAPSA-N	467.750	5.946	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(F)c1	408789572	MNHPIBQJYMRFFF-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(Cc2ccccc2Cl)c1	408871020	XCSSGCDWMKJMRL-XMHGGMMESA-N	481.335	5.259	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)/C1=C/c1ccccc1	408937330	NZLMQFKTEJEIRC-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	408960899	PNZYKXXSNBKYES-UCQKPKSFSA-N	465.018	6.855	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)SC1=S	409008510	ZNDFOGREZSZTAG-SXGWCWSVSA-N	458.819	6.447	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409148646	ZEFSRPPWHGTPMO-ONUIUJJFSA-N	491.056	8.036	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)o2)ccc1Cl	409199258	AVPHGKUQRJEMIT-BKUYFWCQSA-N	483.998	6.491	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(C2CCCCC2)cc1	409204465	GVNANFKROXUXMP-DFKUXCBWSA-N	472.632	8.361	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2)cc1	409228792	FGIDBBRXBHRLHE-PXLXIMEGSA-N	458.608	5.594	10	40	JKCB	
O=C1/C(=C\c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(Br)c(Cl)c1	409351202	ZEFNOKQXSIJRGB-LZYBPNLTSA-N	478.776	5.615	10	40	JKCB	
CCOC(=O)c1c(C)nc2c(c1-c1cn(-c3ccccc3)nc1-c1ccccc1)C(=O)c1ccccc1-2	1652337	NESPCIIZNOJNMP-UHFFFAOYSA-N	485.543	6.298	10	40	JKCB	
Cc1cc(=O)oc2cc(OC(=O)[C@@H](C)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)ccc12	1737616	QPUQVALGCLVELQ-QGZVFWFLSA-N	468.461	5.248	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	2224335	ASIGJLIWVBVUQX-UMTXDNHDSA-N	498.535	6.207	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1c1ccccc1	3097600	XTUHUUCOPPPORK-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(C(=O)OC)=C2C)cc1	3652144	VTYZYNFPVIYFLJ-UQQQWYQISA-N	498.579	5.456	10	40	JKCB	
CC(=O)Oc1ccc2c(c1)Cc1cc(/N=[N+](\[O-])c3ccc4c(c3)Cc3cc(OC(C)=O)ccc3-4)ccc1-2	4972477	OZBRKECUISGBPA-MVJHLKBCSA-N	490.515	6.605	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1	8450588	USDCJURYLAXZGK-VKPUNFQASA-N	471.586	5.304	10	40	JKCB	
O=S(=O)(Nc1cc(SCc2ccco2)c(O)c2ccccc12)c1cccc2ccccc12	8870788	GHNPUFSDMQKOOM-UHFFFAOYSA-N	461.564	6.385	10	40	JKCB	
O=C(c1ccco1)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1	9260620	KMPHNULCABOPCQ-VWLOTQADSA-N	474.520	5.829	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4Cl)C3=O)c2C)c1	9260765	ZVIJNZPKLPXQSZ-OEAKJJBVSA-N	477.948	5.017	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	9292215	NEUXKOSJEIFZES-NJPXYHLQSA-N	488.444	6.600	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=S	11667031	GMTROOZXLLQQPX-AQTBWJFISA-N	474.475	7.426	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1cccc(C)c1	13810439	ZRGJNYITNYYVPJ-BOJMXSMESA-N	481.577	5.887	10	40	JKCB	
O=C(C1=CN(c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2S1(=O)=O)N1CCCCC1	21359440	WOJMAQOXHPMGMW-UHFFFAOYSA-N	470.900	5.138	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1	32124748	ODZQNDPHAWGSCC-FYJGNVAPSA-N	499.038	7.114	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(Br)c3)C2=O)cc1	39132430	GFNLJURBNSEVFB-KGENOOAVSA-N	463.331	5.301	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1	59198522	FFWZOPYHIHVXDG-GZTJUZNOSA-N	487.762	6.034	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113833932	LPUZJHNWAYKWPX-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(=O)O)c1	225017370	JDAQVMFUMAFCNT-DNQXCXABSA-N	460.603	5.102	10	40	JKCB	
CC[C@H](C)Oc1ccccc1/C=C1/C(=O)N(c2ccccc2)C(=S)N(c2ccc(C)c(C)c2)C1=O	408604618	VTABNPNFVYEJDZ-SLTFVWKPSA-N	484.621	6.229	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2)cc1C	408725779	HSLFUFWDEHAMTQ-GQIDUNRTSA-N	498.391	7.972	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1cccc(C)c1	408743281	RWYIGKNPJJCMIW-FYJGNVAPSA-N	477.354	6.326	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(Br)cc2)cc1	408753912	OPSZFAGYPBQPHQ-XQNSMLJCSA-N	460.375	5.658	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408767445	XSIRADXRBNKOHR-HYARGMPZSA-N	477.358	5.609	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	408800902	QDRXBRMYHAGAFA-NTUHNPAUSA-N	483.735	5.111	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Br)cc2)c1	408843232	RCFWPJCCXAOEBQ-CIAFOILYSA-N	486.196	6.899	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCc2ccc(Br)cc2)c(C)c1	408859644	YTFAOHUROMLCAS-BUVRLJJBSA-N	475.386	6.451	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(/N=N/c2ccccc2)ccc1O	409037035	SEWKYQKGLXMTLM-KHFBMEQWSA-N	472.373	6.309	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409038030	DGTKENOUYZBAAW-XFFZJAGNSA-N	487.211	6.755	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1	409142316	YBKIYGSLMKSPQY-KQWNVCNZSA-N	495.442	6.526	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1	409142770	BVBCJWZVZFRYAS-QFIPXVFZSA-N	489.996	6.169	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)C(=O)NC2=S)c1	409220471	ADIXWYCANOYLNM-HZHRSRAPSA-N	474.607	5.376	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1Cl	409244285	AQEHTNJSNJKDMM-UDWIEESQSA-N	499.444	6.284	10	40	JKCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc12	4289898	QNWBCUHFOOGDQQ-MRXNPFEDSA-N	465.899	6.602	10	40	JKCB	
CCCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N(CCc2ccccc2)C1=O	8431373	AAZYEUANDYWUPT-SGWCAAJKSA-N	476.576	6.210	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	8856340	HGARYGCUFCAUHR-MHWRWJLKSA-N	472.240	5.032	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5ccc(F)cc5)o4)S3)CC2)cc1Cl	9309562	FVRCQHPSXDRFCX-HZHRSRAPSA-N	481.980	5.840	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(Nc4c(C)cccc4C)s3)c2C)cc1	13113402	DTQINDNAJCNUNQ-UHFFFAOYSA-N	492.670	6.680	10	40	JKCB	
CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1[N+](=O)[O-]	13527292	QZUMYRACBFQJQQ-RIYZIHGNSA-N	491.345	5.293	10	40	JKCB	
COc1ccc(N2CCN(c3cc(-c4ccccc4)nc4cc(-c5cccc(OC)c5)nn34)CC2)cc1	13562753	YZVAADHSZCPITI-UHFFFAOYSA-N	491.595	5.407	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccccc1F	27549579	NWVNATLUJMWETO-KRKDOYDSSA-N	466.538	5.079	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(Sc5cccc6ccccc56)o4)C(=O)N=C3S2)c1	41076695	MFMXBHVYQWUORN-NHQDZBNKSA-N	494.601	6.560	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58846427	UILPRXOITJLXLC-UNVFRBQDSA-N	465.018	6.584	10	40	JKCB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	58866066	NSHHLQLKMOKOKK-UHFFFAOYSA-N	475.544	6.565	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S	83259496	SOYBADQCECSKLH-IUXPMGMMSA-N	488.845	6.456	10	40	JKCB	
CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1	102929712	HJVCFNUUFZDFQM-MUUNZHRXSA-N	483.587	6.998	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2C(C)=CC1(C)C	208532458	DXFSLGCJIBQOHX-QRVIBDJDSA-N	467.034	6.907	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	222971381	MZTNGCNRJZHZFP-BJKOFHAPSA-N	453.055	6.224	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223757339	IDQDEBUUGKGSKR-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1	224011351	QYCICXJWPRUGDE-FTJBHMTQSA-N	468.582	5.395	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1	224208127	GTYCZQWDILHJQF-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C	224268105	LWGFTCXWGQGKGU-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224303683	RLVNJAFYFNCQFT-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405412	HKVHSTISGGYDBO-IXCJQBJRSA-N	484.644	6.676	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccccc1Cl	224481995	VNIBWYMJCULCBX-UHFFFAOYSA-N	480.992	5.289	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	260909814	ABEISFDBUVNGAZ-RPBOFIJWSA-N	493.051	6.683	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccccc2)c(Br)c1	408740202	ALTZYGCWPALSTN-XDHOZWIPSA-N	467.746	6.663	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)NC1=S	408761001	BTTVTTSYGCATAA-FYJGNVAPSA-N	463.990	5.141	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1OC	408761416	FDMVQUKOKRYBJF-XIEYBQDHSA-N	493.990	7.496	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1	408867884	KJQYEERALTZJSA-LDADJPATSA-N	485.754	5.904	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Br)c1	408901498	GCOUZJFLLDUURY-DEDYPNTBSA-N	481.777	6.488	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)o1	409030076	CCXVADGQZSWCHY-WQLSENKSSA-N	493.344	5.365	10	40	JKCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O	409075392	YBHKJHALKBTCBV-OEAKJJBVSA-N	466.990	6.383	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409088622	GMDVCHLPYNEZIG-JLPGSUDCSA-N	499.397	7.407	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(Br)cc1	409195301	OHERPFLCWOGUCN-KOEQRZSOSA-N	469.382	7.076	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1	409235088	AWQDBNHQXYIBCQ-FYJGNVAPSA-N	464.974	5.863	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)SC1=S)c1ccc(Cl)cc1	409335078	XLZGKVFETGRUSL-BKUYFWCQSA-N	498.988	5.604	10	40	JKCB	
COC(=O)c1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	409336075	RQEGFINIOAGVBB-UHFFFAOYSA-N	488.572	6.685	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1F	8984577	UEHRACBHRNDAMN-FYJGNVAPSA-N	464.924	6.263	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21	9805653	WSZIGHCIPKJXTR-WOVHNISZSA-N	452.450	8.421	10	40	JKCB	
CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12	16844500	YDZFAZAEBBBRHI-UHFFFAOYSA-N	497.595	5.280	10	40	JKCB	
CCCCN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3OCC)c(C(F)(F)F)oc12	19793180	BNOBYDHHLDNNCC-UHFFFAOYSA-N	465.468	5.940	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	20030452	FANNBRWALAGFOX-YBFXNURJSA-N	469.925	5.081	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1Br	27519455	CEUIAGKQFRTHOG-KGENOOAVSA-N	460.371	6.546	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	41083505	PKOLVFKRHIXHLG-YXZMWACZSA-N	461.975	5.216	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)c(C)c1	59198169	RIAFXGORPPYTTP-FYJGNVAPSA-N	492.373	5.980	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484762	NFLYMLWQRQCWHS-JJIBRWJFSA-N	466.924	6.385	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1	83330091	YYCAGFINBRKUJA-PXLXIMEGSA-N	466.946	5.222	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O	215094056	WJNYSPILZYNSNM-DEDYPNTBSA-N	457.393	5.594	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Br)cc1	222615783	VNMQOSIEQZEFQH-ITEAAPOESA-N	467.436	5.841	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1Cl	222833281	SXMZREKDAPEQIR-FCHUYYIVSA-N	459.446	6.177	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224335377	QQTFAFIOINPBAY-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(Br)c(Cl)c1	408529820	ICDRZYXBZGKWNR-ZROIWOOFSA-N	483.591	5.892	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1)NCc1ccccc1	408577567	TVQLQIDMMRSWLG-HMAPJEAMSA-N	495.025	5.441	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccc(Cl)cc2)cc1	408761805	BPLFXERFQQECMQ-PXLXIMEGSA-N	462.933	5.590	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2ccccc2Br)N1c1cccc(Br)c1	408765296	VGGJVXASQIBSPZ-LDADJPATSA-N	488.204	6.108	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Br)cc2)cc1	408840577	CLRCMMPARWADTD-RCCKNPSSSA-N	492.329	5.591	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1	408845288	VSAKLUWPUGSAOT-RGVLZGJSSA-N	488.168	6.296	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1Cc1ccccc1F	408876199	JWOSXRBHOCXDNL-JCMHNJIXSA-N	472.516	5.044	10	40	JKCB	
CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S	409010677	CZOMOUNUWXCGRR-DEDYPNTBSA-N	451.979	5.439	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)NC1=S	409236633	UBCMEACTFYOYGV-ITYLOYPMSA-N	491.616	5.901	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	409331640	OSXXYPKBWIUCEX-STZFKDTASA-N	483.014	5.828	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	409350661	YSCACEWIJAJULD-UDWIEESQSA-N	482.454	6.977	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1c[nH]nc1-c1ccccc1	1765604	SCRBQJPKTQTORI-ULJHMMPZSA-N	465.582	5.022	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1CCc1ccccc1	2308222	IOWVUNOGENBWSU-KQWNVCNZSA-N	466.027	6.363	10	40	JKCB	
Cc1cc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c(C)n1-c1ccccc1	3261341	PAJNJKNLIRTXMH-RUZDIDTESA-N	493.390	6.938	10	40	JKCB	
CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1	13644805	SCJYQZAFQRIIPF-DBXPASCUSA-N	498.051	5.038	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1cccc(C(F)(F)F)c1	15011868	RWCRALMMZVUFPI-FYJGNVAPSA-N	471.525	6.690	10	40	JKCB	
CCN(CC)CCC[C@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1cccs1	16982933	ARUQPJOIQVIMMV-QHCPKHFHSA-N	468.066	7.387	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	31963947	CMNANXNXXJTJRN-OQZKWKKUSA-N	499.061	7.064	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)c1	33370070	BQVYHRYJEKJIQG-WUXVYIAASA-N	499.596	5.087	10	40	JKCB	
N=C1/C(=C/c2cccn2Cc2ccccc2)C(=O)N=C2SC(SCc3ccccc3)=NN12	41076658	VXJMFPQUTOFSLJ-OEMPCWLZSA-N	457.584	5.046	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1	113831047	REGSXWCGPJELRU-YDZHTSKRSA-N	482.026	6.642	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc21	208192417	PKKMILQJBWNTOU-FAPYRAKZSA-N	470.436	6.254	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	222961053	PTIZTGDMSMBARF-SXOMAYOGSA-N	454.643	6.415	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223057323	JUKSJWJBFQVJND-GOTSBHOMSA-N	489.472	5.805	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1Cl	223225932	VPFDIFALVYQBNZ-ZEQRLZLVSA-N	468.070	5.067	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018469	RAVAQFHGQMEVOP-IZLXSDGUSA-N	496.636	6.012	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224369510	FDWMJYBGZFHNCW-VMPREFPWSA-N	496.680	6.798	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1O	224434156	MCJBMDGKOJKYNG-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225349097	DMWRAPSQYDDEQU-IZLXSDGUSA-N	497.668	6.157	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21	260912289	FOHSDNWCENPKSU-BJKOFHAPSA-N	479.049	6.132	10	40	JKCB	
O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1	408576254	WONZONLDCNCFAQ-DTQAZKPQSA-N	486.980	6.357	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	408816450	YVLOFDXYASDHHK-RGVLZGJSSA-N	485.298	5.378	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)c1C	408818519	VUMPQFRGBYDOKI-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)cc1C	408854406	FDYDOQGQIDAIEP-OGLMXYFKSA-N	499.570	6.126	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1ccccc1F	408876052	MJKWNIVQZLWMGB-RGVLZGJSSA-N	478.907	5.053	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(Br)cc1	408972663	QJMDLPMTHJUYSK-MOSHPQCFSA-N	488.307	6.205	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C1=S	409021332	BWBZLTPOXOVMIH-HMMYKYKNSA-N	483.014	6.038	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)cc2)c1	409346989	LWLWNALSIOGBNE-JCMHNJIXSA-N	466.628	5.546	10	40	JKCB	
CC(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409352647	XPJDRIBAUFVOFT-RQZCQDPDSA-N	452.826	6.632	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C)cc2C)C1=O)=C\c1ccccc1	1847079	JFKLDUFDMRNJLD-RCYLNMRYSA-N	450.629	5.870	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2445760	MCORRLJKCXRBFU-SILNSSARSA-N	495.695	5.936	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1OC	8821333	VKLSBGXHFJOQQB-FXBPSFAMSA-N	479.664	5.891	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1Cl	9113136	NHFZNNSRQKYTND-LPYMAVHISA-N	481.379	6.777	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	9293647	CNWTWVYWGUXAPD-HJWIFZRKSA-N	460.390	5.676	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1	9344564	WXFANNRZIAIRAP-OOAXWGSJSA-N	474.560	6.499	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C2=O)cc1	9427565	IAINAXBDWPPDTD-XIPZWBGBSA-N	491.591	6.427	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)CC34CC5CC(CC(C5)C3)C4)n2)c(C)n1-c1ccc2c(c1)OCO2	12632598	RBNOSNWJNSSDID-UHFFFAOYSA-N	489.641	6.491	10	40	JKCB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(Cl)cc1	13805206	NGSZVKITUOELLM-SFHLNBCPSA-N	489.742	5.404	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)c2ccccc2N1c1ccccc1	20059433	WRNGQSWDNCNWPC-LHLOQNFPSA-N	474.535	7.078	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(OCC)cc2)C(=O)N=C1O	59860567	ZQJBBAARVPJRKY-QGOAFFKASA-N	473.323	5.143	10	40	JKCB	
CCCCCN1/C(=C/C=C/C2=[N+](CCCCC)c3ccc(C)cc3C2(C)C)C(C)(C)c2cc(C)ccc21	98175218	SYERYPLARQQQRU-UHFFFAOYSA-N	497.791	9.298	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	101157121	KDWPXBAHHVCUNV-SDHOMARFSA-N	475.976	5.237	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018412	RAVAQFHGQMEVOP-VSGBNLITSA-N	496.636	6.012	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224369178	RUMRZFOLXZJJFP-FQLXRVMXSA-N	496.680	6.798	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224536275	UPDATXGPJKSLAL-PXJZQJOASA-N	496.680	6.600	10	40	JKCB	
CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c1	408574852	FARMUXKTKAIGCR-JLPGSUDCSA-N	488.634	5.981	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1	408773904	JYZVPWPUYZAHOK-LFVJCYFKSA-N	455.558	5.366	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(OCC)cc3)C(C)=C2C(=O)OCC)cc1OCC	408891727	CEJURMBCWOEGCB-QJOMJCCJSA-N	479.573	5.540	10	40	JKCB	
CCCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC	408938426	QKQLHWQSGOZKLL-LDADJPATSA-N	490.341	5.285	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c(C)c1	408964639	DXVWWKPYKIMHNT-HZHRSRAPSA-N	480.593	5.090	10	40	JKCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1	409023874	LQYKFFBGWDSNSX-GZTJUZNOSA-N	474.991	5.523	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	409045533	ZABSACCCAGDRGM-VCHYOVAHSA-N	485.298	5.378	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1	409063664	DGQJYHRFVNGQJH-GDNBJRDFSA-N	486.267	5.136	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	409092150	VSDIBTBSWMKYIE-KGENOOAVSA-N	464.999	5.631	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1	409146903	UHWNFJWNWOITON-SSHUPFPWSA-N	478.639	5.491	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccccc2OCc2cccc3ccccc23)SC1=S)c1ccccc1	409181413	CFCJZBBUHWRWCO-UQQQWYQISA-N	496.613	5.965	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C	409223470	ZPKAVPHERBETTF-WOJGMQOQSA-N	484.408	5.541	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)c(OCc2ccccc2)c1	409327260	IRGZNYUFTUBYDV-ONUIUJJFSA-N	488.678	6.826	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1	409328781	ATAGTWXQJNNUGZ-BKUYFWCQSA-N	491.550	5.018	10	40	JKCB	
O=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccc2)CC1	409333277	IVDJLMZOHLESRU-UHFFFAOYSA-N	483.575	6.444	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	2368446	GQQYIGUMVJEROO-UHFFFAOYSA-N	491.367	6.115	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)ccc1Cl	9233956	HUBVXZLFKXWYPU-DJKKODMXSA-N	492.311	6.327	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OC	9309894	MLGFRRBRJSMKTF-AUWJEWJLSA-N	493.741	5.014	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)o2)C(O)=NN1c1ccccc1	9313199	AZDFMOZYNPWMGK-SILNSSARSA-N	458.474	5.147	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCCOc1cc(C)ccc1C	9730541	GJONKRFQEBYMTC-HZHRSRAPSA-N	490.987	6.229	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	13768560	YWMRNOGJOGVDQR-ZTKPQIJASA-N	493.419	6.705	10	40	JKCB	
CN(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1	18114139	KRJYEFZBUAXKED-ZLNRFVROSA-N	482.367	5.111	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)/C=C/c1ccccc1	27017831	QLZMAUQDPIFTDS-BNIUNONASA-N	479.623	5.848	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)cc1	32701746	PCBLGORECWHMJD-PTGBLXJZSA-N	480.655	5.436	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1	35040038	JPENUOOSVHHDKL-MTJSOVHGSA-N	464.524	5.772	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(OCc4ccccc4)cc3)C(=O)N=C2O)cc(Cl)c1O	38161190	TUAIHLIIKYDFBE-ODLFYWEKSA-N	478.888	5.140	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2Cl)C(=O)N=C2SC(C3CCCCC3)=NN12	41076365	DDTWOUMUJWPAAZ-MLDLNWIHSA-N	482.953	5.238	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cn(Cc5ccccc5)c5ccccc45)C(=O)N=C3S2)c1	41076708	GNQOOTODMMFEEC-HGNJXLJLSA-N	475.577	5.665	10	40	JKCB	
CC1CCN(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(Cl)ccc3S2(=O)=O)CC1	49003990	MCZVXXBVTRAUJK-UHFFFAOYSA-N	451.375	5.019	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)c2C)c1	59427029	WNRTWAJTMIMSEO-UHFFFAOYSA-N	489.575	6.294	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223059214	ISFCVIPCUVDQSL-AZGAKELHSA-N	462.663	5.423	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c(C)c1	223350863	SDTUTXNYHIJPSQ-VPUSJEBWSA-N	470.642	6.180	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc2ccccc12	223381121	MWMOIYKHQGKJMY-XZWHSSHBSA-N	488.660	6.815	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223723329	ISBZWGVEFAYPIW-DNQXCXABSA-N	483.037	5.068	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc5ccccc5c4)c3)CC2)cc1	224317562	QKNWMOBMRPFRII-UHFFFAOYSA-N	482.580	5.398	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1	224320606	PQKVNTXZPYUFHW-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N(C)C)cc1	224605756	NYGBKXWNLFGVDM-KAYWLYCHSA-N	483.641	5.438	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1F	225043608	QHWCQOAOLYNRHQ-VSGBNLITSA-N	499.659	6.103	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2cccc(Br)c2)cc1	408760595	BJEALHGNGNEBLW-PCLIKHOPSA-N	467.366	6.745	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@H]4CCCC[C@H]4C)C3=O)c2C)cc1	408809201	KQSBFCYWKWKDPV-QHTWJUJPSA-N	484.689	7.457	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccc(C)c(C)c2)c1	408818603	XNJXWEGRCRBQMY-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cc2ccccc2F)ccc2ccccc12	408885256	YIWSOEVVECIALC-ULJHMMPZSA-N	466.537	5.401	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)C1=O	408885477	ANHLYTAJAAMJGF-HAHDFKILSA-N	488.971	5.765	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O	408899265	OVNWVBHVOUVEBN-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21	408903699	WOZOFXVQQRHJBB-ONDHQXCVSA-N	466.335	5.041	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)c1	408934245	DFOPTPYVGSWILY-MTJSOVHGSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c(C)c1	408986598	QZVRNOHPTWBNLR-LDADJPATSA-N	464.631	5.435	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	409024468	TXJAOZVBFPSPRL-OEAKJJBVSA-N	493.610	6.598	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccccc1	409085291	RZVWAOFVHKDPAC-XHPQRKPJSA-N	464.952	6.754	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c(C)c1	409107445	PWOAWHRBJTWIMT-XDHOZWIPSA-N	496.394	5.993	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=S)cc1	409348376	SJRPZULYROLKLY-FYJGNVAPSA-N	498.029	5.302	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(OCc2ccccc2)c1	409348905	TZTVNULMKMTWKZ-ONUIUJJFSA-N	488.678	6.513	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\CCC(C(=O)Nc3ccc(Cl)cc3)=C2N2CCOCC2)cc1	3208475	BNBRGUIUJLGPLO-XUTLUUPISA-N	466.025	5.588	10	40	JKCB	
CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)c2cc(Br)ccc21	8767610	UFHYPMDSOXENQR-QNGOZBTKSA-N	486.369	5.114	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1	13809743	BFYGGSNETLKHAY-SUJAKXCHSA-N	481.577	5.757	10	40	JKCB	
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	16215318	COOKUBKWVOTREN-WEVVVXLNSA-N	473.356	5.751	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S	16791057	SNIHFCVWZRIKJK-NPRIEWAGSA-N	478.477	7.127	10	40	JKCB	
Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1c2ccccc2cc2ccccc12	19320470	KQWPIYDKPLXLCW-UHFFFAOYSA-N	460.577	6.421	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1OC	27019217	SCTUAMXWYDJPLW-PLRJNAJWSA-N	479.646	5.052	10	40	JKCB	
Cc1cccc([C@@H]2NC(=S)N[C@]34Oc5c(ccc(O)c5O)[C@@H](c5cccc(C)c5)[C@H]3CCC[C@H]24)c1	33821797	MOKMXDVHASCMMM-KDRWPHSASA-N	486.637	5.571	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C	34736291	VEMDCFNSFXPKEG-VVHVNJFJSA-N	469.570	5.160	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1	107970369	CKLPVLCUHGADIT-BKUYFWCQSA-N	483.362	6.250	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Br)c4)c3C)N21	222698494	XFKAVDKAGQUTAL-CDNPAEQRSA-N	481.463	6.231	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223982222	MXNLJWLCAAIOQQ-KAYWLYCHSA-N	496.640	5.328	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1	224166246	RHSKTHMFXSKURA-LOSJGSFVSA-N	459.018	6.320	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	224399900	RONMSCUPNDVGAZ-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224531624	PGYMOCZZAKIBJO-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c([N+](=O)[O-])c1	225019739	UFTDMRGRHJSQSE-JWQCQUIFSA-N	491.617	5.321	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C)cc1C	408531701	LGKNQHAJWPJUAV-ONUIUJJFSA-N	482.628	6.199	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC	408538712	POVBBHOTHVRPOZ-OQKWZONESA-N	480.561	5.110	10	40	JKCB	
Cc1ccc(COc2ccc([C@@H]3Nc4ccc(Oc5ccccc5)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736351	QQNNYCUARXEVNX-PRMIEGHPSA-N	459.589	8.193	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4CC)C3=O)c2c1	408776114	LVWYXFVWQPLQMK-CJLVFECKSA-N	474.582	5.031	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408881530	MSCCFRCBKJKDKC-UDWIEESQSA-N	465.336	5.559	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)cc3)C(=O)NC2=S)c1	408991824	RAXXNGWAIRHMBT-MFKUBSTISA-N	484.621	5.639	10	40	JKCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1	409001467	INUDDUISRSGDCC-JAVXYERYSA-N	490.563	6.804	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c1	409014838	QHYLBTSODITMKF-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Br)cc1	409030113	CLOFAOWDUDCVHH-JAIQZWGSSA-N	492.460	5.894	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)cc1	409251338	PFPCLBHBIAFJCW-UNOMPAQXSA-N	485.392	6.208	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2Cl)N[C@H]1c1ccc(N(C)C)cc1	409336106	MDLXDTAOZRBNBY-NRFANRHFSA-N	478.445	5.830	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC(F)F	409347128	MMWKHJMNEXYVKM-VIZOYTHASA-N	462.326	6.009	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1	2288625	TVCJHWHAJJNBQA-JTOYMXJDSA-N	481.646	6.810	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	2700639	VWEOZURNEMTWJL-BHJKQYKASA-N	496.009	5.946	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)Nc1cccc(F)c1	3168580	QSJFETJRQJEWMP-PXNMLYILSA-N	455.363	5.363	10	40	JKCB	
Cc1cccc(OCCOc2c(Cl)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2Cl)c1	9659803	KVTJKYYOGNFRJU-DEDYPNTBSA-N	483.351	5.221	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)ccc1Cl	13786176	ZONAFSPRNLPYDE-MHWRWJLKSA-N	470.865	5.109	10	40	JKCB	
Cc1ccccc1OCCn1cccc1/C=C1\C(=N)N2C(c3ccccc3)=CSC2=NC1=O	13894313	PJGYPXJIVIXBLQ-QFOSJIQNSA-N	454.555	5.180	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)o1	15013393	CHONILMKDCDFRI-BOPFTXTBSA-N	480.929	5.587	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1	16292304	NBRUXTLOFNVAKJ-OYKKKHCWSA-N	496.053	6.637	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1	20175998	XPFZTVZONRZJDA-XYGWBWBKSA-N	475.635	6.374	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	34760820	XWWWTUUQYVKAJE-YGLSYQFESA-N	481.625	6.275	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847192	TYOPBQNSEASFAF-UNVFRBQDSA-N	465.018	6.584	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl	59959292	ZAMNWBZNXYHAPP-GDNBJRDFSA-N	467.146	5.633	10	40	JKCB	
CCN(CC)Cc1cc(/N=N\c2ccc3c(c2)c2ccccc2n3CC)c2ccccc2c1O	104202371	RQSNAHRJONXCMV-KTMFPKCZSA-N	450.586	7.930	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208329138	RJVWRBKTKVNRSH-IXOWOOARSA-N	459.590	5.390	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(C)c4C)=NC3=O)cc21	208473037	GBPKJKBDTJOZTL-JJFYIABZSA-N	452.023	6.671	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	222874926	DRISUXZMIZSJPJ-YADHBBJMSA-N	469.452	5.634	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223534957	ATQYHPBFVVFHAW-KAYWLYCHSA-N	467.642	5.619	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(=O)O)c1	223860252	LWFJHKURSNVXKH-JWQCQUIFSA-N	484.581	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	224168729	JFDVBJULNJXQNE-SXOMAYOGSA-N	467.642	5.732	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224203342	RMKVXNVFSVIETA-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc2ccccc12	224600415	QUWZBAQTIGKICF-URLMMPGGSA-N	490.632	6.525	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)n1-c1ccccc1	225059610	BUFMGZJMRVSHTO-RRPNLBNLSA-N	467.642	5.655	10	40	JKCB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)O)o2)c1	408633825	PUTUQCQXNQYWLT-UUYOSTAYSA-N	495.532	5.518	10	40	JKCB	
Brc1ccc(-c2n[nH]c(/N=N/c3nc(-c4ccc(Br)cc4)n[nH]3)n2)cc1	408718169	NWYRDPZAPLGAJW-OCEACIFDSA-N	474.120	5.197	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Br)N1c1ccc(F)cc1	408767400	WZNKSLAJCQPTGO-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C(=O)O)c(Cl)c2)cc1	408779489	FMRQLKQBVUVSMX-LDADJPATSA-N	460.873	5.726	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C	408809530	HSXPZILDNCGWAU-ZVHZXABRSA-N	488.971	5.819	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	408827599	LLADTGHZGDHJLI-HZHRSRAPSA-N	490.943	5.373	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Br)cc2)N1c1ccccc1	408839773	AFBVLINBCWEDSJ-JJIBRWJFSA-N	453.339	6.437	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(Br)cc2)cc1	408843195	QVTBJBXIRLHWGK-XSFVSMFZSA-N	478.302	5.200	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4F)c(Cl)c3)C2=O)cc1C	408879273	CRDSSRFEUQNDOE-CIAFOILYSA-N	462.908	5.353	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)SC(=S)N1c1ccccc1	408901490	FYDXTEIXWZUHOC-OEAKJJBVSA-N	471.563	6.004	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1C	408961697	URBHQWWIDBVDNM-UCQKPKSFSA-N	465.018	6.855	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409086400	ZKJRXAPIHXAXIA-LGUFXXKBSA-N	464.952	6.754	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	409156826	OLKDKJHQYANWDA-MVERNJQCSA-N	462.456	7.876	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1	409235869	CWMHUJWBIZCRBM-KGENOOAVSA-N	494.414	5.195	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c1	409238869	OCKZCAURPFPIKV-PDGQHHTCSA-N	481.371	5.157	10	40	JKCB	
CCOc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409339396	UXXBRIYPWNIPQX-CXUHLZMHSA-N	454.798	5.907	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N=C(S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)cc1	1278502	GFIFYZFJARVWAP-PDGQHHTCSA-N	453.926	5.129	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1	2219790	BREAUOGVGZBHEZ-GZPJKGAFSA-N	469.585	6.731	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)c2C)cc1	3369534	LHLWHQQFIZUYCO-UHFFFAOYSA-N	484.552	5.281	10	40	JKCB	
CC(=O)Nc1ccc2c(O)c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(S(=O)(=O)O)cc2c1	4887195	AIHPHBBNLJQATD-ZDXBJJIESA-N	489.513	6.581	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S	6674844	BJWHWTUDCIOMRA-HYARGMPZSA-N	478.551	5.588	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1	6821590	CXXWYNPCRKALLZ-FYJGNVAPSA-N	477.358	5.843	10	40	JKCB	
Oc1ccc(Cl)cc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccccc3)=NN21	8809362	RAKDZEAXRLIBMZ-SIKLNZKXSA-N	455.739	6.050	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)c1	8821326	UQHOYGJNAOGILG-UCQKPKSFSA-N	466.027	6.942	10	40	JKCB	
CCOc1ccc(-c2cc(/C=C/c3ccc(N(C)C)cc3)nc(-c3ccc(OCC)cc3)c2)cc1	8926001	JXXSPFOVKUIGBO-VGOFMYFVSA-N	464.609	7.449	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(Cl)c(C)c4)cc3)C(=O)N=C2S1	9425661	CLNSFGVPVUUNOV-XNUZKYAUSA-N	497.020	5.916	10	40	JKCB	
COc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2)cc1	12631036	XYVVBFBXFIUIKQ-JCMHNJIXSA-N	467.568	5.147	10	40	JKCB	
CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc2ccccc2c1)c1ccc2ccccc2c1O	19144527	LIGJTOORBLXUCK-MHZLTWQESA-N	463.514	7.852	10	40	JKCB	
O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)NC[C@@H]1CCCO1	20059422	OZRUZHMZVCPTQT-OINMWHHXSA-N	477.564	5.155	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)N=C2S1	32109394	HJHCKDKYHNFMTQ-CHLNCNNDSA-N	488.323	5.037	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1	33752175	GCVQAVVMNHDIFI-FYJGNVAPSA-N	464.930	5.700	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	34701060	RKXUIGFXSINPIV-MTBZJLAJSA-N	488.444	6.456	10	40	JKCB	
CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1	34702974	RRMLFTJDUPLYSO-MOSHPQCFSA-N	482.367	5.100	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1ccc(F)cc1	34721657	LJYHQKYASURIOX-BPOWYZMYSA-N	489.601	5.743	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S)c1ccccc1	40939927	CLEHYHKQRZDUCZ-HAHDFKILSA-N	469.591	5.236	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	41076337	XURWRFIXEDXCTR-TUKHXMGSSA-N	461.591	5.302	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCSc3ccc(C)cc3)C2=O)cc1	112295189	OJHLHDLGVYBKKP-QQTULTPQSA-N	457.599	5.410	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1O	223859147	XNZSZKTWKGQROP-RPBOFIJWSA-N	456.571	5.077	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224234489	LAIPRUGVCMNGEY-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224299049	AOQQWSSNQLRBFO-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224301609	BUTREYHFABYUTJ-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12	408692620	QVPAUKBRGAJDRN-PCLIKHOPSA-N	463.537	5.247	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1	408755902	SGEZFANBKZPXJS-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4Cl)c3C)S2)cc1	408778683	WMHLZRRAQUZVBH-ARLGEPFESA-N	496.032	5.696	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)S1	408800354	OJNPEANFNOAFMR-UHFFFAOYSA-N	495.068	6.817	10	40	JKCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	408810043	IVCQTVUNXJSOCY-BUVRLJJBSA-N	498.922	5.444	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccc(Br)cc2)cc1	408849091	YQKCWIGWSJHCKD-NLRVBDNBSA-N	497.392	6.836	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409085388	SEWHKCOTCKOXBS-WSLMLHKMSA-N	498.428	6.092	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccc(Br)cc23)SC1=S	409136661	SOSKLPXJIMKTHJ-GRSHGNNSSA-N	491.407	5.453	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	409200969	KUMKHKAZYQIALM-GRSHGNNSSA-N	491.377	6.876	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)SC1=S	409339783	YHVXCBKGPUXDKG-MYYYXRDXSA-N	488.609	6.552	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)SC1=S	409341393	BJFTWDVCSJQTKC-XYGWBWBKSA-N	454.620	6.712	10	40	JKCB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cc(Cl)c(Cl)cc1Cl	691744	KTUPHGWIMOERIH-UHFFFAOYSA-N	481.748	6.083	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S	2696942	HJRHRPRCQSEUSK-KQWNVCNZSA-N	455.608	6.304	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(N4CCN(c5ccccc5F)CC4)=NC3=O)c2)cc1	8821733	AQEDVRCAMYCZCM-ITYLOYPMSA-N	487.600	5.506	10	40	JKCB	
Cc1ccc(C)c(C(=O)COC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)c1	9309889	MRGRPXZEJHCDIO-UHFFFAOYSA-N	470.528	6.746	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(F)c(Cl)c2)C1=O	27533932	BLOMQJIWESEZOH-HIBZGYDWSA-N	475.010	6.046	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccccc5F)c4C)C(=O)N=C3S2)c1	33591075	OHGJUHOCPRHYGT-DLDIIRHTSA-N	487.560	5.240	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	33786601	XEWJDORWFZBSQA-NHQDZBNKSA-N	483.597	5.469	10	40	JKCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc4oc(=O)ccc4c3)C2=O)cc1	54360652	ZMYCVKWUNNARPG-BKUYFWCQSA-N	478.595	5.146	10	40	JKCB	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1	58845582	LJIGYSBCKCMSJP-GLDPYIMESA-N	481.961	5.876	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	58849757	SHIRWGBEUBPHSR-VKIDHGPPSA-N	476.598	5.640	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1	100233101	BVZBLFPGNVFWIQ-HYARGMPZSA-N	465.322	5.973	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccc(Br)cc1	100661768	IWKBSICNNUOXQA-SEYXRHQNSA-N	480.753	5.392	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223462758	FKZZTDAUZQUFQP-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1	224370427	APFVYSGXYAOLJK-UZPCJBMISA-N	457.574	5.164	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(F)cc1	224432794	MNBQQIFFOMFBBA-DQEYMECFSA-N	460.553	5.944	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(Cl)c4C)c3C)N21	260788392	ZRSAENXUCIMWQQ-QFWMQHCXSA-N	451.039	6.430	10	40	JKCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1	408571238	ANFODAZPELHBFC-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccnc1	408738468	XXMZTDRKLMKZDJ-CPNJWEJPSA-N	459.332	7.120	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)c2C)cc1Cl	408804001	BRMPTTPSLLJXCM-UHFFFAOYSA-N	471.433	6.781	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	408806879	CCGQSRIQKVOMNU-RIYZIHGNSA-N	497.762	5.501	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	408814831	WHLGHLBZTAWSCP-XQNSMLJCSA-N	496.950	6.047	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409016788	VSSNEMIOQUEWDR-HMAPJEAMSA-N	476.960	5.633	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083900	WOQXEKPKLUOMJG-XDHOZWIPSA-N	478.848	5.755	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)SC2=S)c(Cl)c1	409144333	KRFOKYRSHVVIHR-UNOMPAQXSA-N	454.960	5.455	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1Cl	409230423	DACMTICEZJGHSI-GDNBJRDFSA-N	491.783	6.047	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c1	409237482	IXONLBKIQUPZEX-LFVJCYFKSA-N	485.653	5.840	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1ccccc1	409342452	FCNUUFQFNYPIKN-KOEQRZSOSA-N	453.588	6.825	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S	409346966	PECWYYSNVVRGQE-ODLFYWEKSA-N	471.943	5.713	10	40	JKCB	
CCn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1-c1ccccc1Cl	409353140	YNDUHRNJLLHRJM-BYYHNAKLSA-N	476.993	6.765	10	40	JKCB	
COCCCN(Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O)C[C@@H]1CCCN2CCCC[C@H]12	524731310	SDEOBUSFBJOJMA-HFZDXXHNSA-N	478.633	5.063	10	40	JKCB	biogenic
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(C)c2C)C1=O)=C\c1ccccc1	1256196	TVBLKTDXGPLCHW-IDWPBITRSA-N	450.629	5.870	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccccc1F	3003684	VSGACYLGAAFWQP-YDZHTSKRSA-N	489.553	6.143	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1	4083451	LAVMDAUJILLFCX-CJLVFECKSA-N	483.499	5.362	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1Cc1ccccc1	9239553	NLIQPABOGIIXGL-LPYMAVHISA-N	469.990	6.460	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	9309819	NLWIHGZJYMFYEQ-KAGZEXGGSA-N	457.534	5.209	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1Cl	9424141	WLUMEIXXYSKNJA-GDNBJRDFSA-N	475.715	5.882	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)o2)cc1Cl	13810230	OKLSQBLSPVWSBM-BOPFTXTBSA-N	485.721	6.178	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc12	19793050	RBAKZQZWJODBQM-UHFFFAOYSA-N	497.513	6.949	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1C	41108026	NZNLEEUHIFNADG-NMHFRFNZSA-N	488.016	6.032	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1	58846333	RBCQAAKONUAYFD-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21	58847177	NNADHJWEUKRJRO-GLDPYIMESA-N	464.518	5.151	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58847464	SDWMIIYVZZRHJF-WZOHSFFVSA-N	480.973	5.696	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)c(C)c1	59459830	ZLAXOJKDRPGRAJ-JAIQZWGSSA-N	460.407	7.276	10	40	JKCB	
CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2[C@@H]2OC(=O)c3ccccc32)cc1	105793903	NNKZYLQPLALNKV-URLMMPGGSA-N	493.607	6.888	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc21	223494482	OYYWJNYHZGDRIS-OYKKKHCWSA-N	489.641	6.080	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(F)c3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223609091	HNDKYGSOXBNPMZ-QQZPLFJDSA-N	463.553	5.301	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1C	223861715	VBLFFJWYCRWWNQ-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223897928	KJZFZDRDKPCBMB-NSOVKSMOSA-N	497.668	5.741	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1	224302910	FULLJVFVDJCJJX-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1C	224606712	KGQZORNFYOWPQX-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)Nc1ccccc1	408571662	CEEPLSXGTAOKRN-QJOMJCCJSA-N	474.607	5.148	10	40	JKCB	
CCOC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1	408764388	MRJHNSQXMSQOKL-QNGOZBTKSA-N	459.929	5.997	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1	408779712	IQDYESBBBSPSOA-PTGBLXJZSA-N	453.542	6.221	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)S2)cc1	408789625	NEVKPPOWNMWMMO-IBYCJETLSA-N	461.587	5.043	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-]	408866847	JLZJIFXBAQZQGL-TWKFVSLJSA-N	452.466	5.205	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408879678	DNILPDSJDNZASG-OVVQPSECSA-N	460.533	5.714	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1	408913747	NMZAUDZYNSFMJG-PCLIKHOPSA-N	480.495	5.533	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	409159734	WURDGOFPKYIEKI-LZCXECNNSA-N	463.002	7.675	10	40	JKCB	
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409235133	BBHIZYDJNHPGKB-KEBDBYFISA-N	491.334	5.058	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)cc1	409329921	IVIQDSJRWHDVAN-PDGQHHTCSA-N	463.422	5.320	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	2532798	MPWIWXTWUYPSLA-UHFFFAOYSA-N	481.335	5.976	10	40	JKCB	
CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)sc2c1	8432547	ADVSMMNIOTVWEW-UHFFFAOYSA-N	474.563	5.201	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	40940302	NQBKKFGJFBYFOZ-XDHOZWIPSA-N	454.960	5.048	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccc(C)cc1	40942119	MFEQXQYWJRYTQJ-YVLHZVERSA-N	464.406	5.224	10	40	JKCB	
C[C@H](Oc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1)c1ccccc1	41108007	ATGIHUVLXANUBY-VKAKODOGSA-N	486.984	6.147	10	40	JKCB	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1	58847100	OINXHSKPVOFIEE-GLDPYIMESA-N	499.951	6.015	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58848951	YZCAMFIFWLGOHT-OREGWCPLSA-N	476.598	5.721	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)O)N2	80324546	QGJSJHSBEKSIAQ-QJMRKGMQSA-N	476.554	5.021	10	40	JKCB	
COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3ccc(N(C)C)cc3)C2)c(OC)c1	95945179	RNZRZPHMKJTKIG-FQEVSTJZSA-N	498.377	5.117	10	40	JKCB	
CCOC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(c3ccccc3)N=C2C)c1Cc1cccc(Cl)c1	97995923	DFKZIPRJTUQLJU-QNGOZBTKSA-N	461.949	5.550	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222881964	HWUFJDZXAPQRHP-GOTSBHOMSA-N	455.027	5.534	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccccc1Cl	223225872	VPFDIFALVYQBNZ-BJKOFHAPSA-N	468.070	5.067	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2[C@@H](C)CC1(C)C	223566125	URAVHGFCJHBNOL-ICODJCHTSA-N	479.602	6.332	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223861962	XBGWPOFDYABXBQ-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)nc1	224439108	JPAVFVXPBMANAO-RPBOFIJWSA-N	457.578	5.509	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	408538539	OOKFYCLGGOZTMG-BOPFTXTBSA-N	477.344	5.325	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408753036	KXKLGHKSWUGCJS-LDADJPATSA-N	462.889	5.737	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1C	408804611	BCPNFPMBOQSBGK-JJKOIPPHSA-N	498.716	7.765	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408805367	ALMVKIANYZPNHJ-OEAKJJBVSA-N	484.552	5.174	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Cl)cc1C	408872129	KZJYEAIPHHEKIO-UNOMPAQXSA-N	478.907	5.341	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409057079	TXDCQVWJWFCNHS-FMCGGJTJSA-N	475.976	5.324	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1	409069104	CBFZDRIVPXQFOW-KGENOOAVSA-N	494.016	5.286	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)NCc3cccs3)c12	409135742	QYSKSJDYTWRWNO-NHDPSOOVSA-N	497.711	5.439	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409143906	OKGBYYKWTUEYLG-BKUYFWCQSA-N	493.928	5.228	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1	409234732	XUVPLVZUMXWMBN-HYARGMPZSA-N	483.955	5.626	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	409329481	GJPNMWZAAVTQCQ-AINDZBIGSA-N	468.427	6.585	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br	409344599	HKXQAHMEBNPYGW-CXUHLZMHSA-N	454.798	5.907	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1	409347539	QIROPLKNQZZHJY-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1	3287690	KDKDKCCMNVXHIT-UHFFFAOYSA-N	450.391	5.412	10	40	JKCB	
CCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)nnc1-c1cccs1	3352940	DBWZNADETSMESF-UHFFFAOYSA-N	488.585	6.010	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2c2ccccc2)cc1OC	8398842	FGCYLCWCZXEFSF-XSFVSMFZSA-N	463.331	5.301	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	9015632	DVVUYEHSNXFVQL-XIEYBQDHSA-N	497.620	5.710	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	9188670	QNDKGWFVFYAGCE-LIAPLOTISA-N	475.635	6.545	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1	9188745	QXYCPXALKCTSMD-JCMHNJIXSA-N	460.580	5.120	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	9292064	SOWGUIACBXTZFU-VYIPLNHISA-N	468.026	6.255	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	13688918	JYBCTTGGQDFZBT-IECBHUPTSA-N	470.783	7.693	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13805943	FSISLOIYQRQKBO-ZDSURBCBSA-N	489.000	6.060	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	16488285	JJDCBRHZQBCPCB-CIAFOILYSA-N	462.336	5.458	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	33729880	GXNVHMHUPFJTER-QAGNQREPSA-N	488.444	6.456	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c1	58849374	UCTYYOOZNBSUKB-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
CCCCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(OCC)cc2)C(=O)N=C1O	59860588	UZGULYPOYPKHFG-XMHGGMMESA-N	487.350	5.533	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	83311729	YULDUZUYZYTNME-LGUFXXKBSA-N	475.504	6.008	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1O	96193415	PLBQOTRAOBRJSS-ZROIWOOFSA-N	480.156	5.122	10	40	JKCB	
Cc1cc(/N=N\c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N	104367249	BETDIULUXNWVLT-QBNZQOSMSA-N	465.513	7.787	10	40	JKCB	
Cc1cc(N)ccc1/N=N/c1ccc(-c2ccc(/N=N\c3ccc(O)c(C(=O)O)c3)cc2)cc1	104381620	NBZHFJRZIJHHCL-OAZKENCHSA-N	451.486	7.479	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C	208230701	RLJGUYFHLWVVAJ-PZUDMAOCSA-N	451.954	5.037	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222815642	FPVSHXZVMZWPSO-YADHBBJMSA-N	458.553	5.889	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223565863	QYSSAWJAITXJDG-ICODJCHTSA-N	452.595	6.563	10	40	JKCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1	223953426	STRFAZMHJPYKIK-UHFFFAOYSA-N	455.052	5.973	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)n1-c1ccccc1	224034728	NLDMWJVPFBPPEH-JWQCQUIFSA-N	454.555	5.087	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224234397	HNVNEDJQGBFQSV-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224301237	XRUADOBKDVPIQZ-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1F	224899330	YWMAYFOJGLRDGO-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccn1	225338097	SJTSVJLYQSCUQI-SVBPBHIXSA-N	483.641	5.848	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1	225602813	JTGBHWNKRCUEJE-KAYWLYCHSA-N	499.615	5.321	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	260919566	MGWBRYRUNROOQL-RPBOFIJWSA-N	458.606	6.030	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)O)o1	408632254	IEUATFGTXDSFDX-UUYOSTAYSA-N	495.988	6.332	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)o1	408740671	DBNGUJHKLDYRGK-GXDHUFHOSA-N	468.259	5.607	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408742106	MZDNEBFCQICXPW-ZROIWOOFSA-N	462.126	6.997	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)c1	408751979	AXIVGMLJRPXCIA-YBFXNURJSA-N	484.408	5.541	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)cc1Cl	408869070	REKUXJPGWGHARO-VXLYETTFSA-N	499.781	6.212	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl	408869256	RSCQTLXTNPGZSZ-LDADJPATSA-N	485.754	5.904	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1	408872200	BASQIUKBGJETJP-HAHDFKILSA-N	498.991	5.904	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	408875368	DXHABXOEKUKYEG-XKZIYDEJSA-N	495.406	6.274	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	408966691	NOWZMZMHTQOVCS-LCYFTJDESA-N	495.746	5.877	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Br)cc2)SC(=S)N1C[C@H]1CCCO1	409081525	PTNPPEOCBFRVAG-BDBXIWDTSA-N	490.444	5.408	10	40	JKCB	
CC(C)CN1C(=O)[C@H](Cc2ccc(OCc3cccc(F)c3)c(Br)c2)SC1=S	409145674	PAMHAIAOFIIFRI-IBGZPJMESA-N	482.440	5.595	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	409202500	RHGUTQYOENSBSL-AWQFTUOYSA-N	461.345	6.781	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1cccc(Cl)c1	409208754	BXJWZVMMYZSNFB-WQRHYEAKSA-N	465.905	7.025	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409213370	TUXYWCAGHACAIL-LPYMAVHISA-N	451.979	6.054	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)cc1	409328229	QEVBFDHAKVHSQN-HKOYGPOVSA-N	476.623	5.616	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)SC1=S	409378440	PFMDFSZCNPCLNC-SXGWCWSVSA-N	486.815	6.042	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S	2286115	BDJGLHPITRNGSX-ZHZULCJRSA-N	498.471	6.303	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccc(F)cc2)c1	2368719	DNMWTOPCLMLAKC-UCQKPKSFSA-N	487.581	5.746	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1	3768656	QRQWJNINFAPMLW-PCLIKHOPSA-N	475.635	6.687	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F	9239555	GFNLTSUJUJGMCQ-OEAKJJBVSA-N	465.571	5.815	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9293559	SOUDAMGPZWSNBN-KMDXXIMOSA-N	485.967	5.982	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1	9345354	BQIBKAKDSMUTNF-ZLLSNJOHSA-N	476.602	5.508	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	9478029	BXURNAONIBVMOF-OVZSPSEASA-N	477.564	5.870	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)cc1	12318388	WOSLQEMQDDCOQG-CSUZIONRSA-N	471.644	5.888	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	14010063	IZBIOHADQAYYES-GTBBCORBSA-N	489.399	5.253	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Cl)Nc1ccc(Cl)cc1	34702860	WNJOWFVOZOSTJC-BKUYFWCQSA-N	498.391	6.093	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1Cl	58848250	ALJJZZLRJWMHCG-BPYKYCOYSA-N	495.988	6.184	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	59194103	TTWIAZKMXKVYJM-ODLFYWEKSA-N	469.324	5.042	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c(C)c1	223389967	JXTGPUXNPITUEY-LMSSTIIKSA-N	480.681	6.587	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1	223405057	WHBXIDIWFBKHMH-UIOOFZCWSA-N	454.599	5.362	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224308169	WHHUMSQKXLGHMB-RRPNLBNLSA-N	467.642	5.987	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224609549	BFDLIHBOOMKFNR-JWQCQUIFSA-N	455.587	5.075	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1	408578403	YCQUVFDENHJCHI-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408639261	FJMRAGYOLYIFTJ-QFIPXVFZSA-N	450.538	6.241	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	408736254	OBMYERURAOYBIM-SWYRRKHMSA-N	466.408	7.798	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)O2)cc1	408741677	KHVVQKARUMHSOU-XDHOZWIPSA-N	453.321	6.562	10	40	JKCB	
CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O	408829542	OEFPNLBQVNXMHG-HZHRSRAPSA-N	490.943	5.293	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Cl)cc2)C1=O	408866089	GGZICKGLMZNFBK-XMHGGMMESA-N	465.336	5.559	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1Cc1cccc(F)c1	408875070	CJYUONNPZXIRQJ-WOJGMQOQSA-N	499.325	5.398	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccccc2Cl)c1	408887691	SLOKQKJLUMLWSJ-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	408902974	SWYAWZNAXIIKFA-BUVRLJJBSA-N	475.038	7.057	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(CN4CCC(Cc5ccccc5)CC4)cc3)CC2)cc1	408925180	KTTYYHPEFXKFGC-UHFFFAOYSA-N	483.656	5.112	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(CC)cc4)C3=O)c2C)cc1	408982143	GFUCXTFLRKJASR-ITYLOYPMSA-N	469.585	5.666	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408997909	OWEGKNIVJYGMKE-CPNJWEJPSA-N	483.807	7.696	10	40	JKCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O	409012009	IJWDMSRSXAJYNF-SCELWYEFSA-N	495.044	7.161	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1[N+](=O)[O-]	409222981	YHQUKUNQRLCTOC-DEDYPNTBSA-N	475.526	5.118	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OC(F)F	409356260	FWOJBGUVNPAFAD-YVLHZVERSA-N	498.960	5.195	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(O)=NC2=S)c1	980508	ASIVHRMEKDENBP-CPNJWEJPSA-N	455.461	5.476	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1Cl	8819678	YTARTJMRFBVSGH-JXAWBTAJSA-N	479.454	6.394	10	40	JKCB	
CC1=NN2C(=N)/C(=C/c3cn(CCCOc4cccc(C)c4C)c4ccccc34)C(=O)N=C2S1	8916746	OUNNRKJMBPKROB-PAMLCIOASA-N	471.586	5.366	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1	9089864	SSMGYNZJSLEFLZ-JJIBRWJFSA-N	451.526	5.455	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1	9193083	DPNKKIRDCDGUEB-VSMJJAEFSA-N	475.662	6.663	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	9805190	ZCLCBTOCHIPKCL-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)c3ccccc23)cc1	16807689	GDZJQVPDVMCMKI-UHFFFAOYSA-N	456.567	6.215	10	40	JKCB	
CCCC(=O)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl	18044674	ULTCHVCSGSYBFV-LDJRNAMNSA-N	472.829	6.001	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	41108254	VTEVRESLEDYOSO-XWEQHKKKSA-N	466.349	6.558	10	40	JKCB	
O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1c1ccccc1	58822146	JPROSPYCSYLTSA-KGENOOAVSA-N	482.424	6.434	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1cccc2ccccc12	58865699	KMWMCOCSIJQVEN-UHFFFAOYSA-N	472.537	5.961	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)cc1	59418155	DRKQYEVDINSYKY-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
O=C(COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(F)cc1	211957056	MBNYIIRXBLNVER-KGENOOAVSA-N	464.543	5.249	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1C(F)(F)F	222612569	GXZMLBBQNAHFAQ-ITEAAPOESA-N	456.537	6.097	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(F)(F)F	222827648	KELMJOBQWJKFJF-YADHBBJMSA-N	458.553	5.889	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Br)c1	222920823	HRHYETPWTPARBI-PKTZIBPZSA-N	483.479	5.880	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223383368	QMKZXWMSGNNHIQ-IZLXSDGUSA-N	466.654	6.224	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223855782	QWXBHODVYMNNAW-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223897977	WEXTWCBOAKAGQD-VSGBNLITSA-N	497.668	5.741	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	408779298	UTGDFPJZGZMOJX-VCHYOVAHSA-N	488.758	5.721	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408865821	FVNNUTFMMHWTSN-BUVRLJJBSA-N	468.553	5.186	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(Cl)s1	408946448	AFNLBWVQHBAXQK-KEBDBYFISA-N	466.990	5.536	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1Br	408987824	YTVOTQUWBNYSGZ-HMMYKYKNSA-N	476.370	6.328	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccc(C)cc4)C3=O)c2C)cc1	409129275	KRBDHDYPCNWBCF-UQQQWYQISA-N	488.609	6.600	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409188459	HTRYMMWIGLWFPC-CIAFOILYSA-N	457.382	6.950	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1	409239680	DBZTXDFTACDZDO-LPYMAVHISA-N	478.017	5.450	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)cc1	409249299	KBGYPABPMJHTOI-JCMHNJIXSA-N	493.053	6.446	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1	409351280	SZHHPLXLJDVXPV-VXLYETTFSA-N	490.389	6.666	10	40	JKCB	
COc1ccc2c3c(n(Cc4ccc(OCC(C)C)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	604403908	DEVRMNJQFVPSTH-UHFFFAOYSA-N	469.537	5.313	10	40	JKCB	biogenic
Cc1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3Cl)C(=O)N=C2O)cc1Cl	2403561	SXZJRESACZVVRJ-VCHYOVAHSA-N	488.758	5.676	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3[N+](=O)[O-])C2=O)cc1	8819778	QKXBJJRPYNPXOQ-HKWRFOASSA-N	469.588	5.304	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c2)cc1	9188370	DPESKGDXRZTICR-JLPGSUDCSA-N	460.624	6.046	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1Cl	9273936	DMHXDBUWYVWBPE-WOVJFNANSA-N	473.989	5.723	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	9307669	KDOZMFRBJFBZRC-BEBMFCDBSA-N	460.390	5.820	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1Cl	9514093	ZDSTVSJNFJYYKH-UNOMPAQXSA-N	497.334	5.247	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	13073953	JEXVXDYPWUIJJY-GULXKOIASA-N	488.439	5.661	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCC(C)C)nc3c(C)cccn3c2=O)SC1=S	13715270	NDXOJHJOZHPPMV-YNGKYYQNSA-N	486.707	5.488	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1	13940546	OFZRSEHVMGWXQA-QNGOZBTKSA-N	467.593	5.169	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	17159814	GIWMLDKRAYNZKA-ULJHMMPZSA-N	499.954	6.271	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)SC2=S)cc1	27499098	ZLWPFQYGVOOUED-YBFXNURJSA-N	472.931	5.923	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1Br	32138941	MUDDVONRDDOHCG-ZHZULCJRSA-N	489.369	5.887	10	40	JKCB	
COc1ccc(-c2cc(C(F)F)nc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1OC	36618660	GWUHFFLUXSTFMP-INIZCTEOSA-N	470.520	5.108	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3ccco3)=NN12	41076728	ZPWPINSSWXYVGO-IQGAPNPZSA-N	468.947	5.486	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58849624	JTRVOMVKRXIARR-ATLLOTDBSA-N	484.980	6.115	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58849731	FVGHTDRMMOEQQU-ANSQWYIGSA-N	481.017	6.284	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223540150	TYGNCPVAFVYQLI-GLFIFPSUSA-N	481.593	5.613	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223795313	AKLUWWKWAMJKCU-IZLXSDGUSA-N	482.653	6.373	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2	224403666	LHNGYHBAMHRDGA-CLJLJLNGSA-N	486.572	5.534	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(Br)c4)c3C)N21	260786462	XFKAVDKAGQUTAL-LEOXJPRUSA-N	481.463	6.231	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1Br	408586057	KSOJMQKMVCNURK-ZROIWOOFSA-N	467.146	5.633	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Cl)cc1	408761213	CZGPGRFTWNMTII-NLRVBDNBSA-N	452.941	6.726	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	408787380	ZCNYOUHVMPGJGI-JLHYYAGUSA-N	499.335	5.280	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C)c1	408802683	GBSAXHOZTUWXHW-LPYMAVHISA-N	490.943	5.293	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(Br)cc2)cc1	408841119	HTBZWCSCRDWJMA-CIAFOILYSA-N	486.196	6.899	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)c1	408889488	HICUUIFWIJKEEW-LFVJCYFKSA-N	480.495	5.533	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409018278	SWFDQNJUWLZWSJ-IWIPYMOSSA-N	459.929	5.796	10	40	JKCB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	409044697	WTPZCWWNUFIPGH-RIYZIHGNSA-N	467.736	5.348	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409059482	RNQOKIQICHJGML-STZFKDTASA-N	464.924	5.764	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1cccc(Cl)c1	409200079	GOKVYNVZOIEORN-VCHYOVAHSA-N	469.931	5.841	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc2n1Cc1ccccc1	409339623	XFEDUTNBBJBAON-ONUIUJJFSA-N	483.662	6.470	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)c([N+](=O)[O-])cc1C	409352778	YSWJLDRWUMZJLD-RGVLZGJSSA-N	454.504	6.017	10	40	JKCB	
CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)cc1	924762	OUONESDXKTVMKQ-UHFFFAOYSA-N	451.523	5.460	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12	2449476	XYKKAQNIGLYBJI-JIMJEQGWSA-N	451.497	5.157	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(OC)c1	8821514	RNGSSOPKPOZYKR-UDWIEESQSA-N	468.512	5.278	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1	9136381	YAGGXTSGPFHWKT-JTMDUIFQSA-N	480.973	7.104	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	9291769	OZBUWUCMKVRRFD-UODIDJSMSA-N	479.551	5.874	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4[C@@H](C)CC)c4ccccc34)C(=O)N=C2S1	9355028	BALBTGVDMXUTDN-SSPAKXSXSA-N	499.640	6.263	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	21005514	MERYQODWYTWNAP-DEOSSOPVSA-N	457.965	5.683	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1	26675902	OVDFHCJWRFOXBO-JLPGSUDCSA-N	461.608	6.379	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	33330627	PIICNPPYXWPRMP-UYRXBGFRSA-N	468.340	5.912	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1C	33579384	MYTFIRRMQMOWQM-YJFMCDHMSA-N	489.626	5.416	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)c1	58846374	BCGOETBZYDIVBA-VVZHRXSXSA-N	475.570	5.839	10	40	JKCB	
CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847175	RPYYAPSOQTVNLS-CLCZQPDDSA-N	476.617	6.751	10	40	JKCB	
C/C(Nc1cc([N+](=O)[O-])ccc1C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103921197	LFRMVNKWYIQAPN-JWGURIENSA-N	469.526	5.650	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1	223536587	RMUYDSMDJKVRRU-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223795623	ZSTZUFYAGDFBDO-WUFINQPMSA-N	482.653	6.373	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223972162	FAVAXAMVAQFBJF-IZLXSDGUSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224601648	SCEHQANTUMWJQJ-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3Cl)c2)SC1=S	408577850	UVFRYFWKJFHQHQ-YVLHZVERSA-N	481.426	5.621	10	40	JKCB	
CCOC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CC=C[C@@H]21	408736060	CMWRCOWMVKBLMN-WWDWLDGVSA-N	475.588	7.422	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Br)N1c1ccc(O)cc1	408758758	QMXGVLOZZZSLCL-LFVJCYFKSA-N	469.338	6.142	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(Cc2ccccc2F)c1	408875581	KGBDXRCXVTUJBR-XDHOZWIPSA-N	499.325	5.398	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1	408879406	FUDQLRZASDBPSM-PXLXIMEGSA-N	495.362	5.649	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	409238454	DJVBUQKSLSLBFP-PCLIKHOPSA-N	479.045	7.327	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(OCC)cc2)C1=O	409330315	KZQBXUKWGMLGGX-CPNJWEJPSA-N	478.433	6.042	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)SC2=S)cc1	409338141	DUMJRMFVKWQVFI-WYMPLXKRSA-N	493.028	7.196	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC(C)C	409343423	GSLLJEKCHDORTE-RGVLZGJSSA-N	481.561	6.545	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S	8819734	WFWDSMKZJKITPQ-PYCFMQQDSA-N	452.645	5.497	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c(OC)c1	8821424	VKMDRCALHIUFPW-UDWIEESQSA-N	457.960	6.023	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1	8821826	PAAZUVRSMZTYNE-VXLYETTFSA-N	473.337	6.342	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccccc1Cl	8871697	QDIJXVRDRVKWBA-WOJGMQOQSA-N	476.804	6.768	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)ccc4C(C)C)c4ccccc34)C(=O)N=C2S1	9353381	OHEJPBMYXVKDML-CGYHDWOCSA-N	499.640	6.181	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCOc1ccc(C)cc1C	9510927	SJBPZEMNHVPQSE-XIEYBQDHSA-N	470.569	5.966	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc6ccccc56)c4C)C(=O)N=C3S2)cc1	9680425	DLQPDNOSFQPITL-GRMHFLANSA-N	489.604	6.223	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	14010066	YDTAPRVTDGBHHR-ONUIUJJFSA-N	454.570	5.978	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007597	ZSSSEMZRTYSCSG-GSDHBNRESA-N	497.541	6.013	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(C(F)(F)F)=NN1c1ccccc1	16735925	WXWSAVWSLYMCPY-RGEXLXHISA-N	464.472	5.949	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cccc3ccccc23)cc1	20289139	VPEZLSZOVUKVHG-ITYLOYPMSA-N	451.501	6.125	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(F)cc1)N1CCOCC1)c(O)c1ccccc12	24102784	JSMIYSANCKIMND-DEOSSOPVSA-N	463.505	5.337	10	40	JKCB	
COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCC2)ccc1OC(C)C	85880047	SZPQPXJKQLQWNR-UHFFFAOYSA-N	489.528	5.613	10	40	JKCB	biogenic
CSC(=S)n1nc(-c2cccs2)c(/N=N\c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F	104235735	AOBKLZXDTDZAGZ-MRCUWXFGSA-N	457.484	6.450	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21	208461084	MDRAISBTGSFTAE-UUYOSTAYSA-N	479.577	5.441	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(C)n1-c1ccccc1	214718125	UOWSBAXVOOSFJK-CIAFOILYSA-N	457.382	6.637	10	40	JKCB	
Nc1c(C(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)sc2nc3c(cc12)CCCCC3	215745842	VBOSKNUXOLCHFG-UHFFFAOYSA-N	464.591	5.001	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(O)cc1	223386228	FEBVPACYAWEFRC-UIOOFZCWSA-N	454.599	5.367	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Cl	223535985	SVRGTOFAODJWTD-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224266916	MRVJINAIDXWCPC-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224273707	XHWKWJMHSMORGT-JDXGNMNLSA-N	494.708	7.154	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224403423	VQBCWYXBMSYAGV-BDYUSTAISA-N	470.617	6.422	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224431429	FUDFCPQYNMPDEB-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902337	MSMMAROSISADFH-WUFINQPMSA-N	484.644	6.731	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)SC2=S)cc1	408576219	UKPVBORJXZHATA-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)cc3)C2=O)cc1	408808178	DZHYVEOYQKWSIB-HZHRSRAPSA-N	474.944	5.456	10	40	JKCB	
COc1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1Cl	408864545	XBMUZFFBLUZQCT-KHOMTPLRSA-N	496.832	7.517	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408970466	IOLXYRNYISCEHY-ULJHMMPZSA-N	472.466	6.767	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1Cl	408983261	AAZVCPVVTIZQDP-GZTJUZNOSA-N	456.756	7.127	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1OCC(=O)O	409086042	PXFOCVFGQAWODX-MOSHPQCFSA-N	476.916	5.037	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCCc4ccccc43)C2=O)cc1	1187014	JGWAICOXASKBQI-OQKWZONESA-N	450.629	5.210	10	40	JKCB	
COc1cc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])cc1OC	3322592	KXLXEQRYOYPBCO-HNNXBMFYSA-N	486.908	5.101	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S	8821599	OQBRQJFJHRKRNO-SDXDJHTJSA-N	450.582	5.392	10	40	JKCB	
CCCCOC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)SC2=S)cc1	8856228	YOQJZKLPUWESRR-HAVVHWLPSA-N	497.686	5.761	10	40	JKCB	
Cc1c(C(=O)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1	8857309	ZMFGXBPAOMDBBI-UHFFFAOYSA-N	475.410	5.620	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1cccc(F)c1	8872115	ORMSSTSKCLHSPL-ZDLGFXPLSA-N	450.343	6.798	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1	9291340	BZXULBVPFIDXKD-ITCQOWKOSA-N	483.597	5.355	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9293664	RVXILCOLKHBENZ-NNTHJRIISA-N	487.560	5.299	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1	13584082	RPQFBESSZOJUTR-NFGXINMFSA-N	487.599	6.546	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)cc1	13810244	KAKHUMJCHJEWMK-AQTBWJFISA-N	475.433	5.378	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1	13810454	OELVQMYZJUPKIL-JWGURIENSA-N	479.627	5.176	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	14413761	ADRMEGCDBKOASL-STZFKDTASA-N	477.919	5.935	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(O)=NC2=S)cc1	35304349	SWVUQTQTJHWGAE-HAVVHWLPSA-N	455.583	5.674	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1	106745239	TVDIODCOVMQKMH-JAIQZWGSSA-N	464.455	5.098	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc2[C@H](C)CC1(C)C	208320012	IGQLYQDNHDSIFM-GEWRUKCFSA-N	468.066	7.151	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc2ccccc12	223381184	MWMOIYKHQGKJMY-KYJUHHDHSA-N	488.660	6.815	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c(C)c1	223863056	RRJVTKYHVJOESO-XTEPFMGCSA-N	482.653	6.297	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c(C)c1	224170899	GHYDZTBCQXKIEL-XTEPFMGCSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccn1	224360276	RWCHJOVMVSMOBZ-RRPNLBNLSA-N	467.642	6.185	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1F	224899409	YWMAYFOJGLRDGO-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)cc2)cc1	408531038	LLGMZVNUGSMUDQ-CIAFOILYSA-N	488.486	7.859	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1Br	408585445	DUGNSQFQUFWIFW-APSNUPSMSA-N	467.146	5.633	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2C)c1C	408755726	FBULZGYXIYYALM-LPYMAVHISA-N	477.406	5.983	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1	408758054	GEVUKDVENDVVGN-HYARGMPZSA-N	464.338	5.489	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1	408774051	OAUPZYGYAUGMTG-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1cccc(C)c1	408865044	AUMUJZROOZSNKN-WQRHYEAKSA-N	494.906	5.042	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Cl)C2=O)cc1	408871142	XYXFTWPMSPMBQG-XQNSMLJCSA-N	490.943	5.005	10	40	JKCB	
Cc1cc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)c(C)n1-c1ccc(Cl)cc1	408977172	VSEKXGFFJQSYHE-FQEVSTJZSA-N	467.019	6.183	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)cc3Br)C2=O)cc1	408985039	KSEGRWNBSSVYJT-HMMYKYKNSA-N	494.816	7.281	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)ccc1I	408987056	VDNZETZLMIJMQY-XMHGGMMESA-N	497.763	6.724	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409106781	PBOSMCGHOXJLOZ-DJKKODMXSA-N	460.748	6.152	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1	409208626	CYKWTRWZKKXDIS-UCQKPKSFSA-N	475.570	5.086	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409209063	FGPZJDMXQLOQGB-WQRHYEAKSA-N	476.457	6.279	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4cccs4)C3=O)o2)cc([N+](=O)[O-])c1C	409338203	FQWWCWXSDCWALZ-VCHYOVAHSA-N	485.568	5.079	10	40	JKCB	
COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2cc(Br)c(OC)c(OC)c2)cc1	1717331	QQPWESIZNMBGFD-UHFFFAOYSA-N	499.405	5.509	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1O	3768856	CICYSXHROVNIGJ-GIJQJNRQSA-N	464.406	5.576	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	6821639	NUKXCYWKDOXOHL-DEDYPNTBSA-N	483.351	6.625	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	8411427	FSTVCBIWCOAROY-WOCAHCDZSA-N	456.571	5.782	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(F)cc1	8437693	JADUXNXRVDRRNS-MTJSOVHGSA-N	485.378	6.232	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	8821038	MJMQXNDMEXNPJB-WOJGMQOQSA-N	459.752	6.445	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)c1	8821324	CUKIIXRVCPXFGH-QRVIBDJDSA-N	480.010	6.527	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(Cl)c2O)N3)C1	8919692	FYBLDXNUJIOTPI-MLCYQJTMSA-N	483.859	6.840	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)c(C)c1	8989938	WCHRRMVZTQSKLB-JAIQZWGSSA-N	460.407	7.276	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	9463748	XERYXEFSNKEWAF-JAIQZWGSSA-N	454.313	5.067	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1cccc(F)c1	12032411	XYWBQDLCJWLIKZ-GZTJUZNOSA-N	479.396	5.208	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(F)cc1	13149267	MHCGZQDNLKEOCJ-XKZIYDEJSA-N	450.491	5.201	10	40	JKCB	
CCc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	13942465	POQSOXOEPKHQOE-XHPQRKPJSA-N	489.662	6.498	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C(=O)OC)C1	20573130	PMEJTYIMDWFGBO-JQHSSLGASA-N	461.624	5.462	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1	59135454	KXFRZWOAGZZQBI-UDWIEESQSA-N	494.906	5.964	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)C[C@H](c3ccccc3)CC1=N2	102727674	AIQCSDKTKUMZMH-HRFSGMKKSA-N	463.537	6.200	10	40	JKCB	
O=C1/C(=C/NCc2cccc(C(F)(F)F)c2)C(c2ccccc2)=NN1c1nc2ccccc2s1	103624995	PMVNSPKVKFMRDM-XDJHFCHBSA-N	478.499	5.740	10	40	JKCB	
CN1/C(=C/C=C/c2c3[s+]c(-c4ccccc4)c(=O)n-3c3ccccc3n2C)C(C)(C)c2ccccc21	137519532	HFVIMRXQQCQFLN-XHWLBXOLSA-N	490.652	7.101	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223839354	RRYFFPUNHSUSNA-RRPNLBNLSA-N	484.625	5.765	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224021306	RMDSJEDQSUUGAN-DQEYMECFSA-N	483.597	5.098	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1	225031374	BLQRAWBVIYZFKU-LOSJGSFVSA-N	474.630	5.191	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	260916552	JKLSMOBABVVYPL-LOSJGSFVSA-N	490.076	5.934	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)c1	408760832	AFXAQRHQMSBBEQ-XSFVSMFZSA-N	462.933	6.537	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)c(C)c1	408808289	FJGAFISOOGVORD-OEAKJJBVSA-N	488.971	5.819	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1cccc(Br)c1	408843114	QJDUQJOKEQYDLB-DEDYPNTBSA-N	482.175	6.046	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408901355	DMEZMZPLWWTBOL-HZHRSRAPSA-N	474.391	7.111	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1	408939285	MGEHJWXLHVVCRN-ZVHZXABRSA-N	474.988	6.741	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1	408994683	ZOKGQDOVDHXAMZ-BKUYFWCQSA-N	460.917	5.202	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409029648	CCQSODTVUFWAQP-VCHYOVAHSA-N	473.445	6.213	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409220509	AVYZOQVINHJBNR-RCCKNPSSSA-N	492.044	5.876	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	409237194	JXTXAXXYSITCLQ-BUVRLJJBSA-N	455.945	5.744	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(/N=N/c4ccccc4)ccc3O)C2=O)cc1Cl	409337477	UHEKPLBTBKYWPB-DYKZNOLMSA-N	460.877	5.436	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)NC2=S)cc1	409370377	PUXMTUMZXYZKGZ-LPYMAVHISA-N	478.017	5.450	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)c(Cl)cc2c2c1CCCC2	606440503	XZXGUROTISUQQY-QSCAOHDJSA-N	495.063	5.426	10	40	JKCB	biogenic
Cc1cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)n1-c1ccccc1F	2890765	FVFLQDXQYWZPFG-UHFFFAOYSA-N	473.598	6.880	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCc1ccccc1	6821597	PEMBMSAOIACBAT-UDWIEESQSA-N	467.352	6.387	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1	9957657	XCXBXUAPERFTIG-JAIQZWGSSA-N	496.481	6.714	10	40	JKCB	
CCOc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@@H]3C=CC[C@@H]32)cc1	14165985	SSUTWCJPVAAKNR-YIIWZEITSA-N	496.632	6.866	10	40	JKCB	
Cc1ccc(C(=O)c2cc(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(N3CCOCC3)s2)cc1	16292090	ZKYMNFZARKNNPQ-WCWDXBQESA-N	481.490	5.356	10	40	JKCB	
Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12	17265216	MENHLZFUQHUXJM-KNQAVFIVSA-N	455.739	6.050	10	40	JKCB	
CC(C)Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1	22437679	WCUOPBJNBJNLBF-UHFFFAOYSA-N	476.646	5.176	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	27018150	CBQJISXTOFYPCV-JWGURIENSA-N	482.074	6.974	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(Cl)cc1	32109548	QQCXYDJGKWIIGF-ZHZULCJRSA-N	464.008	5.418	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	33534228	HRDKVLYLZLPTFL-OEAKJJBVSA-N	474.538	5.363	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c(OC)c1	35039863	GVMRVROZXZKYHM-NDENLUEZSA-N	468.512	5.278	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	58845599	SREMUABZISIOCR-RHGYRFJNSA-N	471.409	6.621	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1	58846329	KFXBXCBXCRIRPP-OUDXUNEISA-N	499.463	7.238	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484782	ZIOZRYGXCJLVFM-LGUFXXKBSA-N	476.532	6.130	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)c2C)cc1	106683919	CLENROHUERAQMA-XKZIYDEJSA-N	452.963	5.993	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1	113834878	BKZSULSERXZTTN-PXLXIMEGSA-N	462.596	5.677	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc21	208469302	WOUVTHJGHKPQII-YBFXNURJSA-N	480.033	5.420	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223053451	LYNKLAQBOXHIMA-DHIUTWEWSA-N	455.027	5.152	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1	224220358	WCYOVXAUDWFGGB-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	224885837	ZVXMAOMXGRWNKD-DQEYMECFSA-N	491.016	5.725	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)N21	260772345	NJYRCDLQUFTRGJ-ZQMYSKGWSA-N	470.564	6.487	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)SC1=S	408572315	GBSUTQQALPQJQU-NVMNQCDNSA-N	481.426	5.621	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2C)c1C	408757440	NHTOHSBWJPDDCM-YBFXNURJSA-N	487.818	6.872	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)c1	408774990	DYGWHCRNUJBAQI-BUVRLJJBSA-N	481.527	5.420	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)C2=O)cc1	408785627	ACNGDZRHQGOOPW-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	408852158	CRAWQZORZIUTFF-OEAKJJBVSA-N	487.918	5.457	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Br)cc3)C2=O)cc1OC	408996566	QCFHEXMCDFWUQF-KGENOOAVSA-N	477.358	5.609	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N([C@@H](C)C(=O)OCC)C3=O)c2C)cc1	409010774	LDLUDQNOXDYGOW-LUJYGJGBSA-N	454.592	5.425	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)NC2=S)c(C)c1	409134249	NVZMJTJUOCDFDV-PCLIKHOPSA-N	479.605	5.695	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(C)c(C)c2)C1=O)=C\c1ccccc1	1266009	TUVWLCVYJMZIAM-ZXPGUXPCSA-N	450.629	5.870	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	2666921	JSQIQVYGKQHRDE-HKWRFOASSA-N	453.658	6.382	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccccc1	3859625	WWDPDAXMPRATKK-WZOBNIDESA-N	497.576	5.457	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(Cl)c1OCC	8432698	WETIQNYMWHTSHR-RQZCQDPDSA-N	452.860	5.962	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	9312541	MWVXALORSREPGV-LECIVKJOSA-N	476.901	5.812	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)ccc1OCc1ccccc1Cl	16160890	BDQXLQODAUFMKZ-BKUYFWCQSA-N	450.897	5.873	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(O[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc2)SC1=S	26967372	ZPESMQOFKOQROS-OOXMNIKJSA-N	495.881	5.145	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	32109432	VEPGHONUAZOQCL-LEXTUMAWSA-N	482.993	5.737	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	33600171	BZDJMQVPLQRUPU-VNBAYUTASA-N	493.567	6.054	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC[C@H](C)C3)=NC2=O)c1	33889383	JDZMERHALXLZRQ-FSTGKYBXSA-N	458.587	5.250	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)c1	58848281	XLVRAWJRYOYPKM-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	102444328	WILQQBKULGJXOX-XNTDXEJSSA-N	489.684	5.168	10	40	JKCB	
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(N(CC)CC)cc4)[C@H]3C2=O)cc1	102753184	SDFGADUTZMUCIW-OZNIXHKMSA-N	499.611	5.373	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc21	208195694	HNARMRQRKMYVAO-KWWJGWKXSA-N	488.440	5.547	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	223083203	IKTKZZKHPVYXBP-DQEYMECFSA-N	498.618	6.813	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1C	223101260	IYYHWGFYLLUNSV-RRPNLBNLSA-N	458.675	6.411	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390230	ZIMYOWCIAAYPDX-RRPNLBNLSA-N	487.072	6.624	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	224335187	FCRZOLLSMQDCKJ-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1Cl	260739770	OUXOIUCRJXTYPK-IRXDYDNUSA-N	460.043	5.801	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(/N=N\c2ccccc2)cc1	408536986	YQUNFNADUBBGSD-FNAVNAMFSA-N	474.362	6.891	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)cc2)cc1	408779702	IEELNLHGKMPKQP-XMHGGMMESA-N	461.315	6.137	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1	408800256	LFASMSZXKADBLH-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)c2C)cc1	409211909	PCNDYJHFBUIXRC-UUYOSTAYSA-N	495.988	5.431	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S)c1cccs1	409345286	LEMYIKWMZGEUOM-XDHOZWIPSA-N	487.027	5.527	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12	2984993	GSYJKGSGLCRKJB-DLMGCVJOSA-N	480.471	5.600	10	40	JKCB	
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NC(c2ccccc2)c2ccccc2)cc1	3142964	YBQRYPXWVWZKNY-SLMZUGIISA-N	475.592	5.429	10	40	JKCB	
Cc1occc1-c1nnc(S[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1C	3439291	ORPRAKPOXCVJPR-MRXNPFEDSA-N	486.544	5.756	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9237536	QHLPXYUCALENQA-SDHOMARFSA-N	488.370	6.016	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)cc1	10112141	MDOOXOXLHGOEGC-UHFFFAOYSA-N	477.630	5.025	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc2ccccc12	12377618	ZIMADYLAXXNKLP-RCCKNPSSSA-N	467.015	6.113	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	13809872	BLVLFGLZXCJASP-NVMNQCDNSA-N	465.427	5.922	10	40	JKCB	
Cc1ccc(OCc2cccc3ccccc23)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	13940893	CWPSEIMGBUNYPP-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c(Br)c1	16284662	JCNQDERTUAJWHJ-UDWIEESQSA-N	470.413	6.419	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	33726138	RWOKWKJJNQQBAZ-QGUUBAPPSA-N	453.999	5.947	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1	35039860	KIOIJKNSXVIHKS-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1	58847920	KTBFGNSIYOBUFS-LZCXECNNSA-N	481.017	6.284	10	40	JKCB	
O=C(O)c1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1	96114911	RAYOUQAYAMADBQ-UHFFFAOYSA-N	473.485	5.296	10	40	JKCB	biogenic
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223532862	XCQYQQXLTOYUNH-SLDJAQPHSA-N	468.022	5.283	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224369311	RUMRZFOLXZJJFP-VMPREFPWSA-N	496.680	6.798	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2F)c1C	224566213	ZBRYBSUKIHHTCI-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	260926945	XEDXPUZUWVOZRF-FGCOXFRFSA-N	467.038	5.294	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C1c1ccccc1	408738500	ZZZLXLLZXRHKNX-OQKWZONESA-N	482.377	7.489	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)C1=O	408876220	NXROVBPKHUZLNP-JLPGSUDCSA-N	454.526	5.111	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	409052323	JKXJGOWFOIAJBL-UCQKPKSFSA-N	466.027	6.629	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)cc1	409340218	SKJIHRJIYGHXES-ROTLSHHCSA-N	484.602	6.133	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1	2232952	UDNADLQZIVYVEI-BUVRLJJBSA-N	465.509	5.513	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)cc1	2257774	JNOAGWPTZZEETA-HAHDFKILSA-N	492.578	5.978	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	5946137	JIIPPYFJGHKKMT-IHRLJDSVSA-N	471.989	6.086	10	40	JKCB	
COc1cccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)c1	8396569	KKEQWSPEBCOINI-UHFFFAOYSA-N	484.511	5.938	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3c(C)n(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	8408007	TZTOVAGWLGLLAQ-VMJYKDGMSA-N	499.640	6.065	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S	8821273	NDQVBOMIFWZXLV-BWCLHNGZSA-N	455.601	5.419	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C3/C(=O)N(Cc4ccccc4)c4ccccc43)SC2=S)c1C	8873301	AJYCVHIHKFDTNP-FCQUAONHSA-N	456.592	5.626	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3c(ccc4ccccc34)N12	9090045	YQABZEKEFAZJFG-ULNSLHSMSA-N	469.540	5.862	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	9232823	MCXILAOXJBLKTP-AINDZBIGSA-N	451.972	6.071	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)ccc1C	13675552	LMMOFIMBLMLJOV-UHFFFAOYSA-N	477.630	5.025	10	40	JKCB	
COc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1	13784990	JTLRYDMEPRVPIB-QQTULTPQSA-N	469.610	5.073	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1	13940080	KCSMPKRNCQPSPU-DEDYPNTBSA-N	450.893	6.438	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=S)cc1	16292737	IRJGRFYBSHLIPW-QNGOZBTKSA-N	477.383	5.506	10	40	JKCB	
O=C(COc1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	16448970	NNYDMNDJAGKWGL-CHHVJCJISA-N	458.775	5.454	10	40	JKCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1	27020211	SOTLQMWLZRXUIB-PLRJNAJWSA-N	492.710	5.883	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1	33430475	XRGCDOOWDMDXAD-QJOMJCCJSA-N	485.671	6.062	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1Cl	33581433	JJXLVDQUTDTPPT-WQRHYEAKSA-N	468.427	6.192	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N=C2N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1	36633821	STWJYWYGVFXVAH-GENIAPEFSA-N	487.028	6.864	10	40	JKCB	
Cc1c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	59135094	WNCSPZJAZOFRLU-OEAKJJBVSA-N	498.470	5.552	10	40	JKCB	
O=C1/C(=C\Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2cccnc2)=NN1c1ccccc1	100406086	DQHTUPKXDWFTGI-UYRXBGFRSA-N	476.380	5.866	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106681252	OCYAYAPQCIBGEB-NHDPSOOVSA-N	457.382	6.637	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223879916	AOAPEVGBJNEGGR-FTJBHMTQSA-N	498.608	5.158	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224303806	FNKFMWVXJYGUDH-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224373667	GUYLZMBOWFLDEJ-NSOVKSMOSA-N	481.669	6.493	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224531240	NNMBYFUYKWAJTH-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	224925698	UIUUKNPPJKXXOP-DRLORSAXSA-N	499.479	5.369	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Br)cc1	225016456	INKHJYSKDCOQMB-ZEQRLZLVSA-N	495.490	6.167	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	225018220	COFCZHUQUANIGC-RPWUZVMVSA-N	485.484	6.711	10	40	JKCB	
C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	252428167	RUPJLEKJZUBHKS-IBGQDLRDSA-N	481.771	8.066	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21	260925573	VQXYEGCJOOSGHQ-RPWUZVMVSA-N	467.082	6.282	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408804150	WKGKZGXVVOEZCE-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408812532	OZWSFHSDDOIBHC-LDADJPATSA-N	469.324	5.600	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408877596	SSOVHBHHVNFOGE-YBFXNURJSA-N	469.299	5.390	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1ccccc1Cl	408878281	ZLSHDBJULRHOQP-RGVLZGJSSA-N	495.362	5.568	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409022451	ONVHRYPEMMXFBJ-KQWNVCNZSA-N	461.558	5.280	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1	409040076	XOPQLKHGJYLZMZ-MHWRWJLKSA-N	476.376	5.906	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl	409244374	BPTVIHNLNNSHDM-GFQQVXNGSA-N	482.911	5.367	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409332409	QMKHHEGANXAPIZ-NDENLUEZSA-N	479.539	5.106	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)o2)ccc1Cl	409341254	AKUMVBVPEGQNEC-ODLFYWEKSA-N	473.934	5.932	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1	409375671	NSXZVSFYULULTL-LFVJCYFKSA-N	465.578	5.083	10	40	JKCB	
Nc1ccccc1-n1c(-c2ccccc2)c2c(c1-c1ccc(Cl)cc1)C(=O)c1ccccc1C2=O	2176648	LVPITOWQAQYQPP-UHFFFAOYSA-N	474.947	6.822	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	8763315	AOFJYOOACGLUCU-ZHZULCJRSA-N	476.019	5.765	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1O	8856621	YGTMZHURPOIXQZ-JJIBRWJFSA-N	477.476	5.927	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S	9232476	XYBOEICDTHSKSJ-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	12278483	WFXROHMADHATHP-GUSDSWBTSA-N	483.829	6.043	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1	19793028	QWKAJIBECJKOIT-UHFFFAOYSA-N	461.480	6.104	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1	33436665	HTDXTACXDMUOEZ-QRVIBDJDSA-N	489.553	6.143	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	33740041	SJCFIAZLNXWQSY-XQNSMLJCSA-N	482.026	6.512	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1OC	35039846	PHILYAPYXCUNHT-HMAPJEAMSA-N	496.566	5.316	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	41076753	LNFNCRLXKLRKSM-UDYIERFUSA-N	484.368	5.661	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	59198285	OLKNGJNGXDOGOC-XNTDXEJSSA-N	494.139	5.117	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484887	OWMSDAMZLWSOFX-LGUFXXKBSA-N	475.548	5.798	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCc2ccccc2Cl)cc1	112299366	HKZWIKOAEWAORE-ULJHMMPZSA-N	461.949	5.172	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc2[C@H](C)CC1(C)C	208305645	NGTKWRQQFSTVJZ-NLKUQUHMSA-N	477.630	5.782	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208511436	QJOKQLLXAWPWIR-XKZIYDEJSA-N	496.032	6.037	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	223519002	HGWKITUDONJNON-CFRMEGHHSA-N	481.061	7.295	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1	224462791	UDKDQTVYWKMOCU-DQEYMECFSA-N	459.018	6.320	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224466102	PXPZPDAJMAMJQJ-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)c1	224868243	SVPNJNDWKCVADA-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	260909812	ABEISFDBUVNGAZ-LOSJGSFVSA-N	493.051	6.683	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)C2=O)cc1	408782943	LKIPOUXLYPQIPB-VXLYETTFSA-N	499.325	5.686	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Br)cc2)c1	408840299	DGZAZKLBZNRNEI-XSFVSMFZSA-N	462.303	5.500	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408846660	YBPZLNOXNRCQPF-QGOAFFKASA-N	494.359	6.951	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Cc2ccccc2Cl)c1	408881120	HWIGZMOOSVWAMV-XSFVSMFZSA-N	495.362	5.568	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	409091531	UYVOJKWOGOFDFB-PXLXIMEGSA-N	495.025	5.721	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCCCC3)c12	409134029	OKACLXLERZILHN-BKUYFWCQSA-N	469.676	5.073	10	40	JKCB	
O=C1[C@@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccco1	409140579	JMPZYFYRWAHPEP-LJQANCHMSA-N	496.412	6.276	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409156709	UGPOVZVBUOVMKK-JCGVRSQUSA-N	465.731	5.854	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc1	409327408	JPVITCGBQNBNDC-PXLXIMEGSA-N	478.595	5.595	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409333608	UTUFVWBFAWAHIH-BKUYFWCQSA-N	493.522	5.488	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O	409337943	ABYQBOFGUWKTKX-WGARJPEWSA-N	489.706	7.267	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=S)cc1	409340181	RTKSFADCHIHGGT-HYARGMPZSA-N	469.031	6.552	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc(Nc3ccc4snc5c4c3C(=O)c3ccccc3-5)ccc21	4522761	YQFQXZQFMSYZFX-UHFFFAOYSA-N	458.498	6.027	10	40	JKCB	
Nc1nn2c(-c3ccccc3)c(S(=O)(=O)c3ccccc3)cnc2c1/N=N/c1ccccc1	8448169	WMYIHOZLUUXKOW-BYYHNAKLSA-N	454.515	5.227	10	40	JKCB	
N=C1/C(=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)C(=O)N=C2SC(c3cccs3)=NN12	8495731	FDUIBWJYINUFJY-IDSPKZQESA-N	492.969	5.288	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)cc1	9292170	NPQFHYMJNCXAEO-ITCQOWKOSA-N	489.645	6.082	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCOCCOc3ccccc3)c2)SC(=S)N1c1ccccc1	9510924	XFGAHHMRPFWADP-CLCOLTQESA-N	477.607	5.567	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	12843605	CKXJAUQSOGAVBJ-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C	13940125	IRADPOCAPRCEMI-XGCFFSCVSA-N	492.601	5.045	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C2=O)cc1Cl	20191532	CLNRXWIYEDCSAB-BOPFTXTBSA-N	450.834	5.113	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1Br	33155010	SXKFBDIMQZQAEQ-QGOAFFKASA-N	450.307	6.068	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1C1CCCCC1	33436875	DLUMPCNFAMSFHZ-UCQKPKSFSA-N	450.604	6.363	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[C@H](C)CC1(C)C	208324006	AEZQCNBZLDAWGV-SUVVMJBMSA-N	479.602	6.252	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	223054157	DOBBOMLDYGXAGL-PKTZIBPZSA-N	499.478	5.261	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	224168551	MCOJLPOJXUCYOO-LOSJGSFVSA-N	468.582	5.364	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C	224268017	LWGFTCXWGQGKGU-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1	224868331	WIYPKZCDRHGQJT-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc2ccccc12	260927112	YEWOAUXNEKHFSW-MWVDVNALSA-N	482.653	5.794	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408762937	CPSAIVURAAXFGA-RVDMUPIBSA-N	459.310	5.404	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCc1ccccc1	408799917	JIDKKFJYHZCQJZ-XSFVSMFZSA-N	490.943	5.293	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)cc1	408801438	ASAYLPIYOYCJOO-NLRVBDNBSA-N	492.531	5.484	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc12	408850057	FAWVXSYYEZGGIC-FOWTUZBSSA-N	471.365	5.377	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1ccccc1F	408875652	KWWKJQWLZFGKNQ-XDHOZWIPSA-N	478.907	5.053	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409129336	GDTAPEOVLJFXNH-ITYLOYPMSA-N	472.679	7.548	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)c1C	409141267	HLIIRVAZCSTHNH-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409199345	BQQGMUCPLOKIKH-BUVRLJJBSA-N	465.018	7.331	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)c2C)cc1	409342090	DFJJIAQNSCVENN-BKUYFWCQSA-N	498.029	5.302	10	40	JKCB	
O=C(O)Cc1c(-c2cc3ccccc3o2)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12	1547138995	YBMXGHJIHXGOTI-UHFFFAOYSA-N	468.417	5.658	10	40	JKCB	biogenic
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)c(Cl)cc12	1614472066	GCTLTJXIRFPHAV-YABFEGCQSA-N	497.079	5.890	10	40	JKCB	biogenic
COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC	1246265	OPJQJLUUJPBOML-IBGZPJMESA-N	498.377	5.117	10	40	JKCB	
Cc1cccc(Nc2cc(N3CCN(c4ccccc4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	2278986	MEDKFOFFHOBOHT-UHFFFAOYSA-N	486.575	6.418	10	40	JKCB	
CCc1cccc(C)c1NC(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	3321108	OULMUZHVCCQBET-UHFFFAOYSA-N	454.954	5.422	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1nc(-c2ccccc2)cs1	8820318	LNOCCNKCBJSGAP-SFQUDFHCSA-N	455.586	5.023	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1	9259416	GCSUYAZIWJHPAJ-ULJHMMPZSA-N	463.647	5.784	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	9291443	XXOYJPNDHCYSLK-FMQLZUAWSA-N	499.640	6.084	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	9310020	FYEIKNCIJZRJOU-WGTHBTLJSA-N	487.584	6.723	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(OC(F)F)cc1	12539188	LAQWDLGMMSKIHH-UHFFFAOYSA-N	468.283	6.042	10	40	JKCB	
Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2O)N2CCN(c3ccc(F)cc3)CC2)cc1	21486984	LQZZQBJSHATSSZ-AREMUKBSSA-N	461.968	5.953	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	41083214	YVCZMGIGVJQJOE-WMIGAGKJSA-N	460.390	5.676	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c(C)c1	58846287	DMSDLYQCFJKPGS-BOCWGRARSA-N	486.681	7.228	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)c(C)c1	58846294	SSCFIWXURMFRQJ-UNVFRBQDSA-N	474.582	5.629	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1C	58846579	TZUSYQOTYJOTJS-OREGWCPLSA-N	474.582	5.659	10	40	JKCB	
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)SC1=S	108926192	PTIBLSFOVDWYQM-GZTJUZNOSA-N	480.396	5.086	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc2[C@H](C)CC1(C)C	208318433	WFWRIRZFQBXASQ-YSUUHWHMSA-N	454.039	6.843	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1	223405003	WHBXIDIWFBKHMH-IZZNHLLZSA-N	454.599	5.362	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(F)c1	223895487	RBBIQALPXXTCDZ-RRPNLBNLSA-N	485.632	5.871	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223975617	NRAQXEYLHZKBSN-SVBPBHIXSA-N	497.624	5.330	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C	224260402	SOOOYZQVXMFBGA-IZZNHLLZSA-N	453.615	5.678	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)ccc1F	224892303	XRWZOBTVUSXQEO-RPBOFIJWSA-N	457.578	5.509	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2	225748371	ZQEXFWGGECWIDK-XMWJODTMSA-N	487.662	5.708	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	225822751	ZXWFSERCKDOEIS-CSYCHJTNSA-N	471.601	5.473	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260565520	IWUMERAKKMJTLX-SKCQWOFPSA-N	468.022	5.202	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1	408783055	JQZSSCBVNJQPGE-NLRVBDNBSA-N	491.616	5.901	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C	408784489	TUYFWXNMUCWUQU-HYARGMPZSA-N	495.364	5.813	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)c1C	408802353	ZJTWPVBBKDULJH-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)c(OC)c1	408840575	CKROWPCDIAUDGN-HYARGMPZSA-N	477.358	5.609	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)c1	408901025	ZIURYAQYLNFUIW-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl	409014712	YEYKYPYLOGHPJA-GYBQTFJISA-N	467.736	5.491	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C(O)=NC2=S)c1	2379773	JXXQQSOHHCOUDC-RCCKNPSSSA-N	453.523	5.515	10	40	JKCB	
CC[n+]1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)csc1Nc1cc(Cl)cc(Cl)c1	2557749	CVNXSYVQQCYTIX-UHFFFAOYSA-O	486.288	7.811	10	40	JKCB	
O=C(Oc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1Br	8452268	NTNCRXGTONZNMW-UHFFFAOYSA-N	486.115	5.206	10	40	JKCB	
CCOc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S	8857616	UIDBBMIRGQCCIP-CYVLTUHYSA-N	460.646	5.547	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1Cl	9030387	UZRBJQLZXBXQFR-XKZIYDEJSA-N	486.014	6.312	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12	9262702	USGOWQKVDDHHTP-LFVJCYFKSA-N	498.991	5.904	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1	10112132	AWJZEJWVYODJCE-UHFFFAOYSA-N	484.021	5.061	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)S2)cc1	12524921	NSKXWHLUFHEEBG-UDWIEESQSA-N	472.397	6.492	10	40	JKCB	
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1c(Br)cc(Cl)cc1Br	13774900	HBJPJAFJLLFPDR-LCYFTJDESA-N	485.632	6.384	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1	35624722	MJMQXNDMEXNPJB-WQRHYEAKSA-N	459.752	6.445	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847251	HOXODTNSRVWCFE-WZOHSFFVSA-N	466.990	5.976	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1	58848667	MTAVBSNTFOGEBJ-OREGWCPLSA-N	490.581	5.441	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)c1	59105029	LOSGVDFSQUKENB-HYARGMPZSA-N	470.481	5.087	10	40	JKCB	
COc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(c3ccc(F)cc3)CC2)c1O	95949543	WROQXAIVVGDJCH-UHFFFAOYSA-N	485.559	5.268	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)C(c2ccccc2)=NN1c1ccccc1	100906652	SQUOKUAMJSIUMP-NHFJDJAPSA-N	467.532	5.769	10	40	JKCB	
CC(=O)[C@H](/N=N/c1cccc2c1C(=O)c1cccc(Cl)c1C2=O)C(=O)Nc1ccccc1Cl	104125443	DENOJOSCTNRQOA-GHFCYRQVSA-N	480.307	5.449	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)NC2=S)cc1	107606295	KJXUWXSZVYCRPW-UDWIEESQSA-N	498.435	5.795	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223540966	NRFWBVCVCQOAPN-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1	224804865	LZLYJASTMILWBF-NSOVKSMOSA-N	498.652	5.992	10	40	JKCB	
Cc1c(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1	408785021	FJFQFRUOCBNZGD-HZHRSRAPSA-N	469.928	5.318	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C	408848160	PSIFJVISMVZXFY-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	408865195	BPHQLZWPWCJQQI-ULJHMMPZSA-N	478.573	5.559	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2)c1	408892241	ACJZBCUUQQHSHK-BUVRLJJBSA-N	454.526	5.166	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1Cl	408896051	MPAIEJZTHGQWSM-YBFXNURJSA-N	497.334	5.247	10	40	JKCB	
COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408956876	YXEDWAHHWOPBGJ-BLYAQDNISA-N	482.580	5.386	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)Nc1cccc(C)c1	409043008	PBSQAIKRTJIPSI-LFVJCYFKSA-N	469.541	5.217	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cc(=O)c3ccccc3o2)c(C)n1-c1ccc(OC(F)F)cc1	3348117	AJLXQEWCNQPXLB-INIZCTEOSA-N	481.451	5.230	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCCOc1ccc(Cl)cc1	8453145	POHNENBLGSETJP-HAVVHWLPSA-N	492.959	5.048	10	40	JKCB	
C[C@H]1C[C@H](C)CN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)C1	8789776	QEPAAFOSILKOCW-GJZGRUSLSA-N	465.933	5.403	10	40	JKCB	biogenic
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)SC2=S)cc1	8821451	QFUOZXGWBRILPC-HYARGMPZSA-N	488.461	8.002	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1Cl	9891947	HPJRGBSFQBGXPJ-RVDMUPIBSA-N	471.256	5.199	10	40	JKCB	
O=C(N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl)c1ccco1	13305829	MXZMLJQVLFPZGX-UDYULJFISA-N	496.807	6.108	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OCCOc4ccccc4Cl)cc3)SC2=S)c1	13940069	ULKCYQZJSBAGOF-KQWNVCNZSA-N	482.026	6.512	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(Nc4cc(C(=O)O)ccc4C)=NC3=O)cc2)cc1	35042716	PYHDFOZASMRQFT-YDZHTSKRSA-N	458.539	5.663	10	40	JKCB	
CCCCCCOc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2)cc1	41108569	MPFAWURMAIIFRY-CLCOLTQESA-N	485.671	6.325	10	40	JKCB	
COc1cc(/N=N/c2ccc(O)c3ncccc23)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1	104219965	SFXRKMUUGIAIPX-ZQZMJUSDSA-N	458.434	6.697	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c1	208240771	YOLCMRJRKCUWSO-BBJIBYMTSA-N	481.980	5.127	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223121726	WTQIYQZAAWYFIY-UIOOFZCWSA-N	488.657	5.581	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223532739	NRFWQDWCWUWKLY-NPRIEWAGSA-N	468.022	5.283	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223796936	AQGGLMSKDGAWFD-RRPNLBNLSA-N	486.616	6.204	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224187438	CSPIZASVHAFYBE-CLJLJLNGSA-N	482.609	5.453	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c(C)c1	224272202	IIRHUOIVNYBAHV-JDXGNMNLSA-N	494.708	7.208	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609350	YIHKKHGPQVDQPF-IXCJQBJRSA-N	482.653	6.243	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3cccc(C)c3)SC2=S)cc1	408577147	RLWSONHUYJJEQW-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
CN(C(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc2ccccc2c1	408734829	FNGAHBXKDCSDHV-UHFFFAOYSA-N	478.555	7.911	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(Br)cc2)cc1	408763060	NISKZEVPZNVPNL-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S	408768505	XLNOKGJDESEVDV-XQNSMLJCSA-N	471.626	5.531	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl	408784098	RJESTOHWCLBQTG-KGENOOAVSA-N	490.943	5.293	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1	408796610	AUJWWPXWOVGMON-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3F)c(Cl)c2)C1=O	408883344	PJTSXZKDYRPBRJ-WOJGMQOQSA-N	483.326	5.698	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408901901	IQZIFLHMYDNLMP-HZHRSRAPSA-N	496.053	7.032	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2sc3ccccc3c2Cl)cc1	408997763	STARTKLCQPRGLN-QGOAFFKASA-N	450.972	6.459	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408999027	VVMADQJBZLNGQV-SFQUDFHCSA-N	455.391	7.104	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409013794	VPSLLBYBLGYFAH-XYGWBWBKSA-N	489.015	6.632	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl	409016507	UTYJORZORAMKAC-UUASQNMZSA-N	457.140	6.177	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1	409051594	BKKBWELESGQQGT-JAIQZWGSSA-N	460.407	6.963	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O	409335357	ZEVHFROKHSHZPH-ROTLSHHCSA-N	493.669	7.098	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCC(C)C	409338277	HAWOQEUUDDYLEJ-HMAPJEAMSA-N	456.633	5.592	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1O[C@@H](C)CC	409346839	OIHPZDDNTOYQPZ-PZBNQXIHSA-N	456.633	5.734	10	40	JKCB	
Brc1cc2c(cc1[C@@H]1Nc3ccc(I)cc3[C@H]3C=CC[C@H]31)OCO2	6445375	RIVTWYVNCSCPEQ-AVCJSFLBSA-N	496.142	5.609	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1	9189270	BZEFUHUVBPFKIP-ITYLOYPMSA-N	487.600	5.506	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1C	9293476	DWQNFUWUNCCJOE-YNRWKYOSSA-N	483.597	5.409	10	40	JKCB	
Cc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccc(Br)cc2c1=O	9463196	PBIDKFNEGNGDNM-XNTDXEJSSA-N	460.375	5.693	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCCCOc1ccc(C)c(C)c1	9957736	KSJQNBPGEMULIM-PXLXIMEGSA-N	457.617	5.381	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	13774930	TUQRIEFECMVKHI-WSLHGYQHSA-N	485.609	6.641	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1	34795650	FCKIYFSGAYSLNY-PXLXIMEGSA-N	476.433	6.027	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)c2C)c1	35169214	GJMHWKMSBNMGAH-JJYAYZJSSA-N	488.016	5.918	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(Br)c1OC(C)C	107598223	UUTKKPVHOFJIEK-UNOMPAQXSA-N	475.408	6.026	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113833500	OMCOQSSAAXVKCU-WSDLNYQXSA-N	496.541	5.727	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1	113834024	PURSKDQXTZISMJ-BUVRLJJBSA-N	456.592	6.104	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl	210658531	XEICIXVMRHWKHG-GIJQJNRQSA-N	498.409	5.257	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1Cl	223349507	JWYOSCIFOZTTBN-ZEQRLZLVSA-N	497.451	6.562	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	223387236	TZOMUWYYHMPWFE-UIOOFZCWSA-N	482.609	5.360	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	260917986	KJZAAYZLJLKODH-DQEYMECFSA-N	493.051	6.683	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Cl	408574927	NCEFSRDFGMCYRD-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1Cl	408646130	TUHAFCOJGBUYNU-FQEVSTJZSA-N	470.956	6.586	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c(C)c1	408784323	BAARTNGWLUZMHX-XIEYBQDHSA-N	491.616	5.901	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C1=O	408798521	FWBSCFJTACWVEY-LDADJPATSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)c(C)c1	408812892	XMALCMWKWQIGTJ-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)cc1C	408857052	MUZQGVLAGOUMBP-XDHOZWIPSA-N	482.367	5.684	10	40	JKCB	
CCCOc1cc(OC)ccc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408876931	RBTFKZKLJSCTLL-UHFFFAOYSA-N	472.566	5.232	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O[C@H](C)CC	408898756	MLPNYEQUNJMHJW-YDDPGSGASA-N	470.953	5.199	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S)c1ccccc1	409181604	DEIVXOCXVRMSDQ-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C	409231708	LOMOTWPDLJLKHP-XSFVSMFZSA-N	461.949	5.285	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c(OCc2ccccc2)c1	409339861	LWCVOUXYNOQDNS-YZSQISJMSA-N	488.678	6.826	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1ccccc1F	409347626	MIUWDHVRXATEOL-FOKLQQMPSA-N	496.991	7.027	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S	409368020	PZCMKUGBFRKICK-AWNIVKPZSA-N	493.224	6.238	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C(=O)NC2=S)cc1	409369211	ABWDTPJXKCEUPF-QNGOZBTKSA-N	479.026	5.885	10	40	JKCB	
CCN(CC)c1ccc([C@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)cc1	2094479	URLYEYSSTCXGCW-SANMLTNESA-N	483.641	6.489	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(OCC)c3)N=C2c2ccccc2)cc1	2259513	ZRCADEXJBWGVQH-MOHJPFBDSA-N	484.552	5.495	10	40	JKCB	
COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1	2335417	OTRUBEQSOITLKZ-UDWIEESQSA-N	479.920	5.271	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	6480725	FUMGXNJSQLTELN-FXBPSFAMSA-N	482.627	5.264	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	8821262	MMUMQNWIDOHUCZ-UQQQWYQISA-N	475.635	6.027	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)c(OC)c1	8821686	DOXQWMVVCWPPQO-OYKKKHCWSA-N	460.555	5.674	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	9282772	XURWRFIXEDXCTR-SMKDVUIYSA-N	461.591	5.302	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccccc1F	9309795	JOSJQMWDGBFGQX-ZYAFDPRBSA-N	477.952	5.554	10	40	JKCB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1C	16267931	MDUDUFHFGSNZCN-ZHZULCJRSA-N	498.421	5.215	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	16689184	YKKCJOCEDNGQIK-OVVQPSECSA-N	497.641	7.223	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccc(OC)cc2)cc1	20289036	SGDQLXFUGNPEIN-BWAHOGKJSA-N	485.540	5.018	10	40	JKCB	
COc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	33430292	CXEPRRSROKURDI-UQQQWYQISA-N	491.634	5.945	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	58846997	VKPQSGNHAGOLOV-WZOHSFFVSA-N	450.535	5.462	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58849059	MEVCQTZJODZHGB-LZCXECNNSA-N	464.562	5.852	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)O)cc(Br)cc2[C@@H]2C=CC[C@@H]21	58928843	MLLFFUSCPYXBAV-FHSNZYRGSA-N	479.168	5.745	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59104445	NIOZDSDOXSGPLC-YUMHPJSZSA-N	495.623	6.261	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O	98086509	FVBGCHIAIMPXDW-MOSHPQCFSA-N	457.393	5.594	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352368	KYFQZZNHVJWVFG-RPBOFIJWSA-N	493.032	5.917	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1O	223385822	IWUHJBXDRHSCIB-FTJBHMTQSA-N	454.599	5.367	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	223765378	STXSIQYWCKNCMP-XRKRLSELSA-N	496.680	6.600	10	40	JKCB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408577886	VKEIVVVXWUCPHS-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccc(N(C)C)cc1	408635335	ZLSGWYLLAOLQST-HYARGMPZSA-N	495.004	6.081	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)S1	408760357	XFKMTYRDMGENRZ-IWIPYMOSSA-N	466.518	5.319	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	408802498	FOXOKEAGBBXQMS-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(Cl)cc1	408817873	WMMPKIOBQAFEAQ-LDADJPATSA-N	497.334	5.247	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccc(F)cc2)C1=O	408846435	SJKZCVYGPZZUGE-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1	408889522	DOMZWQTUZQVOOX-YDZHTSKRSA-N	488.971	5.819	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c([N+](=O)[O-])c1	408903195	VMAMRNQNGBFCMK-CIAFOILYSA-N	465.556	5.417	10	40	JKCB	
CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408998194	KNLACCAVQFGQTG-LGBDKOASSA-N	474.561	6.151	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12	409122891	CFTXGMNFJDZROF-UUYOSTAYSA-N	499.499	6.867	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S)c1ccccc1	409182182	ITTYKMLWKUFCJY-GZTJUZNOSA-N	475.378	5.800	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O	409239221	HAUQQMKNVAMLTB-GNFOSXPUSA-N	458.583	5.465	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	409339730	LIMUQNZQYIQTLB-RQZCQDPDSA-N	468.383	5.341	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)SC1=S	409346641	KWNIEIKVLIITKY-KGENOOAVSA-N	470.616	5.022	10	40	JKCB	
O=C1/C(=C/c2ccco2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21	1476360	WQSMYGNUTZPGPU-ZHZULCJRSA-N	464.593	5.700	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3291844	IIRCWSBRQJOWAQ-UHFFFAOYSA-N	469.818	5.667	10	40	JKCB	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CC(=O)N(Cc1ccccc1)c1ccccc1	8820408	FCPAOUZXJXOLNT-MQGABSPSSA-N	470.619	5.677	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	9309587	IQTTWPHJWATLLC-XDXPSGJKSA-N	482.053	6.646	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)C3c4ccccc4Oc4ccccc43)c2C)cc1	13148606	DZDTWFXZCDMXOE-UHFFFAOYSA-N	467.521	5.766	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)ccc1O	13576686	XBGGLOIRWULQOT-SILNSSARSA-N	465.637	5.588	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)o1	13603124	HSUFLVUXGPCUSJ-UNOMPAQXSA-N	482.290	5.432	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc2ccccc12	13800975	WFEBHEPEBYMFLC-XHKDLHGUSA-N	474.589	6.552	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc(C)cc4)C3=O)o2)cc1	15932689	AJOHRWYQIRZLQM-PLRJNAJWSA-N	475.544	6.903	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16000109	CHRGOZMUFAEYQE-CCDWMCETSA-N	471.915	5.502	10	40	JKCB	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)cc1	20324965	YICURBUTJUKBSB-WQRHYEAKSA-N	488.011	6.329	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	26642482	BRSQDGCZFIORHA-IHRLJDSVSA-N	497.363	5.952	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1	59417941	XPMAKLDSNCXTRE-YBFXNURJSA-N	450.391	5.946	10	40	JKCB	
C/C(NC[C@H]1CCCO1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1	101649412	YKPZMMYHZBGUMG-HRKXOBMBSA-N	499.061	5.487	10	40	JKCB	
O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(c1ccccc1)c1ccccc1)N2	103020699	DRIKHERJCMUCBX-AWVRMFGXSA-N	452.554	5.177	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223386501	IMHXHPDTLZQKEC-SVBPBHIXSA-N	468.626	5.670	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)O)cc1	223860482	CXHAVGGUSHDAPQ-JWQCQUIFSA-N	484.581	5.070	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224164713	ZSPHXUOGYRTAOK-KAYWLYCHSA-N	452.627	6.229	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1	224166000	MCTUXAINGXQIBW-LOSJGSFVSA-N	459.018	6.320	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224205469	HWZNFBDLZPZXKL-WUFINQPMSA-N	481.669	6.041	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc2ccccc12	225013297	DBKKZSCYWXEKTF-IZLXSDGUSA-N	466.654	6.557	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c2)cc1C	408724769	ANSPUSVOGPKLLZ-AMQQTSRNSA-N	451.617	6.958	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)cc1	408800164	NIDURMVTKMSFSD-KOEQRZSOSA-N	492.531	5.402	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	408800372	OOIBDDZCIRFILA-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccc(Cl)cc1	408844676	PALATVJGYMXLAN-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O	408877793	UOJYGTDYECXERS-MOSHPQCFSA-N	495.362	5.801	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC	409103437	YIVYBIAVBIFYCE-XYOKQWHBSA-N	483.735	5.111	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c(C)c1	409203505	YKSZLAQMVUJUKE-WSDLNYQXSA-N	450.991	6.914	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1	409242970	QAQNSHPMRPQFLH-KGENOOAVSA-N	477.948	5.121	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccn3Cc3ccccc3[N+](=O)[O-])SC2=S)cc1	409342587	DWFCSVJPHKUYRO-KGENOOAVSA-N	465.556	5.249	10	40	JKCB	
O=C1/C(=C/Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)SC(=S)N1c1ccccc1	618255385	ZZLDHXUHWJGKDM-BOPFTXTBSA-N	478.451	6.359	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	843249	PBDSHLQVCGUEPN-GDNBJRDFSA-N	461.688	5.573	10	40	JKCB	
O=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12	1747695	YWHHXEFSROEROQ-UHFFFAOYSA-N	486.317	6.867	10	40	JKCB	
CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12)CC(C)C	1747705	HFBRBJQGJHEYBT-UHFFFAOYSA-N	481.942	6.952	10	40	JKCB	biogenic
CCCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O	2436748	YWJIIZYDESHXDM-QNGOZBTKSA-N	475.536	5.287	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2447617	NLQRIIFGZITTRC-PFBJBMPXSA-N	487.580	6.064	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c(C)n1-c1ccccc1F	2651366	HWAISSLHKUPVPU-UHFFFAOYSA-N	497.522	6.598	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3ccc4c(c3Cl)C(=O)c3ccccc3C4=O)ccc21	4792020	UUOLBWFSAHRZNT-UHFFFAOYSA-N	491.886	5.143	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)N(C)Cc2ccccc2)C1=O)=C\c1ccccc1	8820608	MEGKQMKXLQMBKD-IFOOIOCMSA-N	450.629	5.273	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCOCC3)=NC2=O)c1	9424451	AYNHTGSKFOUNFT-MOHJPFBDSA-N	488.613	5.021	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(C)C2=O)cc1	9434396	PVNPGSSRAVXRCX-XWCAUFEOSA-N	472.588	5.397	10	40	JKCB	
CCOP(=O)(OCC)[C@]1(C)N(C)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C1(C)C	12524073	RZJCWNDGWHLXDR-KXZZPGAFSA-N	460.471	6.720	10	40	JKCB	
FC(F)(F)c1cc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(C(F)(F)F)c1	18191756	XEZXMBCZUODNQY-ULIFNZDWSA-N	460.381	8.197	10	40	JKCB	
O=C1N=C(N2CCN(C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1Cl	20169435	SJAQQELWRMPPTH-CLCOLTQESA-N	474.029	5.718	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	26607803	WZGFNRKSKZFKEL-YVLHZVERSA-N	454.400	5.802	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)S2)cc1	33749576	HNGMXTCKOBMAEL-ONUIUJJFSA-N	450.563	6.810	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33789097	ATYJOEFLPKPICQ-MOSHPQCFSA-N	494.663	6.138	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	41108242	BRRUEKYPSPIHHG-UORCZGHMSA-N	491.979	5.863	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)c1	59198155	GDRUSXYGTVWUFO-LPYMAVHISA-N	492.373	5.980	10	40	JKCB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12	59418664	MBEVHRDJRZGVBW-BNSSYJEASA-N	497.554	6.242	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(F)cc1	96447638	MHCGZQDNLKEOCJ-LPYMAVHISA-N	450.491	5.201	10	40	JKCB	
CC(=O)Nc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1	100525120	VJLROZVOWPUSPE-JOOHTTSLSA-N	497.378	5.406	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C	103365646	UAIYCHCMMSLVMO-OQLLNIDSSA-N	450.130	5.026	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c(OCc2ccccc2)c1	214521158	DBJWPEPWXSAVPI-WPWMEQJKSA-N	486.637	6.657	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223382118	SBNRYZPMCNJMST-RRPNLBNLSA-N	452.627	5.970	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	223582999	WKIFQEMNBVFWIF-FSTGKYBXSA-N	491.657	5.337	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)O)cc1	223860535	CXHAVGGUSHDAPQ-RPBOFIJWSA-N	484.581	5.070	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(O)cc1	224401030	ZQNXOYMDFHQGDF-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	224436791	JHPCTZLPUFYYCO-CLJLJLNGSA-N	486.572	5.534	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	224481036	FVUQBSBWGSHOML-JWQCQUIFSA-N	475.017	6.020	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260565485	ITKLBQBZWKSOQZ-RVZJCZPVSA-N	482.049	5.456	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(C)C)C(=O)N(c3ccccc3)C2=S)cc1C	408605977	ZQOKNOISQHIMSO-UQQQWYQISA-N	484.621	6.087	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccc(Cl)cc1	408631987	CCRRSPCDDUKEMT-NDENLUEZSA-N	485.396	6.404	10	40	JKCB	
CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1\C=C(c2ccc(Br)cc2)OC1=O	408742887	QIIWEOQRZLWOLW-AWNIVKPZSA-N	498.554	5.772	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O	408873793	VWVSINKENPXNMF-ITYLOYPMSA-N	490.559	5.956	10	40	JKCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	408883734	VURWVWVIPHZZOB-OEAKJJBVSA-N	458.945	5.522	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC(=S)N1c1ccccc1	408903457	YEWUDCOYZHYFKY-FYJGNVAPSA-N	472.418	6.978	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(OC)nc4)C3=O)o2)cc1	408987356	WRRXTFMAQKICGU-CJLVFECKSA-N	478.504	5.608	10	40	JKCB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409095802	IEMKCXDEWPELOF-WWJLXRQJSA-N	490.581	5.271	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c(C)c1	409130222	KUBFWKSTWHOPBM-KOEQRZSOSA-N	458.627	6.689	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1Cl	409327992	OVWPJVQWLHLBBF-LICLKQGHSA-N	482.410	5.650	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1C	409329915	HYYCTOOXBVCHRC-UDWIEESQSA-N	459.514	6.988	10	40	JKCB	
CC(C)(C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	2262962	PWQRSJIIJWOTIR-HAVVHWLPSA-N	475.520	5.510	10	40	JKCB	
C[C@H]1C[C@@H](C)CN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)C1	8789775	QEPAAFOSILKOCW-GASCZTMLSA-N	465.933	5.403	10	40	JKCB	biogenic
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1O	8820135	WPZJIXGHPIWIIP-RGEXLXHISA-N	461.008	5.446	10	40	JKCB	
CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1NC(=O)CC	13566438	KKMWZEBAFNWAKK-UHFFFAOYSA-N	478.530	5.114	10	40	JKCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	13615666	OUTBYZPWYQUNNF-HMAPJEAMSA-N	458.470	5.016	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	14009613	MPDNJISKHXQQDN-ITYLOYPMSA-N	474.601	5.666	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc1	20289038	ZAELAUKCWPZLJN-ULJHMMPZSA-N	473.504	5.148	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	33914674	DNKQFVMKEKZXKS-CYXNTTPDSA-N	496.006	6.389	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)C(=O)N=C2S1	41083734	PMXCAMMXTMGGRB-QKVDKRGOSA-N	467.381	6.163	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)c1	41108393	GPGUOHSQBOEUJM-FSDAICMFSA-N	499.596	5.109	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccc(Br)cc1	59198162	USHZVOWXWQKXAD-FYJGNVAPSA-N	495.304	5.674	10	40	JKCB	
CCOc1ccc(C2=C/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)O2)cc1	59425797	OYKPAMUATZIVHH-UNOMPAQXSA-N	454.353	6.781	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccc(C)cc1	96504991	ZHYUONPDIALNQS-PCLIKHOPSA-N	490.650	6.054	10	40	JKCB	
O=C1c2cccc(OC(=O)C3[C@H]4CCCC[C@H]34)c2C(=O)c2c(OC(=O)C3[C@@H]4CCCC[C@@H]34)cccc21	100289495	DIMAYDDWOJVDEP-BALXVJCKSA-N	484.548	5.145	10	40	JKCB	
C/C(Nc1ccc(Oc2ccccc2)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	113471306	ZNOZIXVWXHYNGV-OOAXWGSJSA-N	490.519	6.524	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc12	215645286	DERDNRSLARPMCV-UCQKPKSFSA-N	484.939	5.542	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223012693	UBVQVPSZDXOGBA-YADHBBJMSA-N	475.445	5.415	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223764730	NXUMEQHGBJZUPY-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224234529	LAIPRUGVCMNGEY-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cccc(F)c1	408887294	NLARMJKUOJJLMW-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)c(Cl)c4)C3=O)o2)cc1	408983768	CKTWJQGPEYDCIL-XQNSMLJCSA-N	495.962	7.166	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)NC2=S)c1	408994254	YNSZSOYUBFCUGR-SFQUDFHCSA-N	491.619	5.489	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409013672	NGCJDQNHDNMGKM-QFEZKATASA-N	474.988	6.242	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1	409048342	SPCPXTOBQCWATG-PXLXIMEGSA-N	490.357	5.273	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409059919	YUXRVHVERKSTCE-PAJXCOJRSA-N	458.533	5.667	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)c(Br)cc1O	409328442	VJRIWKQKRKCNBY-IUXPMGMMSA-N	482.446	5.681	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCC(C)C	409329159	DEACWJJGPIKQEY-DJKKODMXSA-N	468.427	6.443	10	40	JKCB	
O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	409390009	DDOUWXVZPJAQDE-RGVLZGJSSA-N	491.334	5.058	10	40	JKCB	
COC(=O)c1ccc(NCN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	3193876	XZXVYNLLHWEZQN-SXGWCWSVSA-N	453.372	5.051	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C	8984356	IRADPOCAPRCEMI-HGEMSSTASA-N	492.601	5.045	10	40	JKCB	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(Br)c2)C1=O	9233633	QJSLDAXWIQIIFX-OVCLIPMQSA-N	485.222	5.626	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9237098	KAEZJONTHIKCKQ-GMQQYTKMSA-N	471.512	5.596	10	40	JKCB	
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)c1	9357837	QCLQWQSSTRCQOA-MOSHPQCFSA-N	454.404	5.558	10	40	JKCB	
Cc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1C	13894136	RRSSVFVQJDYZCP-BWAHOGKJSA-N	475.635	6.557	10	40	JKCB	
Cc1cc(C)n(-c2ccc(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)nn2)n1	14706499	CPEZGXUAIVHVOX-UHFFFAOYSA-N	483.544	5.263	10	40	JKCB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1	16739972	SKGCTQFMGWHXIQ-ZROIWOOFSA-N	478.184	5.750	10	40	JKCB	
CCCCOc1ccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1	22419054	QGVPLFUXPGTFIB-NDEPHWFRSA-N	472.633	5.857	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	34896973	NDRANGCRCSUIJM-PFBJBMPXSA-N	463.533	5.108	10	40	JKCB	
COC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(Br)c(C)c3C)N=C2C)ccc1Cl	101123292	IDXNTSZOJSSYKB-MHWRWJLKSA-N	476.758	5.224	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC	107671300	OMBCSDXDVONALS-RGEXLXHISA-N	487.021	5.529	10	40	JKCB	
COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1	107965915	XXTMOHPIWOBFQE-NDENLUEZSA-N	469.324	5.042	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208509738	HKLLTLOUWCFGFA-XKZIYDEJSA-N	453.007	6.598	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(OC)c(N4CCCCC4)cc3OC)N21	222680397	YFQWSTHRLJQINO-YRUKQIKQSA-N	452.624	5.069	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cc(Cl)ccc1O	223089431	BVZLQFAEVJISRT-RPBOFIJWSA-N	481.065	6.153	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223614546	UOTUBHSKIBQJIB-DNNAEVNTSA-N	483.077	7.386	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	224333914	JVCXJPZVQFXGID-KAYWLYCHSA-N	452.627	6.229	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403566	ZVEGFFREJLCNBH-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1F	224899151	IIIARRQGQLVKPI-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1N1CCCC1=O	260742669	YBFNDYFCYQRNFL-AZUAARDMSA-N	450.652	5.406	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	408740187	JEOGNBUVQPXXOR-JBASAIQMSA-N	479.583	7.617	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	408855874	GFSCKWVUQVTQOH-RVDMUPIBSA-N	476.772	5.269	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408872779	IRGVERAJJWQWHD-RGVLZGJSSA-N	469.299	5.390	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cc(C)cc(C)c1	408939463	MPMFXQCSSCNTTD-BUVRLJJBSA-N	475.386	6.451	10	40	JKCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O	409012336	QPGUYTGQCUYSEH-SCELWYEFSA-N	478.589	6.647	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	409080547	ILBWQZPIJKGQIJ-LDADJPATSA-N	497.385	5.072	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C(=O)NC1=S	409095020	AVJJKLZLPDCQBK-SFQUDFHCSA-N	467.953	5.026	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12	2296690	WIDYSEVJLIBYTJ-KQOPAWGQSA-N	499.301	5.754	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(Br)c1O	8424870	GIBALRKUVAUZIA-LFYBBSHMSA-N	456.123	5.276	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	8872205	LDKRPFFVKDJANV-HEHNFIMWSA-N	464.477	6.335	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c(C)c1	9159539	WUUQUVUMGVZIPB-VIZRJVHBSA-N	483.597	5.409	10	40	JKCB	
C/C(Nc1ccccc1Sc1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288281	CPTZRGRMZFUKRJ-OOAXWGSJSA-N	479.580	7.114	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)SC1=S	34716463	ZSNZMUXBTAIKSF-BKUYFWCQSA-N	450.541	5.548	10	40	JKCB	
N=C1/C(=C/c2cccn2Cc2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12	41076380	AEIFUECJGGQYEZ-NREDLREFSA-N	451.983	5.389	10	40	JKCB	
O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847573	NVLRNXIQQUGGMU-YZUZCNPQSA-N	480.973	5.666	10	40	JKCB	
COc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br	83317842	UJWOKKRZBGIWJL-VGOFMYFVSA-N	450.126	5.510	10	40	JKCB	
CN(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1	101025825	KRJYEFZBUAXKED-ZRBLBEILSA-N	482.367	5.111	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103566	APRIQNSYFZRNOR-IZZNHLLZSA-N	479.093	6.756	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223350210	VCKTZYDEDSBNOQ-AHWVRZQESA-N	456.615	5.872	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224533851	VHZWBBVOFOJHNV-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C	224565203	GBCLYMAJDSZWHI-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
Cc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	408574861	MYZIBPHGGPQSAK-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)SC1=S	408728242	XWMVVUXOLNKZRI-JMIUGGIZSA-N	457.617	5.038	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)C2=O)c1	408769700	ZPWDALZVLFRPQP-OGLMXYFKSA-N	499.570	6.126	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C(=O)NC2=S)cc1	408844021	BLFCXPVWQAHOEW-LFVJCYFKSA-N	471.626	5.359	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)c1	408876743	QRILBWJYWGOXBK-KOEQRZSOSA-N	464.496	5.545	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408892205	HFUHNVVTGLQKLT-XHPQRKPJSA-N	483.564	5.190	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3C)C2=O)cc1	408984662	IZYVQXXMUWESOZ-HMMYKYKNSA-N	494.816	7.281	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	409037366	NEYNJKPNYVWZLF-SXGWCWSVSA-N	490.388	5.504	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1	1181691	IEWSCOKCTSWDGO-LFIBNONCSA-N	451.400	5.532	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)c(Br)cc1O	1416401	ASANCJBEYYCXRM-RQZCQDPDSA-N	450.379	5.268	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	2451908	XPDSVOATPDVUNT-JIMJEQGWSA-N	451.497	5.157	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1cccc([N+](=O)[O-])c1	2902037	CNSCPKFHVLCTHT-MOSHPQCFSA-N	462.508	5.220	10	40	JKCB	
O=[N+]([O-])c1ccc(N2N=C(c3c(O)ccc4ccccc34)C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1	5838552	ZORWRFJHNOZPGZ-QFIPXVFZSA-N	488.887	6.371	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2nc3ccccc3s2)C1=O)=C\c1ccccc1	8820669	OPNIKAUECLWSEI-UJUKKVGJSA-N	451.598	5.083	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	9846960	VUNWZVKCPLAFFM-UCQKPKSFSA-N	491.385	5.734	10	40	JKCB	
CSc1c(C(=O)Nc2ccc(Br)cc2)ccc2c1C(=O)c1ccccc1C2=O	12371879	RUVBUXYETHZRHU-UHFFFAOYSA-N	452.329	5.199	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15997026	RGSOCVRCBMLVOG-IARZGTGTSA-N	482.539	5.398	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)SC2=S)cc1	16292357	YOGFQPWISGOOSF-UCQKPKSFSA-N	476.579	5.884	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc2c1=O	19793163	QSIZQPJHUOIPMR-HUUCEWRRSA-N	493.478	5.318	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1	34895602	UXUQPYYLQCQFGZ-UOABIIQESA-N	482.613	5.670	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	35039869	NHTDCOMSZGVSPX-ODLFYWEKSA-N	466.496	5.267	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	35074078	TVIAUIHJZPEJMA-CCOMCPQUSA-N	468.026	6.111	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)C2=O)c1	59104981	JXMFKVPITMFSFA-OQLLNIDSSA-N	493.343	5.696	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C1CCCCC1	59109522	XOQKMDLIRIDVKU-DEDYPNTBSA-N	496.394	6.631	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1	103126748	GUIXGUCMCIXXLT-UDWIEESQSA-N	498.764	6.017	10	40	JKCB	
O=C1/C(=C\c2c(Cl)cc(Cl)c(O)c2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113830670	YTMFAHTXYGAWQE-LFYBBSHMSA-N	461.735	5.666	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1	208724743	WNYHYJNPQUKEIW-ODLFYWEKSA-N	483.483	5.177	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1C	223101209	IYYHWGFYLLUNSV-SXOMAYOGSA-N	458.675	6.411	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	223387380	OVYQXQGMOWRHLM-FTJBHMTQSA-N	482.609	5.360	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224536369	UPDATXGPJKSLAL-XRKRLSELSA-N	496.680	6.600	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1OC	408585775	IHUZUVXOVBYTRU-LSCVHKIXSA-N	462.329	5.278	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1	408872744	PPEFQUJNJNILAD-BUVRLJJBSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1C	408876340	OQCSQTUFEWRTRS-HYARGMPZSA-N	479.363	5.867	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	408891057	KOGLWCPAHJNJEH-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1ccc(F)cc1	408902922	SEUCQVOHDXBMDV-CIAFOILYSA-N	495.348	5.982	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408905608	ZVIDEXQGAGUAHN-HYARGMPZSA-N	492.329	5.742	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1Cl	408987473	OVWSHQWLKJZLEX-YBEGLDIGSA-N	475.715	5.882	10	40	JKCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C(C)C	409066851	MPKCBFMAQJYGEG-LFIBNONCSA-N	461.345	5.490	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)NC1=S	409099419	SGLQSRJTDOZRSP-LFIBNONCSA-N	485.049	5.780	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C	409130290	LCUDBGHACWLBAO-WSDLNYQXSA-N	459.011	6.373	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409130951	XLEAVHYQTFLHKI-PXLXIMEGSA-N	485.436	7.070	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc(Cl)c1OC	409197927	SEQYTRPYDGNKGW-NVNXTCNLSA-N	470.797	5.526	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C	409236970	HIVQOYCIUDRAIX-UDWIEESQSA-N	483.515	5.253	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409340042	PHTOXGWEMOEKOX-XDHOZWIPSA-N	483.502	5.336	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1	409340222	SLLHTYKXOYGDKG-FSJBWODESA-N	477.563	5.409	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C(C)C)c(OC)c2)SC1=S	409348943	TZBWTCHWGGHERK-HYARGMPZSA-N	484.643	5.447	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409367227	MAFNGOBOGHZVSP-JLPGSUDCSA-N	471.578	5.865	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc(C)c1Cl	1916163	ZSSIOWGFBMMBMA-HNNXBMFYSA-N	495.925	6.954	10	40	JKCB	
CCOc1ccccc1-n1c(-c2ccccc2)c2c(c1-c1ccc(OC)cc1)C(=O)c1ccccc1C2=O	2083845	UAESFGFPMFPRLR-UHFFFAOYSA-N	499.566	6.994	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	2439536	OIZVCLDBSPQTBX-MTLBIAMWSA-N	478.430	5.731	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1	8443216	BTSCDQQYYBNIKB-UNOMPAQXSA-N	455.739	6.477	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O)=C\c1ccccc1	8820569	IMPOYEQZAXRGHM-GEZYKDBCSA-N	467.572	5.161	10	40	JKCB	
O=[N+]([O-])c1ccccc1N1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1	8843381	SDPIXWJLJVDZOL-UHFFFAOYSA-N	462.358	5.659	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	8997428	BXURNAONIBVMOF-ZFOBRQHDSA-N	477.564	6.710	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	9730572	KFLNCYSLLSNUIF-FLNQGOITSA-N	472.957	5.586	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O[C@H](C)c1ccccc1	13800617	ZMLXOKUUWXXJFE-HQYUOWMTSA-N	495.604	6.530	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O	15011866	AJBIWNUSEFZZGL-CXUHLZMHSA-N	450.379	5.186	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1OC	35039056	BJSKWFNKXZFDFZ-CAPFRKAQSA-N	465.637	5.501	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)S2)cc1	35042644	BPVHLYQJFLFRCY-BUVRLJJBSA-N	457.555	5.615	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1	36082008	WNKFVBFVNUDXSK-VKPUNFQASA-N	453.571	5.378	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1	41083059	DOMSUZMVDVXPGR-VHDUERLVSA-N	463.607	5.692	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106689177	OSCXVNHMVNYFAD-NHDPSOOVSA-N	490.934	7.003	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1C	223101321	IYYHWGFYLLUNSV-SVBPBHIXSA-N	458.675	6.411	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230269	VCZNVLRSROFYNL-FTJBHMTQSA-N	461.679	5.030	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352486	KYFQZZNHVJWVFG-DQEYMECFSA-N	493.032	5.917	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223578351	XEGNPFQDWAXXLU-OVBDPADQSA-N	461.631	5.247	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223981984	OTWLPPRQJBVZGV-CLJLJLNGSA-N	496.640	5.328	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	408537124	CEFNZRNPDCVZRZ-STZFKDTASA-N	499.007	5.981	10	40	JKCB	
COC(=O)c1cccc(Cn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)c1	408543062	OQHJUOJTNLGWFP-IWIPYMOSSA-N	484.602	5.882	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)cn1	408737556	DDSGSKIRQABPBD-CPNJWEJPSA-N	489.358	7.128	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3cccc(C)c3)C2=O)cc1OC	408840948	DUELBMNTYANYKY-KGENOOAVSA-N	477.358	5.609	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Cl)C2=O)cc1Cl	408874770	ALTIUTPMBMRHMU-DEDYPNTBSA-N	465.336	5.559	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC	408880608	GADDOLCPHULZEJ-UHFFFAOYSA-N	490.943	5.721	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1C	408961673	UNGXMXHXUUNJBO-UCQKPKSFSA-N	491.588	5.779	10	40	JKCB	
Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	409205333	HEAAIWBCLYSSQM-HZHRSRAPSA-N	456.546	6.240	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409217478	VWWCXMQDTDMBRR-OCKHKDLRSA-N	480.508	5.348	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1ccccc1F	1240099	LBKKALYYOIGFOO-ZHZULCJRSA-N	455.514	5.500	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	2399043	GUIXGUCMCIXXLT-NDENLUEZSA-N	498.764	5.176	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	8589999	FRLVTHSQQRTALA-SWYRRKHMSA-N	481.017	6.284	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(c3ccccc3F)C2=O)c1C	9261643	OMGXEQCCTOJZDE-FYJGNVAPSA-N	450.491	5.261	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	13897615	PXZSJESGIISUNN-XYGWBWBKSA-N	493.047	6.619	10	40	JKCB	
CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1	13940214	UGGYEQWEUZTRSG-PLRJNAJWSA-N	489.662	6.848	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847415	CCYYUGIUVKHCIW-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)c(Br)c1	59135755	DDNYIYLFGBNWJG-PTNGSMBKSA-N	485.334	5.828	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1	113834218	LDORSVOMGAWEMY-OEAKJJBVSA-N	492.578	5.897	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208326402	BIXZBGPEXUMHEX-IXOWOOARSA-N	475.658	5.555	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222878620	GZLDUDDYPUUWQE-FCHUYYIVSA-N	459.446	6.178	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21	223085229	HDZAMWLOJPXLJU-JWQCQUIFSA-N	481.109	6.672	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224342033	ZUKJCVNSINQLAO-KAYWLYCHSA-N	467.642	5.932	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O	408577547	SZYLCLAIDJRNIE-KQWNVCNZSA-N	474.607	5.672	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1	408578413	YFANFAIPLUCDPO-BKUYFWCQSA-N	480.998	5.763	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408758035	FXAHPCFFXVNLCH-FYJGNVAPSA-N	497.776	5.954	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C)cc1	408802095	CWYVCIOXPFLYQZ-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccc(Cl)cc2)c1	408808777	NIUAVSCDTGLUIU-CIAFOILYSA-N	497.334	5.247	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	408857352	UKUCYPNKEYUBCZ-RVDMUPIBSA-N	460.704	5.104	10	40	JKCB	
COc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408872226	BJUXOXIPIGAPAT-UHFFFAOYSA-N	477.314	5.041	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1Cl	408940613	OHTCVGAFLDLJMT-UDWIEESQSA-N	495.362	6.023	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1	409139466	ALECBHQCQMTHOE-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409153821	NIGVNCDPNRLMJN-NJSLBKSFSA-N	454.286	6.312	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409160316	UCNUHDNDKHBECT-PZROIBLQSA-N	488.731	6.965	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1F	409194765	MCADKSPFYHAKJL-OEAKJJBVSA-N	482.602	5.759	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)SC1=S	409327771	MSDIWMSYILHZMG-JLPGSUDCSA-N	463.624	6.429	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC	409335693	YOXWPTBRVDQKLP-MFOYZWKCSA-N	488.845	6.850	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OCC	409338621	NCVMYYVCGKLEGA-CPNJWEJPSA-N	492.460	6.351	10	40	JKCB	
CCN(CC)Cc1cc([C@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)ccc1O	1558462	FICSZXSNUUGUNN-MHZLTWQESA-N	465.615	5.330	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccccc3)C2=O)cc1	2221547	IGMALDGGAZAJGC-YJZSVRAESA-N	457.530	5.587	10	40	JKCB	
CCc1cc2c(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)ncnc2s1	2637740	HEISJYPAMGBREW-UHFFFAOYSA-N	465.600	5.407	10	40	JKCB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc(Nc4ccc(C)cc4)c2C3=O)cc1	4773693	USXUIUWGIGFKRR-UHFFFAOYSA-N	450.494	5.977	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	8450525	GQCKDMQCWVQCPR-MUFRIFMGSA-N	491.635	6.659	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	8819765	DZIGXZFEBFBLMC-JAIQZWGSSA-N	493.481	6.702	10	40	JKCB	
Cc1ccc(Nc2cc3c(nnn3-c3ccc(Cl)cc3)c3c2C(=O)c2ccccc2C3=O)cc1	9008982	MGOGXQHABQRNJJ-UHFFFAOYSA-N	464.912	5.901	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9158094	XNPULVXXCKFCAH-YKSNEYMSSA-N	460.390	5.676	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C)c(CN2C(=O)c3ccccc3C2=O)c1	9934470	UTQKIXKHJXZKJN-OYKKKHCWSA-N	484.943	5.163	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1	13562319	PKGGONVFBFBMIJ-HSZRJFAPSA-N	468.066	6.329	10	40	JKCB	
COc1cccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@H]2c2ccc(N3CCOCC3)cc2)c1	15219327	AYULBOXVHKIVEG-MHZLTWQESA-N	490.991	5.113	10	40	JKCB	
Cc1cc(Br)c2c(c1NC(=O)Nc1cccc(Cl)c1)C(=O)c1ccccc1C2=O	16268835	GVGKDFFYILLJME-UHFFFAOYSA-N	469.722	5.830	10	40	JKCB	
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(N3CCCCC3)=NC2=O)cc1	16734876	OABQCKYCBVHYDP-FXBPSFAMSA-N	488.613	5.241	10	40	JKCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CC=C[C@@H]21	58928833	WUMWYHHWIPITFH-DPLHUUCSSA-N	476.370	6.553	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2c(O)ccc3ccccc23)C(=O)N(c2ccccc2C)C1=O	59391295	LQINLKRHVWEEMR-UHFFFAOYSA-N	462.505	5.746	10	40	JKCB	
Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)cc1Cl	95474224	RBYARSDXELZDTA-UHFFFAOYSA-N	493.947	6.759	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)o1	107839939	POZHHWPAPFKFHO-AWQFTUOYSA-N	488.924	5.503	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1C(F)(F)F	222612697	GXZMLBBQNAHFAQ-UZQPLGKSSA-N	456.537	6.097	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222924002	WIVRWTMLCWSYMF-XZOQPEGZSA-N	473.473	6.424	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223502404	XUIMQFCBXIYMLV-UIOOFZCWSA-N	488.060	6.019	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)cc21	223509517	PPQULLGGQIGTJD-WSDLNYQXSA-N	494.060	5.890	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)c1	224232802	TYZRUJKXTZRICQ-XZWHSSHBSA-N	488.660	7.128	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1C	224271901	RDUBURRFEATMTQ-VSGBNLITSA-N	496.636	6.012	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C	224565253	GBCLYMAJDSZWHI-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)cc21	224891076	CBRAFHZECXAUKT-FTJBHMTQSA-N	472.633	6.338	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)Nc1ccc(F)cc1	408577098	RFOFXQNZEXUPGU-BKUYFWCQSA-N	482.533	5.388	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(Br)c2)cc1	408767279	YVRYMXRQEGUWMX-FYJGNVAPSA-N	451.295	5.431	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C	408803505	PUOUDAYBZUNFNC-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12	408815475	QJQJARDNUMRFIO-CJLVFECKSA-N	482.923	5.739	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)c1	408899993	SCUBYGMEVORUNN-XDHOZWIPSA-N	478.907	5.341	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408937944	KAQPAHRXGRHSHW-KOEQRZSOSA-N	480.951	6.514	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409017696	OMHVYIDETHJXHF-ONUIUJJFSA-N	497.591	6.275	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)c2C)ccc1Br	409134425	SMWRFJFILNRXFO-HMAPJEAMSA-N	480.431	5.769	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccccc1F	409143066	UGBKKIHNDYQITI-QFIPXVFZSA-N	471.575	5.368	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O	409149448	GMAILKICXJBPJJ-FYJGNVAPSA-N	483.014	5.747	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409210108	DRTBHAMHBGKBRI-FYJGNVAPSA-N	493.566	5.895	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)c2C)cc1	409213379	UAFOVNHLLWRCSF-UCQKPKSFSA-N	475.570	5.086	10	40	JKCB	
COc1ccccc1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C	3351561	ZPSPWGSOMGBLCI-MDWZMJQESA-N	455.457	5.143	10	40	JKCB	
Cc1ccc2nc(-c3ccc(-n4c(C)ccc4C)cc3)cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c2c1	4121890	ONHSTSFLMLEYLZ-QHCPKHFHSA-N	488.587	7.046	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCOc1c(C)cccc1C	9113303	WEKJNOANQHCMOD-HAHDFKILSA-N	495.622	5.764	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F	9434407	SJNDAMVNEBBIBE-FLANLAGZSA-N	486.956	5.342	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(Br)ccc1O	14406643	PGMYSDQILXPRKK-UNOMPAQXSA-N	456.336	5.155	10	40	JKCB	
N=C1/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N=C2SC=CN12	41074306	UETVZOGLVWMSGL-UNWMVYMNSA-N	460.393	5.183	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58846351	VLCBUTLMRSPNSP-QHWMMSMNSA-N	460.599	5.939	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1c1ccc(F)cc1	59135116	OIGAVUIGIQXWIK-PCLIKHOPSA-N	466.468	6.065	10	40	JKCB	
Cc1nc2cc(-c3sccc3-n3c(C)ccc3C)nn2c(O)c1Cc1ccc(Cl)cc1Cl	100919655	OAHQYDDSUAOSKC-UHFFFAOYSA-N	483.424	6.777	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)SC(=S)N1c1cccc2ccccc12	113838892	PHAPQHGEGHMLLZ-KGENOOAVSA-N	480.035	7.643	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c(C)c1	224403869	VHKJLIPNCBXMSN-IXCJQBJRSA-N	484.644	6.731	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1	224568650	WBILUTWNTSZKPG-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1F	224897368	OOXWECZQOPPLII-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
CC(=O)Oc1c(Br)cc(Cl)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O	408744757	ZTPFTIBJPPVVML-AWNIVKPZSA-N	454.103	5.663	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)cc1	408762117	CTYGLBYFEUKKPB-RCCKNPSSSA-N	486.980	6.484	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1	408796089	DJWPZZYPOPRLGG-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1	408867316	LMSBJXACLUIKGP-IMRQLAEWSA-N	476.601	5.879	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2Cl)C1=O	408877591	VYSNWMPAZAMWTN-UDWIEESQSA-N	499.781	6.212	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(F)c4)C3=O)o2)cc1	408986608	RHLVLFJFMMLTTC-CJLVFECKSA-N	465.480	6.344	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409056109	GFAACRLUFSVOLB-OYKKKHCWSA-N	490.987	5.942	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409058051	SBDKBWQNDBTQLA-STZFKDTASA-N	464.924	5.764	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409058528	NRSNHQYRZVIWCQ-PKAZHMFMSA-N	484.596	5.987	10	40	JKCB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409066736	CIBQZEZZGCVYAA-VQGSWFTOSA-N	497.798	5.108	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3OCc3ccccc3)SC2=S)c(Cl)c1	409145903	QIUDLCDMZLEWOM-HYARGMPZSA-N	495.025	5.774	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)cc3C)C2=O)cc1Cl	409179310	RDLCPYQJCUMNNV-CIAFOILYSA-N	469.994	5.232	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S	409198190	ZJOLRGYPGVKOKA-VCHYOVAHSA-N	459.936	5.464	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	409341502	BJFVBZBHBFXFOG-BOPFTXTBSA-N	468.825	6.297	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	409372254	PVHPNQXAJFULLW-QSJINSDNSA-N	450.372	5.488	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@H]2N1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S	1669950	LTNSZPRVAKDTEJ-GUBQRQEFSA-N	484.429	7.398	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc2c(c1)CCC2	2512770	MISZFGGBGLDCRK-HSZRJFAPSA-N	482.421	7.308	10	40	JKCB	
Cc1cc2nnc(SCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)n2c2ccccc12	3283494	STNFVUYWGJLUDL-UHFFFAOYSA-N	492.551	6.175	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)COc3ccc4c5c(c(=O)oc4c3)CCCCC5)c2C)cc1	3398337	MWCXKBNXFOZAFZ-UHFFFAOYSA-N	471.553	5.740	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	8997429	BXURNAONIBVMOF-UBYGEMSKSA-N	477.564	6.710	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1	12412768	IHGRHTSRALEYFY-GZTJUZNOSA-N	476.157	6.822	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	12469098	HSJLBXMGTFVQKV-YRUZYCQGSA-N	489.624	7.253	10	40	JKCB	
COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(O)c2/N=N/c2ccc(Br)cc2)cc1	12661439	CTEMBTGXZUNMFC-CYYJNZCTSA-N	479.330	6.969	10	40	JKCB	biogenic
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCCOc1ccccc1C	13896062	PQMKVAHOESRREO-PDGQHHTCSA-N	494.432	5.055	10	40	JKCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21	20059418	VYMLPZUZBVEGGQ-YXMXGMKXSA-N	475.592	6.261	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NC2CCCCCC2)cc1	20288534	YRZKKCLQCBVOOR-QJOMJCCJSA-N	460.603	5.642	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1cccc2ccccc12	33555401	LYNUCIWBPYEEOZ-UQQQWYQISA-N	489.662	6.767	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc12	58822091	XMYDNQILIXAFSS-OVVQPSECSA-N	462.549	6.624	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c1	58846624	ZRACEZBOXOBMRK-LZCXECNNSA-N	499.463	7.238	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	58849620	JEUGRNHVZCMGRW-ISCCLHIJSA-N	495.044	6.593	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1O	85877940	QEJGHKRTTWGNCT-UHFFFAOYSA-N	475.501	5.312	10	40	JKCB	biogenic
O=C1c2ccccc2C(=O)C1c1ccc2cc3ccc(C4C(=O)c5ccccc5C4=O)nc3cc2n1	100366101	ZVVFDTSQFRBFFO-UHFFFAOYSA-N	468.468	5.109	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1	223496808	LAUSHCREUWONFL-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223972338	ZQGBIANEVRXOJC-NSOVKSMOSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224203420	RMKVXNVFSVIETA-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224308404	SYJQUSRPVFLDMH-IZZNHLLZSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(N(C)C)cc1	224605897	NYGBKXWNLFGVDM-SVBPBHIXSA-N	483.641	5.438	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1	224804950	LZLYJASTMILWBF-WUFINQPMSA-N	498.652	5.992	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)n1-c1ccccc1	225539452	KHOIOJUGIXTTGD-RRPNLBNLSA-N	481.625	5.182	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)SC2=S)cc1	408574754	CRGOUHABLGXQEG-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1	408805155	IXPOJNJCGBBSNT-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)c1	408807110	OEGUSQOIAUZHAG-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Cl)cc2)c1	408847915	VURANKKYTSKTMJ-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408890837	ZYNROGCBGLHUAZ-HZHRSRAPSA-N	498.922	5.444	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1Cl	409038889	FUMINYDEEXLZLI-FPYGCLRLSA-N	455.597	6.148	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409061737	GZCBRNFJRXUUAV-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S	409198268	BIUXZOQEQHAKBS-FSJBWODESA-N	496.032	6.438	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c2C)cc1	409215182	XYNDWHGMRLWELK-OYKKKHCWSA-N	489.597	5.395	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)SC1=S	409328591	YCHVLYHWZFLBJG-JLPGSUDCSA-N	463.624	6.429	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl	1281943	LRUDFACYBFXJQR-LJZVVVFJSA-N	498.409	5.255	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)SC1=S	2197232	OPYJEOIKYGVINV-HAHDFKILSA-N	477.655	6.246	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	4003780	NIOKYXHEYWAKCP-SGIRGMQISA-N	478.545	5.240	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	9161401	NGJVBCCOBCKBSB-PELVVCESSA-N	488.444	6.456	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21	13689396	KGCOPMRRBHHFBJ-JCMHNJIXSA-N	469.497	5.124	10	40	JKCB	
Cc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1	13940303	JMIWBHOYFBVRGZ-ZKNSXIRRSA-N	476.602	5.427	10	40	JKCB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2c(O)ccc3ccccc23)cc1	19326429	UQKDNUZBZQVNTC-UHFFFAOYSA-N	468.597	5.969	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c(C)c1	33699192	TYSBHRVCSSDNRJ-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	35078024	QXHJQBLRKOYXPX-SDHSZQHLSA-N	496.994	5.784	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	58883861	KDBBKNWIQJCOTH-JLPGSUDCSA-N	459.929	5.796	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)c1	102687430	CFBOAWKQFZJJAL-HKOYGPOVSA-N	472.614	5.784	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1	106708509	XHNLJGDCWLDGBA-XKZIYDEJSA-N	481.415	6.402	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224467650	DKRZACLZDJJUBM-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)O)n[nH]2)c1	408633790	PMGISPKUTLTOMB-XKZIYDEJSA-N	476.558	5.114	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1	408738437	KRJULHIDELYFFF-RCCKNPSSSA-N	460.371	6.491	10	40	JKCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408800161	NHWAFWFRFDUWAR-BUVRLJJBSA-N	498.922	5.444	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCC	408868636	AMABZOOMGQCORG-UHFFFAOYSA-N	472.566	5.232	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)cc1	408869552	PWRHCEKDBKSOLK-KOEQRZSOSA-N	480.495	5.245	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409045773	HXPQQVBWEGLJJL-CIAFOILYSA-N	482.323	6.287	10	40	JKCB	
CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C1=O	409129804	MINKBYCNZFIHIS-HMAPJEAMSA-N	483.431	6.846	10	40	JKCB	
Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O	409235439	PZJJYURZJSRFRL-KGENOOAVSA-N	469.994	5.314	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)SC2=S)cc1	409332500	PNYCZUFMQJWCOG-XKZIYDEJSA-N	486.445	7.287	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O	409351593	VFSNSKBVWXZCOM-STZFKDTASA-N	484.440	6.797	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12	686326	CPLCMKOOUAPOOJ-WUXMJOGZSA-N	495.185	5.069	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1	5949264	IYJWWFUULXLGAO-VGPRQDCSSA-N	487.560	5.299	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\C/C(C)=C\c3ccccc3)C(=O)N(c3ccccc3)C2=S)cc1	16136479	TXSXXJSYXCXLEA-GTYGMNQDSA-N	468.578	5.780	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2cccc3ccccc23)c1	33737587	YRLKXFANGBXUIS-XYGWBWBKSA-N	470.981	7.155	10	40	JKCB	
CCCCCCOc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	34702756	MWTOPWWPENVKHS-LKUDQCMESA-N	469.541	6.388	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)C(=O)N=C2S1	41083736	OVNLNUFSKHLJOP-GIWCCIDPSA-N	467.381	6.163	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(SCc3ccco3)o2)C(=O)N1c1ccc(Br)cc1	41108862	VJEKGCJWCXTUPZ-YBEGLDIGSA-N	473.304	5.434	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	58846086	BJABLFHPGONFFN-UNVFRBQDSA-N	499.463	7.183	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2	58847092	LHYFHIQFCWEYDN-XLNZFTOWSA-N	489.399	6.760	10	40	JKCB	
CC(C)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1	102671683	VIQPEYAMIVDDQB-VXNXHJTFSA-N	499.950	5.159	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C	208315566	XEGNPFQDWAXXLU-SDLXJUDFSA-N	461.631	5.247	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4C)c3C)N21	222702266	ZRSAENXUCIMWQQ-GKVQRAMASA-N	451.039	6.430	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223535076	ATQYHPBFVVFHAW-RRPNLBNLSA-N	467.642	5.619	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223615125	QPMNOTADCQBCSO-WTZXFZKGSA-N	493.629	6.640	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(O)cc1	224015532	LDDBETIPWRYHAI-UIOOFZCWSA-N	484.581	5.101	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccc(F)cc1	408740178	AHZGJQKUARCVHV-DEDYPNTBSA-N	495.344	6.547	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)S2)cc1	408772016	KRVCLVVYWMZKIP-LKWZWFHSSA-N	475.614	5.351	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccccc1	408773937	KETNBUMQOBKVFL-SFQUDFHCSA-N	454.313	5.067	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1	408930548	YKVILDNDTQMHRJ-OEAKJJBVSA-N	478.390	5.512	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1OCc1ccccc1	408971238	HRVIFZHEVPJAIZ-UNOMPAQXSA-N	486.877	6.276	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409020278	NKWCZVANMYTXOA-BKUYFWCQSA-N	487.427	6.406	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1	409242859	WGJUYAPBGILQJJ-JJFYIABZSA-N	454.357	5.802	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409327484	KAVHOKCDUJMJBA-NDENLUEZSA-N	452.532	5.337	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1C	409345217	KOLMWMQFSITTKQ-LZYBPNLTSA-N	454.798	5.825	10	40	JKCB	
CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1	2144397	MFTBZPWQJUYEKT-UHFFFAOYSA-O	476.003	5.217	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])cc4)n3)c2C)cc1	3398908	VUQSOPFGZJYMDT-UHFFFAOYSA-N	476.514	5.165	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	9113105	VLFMILMNOOYTQW-JUIDXRIDSA-N	462.575	5.262	10	40	JKCB	
COc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1Br	9209521	ZPYUGADNXXFKEZ-OOYUFVOFSA-N	475.412	5.437	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1ccc(Cl)cc1	12032281	IBRXKLYEBHRLJV-WJDWOHSUSA-N	481.824	5.333	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(Oc3ccc(OC)cc3)nc3ccccn3c2=O)SC1=S	13648550	QKOUSIUAWGEVBC-SILNSSARSA-N	495.626	5.277	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C(=O)N=C2S1	13898606	DTUUACAACDXLIJ-DZNPVLHISA-N	490.629	5.861	10	40	JKCB	
O=C(O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	14166000	BJRUZKFQSVVMNX-DPLHUUCSSA-N	464.518	5.151	10	40	JKCB	
O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	24835066	OIKMVNBWBWFVCR-UHFFFAOYSA-N	479.275	5.176	10	40	JKCB	
Cc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	26580585	DBYKOYYCGHPITP-BWAHOGKJSA-N	475.635	6.244	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1OC	59484902	PSCFALHPEIOOLU-JJIBRWJFSA-N	492.531	5.749	10	40	JKCB	
COc1cccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)c1	59859875	WHPULDFZXMIURM-ZMOGYAJESA-N	456.542	5.670	10	40	JKCB	
CCn1cc(Br)c(C(=O)Nc2cc(Br)ccc2/[N+]([O-])=N\C(C)(C)C)n1	100202833	JZWLPWOOYRTCTH-XTQSDGFTSA-N	473.169	5.073	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1	102934227	YVYHVVXMFHWPLG-JLPGSUDCSA-N	470.479	5.947	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc2ccccc12	222916395	MMKQQLLXRCXPFE-RRPNLBNLSA-N	454.643	6.271	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1F	223495837	BIDOEWPTDWQFRC-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503006	HYSYVHFQJVPYFN-CLJLJLNGSA-N	488.060	6.019	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223903084	HYLXEARUBWIKTO-SXOMAYOGSA-N	482.657	5.436	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224020939	NOXLSRPCRQTLLK-CLJLJLNGSA-N	483.597	5.098	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)cc1	224035138	RVQWBPNSKLNQGV-UIOOFZCWSA-N	484.581	5.095	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Cl)c1	408766471	RCNGDYWCMPFIAJ-KEBDBYFISA-N	470.381	5.232	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1	408873370	PYCYHLALCZUTSZ-XSFVSMFZSA-N	451.309	5.251	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(Cc3ccccc3F)ccc3ccccc23)C1=O	408874369	APVFXHFRIAQZBH-BWAHOGKJSA-N	478.523	5.799	10	40	JKCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	408903162	QEHBBBREMCFRBS-YUMHPJSZSA-N	495.579	5.583	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	409024709	VBHLMMKFXFXLLJ-IDUWFGFVSA-N	497.172	5.642	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409061738	GZLNADXHERSMRI-IMRQLAEWSA-N	468.597	5.626	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)ccc1Br	409127009	PXQWUBQFBYMHBD-LPYMAVHISA-N	487.463	6.782	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1	409329953	IIQPVWRSJGDHQY-BUVRLJJBSA-N	475.038	7.057	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409332959	SSUSJGWPRHXUNK-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1	409339331	HLBWEKHNPRXEBD-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409342477	DKFWMHDGAOPDQN-DEDYPNTBSA-N	479.539	5.505	10	40	JKCB	
O=C1C(=Cc2cc3c4c(c2)CCCN4CCC3)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	2248436	KCMXAVVGGOLIMQ-UHFFFAOYSA-N	479.605	5.134	10	40	JKCB	
N=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N=C2SC=C(c3ccccc3)N12	9438801	ZDSDFQVFINTHTL-WLKIOIGBSA-N	467.550	5.449	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	9520007	CLMLPRVYHHMZAG-OEEDQDNFSA-N	461.978	5.762	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OC(=O)c1ccco1	9805457	PKIMHMYGHBMJGL-JCMHNJIXSA-N	479.579	5.866	10	40	JKCB	
Cc1ccc(Nc2cc(I)c3noc4c3c2C(=O)c2ccccc2-4)cc1	14944953	LCQCYEDJQJGUBE-UHFFFAOYSA-N	452.251	5.696	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16450087	AURAUIYAHKBZEQ-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc12	19793039	WPWKIPBAQUAOCR-UHFFFAOYSA-N	491.550	7.274	10	40	JKCB	
CCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC	28048147	DSGCKALLENRPSL-WOHXKIKESA-N	471.600	5.291	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2Cl)ccc2ccccc12	34828291	QZTRHDXWGVBAIK-KQWNVCNZSA-N	454.913	5.534	10	40	JKCB	
CC(C)(C)C1=NN(c2ncc(C(F)(F)F)cc2Cl)C(=O)/C1=C\c1ccc(Cl)cc1Cl	35622972	ZPHMDYFXGCTLED-MLPAPPSSSA-N	476.713	6.893	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1	58847262	KJOFRFSWGNMRQX-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1OCC	96193322	KALAVOYZSXYDFD-PDGQHHTCSA-N	456.926	5.422	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc2ccccc12	208662924	GAEUEXZOOHAAFD-HMAPJEAMSA-N	492.419	7.268	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223420502	MVJNYELVYGNEJX-RRPNLBNLSA-N	486.616	5.810	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc(F)c1	223459975	RRJGFMULEYTVTM-LOSJGSFVSA-N	457.578	5.196	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223537579	AAPKFFXGWBMYKA-OVBDPADQSA-N	461.631	5.247	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c([N+](=O)[O-])c1	224171633	SVXNTKCGTFISCE-UIOOFZCWSA-N	499.596	5.583	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C	224266098	ZHBHCAFEZWOTIV-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224298995	AOQQWSSNQLRBFO-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224303527	RLVNJAFYFNCQFT-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	408538910	RFEGQBZTDVUJMM-AQTBWJFISA-N	461.345	5.619	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	408742249	QHBVOVODTGVFAP-GZTJUZNOSA-N	487.762	5.194	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2cccc(Br)c2)C1=O	408842114	LWRNSHMSPBEYNJ-XSFVSMFZSA-N	463.331	5.301	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc(Br)cc2)C(=O)N1c1ccc(Cl)cc1	408844552	UHTISBFCAYAFAH-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1	408980051	UBRSCUPDLUYASB-DHDCSXOGSA-N	467.146	5.633	10	40	JKCB	
CCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc23)C(=O)N(c2ccc(Cl)cc2)C1=S	409013048	SKACHOSVOQNNPH-KGENOOAVSA-N	480.973	5.074	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409062181	PDQCGPFYNKYRRR-IWIPYMOSSA-N	474.988	6.323	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1	409100946	XICKKMCHAQABTR-LFIBNONCSA-N	469.280	5.122	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1	409135454	RAKANHXEXQAUII-PDGQHHTCSA-N	453.317	5.109	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21	409165426	YCYYUPWDNJJRIK-WOVHNISZSA-N	462.456	7.876	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Br)c1OC	409181161	YDPBWBFOWVMVKE-VIZOYTHASA-N	488.787	5.665	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Cl	409242375	RKSAIBJLAURLQW-IYSPOMMRSA-N	456.995	5.472	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O	409243476	WQJJYNHOAGVIHZ-LFIBNONCSA-N	489.405	6.181	10	40	JKCB	
Cc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1	8958932	MXRZYLYMVJEKOB-JLPGSUDCSA-N	496.053	6.902	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)c1	9355178	HZSVFPLDUSNIEZ-NDENLUEZSA-N	467.593	6.081	10	40	JKCB	
CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1[N+](=O)[O-]	16678594	PGKJDPKYTMLTNL-UHFFFAOYSA-N	474.517	5.900	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)cc1	16678608	NZVXJUVTFNLFBT-UHFFFAOYSA-N	491.591	7.172	10	40	JKCB	
CCC(=O)N[C@@H](Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1)C(Cl)(Cl)Cl	27025798	JTTAEZZBLLEBEG-DOIQENQNSA-N	480.779	5.094	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(C)cc4)C3=O)cc2[N+](=O)[O-])cc1	32124715	NTWYCOBZZUGTLN-HYARGMPZSA-N	478.620	6.769	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)c(OC)c1	35039323	MLDWOKQNUMEXBQ-ZVHZXABRSA-N	477.607	5.997	10	40	JKCB	
Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2C)ccc1/N=N\c1c(O)ccc2ccccc12	104390096	QWTSQNJVPXEOLI-COGCMUBNSA-N	460.515	7.240	10	40	JKCB	
O=C(NC1=CC=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]12)c1cc(-c2ccccc2Cl)nc2ccccc12	104480060	RMLONFKGBLFJLP-KDYSTLNUSA-N	490.946	6.050	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223418950	KLJFGQGZIFSWJZ-RRPNLBNLSA-N	468.626	5.670	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(F)cc1	223460185	XXPRJRHADKPZPE-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1F	223535219	HICAQZSTUSYCSA-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223839295	RRYFFPUNHSUSNA-SXOMAYOGSA-N	484.625	5.765	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(F)c1	224464141	NILGWNJGBORCTO-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1	408739298	AZTMPBUJZLNWEZ-PDGQHHTCSA-N	471.296	5.319	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	408930785	BZRZCACVYLBSOJ-FBHDLOMBSA-N	458.320	5.633	10	40	JKCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C	409015603	ONYFRMKOUCJVTD-NHDPSOOVSA-N	471.395	5.185	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1	409088039	VTRVGQWOSSJEAY-ITYLOYPMSA-N	499.397	7.407	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409127559	DBPIFHIMKUCOPA-IMRQLAEWSA-N	470.638	7.378	10	40	JKCB	
COc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc(Cl)c1OCc1cccc(F)c1	409135045	PPZQWSXEJPMODW-BKUYFWCQSA-N	496.947	5.467	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccccc3F)c12	409142769	BEKSAIYLTRTSKX-CFRMEGHHSA-N	487.625	6.188	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(Cc3c(F)cccc3Cl)c12	409144746	PRIYMSYYNLIXSQ-MTJSOVHGSA-N	489.037	5.892	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Cl)c1	3765862	ZVWMUQVEXXVDFI-CIAFOILYSA-N	482.970	6.233	10	40	JKCB	
Nc1c(-c2nc3ccc4c(c3s2)C(=O)c2ccccc2C4=O)ccc2c1C(=O)c1ccccc1C2=O	4522786	OZWFNGBNEAKUSM-UHFFFAOYSA-N	486.508	5.096	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)c(OC)c1	8821269	CEUUIJNWKYCSQM-OYKKKHCWSA-N	477.607	5.997	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	8821612	IPLXDPXAKQDCEU-KNGSKEOJSA-N	470.399	6.098	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12	9281523	CEMIFBDSNXTMHW-QHKCELSSSA-N	496.983	5.405	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	9282780	VZTUVINHSMRUEF-NAAAPUFRSA-N	463.563	5.157	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3c(-c4ccccc4)[nH]c4ccccc34)C(=O)NC2=S)c1	9319522	NRSKGHWHYFDEAL-RCCKNPSSSA-N	451.551	5.283	10	40	JKCB	
Cc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	13550711	MIRQIFMYYLFMKB-UNOMPAQXSA-N	491.619	5.149	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC1=S	13648407	IZNRSZPJCRQEOD-TVJQZGFISA-N	493.654	5.904	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)cc1F	16729214	BCODIZRNKOXFFE-VOMLJKFNSA-N	481.618	6.077	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	17150169	FVMKFEFFOPPXCX-UNOMPAQXSA-N	475.416	6.120	10	40	JKCB	
Cc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c12	19794043	VNKLUBCUZMTRFX-UHFFFAOYSA-N	469.585	5.325	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)o2)cc1	23477787	CJSLYQXIAFSLIH-BEHXWQCNSA-N	476.558	5.323	10	40	JKCB	
CC(C)(C)c1cc(-c2csc(Nc3ccccc3)[n+]2-c2ccccc2)cc(C(C)(C)C)c1O	26570090	MMFUWUUEZQSXQX-UHFFFAOYSA-O	457.663	7.736	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	33379009	FHKQNMZXIHOBGM-DHTWHNCJSA-N	469.851	5.068	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	33424253	OOCLEPFRQFJOCD-NDENLUEZSA-N	452.513	5.265	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	33587171	NPIORKJWNNZGOJ-BDOIYDCOSA-N	467.476	5.429	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	35213808	QJWDTDLOGKFRSB-HHKDCCKLSA-N	480.018	5.671	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	38204195	FSTVCBIWCOAROY-XWFKJQDLSA-N	456.571	5.782	10	40	JKCB	
O=C(C1=CN(c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCCC1	49003939	DSZDYROUPAXJNV-UHFFFAOYSA-N	471.793	5.426	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)cc(Cl)c1O[C@H](C)CC	59104748	LHXWMCGNJYPVCU-WJHGTXIHSA-N	486.908	5.151	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(F)cc1	59418173	RUEOKUSXLJLPIE-HZHRSRAPSA-N	471.619	6.337	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59459804	ZKAQSWWBKZPGQZ-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)o1	106701419	JKXAEJZVKHMDPX-JMIUGGIZSA-N	488.348	6.497	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCC#N	107954259	GHESFZFIPDXCCO-LICLKQGHSA-N	450.463	5.022	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)S2)cc1	208474680	BUMSZBZVPYKSPI-UUYOSTAYSA-N	452.023	6.617	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224205431	HWZNFBDLZPZXKL-IZLXSDGUSA-N	481.669	6.041	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224334254	CDPBQSRODVWMAV-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224534395	WHTVRHRBFXQCNS-IZLXSDGUSA-N	497.668	5.741	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1	224868416	WIYPKZCDRHGQJT-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc(Br)c4ccccc34)C2=O)ccc1Cl	408530788	JONGJPGZXMHUCG-ATVHPVEESA-N	470.754	5.983	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)c1	408767352	ZQAWWHSTTCJTMP-DEDYPNTBSA-N	475.928	5.615	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408950461	KJGGMEYCEKQYJC-UDHITNQKSA-N	498.623	5.998	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(C(F)(F)F)=NN1c1ccccc1	408970334	GHVHIDFNAVMJMH-STZFKDTASA-N	467.403	5.522	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(F)cc4F)C3=O)o2)cc1	408986932	SYEBXEQFBNHQCZ-RCCKNPSSSA-N	483.470	6.483	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)N(c2ccccc2)C1=S	409017343	MVBZFAHVGMCAFZ-LGUFXXKBSA-N	499.680	6.345	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409084088	WLMVHZNMWFHFFC-SCPBCGJWSA-N	467.443	5.781	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)cc1	409210478	JAUYAEITGCCVQT-DEDYPNTBSA-N	475.513	6.770	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1F	409342972	FNYPWYUHGWAHFM-ZVHZXABRSA-N	476.573	6.682	10	40	JKCB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC	409345160	KBNRJNVGCSQULU-NVMNQCDNSA-N	496.473	5.984	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1ccccc1F	409345832	KBHQRAKJZHONPE-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S)c1ccc(Cl)cc1	409349014	UBNKXFARZFFJLJ-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
CCOC(=O)c1c(NC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2	935478	AWIYWJWLKILPGQ-AUUYWEPGSA-N	486.659	5.517	10	40	JKCB	
CCOC(=O)c1oc2c(CN(CC)CC)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1	1811564	UCEJMBPMXIBCML-UHFFFAOYSA-N	480.586	5.356	10	40	JKCB	biogenic
O=C1N=C(O)/C(=C/c2cccn2Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1	2259152	VSWGDWWOHWAIEW-BOPFTXTBSA-N	458.276	5.489	10	40	JKCB	
CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c1C	2660629	FKAZTABXHHGWSQ-UHFFFAOYSA-N	492.522	6.154	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)o1	3181316	ZZLSMGIQFLTTCF-ZHZULCJRSA-N	481.599	5.287	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1C1CCCCC1	8712111	GWUQWDUXVHYIEV-KOEQRZSOSA-N	459.636	6.953	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)SC1=S	8870021	KSDVMHTZGUYCIR-LICLKQGHSA-N	472.016	5.547	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1O	9232287	FTSGCKLDPMBKIL-CAOOACKPSA-N	450.379	5.186	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)C(=O)N=C3S2)c1	9293596	VXQIKYLVKCIKKJ-ZHXICNOMSA-N	497.624	5.718	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	14166060	HLWMVSWXILODEG-DXBVXKBHSA-N	488.609	5.717	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1	16914329	VCEWZWGWHQAFCL-AREMUKBSSA-N	496.577	5.065	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CCCCCCC2	20168301	LJIWTCOZEBXBSZ-NLEAXPPASA-N	473.635	5.606	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1	33928637	QOWBGVZRSVTNKI-NMHFRFNZSA-N	471.561	5.518	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	41076722	YJJXLQPWCZYJKY-CJSRDQHASA-N	489.601	5.743	10	40	JKCB	
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)c(C)n1-c1cccc(C(C)C)c1	58157473	DAZRDPOMPAGCBH-HXUWFJFHSA-N	470.577	5.261	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccc(F)cc1	59135885	RKKLTIXGYCNWRP-CPNJWEJPSA-N	494.519	5.614	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1	59418128	GPETUAAVDDTJDW-DEDYPNTBSA-N	469.971	6.183	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1	83302518	DAJXSAWYHZOUSS-HKOYGPOVSA-N	477.607	5.949	10	40	JKCB	
CCN(Cc1cccc(C)c1)c1ccc(/N=N/c2ccc(/N=N/c3cccc(C)c3)c3ccccc23)cc1	87492888	MCCYEPBLIGPTFV-VHJMTFITSA-N	497.646	10.314	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(Nc4ccccc4)=NC3=O)cc2OC)cc1OC	97990638	CHFLZLHRJATYTK-OEAKJJBVSA-N	490.537	5.014	10	40	JKCB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)C[C@H](c3ccccc3)CC1=N2	102727668	AIQCSDKTKUMZMH-NFQMXDRXSA-N	463.537	6.200	10	40	JKCB	
CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1	102929710	HJVCFNUUFZDFQM-NDEPHWFRSA-N	483.587	6.998	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	103919021	KNUSSJPFBLCEKJ-UQQQWYQISA-N	490.947	6.929	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)cc1	208670078	GNESLJBUVJHKMG-OYKKKHCWSA-N	491.037	6.757	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)N21	222702850	PRRSIUXSJSWHEU-DQMJNTIXSA-N	467.038	6.131	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCN(C)C)c2C)c1	223230706	WLLMWMPEMPYWBC-CLJLJLNGSA-N	461.679	5.030	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224011645	MATAQYDVQPXSBS-RRPNLBNLSA-N	482.609	5.703	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1	224521818	HOTRQZAHGANMMK-FTJBHMTQSA-N	470.642	5.899	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1F	224902096	XEGZUHQANYYAPZ-VSGBNLITSA-N	484.644	6.731	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1O	225345085	CZHZYCUXMVXXLF-WUFINQPMSA-N	498.652	6.159	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	408885091	XFHASBCHWHMGDG-UCQKPKSFSA-N	481.379	6.278	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	408996312	HLXOMSRQYKRLNR-XGDNCFSYSA-N	496.563	5.138	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2C)ccc1Br	409146247	RUFSVAJMPZBYLL-JAIQZWGSSA-N	487.444	6.159	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1cccc2ccccc12	409329634	GUPBIUZBIGBZHM-BKUYFWCQSA-N	482.413	7.812	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc2c(c1)OCO2	409337950	AEOOXAWTYXDBJQ-VXLYETTFSA-N	475.469	6.100	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1	1098312	IIWCZMGMHDCQMW-ZIHVZMLCSA-N	452.576	5.209	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1C	2282333	BYPGFEFBAAHEIA-GJQHCVRFSA-N	489.618	6.185	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3cc(C)ccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	2453462	YWVAKEKOPYBZNG-UPRLRBBYSA-N	477.560	5.416	10	40	JKCB	
COc1ccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(OC)c1	3352543	SPPLSHFUNQYAQG-WUXMJOGZSA-N	485.483	5.152	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc4ccccc34)C2=O)cc1	8819552	ZXUOYXZPJSDNGA-JWGURIENSA-N	490.606	5.247	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(CCCC)cc3)C2=O)cc1OC	8821249	ZRIHHJDJULPUQU-QJOMJCCJSA-N	455.645	6.623	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1	8919876	IVWULXATDPVHCT-YPMLDQLKSA-N	483.859	6.840	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3cccc(C(F)(F)F)c3)c2C1	16605242	QMRDJYUVRVYWKB-UHFFFAOYSA-N	462.309	7.081	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1	16678572	AOSMDIIQDBPAOF-UHFFFAOYSA-N	460.490	5.267	10	40	JKCB	
O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	32932306	ZMGNUAOGLLRBFK-QHCPKHFHSA-N	475.928	5.835	10	40	JKCB	
COc1c(Br)cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1Br	35402448	IWYUIPYXBLPHNM-DHDCSXOGSA-N	482.197	5.611	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58848193	SJYQTMNDUCLYEW-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1OCC	58883875	LXGKXZRXPZFNCO-PDGQHHTCSA-N	490.383	6.058	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)SC1=S	59418266	GSAKNKSKLFBIRS-WOJGMQOQSA-N	466.397	5.778	10	40	JKCB	
C/C(NCCc1c[nH]c2ccccc12)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100095497	MJYQBUQPFWFNFD-CPNJWEJPSA-N	469.492	5.149	10	40	JKCB	
CCOc1ccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1	100525151	BZZAOKJCSFWLTI-WWDJGNSZSA-N	484.379	5.846	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)CC	108981453	HCBNYNONXZJPJX-YYTPVVGHSA-N	493.785	5.140	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222968587	SWPGGRWPMVKERZ-GOTSBHOMSA-N	473.473	6.569	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	223488506	PJORCUVINJANIJ-CIAFOILYSA-N	463.965	5.417	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223540712	YVMKTMUOINCTTN-XNMGPUDCSA-N	467.642	5.674	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)cc21	224291478	XQAMAVMJMWXQPS-SXOMAYOGSA-N	468.670	6.507	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224845347	BUUKKRCHVMJDOZ-FTJBHMTQSA-N	499.640	5.387	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)cc21	260914658	GVAJPMFYOFXODU-YRUKQIKQSA-N	483.081	5.518	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	408782260	GIESTAGXOFGHEE-FDRCZSESSA-N	470.569	5.537	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(C)c3)C2=O)cc1	408805779	LMHAEBMHQQLRIM-HZHRSRAPSA-N	490.943	5.293	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1	408895777	FQSBZMYCTGBZCR-UQQQWYQISA-N	470.525	5.029	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(C)C	408899332	OMGPCWKJJRLDGD-HYARGMPZSA-N	461.949	5.537	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C	408902813	RQLJQTRMJZKZOG-CIAFOILYSA-N	465.556	5.417	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)C1=O	408938446	QSTBHPQCNMRBMW-MOSHPQCFSA-N	481.335	5.547	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(O)c3)C2=O)cc1Br	408986326	PRPTWXVIWKCMPT-CPNJWEJPSA-N	462.343	6.025	10	40	JKCB	
CCCCCOc1cc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1OC	408986488	MFUARHVZJCGDNK-HKOYGPOVSA-N	485.540	6.007	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408995888	BWCHNSWQKXMTGN-FVBVXOILSA-N	453.538	5.699	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1	409005069	DCHKTQVETGCMDJ-JCMHNJIXSA-N	481.415	6.136	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)cc1C	409014159	FUDRDTJQVLSRSX-XDHOZWIPSA-N	468.987	5.836	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S	409195776	QJSVKSIJJBXSRQ-QRVIBDJDSA-N	461.587	5.784	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O	409239322	PJZFATNQNKZBIV-HZHRSRAPSA-N	483.955	5.876	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O	409340401	WNEARQKRPBXTKF-WGARJPEWSA-N	489.706	7.267	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2cccc(OC)c2)SC1=S	2958024	OLILZWHTNTWIEE-UNOMPAQXSA-N	494.432	5.137	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1	3357591	OBZINGRAFQMMLT-DHZHZOJOSA-N	472.419	5.460	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccccc1	4083453	ONRYDAJABJERNQ-LFVJCYFKSA-N	499.954	5.876	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1OC	8821252	CCRWVLCNLZLSTB-BKUYFWCQSA-N	459.589	5.297	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	8871678	CUNCTSYVBLJYTH-OLCHLOJWSA-N	481.481	5.222	10	40	JKCB	
O=C1N=C(S)N(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(N2CCCCCC2)cc1	9009386	ZARCOIPCOWCSKL-PTGBLXJZSA-N	455.583	5.463	10	40	JKCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	9192033	SURJKLCRDNXLIV-KFQNLNRXSA-N	465.749	5.214	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	9293187	VRRXBAPYLBVOBZ-IZHZPMQVSA-N	483.641	6.837	10	40	JKCB	
O=C(O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@@H]3C=CC[C@@H]32)cc1	18190829	CTPFNZRVWWGLTP-NYULUDCUSA-N	496.588	6.165	10	40	JKCB	
CCCCOc1cc(Br)c(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1OC	36617139	WGSNCVFWMKVUJS-MFOYZWKCSA-N	458.443	5.494	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2Cc2ccccc2)cc1	44086300	QKCBMAUNWKCRKP-UHFFFAOYSA-N	450.589	5.103	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccccc1Cl	59136080	NJQUHSPXCSSCSO-SFQUDFHCSA-N	496.947	5.738	10	40	JKCB	
O=C(c1ccccc1)c1ccc(Cl)cc1Nc1cc(-c2ccccc2)c2ccc(Cl)cc2n1	79047087	LBODNOXAUGSBKW-UHFFFAOYSA-N	469.371	8.183	10	40	JKCB	
COC(=O)c1cc(N/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)ccc1Cl	97944359	OPWSTUPNEPNFIS-JYRVWZFOSA-N	473.143	5.805	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101963	NDCVPGHDYFGWBY-RRPNLBNLSA-N	458.675	6.411	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223315305	LAZGFGXSKDSQKL-GEWUYGHSSA-N	474.674	5.511	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc(F)c1	223535472	SHWPSCRREMLVPN-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223757042	VBYVRUSZZBYILD-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223821475	SSBDDFCWRCCKPV-PXJZQJOASA-N	496.680	6.682	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223865475	YJGKFECRLBQCOE-BJKOFHAPSA-N	455.587	5.075	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224237790	MPTWIVACPZDASI-NSOVKSMOSA-N	481.669	6.041	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224301318	QUIIVMQEXNECAD-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C	224566906	ICSBGENMCMEAKS-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260922624	QODLJJONVAGJPW-KAYWLYCHSA-N	484.669	5.895	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O	408574260	LITMKVCEPMGAJQ-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1	408804480	AICBKGFWZRTPNR-FYJGNVAPSA-N	495.362	5.801	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccccc1	408817901	WNYDZHWONOYWBM-KNODNDBYSA-N	470.662	7.148	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(Br)cc2)cc1	408840325	DLJZXZPKYQXYOD-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1C	408854960	LFUOWDVYCCVIFJ-BOPFTXTBSA-N	455.297	5.537	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Br)cc3)C2=O)cc1	408884588	XQELTPNHRXXICC-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2sc3ccccc3c2Cl)cc1	408995583	KCJNPQMZBMNWNP-LTGZKZEYSA-N	488.996	6.797	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)c1	409014383	PICMCBPNPVUHHZ-MFKUBSTISA-N	471.626	5.666	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409016454	IXBNOTRHIZZNPS-XYGWBWBKSA-N	499.563	5.156	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409069107	LGYPUGZEHRIYDX-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21	409165425	YCYYUPWDNJJRIK-UZINWLIJSA-N	462.456	7.876	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1	409239768	QGHDKUWQYRRJCF-SRZZPIQSSA-N	484.781	5.603	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409332788	RVKOLBZKYNZTFJ-PXLXIMEGSA-N	464.568	6.333	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1	409332907	SFIMLDGVSTUNMM-HZHRSRAPSA-N	464.587	5.877	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C)n1-c1ccccc1F	630340	JYOBOXCPRFLBKX-UHFFFAOYSA-N	462.575	5.979	10	40	JKCB	
COc1cccc(OCCn2cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)c1	1265759	JEDZSSXRGXLPMJ-IWIPYMOSSA-N	499.498	5.375	10	40	JKCB	
CC[C@H](Oc1ccccc1)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	2726027	VETKYPQBUWFYRK-QHCPKHFHSA-N	460.357	5.984	10	40	JKCB	
Cc1cc2nc(N3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)N=C3c3ccccc3)sc2cc1C	6019471	YQKVTJNTENMRST-STZFKDTASA-N	454.511	5.656	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	8821280	MNXAOKVTYKXZKM-UQQQWYQISA-N	494.081	7.667	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1	8984114	HMUORWCKGNISIH-KRKDOYDSSA-N	498.992	5.144	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1	9680440	NICPBRIZSIISEM-HYARGMPZSA-N	453.473	5.331	10	40	JKCB	
COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c1	9805356	AKLGBBCOGGXGPS-HAHDFKILSA-N	463.580	5.689	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(C)n1-c1ccccc1	13096945	VMRPLRVCVGXLCK-UHFFFAOYSA-N	467.569	6.818	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	13802223	OCWILYTZQKOEFS-CJLVFECKSA-N	479.623	6.742	10	40	JKCB	
CCCCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3OCC)c(C(F)(F)F)oc12	19793161	MNFDXTDEPOWAPR-UHFFFAOYSA-N	479.495	6.330	10	40	JKCB	
O=C1Nc2ccccc2/C1=C\c1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12	20059171	NASBZLQTDQHZNX-FYJGNVAPSA-N	478.390	5.299	10	40	JKCB	
CC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(Cl)c(C)c4)c4ccccc34)C(=O)N=C2S1	27549615	QSXMOEVMAWWJHM-ZKZDLDBDSA-N	477.977	5.321	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1	35363496	NZLNXRPFIXPHHS-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1	58848430	QQCHWTOBHPSKEC-DFIYOIEZSA-N	450.535	5.462	10	40	JKCB	
COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)ccc1/N=N/c1c(O)ccc2ccccc12	104389046	QYWBQBADPDTPCU-RNDSACKQSA-N	462.487	6.632	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1	220993160	DJBPVUQHPQGVCC-KGENOOAVSA-N	492.984	5.149	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223419166	ZUKDKMYJSIKALR-VSGBNLITSA-N	482.653	5.979	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223458459	UKSSNNXHQBIICQ-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223761782	RMGWZTYBIKRMNR-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	224240156	WJQUJPZMKYGANH-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224337735	NLGPJXCLPYRKRL-SVBPBHIXSA-N	496.636	5.927	10	40	JKCB	
Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1C	408645238	ULHTXADTVRRLLB-JOCHJYFZSA-N	450.538	6.241	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	408738409	XBIIVCGJVTWJDI-HKOYGPOVSA-N	476.532	7.450	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2sc3ccccc3c2Cl)cc1	408756860	ULPTXHQOYHWTHF-XSFVSMFZSA-N	489.940	6.306	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2Br)N(c2ccc(Cl)cc2)C1=O	408760243	VGWPWRQMOKGRJB-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1	408763163	RNYQEAHPTHTZMH-CPNJWEJPSA-N	475.913	6.003	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(Br)cc2)C1=O	408843106	QHZIPXXTOXHPKJ-HMMYKYKNSA-N	463.331	5.301	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)C2=O)c1	408881469	NJEWUROQORUSNY-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1	408968930	CYKLIVMNHVVENP-PTNGSMBKSA-N	451.231	6.602	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccccc3F)c12	409141027	GWQOWUCDTLDNKE-XYGWBWBKSA-N	492.685	7.173	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1c1cccc(F)c1	409202406	SJRQTMCTQLHDFS-JFLMPSFJSA-N	494.616	7.388	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1	409352918	ZKJBMBDFCUMEOP-ODLFYWEKSA-N	483.483	5.177	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1	1011253	WFKFKYNNKLNDCH-HYARGMPZSA-N	490.631	5.726	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccco1	1889490	FRZFVGNRSSREOG-JAIQZWGSSA-N	486.958	5.822	10	40	JKCB	
Cc1c(C(=O)Oc2ccc(/C=C3/SC(=S)N(CC(C)C)C3=O)cc2)oc2ccccc12	2198638	GKGMEKWLVVRWIW-UDWIEESQSA-N	451.569	5.818	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccc(C(C)C)cc3)C(=O)N=C2O)cc1Cl	2384938	BLUPNLLEUGFWNW-HZHRSRAPSA-N	491.975	5.523	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	2706971	CHXDFHMQNYSBMK-NDENLUEZSA-N	476.406	7.058	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc(C(C)(C)C)c1O	9189258	ROPHQZFJHWGPEH-QJOMJCCJSA-N	495.664	5.919	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9282790	HWCVVEVJHGEFJM-MBVGAYPFSA-N	473.989	5.609	10	40	JKCB	
Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1C	12223360	UGHJIVKJHAYDDI-PDGQHHTCSA-N	475.433	5.296	10	40	JKCB	
CCCN1C(=O)/C(=C\Nc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)s2)C(=O)NC1=S	13145624	QOFVTLKNODSRML-RGEXLXHISA-N	476.627	5.043	10	40	JKCB	
Cc1cc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1Cl	13751192	LBVUNMVSXZOKSW-XSFVSMFZSA-N	467.884	5.175	10	40	JKCB	
CCN(CC)Cc1cc(Cc2c[nH]c3cc4ccccc4cc3c2=O)cc(CN(CC)CC)c1O	16678390	OLTBVHWWLADEAZ-UHFFFAOYSA-N	471.645	5.661	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)cc2)cc1	20529088	SZGUWLDVMTURRF-FTXVFGDUSA-N	462.634	5.450	10	40	JKCB	biogenic,in-vitro
COc1ccc([N+](=O)[O-])cc1/N=N/c1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12	33839080	SOFRHZUTPGJWAM-CYYJNZCTSA-N	487.428	6.038	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(Cl)c(Cl)c1	96936012	HQZWFEAXYGTLKE-CXUHLZMHSA-N	455.363	5.363	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223102772	UURMQBKSPIKTRP-IZZNHLLZSA-N	479.093	6.756	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862017	XBGWPOFDYABXBQ-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224201513	SQQHYWHKYRUVFL-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224202182	QDNCTRAUSKYJKO-NSOVKSMOSA-N	466.654	6.537	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)cc1	224385238	BYHZVBDEDZXVET-IZLXSDGUSA-N	482.653	6.490	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	260914366	GKMLKLYZYSBSOJ-BJKOFHAPSA-N	499.080	5.292	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O	408603398	QLDQCDMVOSHFRL-MHWRWJLKSA-N	475.715	5.882	10	40	JKCB	
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4ccc(Oc5ccccc5)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736123	GPKFDOYLGLKFRE-XHWIWGEHSA-N	490.559	7.793	10	40	JKCB	
CC(C)Oc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	408809234	NOWNDMJBAKXNDA-HZHRSRAPSA-N	490.943	5.373	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(C(=O)O)cc1	408902304	MWUUHVOORNUESL-HZHRSRAPSA-N	456.498	5.169	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C	408960880	PEKMFVYPLPXYBE-BUVRLJJBSA-N	471.626	5.413	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Br)c1OCc1ccccc1	409039398	WLIASXGCMDMHFP-ODLFYWEKSA-N	492.460	5.894	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(Br)cc1	409083996	LZZDXNWVEBPEEK-NPBUNYCVSA-N	477.449	5.237	10	40	JKCB	
CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)c2C)C1=O	409166866	HCEUXMINQVTCAW-FSJBWODESA-N	484.383	5.893	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1	409225190	JRKWTUBALVSVLV-KOEQRZSOSA-N	485.653	5.885	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)cc1Cl	409251836	WOKLLSZHSICNHJ-KEBDBYFISA-N	467.953	5.026	10	40	JKCB	
O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409329707	HHBDVKOHTZFEMA-VGOFMYFVSA-N	492.190	6.004	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1C1CCCCC1	409333217	RHQUIKNBOHFJPW-FSJBWODESA-N	485.049	7.016	10	40	JKCB	
CCOc1cc(Br)c(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	409335088	YQDKSTMDSZIDCT-GRSHGNNSSA-N	478.433	5.879	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)SC1=S)c1ccc(Cl)cc1	409345318	LGVZTWKCKWIYCV-HYARGMPZSA-N	474.994	6.193	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc(-c5ccccc5)cc34)c2C)cc1	3267578	ZFECHTLOFJNXAL-UHFFFAOYSA-N	469.635	7.049	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(C)n1-c1ccc(F)cc1	3269115	NMOAZTWPBUOUER-UHFFFAOYSA-N	455.700	5.628	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c1	8821438	FGNAYILEPAGFDA-RGVLZGJSSA-N	474.390	6.862	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	8856639	WNUUYMPQYIXGBN-MHWRWJLKSA-N	461.688	5.778	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C	8916121	GPVGUCZVZPBVER-OPATVOHWSA-N	492.601	5.189	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c(C)n1-c1ccc(O)cc1	16268433	DROQTAUFZYBKRQ-GZTJUZNOSA-N	486.380	5.778	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)c1ccccc1	33529433	TXTXYOSIWMTGKP-DWGAWOTKSA-N	475.635	6.627	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1	59198237	JRAWTPGJWVLBHD-WOJGMQOQSA-N	485.721	6.178	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223392256	KZSPFHXPKOJEIQ-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223444025	NARZKWJTVLUJFF-SXOMAYOGSA-N	484.625	5.371	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224900639	XBYWDSIQKCDNQH-SVBPBHIXSA-N	486.616	6.122	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408647249	WTJHVPDJYKZYIB-LJQANCHMSA-N	497.507	5.541	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408743436	UCAGOJZULIRNPJ-RAXLEYEMSA-N	462.126	6.997	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1	408803758	TVKQYHRCDJRLDU-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1	408874705	FMDAFZKAMADOBN-HYARGMPZSA-N	478.907	5.135	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C2=O)cc1	408895311	DYRPQBAJSJBEIB-KQWNVCNZSA-N	458.514	5.082	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	408901504	GGLYKINFTBUMCG-RGVLZGJSSA-N	455.316	6.518	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1	409137279	WLTOGNNTRDLZKE-BKUYFWCQSA-N	483.376	5.973	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	409326836	FDLZKONBZOXQKT-NJDFMEINSA-N	468.427	6.585	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O	409332848	RSTMFHZDGDUFML-MYKKPKGFSA-N	479.642	6.708	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)SC1=S)c1ccc(Cl)cc1	409342168	AHJUUPMAIVPJOC-APSNUPSMSA-N	492.807	5.130	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cccc(Br)c5)c4C)c(=O)n3c2cc1C	409394059	VBNFVIUXWKVCMY-JJFYIABZSA-N	478.415	5.244	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N[C@@H](C)c3ccccc3)nc12	1103801	KVOHTKFXNQAKPX-IZQLPPHKSA-N	478.643	5.033	10	40	JKCB	
CCN(CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccc(F)cc1	4415991	IUQXIOUBUALYAC-RUZDIDTESA-N	480.027	7.464	10	40	JKCB	
Nc1c(/N=N/c2cccc(/C=C/c3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	6150549	CRCOCKHORNPKSY-GQERNKAJSA-N	469.526	6.131	10	40	JKCB	
Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)cc1C	8439198	BNLMZYAWYZYVJD-UHFFFAOYSA-N	472.632	5.139	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1	8440635	QDWZVQWKFWJUSP-CPNJWEJPSA-N	492.789	8.378	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C(=O)N=C2O)cc1	8738327	ORHKKGCWIBBNSZ-ZGPWBKFBSA-N	496.394	6.228	10	40	JKCB	
CC1=NN2C(=N)/C(=C/c3cn(CCCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1	9246946	OWFWPBCYQIVRNE-NEAWXCLQSA-N	471.586	5.366	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	13773938	OVTKRJXPWUAAMS-GRSHGNNSSA-N	479.454	6.176	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O	14132762	XZYQDDIGRYVGLO-XQNSMLJCSA-N	455.558	5.366	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1	17112929	PXDTXHUJLGWLRX-DEDYPNTBSA-N	468.340	5.912	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1F	33423907	OGPDUUIJLKMCEH-ZDLGFXPLSA-N	496.878	5.279	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1cccc(F)c1	33665165	PYYZQDZQQWXRPZ-OCLIGMCMSA-N	461.497	5.040	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1	58848702	YQARUGNOIWTKBP-OBTVHEKISA-N	460.599	5.939	10	40	JKCB	
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	89825914	XZIBCJKEAMMXOM-NDEPHWFRSA-N	480.903	5.896	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391184	UCVGFMDRXARZOE-SXOMAYOGSA-N	496.636	5.668	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542739	VDFWZSCYAQYTPV-CLJLJLNGSA-N	497.624	5.063	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224206742	XRVDWVVJDKSMPK-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224236384	UECLVPHKZASDJJ-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224338147	BYBXJNNNESEKIE-WDYNHAJCSA-N	495.696	6.295	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)n1-c1ccccc1	224385040	VYTIWEQHHFJKNP-SXOMAYOGSA-N	452.627	6.481	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(F)(F)F	225014445	FEGTXNZBFPIWNS-RPWUZVMVSA-N	484.591	6.423	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Br)cc1	408528129	CPYARCBXADAJTD-NVNXTCNLSA-N	470.797	5.179	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccccc2Br)cc1	408767065	VHRIDYFOIRGDAT-HYARGMPZSA-N	493.357	5.309	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	408868318	LXELLFFLKYNPAM-MYKKPKGFSA-N	495.406	6.587	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1	408984410	QQIGGUCMTIYEJM-IWIPYMOSSA-N	490.003	6.065	10	40	JKCB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\c1c(C)nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	409001697	QNLFWJPYYIPEMU-HMAPJEAMSA-N	496.483	5.265	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1	409113127	GOQWKBUDQCKLLM-OEAKJJBVSA-N	493.560	5.307	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)SC1=S	409123961	JJMOKMYCVLTFBO-KSEXSDGBSA-N	480.611	5.306	10	40	JKCB	
O=C1/C(=C\c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1	409180691	YQDMMVOGQORNNS-HYARGMPZSA-N	485.989	6.343	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409211604	MBDVOVSPRNVIRO-WQRHYEAKSA-N	476.457	6.279	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)cc1Cl	409253338	TZPZDFJJFWLJKA-GDNBJRDFSA-N	491.783	6.047	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC)c(OCC)c3)SC2=S)cc1	409330090	JNPLZCCMEHTUKS-CPNJWEJPSA-N	464.008	5.942	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409339951	NHAUPCISFSOEFD-NDENLUEZSA-N	458.530	6.519	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Br)cc1	1031521	OAFNLWWUNWOWLQ-VURPSTOHSA-N	490.397	5.642	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3Cc3cccc4ccccc34)C(=O)N=C2O)cc1Cl	2377718	AQYUHFCCJFIFJR-OEAKJJBVSA-N	469.928	5.522	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(OC(F)F)cc1	3308629	XZJWIDPVFFWGCE-GFCCVEGCSA-N	474.455	5.206	10	40	JKCB	
CCN(CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1cccs1	4748383	ARUQPJOIQVIMMV-HSZRJFAPSA-N	468.066	7.387	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	8821613	IPLXDPXAKQDCEU-DWKHYPNZSA-N	470.399	6.098	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cccc21	9090940	RQCPWUSCCBXOSV-UHFFFAOYSA-N	455.473	5.325	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)c1	9424937	ZOAZBAWXSKTUFY-RVPYRKDQSA-N	488.613	5.018	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC12CC3CC(CC(C3)C1)C2	12032223	MVAUHZPWKTTWQK-HMAPJEAMSA-N	468.688	5.533	10	40	JKCB	
Cc1cc(C2=NN=C(Nc3ccc(Cl)cc3Cl)SC2)c(C)n1-c1cccc(C(F)(F)F)c1	13114637	SEYWKRIMXKIYPX-UHFFFAOYSA-N	497.373	7.339	10	40	JKCB	
CN(c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	13668557	QBQWIRURHVSDTF-UHFFFAOYSA-N	498.048	5.085	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	13801448	WTIMGONATOKPFH-XWEQHKKKSA-N	466.349	6.558	10	40	JKCB	
O=C(c1ccccc1F)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15999327	BDTCVXJRLRWAQT-AWCRTANDSA-N	499.541	6.142	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c2ccccc2N1c1ccccc1	20059436	PKHVIVCXAZGYPG-VFCFBJKWSA-N	490.990	7.593	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	33869032	CTEROZYBCCUABJ-JCDBDMCGSA-N	487.551	6.168	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=S)N(C3CCCC3)C2=O)cc1C	36612565	RZQJLOCRMGQZLH-HYARGMPZSA-N	466.628	5.465	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)cc1	58845961	QRCDJEDVWWRQPK-CEYNDMKZSA-N	485.436	6.929	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OCc1ccccc1	83293485	RVCSFAOTEOTWDX-LPYMAVHISA-N	491.381	6.717	10	40	JKCB	
CC(C)n1nc(O)c2c(-c3ccc(Br)cc3)c3oc4c(O)c(O)ccc4c3nc21	95480004	AHTFGFBMALIJSD-UHFFFAOYSA-N	454.280	5.458	10	40	JKCB	
Oc1cccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCCCCC2)c1	95480249	UTFZXRXGUOGLCV-UHFFFAOYSA-N	459.502	6.106	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1cc(C(F)(F)F)ccc1Cl	96400899	WJJYXKVMJNNUGO-CXUHLZMHSA-N	488.915	5.728	10	40	JKCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1	103646659	CFXWQHJTWYLKQK-UCQKPKSFSA-N	484.943	5.163	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223727406	RJXQWXFZBCZUFG-RPBOFIJWSA-N	497.064	5.377	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1F	224897587	DPOIJDKSZRSZPV-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1F	224899291	YWMAYFOJGLRDGO-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc2c(c1)OCO2	225019190	QOKYLRJMAXTOFE-DQEYMECFSA-N	460.603	5.133	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020373	STRCSHYLOPPGRB-DQEYMECFSA-N	481.065	6.066	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(=O)OC)cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408531834	RWQYEIWQEGTBRN-ULJHMMPZSA-N	469.493	5.143	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408744316	XTFDXZLFEMCGGF-WOJGMQOQSA-N	474.425	5.594	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2sc3ccccc3c2Cl)cc1	408753658	BLKYOTPSVJWQSY-XSFVSMFZSA-N	462.933	6.537	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)c1	408802031	YDMAYSDFFOKXHH-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C	408805403	JTVKXRIXAPOIJC-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2	408819992	SLTHQIWOXMKERM-DEDYPNTBSA-N	493.679	5.776	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Br)cc2)N1c1ccc(F)cc1	408843285	RJHGFJNBZLYXMX-RGVLZGJSSA-N	490.159	6.730	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC	408895861	WDGAZNKCEWOFEH-ZHZULCJRSA-N	486.362	5.124	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1	408901279	CZBWBDGECGEWJZ-PXLXIMEGSA-N	462.596	5.677	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408901583	GPFQKYBMQDPZAC-BUVRLJJBSA-N	485.590	6.312	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1	409009465	AEXPZMWVXYLVLJ-PCLIKHOPSA-N	460.553	5.172	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)cc1Cl	409020825	UJFAMVGLSLANIJ-MHWRWJLKSA-N	474.731	5.412	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409023331	JZLKQROERBQPNR-DIBXZPPDSA-N	483.564	5.190	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409189726	SADMOVVQXFPCME-SSDVNMTOSA-N	470.356	5.502	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S	409205988	GMEDQHUHOLIQMO-FYJGNVAPSA-N	465.556	5.130	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O	409241520	OCJYDYDYARQCHF-XNTDXEJSSA-N	486.267	5.136	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C	409253137	YTZYCRGTOQGWHZ-CIAFOILYSA-N	497.542	5.561	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccncc4)c(OC)c3)SC2=S)cc1	409331682	OXCYBXIDOLPNPB-HMAPJEAMSA-N	464.568	5.084	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409339492	JALLQHRTILNSRP-YBEGLDIGSA-N	495.376	5.170	10	40	JKCB	
COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409344466	JSCXPAXAQAISMO-OVCLIPMQSA-N	468.781	5.295	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)SC1=S	409379296	VUWSPQFNMCWYON-BKUYFWCQSA-N	484.440	6.402	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCCC3)=NC2=O)cc1	2228364	VIJHGIRMTJVJOT-NCELDCMTSA-N	486.641	6.174	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9159937	SPOVGKIAWLCDPW-CORGUDEYSA-N	493.567	6.054	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	9293570	VKCKTRLQMCRICT-BIRLBKGPSA-N	469.570	5.079	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	9360159	IRMWWONYJGHRQL-KSZYVRDXSA-N	496.702	5.019	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C2=O)cc1	9432070	ORHKKGCWIBBNSZ-ZHTGWBIJSA-N	496.394	6.023	10	40	JKCB	
Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	13940538	IKXVZJBBFPMPGU-STZFKDTASA-N	483.351	5.221	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1	18193745	OTBVHAMMKSQCDL-NDENLUEZSA-N	469.906	5.989	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccc(Br)c3)C2=O)cc1	20288252	YAISRHNKGDGGDF-JWGURIENSA-N	462.347	5.595	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C(=O)N=C2SC=NN12	33457880	WKLRQDZYTVWHLW-KFQNLNRXSA-N	465.749	5.475	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	41077884	RVXILCOLKHBENZ-YIGXYTLDSA-N	487.560	5.299	10	40	JKCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2Cl)cc1	41108247	KCVBJUVFSLSIBL-ATASTKJTSA-N	499.979	6.172	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1	100270855	BAQPTMMQVHGJJA-LGUFXXKBSA-N	499.567	6.156	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C	108386430	JMGDGYWJORGQQQ-XKZIYDEJSA-N	492.421	5.895	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	223275265	YENDRQOHUXMGJO-NDEPHWFRSA-N	473.642	5.237	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223862367	DIWMJMKFLNCOTJ-BDYUSTAISA-N	468.626	5.989	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900187	XIITZLFOIRUVGI-URLMMPGGSA-N	495.696	6.349	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	260569867	SQDZHXOKVQYVBA-CXDFQFJYSA-N	465.594	5.158	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OCC	408724653	DFOGIWMGOHAJBV-UHFFFAOYSA-N	484.552	5.684	10	40	JKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3cccc4ccccc34)cc1)[C@H]1CC=C[C@@H]21	408736443	SYQXVJHQSGSYIO-NYULUDCUSA-N	472.415	8.552	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)C1=O	408775541	HZAHJTREMDCBOC-NCELDCMTSA-N	475.548	5.682	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)C2=O)c1	408801549	VPHXHFYDFAZNQN-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)cc1C	408802059	CMBYMSIDCVGHLX-SRZZPIQSSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2sc3ccccc3c2Cl)cc1	408843251	REVBWVNAKPEFMW-XMHGGMMESA-N	489.940	6.306	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(Cc2ccccc2F)ccc2ccccc12	408869658	SSDOTWRXGRHIFS-JWGURIENSA-N	468.459	5.375	10	40	JKCB	
Cc1ccc(COc2ccc(Br)cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	408903207	VPUQDKJBHZUKEJ-HYARGMPZSA-N	496.451	6.742	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@@H](C)CC	409345077	JRIFGLGQCCFAIH-FVUPAENESA-N	457.573	5.397	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1	2062462	PDIAPDGNSMDYLR-WSDLNYQXSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1-c1ccccc1	3282373	MGGGKNIFIPNVRC-CQSZACIVSA-N	465.764	6.238	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(OCCOc5ccccc5)cc4)C(=O)N=C3S2)cc1	3858720	VDFVYFOOJHJLPI-LQDCEUOMSA-N	482.565	5.120	10	40	JKCB	
COc1ccc(C2=C/C(=C/c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)C(=O)O2)cc1	6924875	LOTYLDFDXDBIHY-MYYYXRDXSA-N	464.517	6.417	10	40	JKCB	
CCCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	8819980	IXFIQSYYDULHBA-SILNSSARSA-N	465.637	5.199	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1OC	8821239	RJHLKDXHSJRQOS-MNDPQUGUSA-N	465.637	5.501	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1	9428618	GKQPHMURFYLFAS-XWCAUFEOSA-N	493.357	5.889	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	9849547	IBGMILLHRCDCDO-UCQKPKSFSA-N	492.578	5.897	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(Br)cc2[C@@H]2C=CC[C@H]21	12469842	VKZZRLANCOJLOD-SNUQEOBHSA-N	453.149	6.186	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	33417791	VQGUVZIDCMVJJU-XGCFFSCVSA-N	459.550	5.556	10	40	JKCB	
CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1	41108029	OTOSWYYAQDXQJH-BEHXWQCNSA-N	475.961	5.197	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)c1	83327695	BIVCUELDDQJQAU-UDWIEESQSA-N	461.315	5.321	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(N(C)C)cc1	101395137	VHJIRBUZPVSVFB-YKGWIAGDSA-N	465.597	6.713	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	107604097	JVXNRILTJYBZPI-PKAZHMFMSA-N	497.982	5.788	10	40	JKCB	
C/C(NCCSc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112297110	JLVIRBMMXRHJJN-QJOMJCCJSA-N	465.981	5.886	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S)c1ccc(Cl)cc1	206906132	UEOPWHKKNIJCOK-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223539901	VNXSJTZQKHPLQR-PVFDWLMNSA-N	477.630	5.782	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	223762364	VCWYBVYDCNVIOC-FTJBHMTQSA-N	498.608	5.373	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(=O)O	223860066	PTPRYTRCYIDKCD-RPBOFIJWSA-N	484.581	5.070	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(C(=O)O)c1	223860352	LWFJHKURSNVXKH-LOSJGSFVSA-N	484.581	5.070	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224237209	OWFCXQZCORVUQW-UIOOFZCWSA-N	482.609	5.673	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1C(=O)O	224434874	BRJQNRJMWBZUMU-DQEYMECFSA-N	486.572	5.504	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224529871	YUAQOWDMXQXJSL-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1	224804991	LZLYJASTMILWBF-VSGBNLITSA-N	498.652	5.992	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1Br	408600976	HYQGIMDORNVECH-ZDLGFXPLSA-N	466.397	6.029	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c1	408738463	XUMWIQSWNSNJQU-OQKWZONESA-N	478.504	6.725	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Sc2ccc(Cl)cc2)C1=O	409230753	GCNGEGAJLKJGND-AQTBWJFISA-N	483.376	6.119	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O	409362895	TWZOXJIAZYFJNM-LFVJCYFKSA-N	471.582	5.423	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1OC(F)F	409365505	ZZNOVKPAMDOQPX-MFOYZWKCSA-N	471.934	5.755	10	40	JKCB	
CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(O)cc2c(c1O)CN(CCCC(=O)O)C2=O	1772591609	HZSJRESYAUBLKV-OPBVARBZSA-N	471.594	5.716	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	2200627	MLUMEEHVMWGZAF-HKWRFOASSA-N	495.695	5.936	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1	2303730	PLRDXOMSGBIVFU-GIJQJNRQSA-N	499.872	6.575	10	40	JKCB	
CC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820495	SMKVWEJFTOSXAH-VDBQTFPSSA-N	450.585	5.066	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1	9111528	KAPZRWCMEXCNBE-HZHRSRAPSA-N	488.012	5.124	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S	9233868	OBOCBYFERCAYNF-LICLKQGHSA-N	452.370	5.388	10	40	JKCB	
CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	9670523	XBBQLTGWELHZLM-UHFFFAOYSA-N	462.885	5.074	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)N=C3O)c2C)cc1	13689410	OKUFTHXQPWKROZ-BKUYFWCQSA-N	477.948	5.825	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCCOc3ccccc3Cl)c2)SC(=S)N1Cc1ccccc1	13893444	NSOTUVIGXCZIHX-ULJHMMPZSA-N	496.053	6.589	10	40	JKCB	
COc1ccccc1CN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20287783	DXYVHTVUJKPUKI-QJOMJCCJSA-N	454.555	5.120	10	40	JKCB	
COc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc2ccccc12	32111831	IXNGYNSBJJNPPE-CIAFOILYSA-N	466.946	5.187	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(/N=N/c5ccccc5)cc4)C3=O)n2)cc1	100510824	PNSAIINCPMVJIU-HVPSWFSLSA-N	495.568	7.109	10	40	JKCB	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)CCN4C(=O)[C@@H]5CCCC[C@H]5C4=O)n3)c2C)cc1	103047657	KJLKEHYEXAXXSA-NHCUHLMSSA-N	490.629	5.030	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2Cl)cc1	103922297	APLHEIUKCUTCBE-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106691102	OVWIDVXIPNDUBU-FBHDLOMBSA-N	475.372	6.777	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1	208308078	QGCQDQCXNZVVDU-HRKXOBMBSA-N	461.631	5.192	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21	208453981	IBWLTCRDBJSBJJ-VCHYOVAHSA-N	484.383	5.600	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222965972	AKUOFVUNMHIZOX-DHIUTWEWSA-N	483.479	6.024	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	222989272	KZGRMZSKUBZUBL-ZEQRLZLVSA-N	462.619	5.048	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1Cl	223271584	WGVJBIWWNZKCEJ-DHIUTWEWSA-N	488.488	5.330	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864311	LNHFXBGPQOFSBS-UIOOFZCWSA-N	498.608	5.378	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224532082	YSVWHRQNFZFANC-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020712	KUIBZQIAJYCNCR-BDYUSTAISA-N	458.675	6.275	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1C	408578517	YHUXXPZVCGDWGZ-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)NC1=S	408769377	SIHUYCOIAZUMDF-KGENOOAVSA-N	463.990	5.141	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccc(C)cc1	408776226	VOMGYSIVJYTKGQ-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@H]4C)C3=O)c2C)cc1C	408814515	VSERGCUIAJINKA-OIHSZKPTSA-N	498.716	7.765	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1C	408819658	ZYTQZMBHWRVPGH-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)cc2)C1=O	408878030	YZFKGXKMMNCSCE-JCMHNJIXSA-N	460.917	5.148	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)CC	408901404	FAJBLMHJUFHSPL-NFECSFHCSA-N	492.460	6.431	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409054969	OSWFJPRDHKDIKD-XYGWBWBKSA-N	454.570	5.584	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C	409107913	YBZVAABMGAXLFI-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
O=C1/C(=C\c2ccc(OCCOc3ccccc3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409178905	JYLDLDPBTMBUNZ-HYARGMPZSA-N	485.989	6.343	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)c2ccccc21	409196918	SEISQESCMGCAML-JJIBRWJFSA-N	456.973	6.589	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1	409215085	ZPAOOVJVFBBGKJ-XDHOZWIPSA-N	465.512	5.197	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1C	409240620	LNCMHNSUUUFIOA-WSDLNYQXSA-N	478.017	5.504	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S)c1ccc(Cl)cc1	409341318	BEWQZCJAPQPICL-WQRHYEAKSA-N	458.923	5.285	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(-c5cc(Cl)cc(Cl)c5)o4)C(=O)N=C3S2)cc1	9057109	ZUURJKRRWQFYPE-YIYGAGSKSA-N	481.364	6.229	10	40	JKCB	
CCOc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O	15946260	BNXSZPWAZQUQML-FKIZINRSSA-N	493.467	6.585	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1C[C@H]1CCCO1	19880525	CJZRPESTCOSZEY-DISPHTKASA-N	450.379	5.089	10	40	JKCB	
CCOC(=O)c1c(CSc2ccc(C)cc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12	19898162	VLSGAOYACVQQIC-UHFFFAOYSA-N	491.451	5.485	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)c(CN3CCC[C@@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2O)C1	20113158	XSJQHACBDRANOR-WOJBJXKFSA-N	476.617	5.335	10	40	JKCB	biogenic
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S	35040898	OQBRQJFJHRKRNO-OBGWFSINSA-N	450.582	5.392	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/SC(N4CCN(c5ccccc5F)CC4)=NC3=O)c2)cc1	35042664	AQEDVRCAMYCZCM-NLRVBDNBSA-N	487.600	5.506	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3c(C)n(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1	41083437	LZJHZEMCKAMLFY-PAMLCIOASA-N	455.587	5.726	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C	208226618	GMGWDRWOKJPMIO-YSUUHWHMSA-N	481.593	5.531	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	223309357	XEDXPUZUWVOZRF-ZTCOLXNVSA-N	467.038	5.294	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223392620	KDKIQGZCCXAGML-DQEYMECFSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223757392	IDQDEBUUGKGSKR-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224533814	VHZWBBVOFOJHNV-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(Cl)c4C)c3C)N21	260788391	ZRSAENXUCIMWQQ-DKLXNKCPSA-N	451.039	6.430	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)cc1C	408852056	HJWLYNDFGXDXKL-WPWMEQJKSA-N	476.532	5.702	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1cc(C)cc(C)c1	408865027	BEYFPHHAHIEHEL-PXLXIMEGSA-N	488.971	5.613	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1C	409103784	YUFFKUADANUFOV-LPYMAVHISA-N	478.570	5.801	10	40	JKCB	
O=C1NC(=S)S/C1=C/c1ccc(OCc2ccc(Br)cc2Br)cc1	409186744	HIVKXJSSQGBPIW-VIZOYTHASA-N	485.222	5.279	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409211539	NUPBJLXAMHSGGZ-WOJGMQOQSA-N	480.483	5.096	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S	409349999	WVDCPJFTTLCQKQ-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(O)=NC2=S)c(OC)c1	661700	ZGKVVYVEEOUDNJ-DEDYPNTBSA-N	467.591	5.299	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)cc1	9232611	SMXNZUBPGOSDBN-HZHRSRAPSA-N	464.587	5.877	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCc3ccccc32)cc1OC	13099092	XGBOYYATMSOHAE-BMRADRMJSA-N	465.553	5.549	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)c1	13549658	XVICOOHETOWQRD-JAIQZWGSSA-N	482.367	6.524	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1Cl	13688843	HCTWRARSXGPDLD-WJDWOHSUSA-N	489.336	5.413	10	40	JKCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)C[C@@H](C)O1	16735684	SMFDACZXJAVNJF-CYLBCFLHSA-N	484.581	5.365	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Br)c1OCc1ccccc1	34696606	ZJJXXCZZUYROSC-UNOMPAQXSA-N	483.749	5.143	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12	54360618	UPDDQMYDNYNVBK-BKUYFWCQSA-N	484.046	5.162	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3c(O)ccc4ccccc34)C(=O)N(c3ccc(C)cc3)C2=S)cc1	59484943	ZNZYQHXZMLZENL-UHFFFAOYSA-N	478.573	5.911	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCCOc1cccc(Br)c1	70453917	DXJSFUIDVFAACQ-UHFFFAOYSA-N	491.385	6.605	10	40	JKCB	
CC(=O)N(c1nc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1cccc(C)c1C	96663342	XZONAQMBAAQGOU-CIAFOILYSA-N	462.600	5.835	10	40	JKCB	
CN(C)c1ccc([C@@H]2Nc3cc(C(=O)c4ccccc4)ccc3N=C3CC(C)(C)CC(O)=C32)cc1	104159417	SKFUFJKVFNJXTC-NDEPHWFRSA-N	465.597	6.855	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	113838575	WLYLPXNXPXNEFS-AWQFTUOYSA-N	493.868	7.460	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351869	RIFSVRUHTXZYKE-RPBOFIJWSA-N	477.033	6.217	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223582343	PCPGVPNNIFCVHP-GKXUUXLPSA-N	465.981	5.427	10	40	JKCB	
Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	408643391	ARJJTKFGHSZRMZ-UHFFFAOYSA-N	450.844	5.562	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Br)c1	408756521	SOEOYIRFSUSIFN-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)c1	408762545	PBUWPCOHSJXBLH-FYJGNVAPSA-N	451.295	5.431	10	40	JKCB	
CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O	408829673	XHSKNPBGIFJHHM-CJLVFECKSA-N	490.943	5.374	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2Cc2ccccc2Cl)C1=O	408869044	RAGYLDKTYYOOPL-JWGURIENSA-N	474.944	5.168	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1	408870149	VHBDGWKDPWZBSE-MOSHPQCFSA-N	483.376	5.404	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)cc1	409037394	CELUIPBUBWXOFA-WOJGMQOQSA-N	473.445	6.158	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409055780	BCDCDSGQCVGJSA-OYKKKHCWSA-N	489.015	6.550	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1cccc(C)c1	409102511	ASJYMEZOJZYBAS-YDZHTSKRSA-N	491.590	5.687	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)NCc1cccs1	409124717	CFSDPKAWDGSBIG-NHDPSOOVSA-N	493.635	5.014	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1F	409248165	GNETUJFSJULQMD-KGENOOAVSA-N	461.562	5.188	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S)c1cccs1	409344295	IKZMIYPGBBCNGB-CXUHLZMHSA-N	481.407	5.861	10	40	JKCB	
O=C(O)[C@H](SC(=S)c1ccc(C(=S)S[C@@H](C(=O)O)c2ccccc2)cc1)c1ccccc1	1620471	NILKISQEGXTVHI-WOJBJXKFSA-N	498.672	6.156	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1	1786265	LSUMCSVVLNTYCJ-XYGWBWBKSA-N	497.645	6.258	10	40	JKCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	2410072	QSPDQQGKFJAHQB-RLAHSPSWSA-N	464.403	5.341	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CC[C@@H](C)C5)c2C)cc1C	2679264	ZYZOLAODYJQGLL-OAHLLOKOSA-N	475.683	6.815	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)n1-c1ccc(OC(F)F)cc1	3373038	FITDGZSTTFVPCY-UHFFFAOYSA-N	450.441	5.283	10	40	JKCB	
Cc1cc(C(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)n1-c1cccc(C(F)(F)F)c1	3379841	ZTVNJXNJIRXGTR-UHFFFAOYSA-N	481.470	5.970	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4scc(-c5ccccc5)c34)c2C)cc1	3442856	FPYRFSWIPRNBDB-UHFFFAOYSA-N	485.634	6.749	10	40	JKCB	
CCCCN(CCCCS(=O)(=O)O)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1	5125337	XEVGFGTUNZOIJT-WCWDXBQESA-N	458.411	6.683	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	9296261	DDFHZFZFMAFOHF-IWEBCOIVSA-N	463.983	5.438	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1Cl	9424855	MHRYRUSQFGKDPJ-JAIQZWGSSA-N	468.340	5.376	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1	9477474	MFZIPPVXDOBBAI-WZGIJCTISA-N	471.557	5.283	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1	9659799	WEXNNARZVBGATL-ZDLGFXPLSA-N	465.358	5.078	10	40	JKCB	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	9763598	XYHKYEBAJQBIPV-XEKQOVJPSA-N	455.179	6.600	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)SC2=S)cc1	16292274	MIGXSTMSPPABIH-QRVIBDJDSA-N	484.017	6.768	10	40	JKCB	
CCN(CC)c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(OCc2ccc(Cl)cc2)c1	18193937	VSCRSTJWXNQWFU-MFKUBSTISA-N	490.028	5.536	10	40	JKCB	
Cc1ccccc1OCCCOc1ccc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1	33446875	LJIPNAMERHQGLD-FMZUZOLDSA-N	488.491	5.024	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3cccc(Br)c3)N4)sc2c1	58851157	FSBROZYSGZMFJL-RNHFSVANSA-N	473.439	7.861	10	40	JKCB	
Cc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	65297945	MEAKFKBZOWYORL-AREMUKBSSA-N	460.021	5.870	10	40	JKCB	biogenic
O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1	83297159	NFHRTHPKYCIXRL-CPNJWEJPSA-N	467.308	6.079	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113834494	DVIPBEICIVECTK-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223464948	CQRPZYPHHUEIDL-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223536562	KWLFRIXOHSQFIW-SLDJAQPHSA-N	451.954	5.119	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	224193516	RBUNBQQJHZBOHJ-UIOOFZCWSA-N	454.643	6.199	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1	224402231	CYHLMMMZGJABEC-RRPNLBNLSA-N	485.632	5.871	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(F)c1	224602729	WTRWVYLFCZJSHL-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(Cl)c1	408810749	JMUQAQMAACMNIX-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1cccc(C)c1	408868021	NEIIJMBNZSHAPW-KQWNVCNZSA-N	484.552	5.202	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1	409105810	OXOPQAFARODBNG-SRZZPIQSSA-N	478.526	5.213	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc2c(c1)OCO2	409327566	KVSKITKSLJNPDU-SSDVNMTOSA-N	481.982	6.054	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)SC2=S)cc1C	409327986	OTDZXBCAGBAHCC-ODLFYWEKSA-N	462.434	6.259	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)cc1	409344649	HXLAMMCEQWTVDV-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(Br)c1	638397	HBDFHHCATOBIQQ-YVLHZVERSA-N	466.253	5.345	10	40	JKCB	
CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(N(CC)CC)cc4)c(=O)n3n2)cc1	3649163	GQHGUGOEHHTSKK-CLCOLTQESA-N	476.646	5.171	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	9379643	AWGSQHPFBFJFMK-XPCWZZLQSA-N	487.599	6.546	10	40	JKCB	
C[C@H](Oc1ccc(/C=C2/C(=S)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)cc1)C(=O)O	16322461	SIUJHRGAGDUHKC-YWEFTTLKSA-N	465.314	5.153	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)cc1	33314272	GYNWWNQVDJSHBY-JCMHNJIXSA-N	470.481	5.033	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1	34847032	JYHYXHPAEDMGHK-NDENLUEZSA-N	489.811	7.308	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	58845892	IQIXOVNVSSDBIM-LZCXECNNSA-N	491.569	5.539	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58847557	JOLCLSWRFFTCTI-UZINWLIJSA-N	497.016	5.985	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(OC)c2)N3)c1	58848784	CVSOLXMFOQNZFC-PPJWLVRDSA-N	462.571	5.331	10	40	JKCB	
CC(C)n1nc(O)c2c(-c3ccc(OC(F)(F)F)cc3)c3oc4c(O)c(O)ccc4c3nc21	95473469	FXOJYHZKNBCVKB-UHFFFAOYSA-N	459.380	5.594	10	40	JKCB	
[O-]/[N+](=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1	105344365	YXKWNSIRFWVTOJ-JEIPZWNWSA-N	486.491	7.046	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351993	RIFSVRUHTXZYKE-DQEYMECFSA-N	477.033	6.217	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1F	223383558	DHWLPHOSQNJCHV-CLJLJLNGSA-N	456.590	5.801	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223419536	SBHLUDRLJXTBAN-WUFINQPMSA-N	482.653	5.979	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(OC)cc2)cc1	408758594	NKDTWJYGWAIHQC-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408803237	MUNZKAISDBMSJO-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1	408808616	QKFPXWBUFYOTOZ-WOJGMQOQSA-N	485.298	5.378	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cc2cccc(F)c2)ccc2ccccc12	408873883	WQTBCEQXQNLEMF-UQQQWYQISA-N	466.537	5.401	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O	408891515	RTHIIHJAAFFRON-MOSHPQCFSA-N	478.907	5.287	10	40	JKCB	
CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OC	408902942	SMZXVMNXWMLJIO-HTMJNSLASA-N	478.433	6.041	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)cc1Cl	408986066	LLYSDGADNXJXBZ-MTJSOVHGSA-N	461.949	5.339	10	40	JKCB	
Cc1c2ccccc2c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc12	408995669	DDEFPBCIKGYSLL-UHFFFAOYSA-N	498.607	7.050	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1CCc1ccccc1	409131737	JRNJJZLFHIMEOM-OOAXWGSJSA-N	498.673	6.554	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(Br)c2ccccc12	409133248	PNBZJVAYTYMVKN-NDENLUEZSA-N	454.393	5.039	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1	409147923	WPOCNOGRBQAZMB-VBHHZLGVSA-N	487.021	5.862	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1	409330176	KAPVBERPVZGVPI-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)cc1	409335054	YNIRAVRUFBLYIP-NVMNQCDNSA-N	458.406	5.402	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)N(c3ccccc3)C2=S)cc1	711814	IRJGRFYBSHLIPW-RCCKNPSSSA-N	477.383	5.506	10	40	JKCB	
S=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(Cl)cc2)CC1	1438309	DBZASBOAOKONGB-UHFFFAOYSA-N	451.806	6.405	10	40	JKCB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	2093277	QALDLSPUJPGXGX-HMAPJEAMSA-N	478.620	6.456	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8821446	SMYOUYRKKMZKOQ-XDHOZWIPSA-N	489.405	5.729	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9293310	YFAQUBVEBMOEIZ-KCHLEUMXSA-N	496.006	6.486	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9293411	PLUJEVVKUOEJCA-BRKMNUETSA-N	484.368	5.661	10	40	JKCB	
CCN1CCN([C@@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1	21486904	PYNLPDWSPAICBQ-SANMLTNESA-N	451.699	5.780	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(C2CCCCC2)cc1	24495027	VEGJQRZJMSUPTF-OVVQPSECSA-N	481.596	6.644	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1C	58846516	UWFJOXVUWGUKEP-PPJWLVRDSA-N	465.018	6.584	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1	58848567	KKJJENAFEWPPPQ-UZINWLIJSA-N	464.562	5.852	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	108985731	CLJJUAYQUMGFGO-WOJGMQOQSA-N	478.401	5.060	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2[C@H](C)CC1(C)C	208307417	UDYQUDXXEGGZAL-ALDSOSFCSA-N	461.631	5.247	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)S2)cc1	208315908	TXJBJXWEUCMPHW-BEXDPUPVSA-N	463.647	6.588	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)nc1	223903609	OQKXPHCAGWWXER-SXOMAYOGSA-N	482.657	5.436	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223962595	BZNUQMAFAWQGRN-SVBPBHIXSA-N	497.668	5.849	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224334051	HPAYFXODJQUWIT-WUFINQPMSA-N	466.654	6.537	10	40	JKCB	
COC(=O)c1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	408735354	OGHNBUPMZNMGRO-UHFFFAOYSA-N	472.504	6.520	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)c(C)c3)C2=O)cc1Br	408737554	DEOFTUQCEUDMAF-CPNJWEJPSA-N	464.334	6.377	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1	408740112	IGZORIIXWNNMSU-ATVHPVEESA-N	471.296	5.319	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)S2)cc1	408775966	LEWLTJZAPPLKFH-DKOMQPSQSA-N	482.993	5.818	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(Cl)ccc4OC)NC3=O)c2C)cc1	408800138	KZPLZTIGHUTIQO-UHFFFAOYSA-N	468.986	5.528	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1	409047163	NEVFPQUEIKSLCD-LPYMAVHISA-N	451.353	6.687	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409056453	GSKWJQREVVVPAS-QQXSKIMKSA-N	472.560	6.234	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)NC1=S	409241115	RJHQSHCRDAFLEU-SFQUDFHCSA-N	471.028	5.692	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1Cl	1795112	MKQOAJWCATZKQU-MNAFEPAFSA-N	462.036	6.317	10	40	JKCB	
CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2264565	FYRSNNFWZQQEPS-CMVGPNDKSA-N	465.578	6.206	10	40	JKCB	
CCCCCCN1/C(=C\C=C\c2sc3ccccc3[n+]2CCCCCC)Sc2ccccc21	2572347	JLASFSWVPRDVNS-UHFFFAOYSA-N	477.763	8.816	10	40	JKCB	
COCCN1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	2829637	UAYHGPVQAURMGO-ZPGCQJFOSA-N	486.442	5.031	10	40	JKCB	
O=C(c1ccc(Cl)cc1)c1ccccc1Nc1cc(-c2ccc(Cl)cc2)c2ccccc2n1	8426537	HRUPBGDFKCOMSO-UHFFFAOYSA-N	469.371	8.183	10	40	JKCB	
Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)ccc1Cl	8495015	WWDNHSAIJDEYBB-ICALIKLASA-N	497.020	5.771	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	8817460	CCEGIFPBMCJYON-IYYHIDBJSA-N	485.613	5.756	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3c(ccc4ccccc34)N12	9090046	YQABZEKEFAZJFG-MPFGFTFXSA-N	469.540	5.862	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1ccc(C(=O)O)cc1	10130268	IUIZJTXVTYRDSU-STZFKDTASA-N	483.611	5.312	10	40	JKCB	
Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	13025251	UOANAEXQPYYQHS-AREMUKBSSA-N	459.590	5.409	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC(=S)N1CCc1ccccc1	13775557	AAGKSTPVBQQTEC-DEDYPNTBSA-N	460.407	6.697	10	40	JKCB	
Cc1ccc(C)c(OCCOc2cccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2)c1	27549600	USNVXZQIGBLYSK-QGNOBFDASA-N	476.602	5.427	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S)c1ccccc1	40939894	LUJGMCNGBOVHCV-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	41083064	SOWGUIACBXTZFU-ZKZDLDBDSA-N	468.026	6.255	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58848196	JCNMQDJTEBJMLM-XXAUWVGASA-N	479.045	6.893	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)c1C	59104871	LDQUWWGIWSJHLD-BUVRLJJBSA-N	455.558	6.089	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	59418060	XHXWXIOWZKTBAQ-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)cc1	59536426	QJHGVDXUXZADDL-HAHDFKILSA-N	465.571	6.209	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)cc1	59860500	RLIOTCGZAPQMTE-LDADJPATSA-N	473.323	5.142	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OC(=O)c2cccs2)cc1	100184740	VQIXYWDSQPXGCC-CPNJWEJPSA-N	467.344	5.536	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)S2)cc1	107913296	PTXCJXBVJZEQPJ-BKUYFWCQSA-N	469.393	6.963	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	223759696	UZFIPXAQEGDYLS-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(O)cc1	224369028	KNFPKADHNJEORA-IZLXSDGUSA-N	482.653	6.495	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1F	224399067	SCPIZZVCBOBMGL-JWQCQUIFSA-N	460.553	5.944	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	224422567	ABEISFDBUVNGAZ-JWQCQUIFSA-N	493.051	6.683	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225031727	XOCSJPJSHKHCFS-LOSJGSFVSA-N	474.630	5.191	10	40	JKCB	
Clc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc4ccccc4c3)cc1)[C@H]1CC=C[C@@H]21	408736109	FOMVKNRGQZXMRZ-NYULUDCUSA-N	472.415	8.552	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)c1	408759357	CRNGLJKOGHLGPA-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccccc3)C2=O)cc1	408762768	GFHAJVJLSMPIOP-RCCKNPSSSA-N	461.315	5.070	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)S2)cc1	408782319	HIESRFGFILTQDA-YNMQQHPQSA-N	453.611	6.409	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Br)cc2)cc1	408845794	RRKWXBWRDXKPGW-XSFVSMFZSA-N	462.303	5.500	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)cc1C	408881935	LCJMYSSODRDZSR-QRVIBDJDSA-N	477.561	5.525	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(F)c1	408885581	CGSJSJZWTMQIET-CIAFOILYSA-N	494.906	5.123	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)C1=O	408937840	PHSDLLZFSQNDKC-MTJSOVHGSA-N	481.335	5.547	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4C)C3=O)o2)cc1	408984353	HGTIQTOAZGEIDD-HKOYGPOVSA-N	461.517	6.513	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409009251	CKRYYIOQUWKMBA-OYKKKHCWSA-N	460.961	5.620	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OCC(C)C	409029710	AMURFCFKRTXLAD-LFYBBSHMSA-N	488.840	5.885	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC1=S	409131525	JQPWYWPIQHLDEH-XKZIYDEJSA-N	454.592	5.717	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)c2ccccc21	409196214	NYVJSNTXOOJXCI-TURZUDJPSA-N	464.565	6.802	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	409197378	DDPVCEAOEGZTQH-FYJGNVAPSA-N	455.004	5.875	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)c1	409244986	LRIKLOCAAWYJRD-ODLFYWEKSA-N	498.435	5.849	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O	409249087	SBLQYRILFTYTJA-CJLVFECKSA-N	471.557	5.030	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC(C)C	409327730	LZPRMYORDPWBHE-GRSHGNNSSA-N	468.427	6.585	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)SC1=S	409338165	FBUWRIBWNMCVCY-CIAFOILYSA-N	466.540	5.886	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c1	8819669	NNGGRMDGOBHGDH-PGMHBOJBSA-N	452.645	6.012	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)SC2=S)cc1C	9187034	VUVRZMMTEFRDHH-RGVLZGJSSA-N	469.971	6.321	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1Cc1ccc2c(c1)OCO2	9188375	ZFAMCLVWFFGDMY-QRVIBDJDSA-N	461.564	5.396	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1Cl	9477617	NMMYKJRRBCBJGX-BKUYFWCQSA-N	485.927	5.018	10	40	JKCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	10113594	WZXQQVWLGXSVCT-GDLZYMKVSA-N	485.653	5.034	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	13063207	MMMLRVFPRRAVOJ-UCQKPKSFSA-N	475.526	5.573	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1	13801685	OROKPJLKUBUDPE-BOPFTXTBSA-N	475.378	5.569	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1	19117716	XLAYHUNBPNLAHI-UDWIEESQSA-N	451.525	5.055	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S	26965980	AQGQOFKYTLVNAA-BOPFTXTBSA-N	456.390	5.133	10	40	JKCB	
CCc1cc(C)cc(OCCOc2cccc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2)c1	27527821	CMSOAKMWAYQXNX-ITYLOYPMSA-N	484.552	5.830	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N=C2SC=C(c3ccccc3)N12	41076659	VCRXDEPRDVLQCE-WGTHBTLJSA-N	487.584	6.723	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)O	100147721	QKNOXQBHHBFRFU-VGOFMYFVSA-N	484.133	5.025	10	40	JKCB	
CN(CN(C)/N=N\c1ccc(Br)cc1)CN(C)/N=N/c1ccc(Br)cc1	104239792	BIGWGIVXMICKSC-KEEJTVGESA-N	483.212	5.620	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc21	208467950	RATXDDMNYKGWOS-JJFYIABZSA-N	496.032	5.955	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1	223097147	GKWXRSLLOBBYGA-JWQCQUIFSA-N	465.066	6.448	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1ccc(Cl)cc1	223309636	QLZVUKYWGVHUIH-NKKJXINNSA-N	467.038	5.294	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	223610514	WSBHSKKRAAILHJ-WWJLXRQJSA-N	489.685	5.889	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224299275	YDYKDEWJQCEKQP-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1F	224399203	SCPIZZVCBOBMGL-DQEYMECFSA-N	460.553	5.944	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(F)c2)c1C	224566570	KPNHXPVLZBHVQY-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260924259	SUIWYWGLAHFKEP-NIJXNBFTSA-N	481.065	5.602	10	40	JKCB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)cc1	408670339	ZLSKKVKUZXTIDB-UHFFFAOYSA-N	496.563	6.231	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)S1	408800656	QKIMUFPSTIFWFK-UHFFFAOYSA-N	489.020	6.672	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC1=S	409040318	HRMWGTCCXGCDMQ-UWVJOHFNSA-N	486.873	7.083	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409074693	WUXZDDLBFUZBFS-FMCGGJTJSA-N	495.406	6.587	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=S)N(C)C4=O)c3C)cc2)cc1	409130774	WHYBDSBQXIGWHG-HMAPJEAMSA-N	450.585	5.726	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409137141	WMKBTVNVQQXERI-NLRVBDNBSA-N	458.627	6.887	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	409170316	UILUKSUQJVHRCM-UZINWLIJSA-N	463.002	7.675	10	40	JKCB	
CN(C)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)N(c3ccc(Br)cc3)C2=O)cc1	8453798	DUKSPIZILOFXOF-JCMHNJIXSA-N	491.345	5.258	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(Nc4cc(C(=O)O)ccc4C)=NC3=O)cc2)cc1	8821746	PYHDFOZASMRQFT-QRVIBDJDSA-N	458.539	5.663	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N=C2SC(Cc3ccccc3)=NN12	9113714	XKUHPSYTPHTRLB-JTTMBOACSA-N	493.567	5.691	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)SC2=S)cc1C	9232332	ACFGEIIQIHILNE-OEAKJJBVSA-N	466.027	6.942	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Br)cc2)c1O	13575908	GTEJTEHAAKUREK-ODLFYWEKSA-N	471.742	5.108	10	40	JKCB	
COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1	16000875	UZCBOFZEMOLVPC-NXCFDTQHSA-N	483.951	5.371	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	16160943	AZNFXINONBGXDA-BOPFTXTBSA-N	465.258	7.078	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)cc1C	17045737	NAMVIWBWGQMAMT-LHFQHGSDSA-N	495.604	6.066	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)c(OC)c2)SC1=S	26967590	LUUMIZUKMPKEBE-DMXSWWCCSA-N	486.442	5.413	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1	58846344	GIGBWNVABFCYDU-ANSQWYIGSA-N	499.463	7.238	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58846745	QAAXGQWCNKSHOI-BXTSTYNKSA-N	458.627	6.746	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(F)c(Cl)c1	59135352	MJONPMXISIQQSC-VCHYOVAHSA-N	455.848	5.532	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Br)cc1	100525469	KXSMRKZNWAKPPJ-DUPNKOKHSA-N	485.323	5.356	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(Cl)cc1	223226468	TWUNRCCZWRCVIQ-ZEQRLZLVSA-N	468.070	5.067	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390982	ULUKQTSMIFONMK-RRPNLBNLSA-N	487.072	6.624	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900544	QLWDMDVQCLSLIM-FQLXRVMXSA-N	495.696	6.349	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)nc1	225349386	FWHBRRCEKIDQFA-VSGBNLITSA-N	497.668	6.157	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(F)cc2)cc1	408761015	BWKYNLJVADHXAJ-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
CN(C)c1ccc(-n2cccc2C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1	408953490	PYEVFZVKWXMPFE-UHFFFAOYSA-N	492.604	5.292	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409022881	VJFLKXJRCLEPRZ-XYGWBWBKSA-N	483.564	5.768	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	409023193	XQXHVVISDQGAST-YBEGLDIGSA-N	455.354	5.601	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Br)cc2)SC(=S)N1C[C@@H]1CCCO1	409081526	PTNPPEOCBFRVAG-HRVJUDJTSA-N	490.444	5.408	10	40	JKCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	409236603	TXLXOVCKCNOTTM-VCHYOVAHSA-N	483.815	5.583	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409327964	OHRYFCFMKKATQS-WQRHYEAKSA-N	487.356	6.023	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccccc1F	409349126	VAIXAPWAMRDQAS-SXGWCWSVSA-N	461.902	5.606	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409351405	UOXCKBYKRGLUFG-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
C[C@@H]1COc2ccccc2CCCCC2(CCN(Cc3cc(C(C)(C)C)ccc3O)CC2)C(=O)N1	643566940	LXNYKVNFHJEQSL-JOCHJYFZSA-N	478.677	5.582	10	40	JKCB	
COc1c(Br)cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1Br	669651	OQIXFDPLTJLDIZ-DHDCSXOGSA-N	467.182	5.590	10	40	JKCB	
COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)c1	2195610	KUMZZQHEKMYZEP-FYJGNVAPSA-N	475.570	5.091	10	40	JKCB	
CCCCC[C@H]1CCN2c3c1cc(C(=O)O)cc3[C@@H]1C=CC[C@@H]1[C@@H]2c1ccc(Br)cc1	4817549	SATVLVYEJAZVPV-JBLZDJPZSA-N	480.446	7.436	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2ccccc2)[C@H]3c2ccc(N(C)C)cc2)cc1	8431640	QCJQIOXMFRVBED-VXRUNTHOSA-N	478.640	6.255	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N(C3CCCCC3)C3CCCCC3)ccc21	8442745	QLKOCQXZUYVMIB-UHFFFAOYSA-N	451.588	5.118	10	40	JKCB	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1	8442876	ZMDYGYOOLFDXJL-HYARGMPZSA-N	458.470	5.016	10	40	JKCB	
CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)N=C2S1	8494850	WYWVEQBXQBIJRK-MASFNPCMSA-N	487.412	6.238	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc3c(c2)OCO3)cc1	8783183	JVVADJZDSMGGOB-BSFYZNLRSA-N	476.617	5.170	10	40	JKCB	biogenic,in-vitro
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1nc(-c2ccccc2)cs1	8819259	YLFCPJBKJBFZHN-LDADJPATSA-N	469.588	5.179	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1	8821763	FCMMWPCOIRAGMK-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc2ccccc12	9030126	HCGUMBFMYNYTMK-XSFVSMFZSA-N	497.439	5.832	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	9087737	PHWPQTSGZBHLSB-SDHOMARFSA-N	477.541	5.657	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c1	13750334	VWNJJJZHDNPLMX-KQWNVCNZSA-N	475.639	6.082	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	33317913	HDZQBEXQSWPGFG-NDENLUEZSA-N	451.529	5.477	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	33374811	MCEOKZQSOHRDST-KLUMOMIWSA-N	453.571	5.324	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c(C)c1	33880962	NMSMLEOGYCKDFD-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ncccc4c3)C2=O)cc1Br	34139110	UNBMRSVOFCZMOX-KGENOOAVSA-N	483.365	6.477	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)ccc1N1CCCC1	59104759	WVTAESUHXWSBRC-AQTBWJFISA-N	470.392	5.029	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)o3)C(=O)N(c3ccccc3)C2=S)cc1C	59138398	PAXXMNCUQGNBTQ-QJOMJCCJSA-N	471.582	5.245	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3Cl)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1	95536275	HHZPUKJKZPNIFM-LDADJPATSA-N	454.313	5.908	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)Nc1ccccc1	107823866	OQKYUYWUQBQKHA-JLPGSUDCSA-N	487.581	5.494	10	40	JKCB	
O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422901	XIMYQULNMAECQI-CAOOACKPSA-N	466.550	5.154	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Cl	223097008	AUIMYDNKIIUEEK-LOSJGSFVSA-N	465.066	6.448	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc21	223516066	YCXZPKWCPSXKIK-OEAKJJBVSA-N	471.601	5.689	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224220973	JFIBQJRCNHXPPS-RRPNLBNLSA-N	496.636	5.761	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224530153	KPGCJORRXRJFGA-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608038	BTKHLHLYVKMUDJ-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224845573	YCUWJWLKESPYFX-RRPNLBNLSA-N	499.640	5.387	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)cc1Cl	408813556	NLQLLRIZACPVKZ-YBFXNURJSA-N	481.335	5.547	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1Br	408983327	AZHDKHJWMJKURS-XQNSMLJCSA-N	488.425	7.443	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1	408984958	USTACMVTJRRUHR-MTJSOVHGSA-N	490.943	5.211	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)SC1=S	409038540	PCGUBYROMOKNPQ-NVMNQCDNSA-N	486.873	7.083	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(F)cc1	409144954	PQPZMDNJKZZARM-HAHDFKILSA-N	476.529	5.204	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)ccc(C(F)(F)F)c2[C@@H]2C=CC[C@H]21	409174074	LBCJHNGRKKZDGO-SEDUGSJDSA-N	458.705	6.956	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1	409196379	ZUPQILXWPBCUTR-LPYMAVHISA-N	450.991	6.914	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S)c1ccc(Cl)cc1	409327065	HISCBRNMWJSYQZ-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409340061	PSGYRDWLCIFMGW-BOPFTXTBSA-N	479.377	5.552	10	40	JKCB	
Cc1cc(C)c(O)c(CN2CCC[C@]3(C[C@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)c1	643550264	HESDZAGDBFOIJE-WNJJXGMVSA-N	497.079	5.472	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1	1186936	FCIQDJMYSYNNRW-UNOMPAQXSA-N	462.999	5.662	10	40	JKCB	
C[C@H]1CCCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CCC2=CCCCC2)C1	1340057	VJLHAUYSMNLMRC-IBGZPJMESA-N	458.071	6.445	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(SCCC)cc2)SC1=S	2257141	QVKOANROJNECMI-QJOMJCCJSA-N	493.723	7.043	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1Cl	2260373	DAIUBTVHUZDMDV-UNOMPAQXSA-N	455.992	5.422	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N/c2cccc(/C=C/c3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	6150548	RRVMYYAEPMQLSF-FAWDECEMSA-N	470.510	6.254	10	40	JKCB	
CCOC(=O)[C@H]1[C@H](c2ccccc2OCC)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9293440	SUMXYCURLOGNBG-GMQQYTKMSA-N	493.559	5.082	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C1c1ccccc1	9311304	HOPYIEKLTFSKKP-RCCKNPSSSA-N	472.371	8.033	10	40	JKCB	
Cc1cccc(S(=O)(=O)N(CC(=O)c2cc(C)n(-c3ccccc3)c2C)Cc2ccco2)c1	13039856	BACVLPIMBMDTJS-UHFFFAOYSA-N	462.571	5.069	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	17150205	PLKUHXSMZCFZFT-PKAZHMFMSA-N	484.596	5.987	10	40	JKCB	
CN(c1ccccc1)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	33441433	ZHIHTVUVMYSEBQ-STZFKDTASA-N	470.541	6.879	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)cc1	34792758	DJEGEXQRTZSTKU-MNAJPBKWSA-N	483.597	5.409	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]2CC[C@@]31C	35188573	LIBRFSNEVHBFKI-LIXRMSHNSA-N	494.701	6.262	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	41108231	BOAMVWPUHVQXKO-FDUAJKPBSA-N	477.952	5.554	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58846460	DHMNMOXWEYJIHI-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1cccc(Br)c1	59198336	DADRCWQXNGUGEM-GZTJUZNOSA-N	471.694	5.869	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1	85875885	ZYBMXNXYPWULJX-UHFFFAOYSA-N	475.501	5.225	10	40	JKCB	biogenic
Nc1cccc(C(=O)Nc2ccc3c(O)c(/N=N\c4ccccc4)c(S(=O)(=O)O)cc3c2)c1	104044289	BCVMGCIFYYEUCX-RQZHXJHFSA-N	462.487	5.042	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(Cl)ccc1O	222912088	FXUKQAYMCQEVPO-XZOQPEGZSA-N	455.027	5.477	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	223389659	BGTGHYKOOCDXNN-SXOMAYOGSA-N	482.609	5.391	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)cc21	224225915	DUMNGRJJBGRHIM-UIOOFZCWSA-N	454.643	6.199	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224300600	CUKKWNFCHZOVLD-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224341612	FGGUQYPYWBMHRV-RRPNLBNLSA-N	467.642	5.932	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408804268	WRUHOMBLGQWPDX-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	408846638	RBJSJGCSYNHOPH-GXDHUFHOSA-N	477.756	5.738	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)c1	408878565	BYOJZHYAFBAVKQ-YDZHTSKRSA-N	474.944	5.511	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C	408961617	TXTDZYRKWWYZTM-IWIPYMOSSA-N	487.625	5.948	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409051147	AQZIEZXXQNUKFM-MGKUZBKYSA-N	489.015	6.490	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409070905	NPCLNFQVOCOAOO-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1	409196717	WJHLCMQOZQFVAR-BWAHOGKJSA-N	499.611	5.422	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1	409338990	CXRLLIBXPDWQNH-NDENLUEZSA-N	452.513	5.578	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	409344495	JOAWXOWFUYAUCH-UUASQNMZSA-N	475.216	5.824	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O	409345339	LFKYHDSSBYRWKM-XDHOZWIPSA-N	462.434	6.261	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(OC(F)F)cc1	3309356	YPIMGPWAKZSDHD-UHFFFAOYSA-N	484.553	5.928	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(Cl)c(Cl)c1	8765626	CODUTKCCCKKOSV-SXGWCWSVSA-N	455.363	5.363	10	40	JKCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	13619087	CPYSTYJMMMCSAZ-GNHDSAMZSA-N	496.702	5.019	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	14009633	BFUAMRKZYDDCFJ-BWAHOGKJSA-N	458.602	5.966	10	40	JKCB	
COc1ccc(Cl)c2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21	14186361	JKVSPWFRFSQSPU-CZSZKKDXSA-N	452.381	7.408	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(OC)cc1)N1CCCC1)c(O)c1ccccc12	15441575	YTAUIKNYOQPLRM-VWLOTQADSA-N	459.542	5.971	10	40	JKCB	
O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S)NCCc1c[nH]c2ccc(Cl)cc12	54360656	ARDOCIQEWNKCOI-OCKHKDLRSA-N	490.437	5.035	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	58849642	SYWOMYAAJDRTRA-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CC(=O)N1c2ccccc2Sc2ccccc21	96022540	OCPMEICIUGNXPW-FYJGNVAPSA-N	495.050	6.371	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)c1	102687372	RDBFQXAQDLRTHE-NCELDCMTSA-N	486.641	6.174	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	222961185	PTIZTGDMSMBARF-KAYWLYCHSA-N	454.643	6.415	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1C	223101158	IYYHWGFYLLUNSV-KAYWLYCHSA-N	458.675	6.411	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223600545	QPMSOBJBRCTIGF-NEIHUHTASA-N	496.076	5.980	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224233539	UIACLLJXBGVJTH-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224304904	TVLHKTGRKQJNKW-WDYNHAJCSA-N	480.681	6.900	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(O)cc1	224401114	ZQNXOYMDFHQGDF-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1Cl	224432987	JVUOZTIJOKQRJD-DQEYMECFSA-N	477.008	6.459	10	40	JKCB	
CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl	260732935	DFKXWFCNACHSDT-IRXDYDNUSA-N	460.043	5.801	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Br)cc2)cc1	408845934	WUTSFFRXPJDSMB-KGENOOAVSA-N	461.315	5.290	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2cccc(F)c2)C1=O	408870429	DMWDGUHNPVCCRO-DEDYPNTBSA-N	483.326	5.698	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)NC2=S)c(C)c1	409134369	OADLXGJHZOSJKJ-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1C	409326628	CQALRLDBPXYTLU-RGVLZGJSSA-N	460.407	7.276	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)CC	409340115	QPESOLKAULGQOL-GNUZOCDUSA-N	491.034	5.462	10	40	JKCB	
COc1ccc(C2=C(C=C3SC(=S)NC3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC	2049274205	SQRVYQAWBZXHPY-DEOSSOPVSA-N	487.602	5.671	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1	1865354	BQYIEDPHPDPGDO-TTXXBLJHSA-N	450.629	5.788	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c1O	2277000	MSVQRQDUIPRIMZ-WGDIFIGCSA-N	452.620	5.894	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3)C2=O)cc1Br	8385880	VLVCDLCYBIJEPK-LDADJPATSA-N	466.762	6.582	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)c(Cl)c3)C2=O)c1	8819168	XNJWERMXMOFCTC-WQRHYEAKSA-N	464.971	5.108	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)c(OC)c1	8821380	XWFHKPMRAKMYJV-QRVIBDJDSA-N	498.025	6.342	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2)cc1	8916192	VVQUELCMYNAMBW-VOHAGXJVSA-N	454.570	6.464	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9280975	PZTMIMSJDDSCDW-QRPNVLAJSA-N	494.064	6.727	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	9292262	OEVLOINXXRHYPF-GRMHFLANSA-N	489.604	6.223	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1	9461732	KRCFSLMXFLJIJC-PAMLCIOASA-N	469.570	5.101	10	40	JKCB	
Cc1nc(COc2ccccc2C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)no1	9577606	XNJFMJBCDQBINI-ZQHSETAFSA-N	471.473	5.168	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1C1CCCCC1	13894010	ZMHRNLHLROMCQS-UCQKPKSFSA-N	477.611	6.132	10	40	JKCB	
CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	20028770	MZXVDNPPBAOOTI-QNEJGDQOSA-N	485.563	5.890	10	40	JKCB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	27015585	WBBGXCBHZZOJNF-WFENWIQFSA-N	486.014	5.339	10	40	JKCB	
Cc1ccc(SCCOc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)cc1	27830939	UEACZLRUJAQMLX-XQNSMLJCSA-N	492.984	6.326	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc2n1Cc1ccc(F)cc1	33417787	XPRMAPQKFNHCLR-DEIISRMLSA-N	459.550	5.412	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c1	35039941	LBYKIXKRNLVLMG-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	41076249	MGTJXYXOCIVBKH-NZAISQPBSA-N	483.597	5.355	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)ccc1OCc1ccccc1	59861549	FVCTUYKUAYSNBR-PXLXIMEGSA-N	470.525	5.788	10	40	JKCB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1cccc(Cl)c1	102765165	DWROTSDKPAMJAG-ZJOUEHCJSA-N	489.742	5.404	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223344104	KPMVSVBZXHTWTO-CLJLJLNGSA-N	456.615	5.817	10	40	JKCB	
CCOC(=O)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223649227	GYQOLFUOSGRDHT-SXOMAYOGSA-N	484.625	5.178	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223855915	YINNNJKZHDIDIK-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	224207321	MMOTZNKCTAMQGV-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224432211	FTLFLMTZOZWGIF-SVBPBHIXSA-N	470.617	6.368	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224531195	NNMBYFUYKWAJTH-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C	224564762	BPBMZFZMYOFJHD-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)[C@H](C)CC(C)(C)N2C	260573790	ZUVRZKVVEVIGNL-VYVDHXHBSA-N	461.631	5.165	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1cccc(Br)c1	408763478	FSASFCVFCFCSEF-VXLYETTFSA-N	481.733	5.666	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(Cl)c3)C2=O)c1C	408814585	VUCKRJCMTUOWPE-DEDYPNTBSA-N	460.917	5.202	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O	408879072	CKJFXSCCPYVGAE-DEDYPNTBSA-N	464.880	5.033	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OCCC)ccc4ccccc34)C2=O)cc1	408899739	QDDBQNRZTLBNRU-QJOMJCCJSA-N	458.514	5.084	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC	408969634	RFKDARFHCXZZCS-ZROIWOOFSA-N	469.257	5.205	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409058639	UKMFOPPDGZPVQS-OYKKKHCWSA-N	460.505	5.119	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc2n1Cc1ccccc1	409094800	GIIDUZKOXXGPKE-BUVRLJJBSA-N	484.602	6.102	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	409254940	YMWIGHWVPVIFCH-HZHRSRAPSA-N	493.053	6.446	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)cc2)c1	409335138	YZBKZWDZTWBDKN-HZHRSRAPSA-N	474.607	5.727	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O	409338347	IFUKQOBTMJFGAE-ZDLGFXPLSA-N	467.490	5.435	10	40	JKCB	
Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccco3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2	8918092	UFSZZGRXTSJSBX-OZNIXHKMSA-N	485.539	5.904	10	40	JKCB	biogenic
CC[C@@H](C1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1)c1ccccc1	9057238	DXSGHFVUZGQKDJ-HSTCNOFJSA-N	459.358	5.512	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc12	9233642	OKYRADSAXNDYLJ-YBFXNURJSA-N	456.386	6.017	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12	9553756	PUFDVLPHPSMEGR-LUDXIHEXSA-N	482.846	5.240	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc32)cc1	22418970	VBPHEIOLVMCYBA-XMMPIXPASA-N	469.416	5.985	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	40567442	VUFFAYZFIFCMNN-SLVCOGOPSA-N	488.439	5.661	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cccc(Cl)c1Cl	59135334	SPIFXSIIIIBNLN-GZTJUZNOSA-N	472.303	6.047	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc21	223509111	CMJITEXRZMULPT-HYARGMPZSA-N	459.615	5.237	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224208875	ZRBPQWNPGWNIBU-FTJBHMTQSA-N	453.615	5.678	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224398768	PEXXMOXIYWVHLQ-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C)cc1	408935759	DQFIXCKDNQLJCR-OEAKJJBVSA-N	488.971	6.068	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C(=O)/C1=C/c1c(O)ccc2ccccc12	408937245	NODWNVAXFQRFMP-HZHRSRAPSA-N	498.922	5.444	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)ccc1Br	409066308	KZYOLNOZEBNRJS-SRZZPIQSSA-N	484.781	5.916	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1C	409238066	YYGUPPDUUQZHLD-FYJGNVAPSA-N	497.542	5.507	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)SC2=S)cc1	409339698	KTTAIZMLCSPBAP-LFVJCYFKSA-N	461.608	6.379	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	409340702	AKHIBMZOENUYKD-ZDLGFXPLSA-N	469.858	5.237	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1OC	409349699	VYPRGTGFNGDDQY-YBEGLDIGSA-N	497.379	5.023	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1	409363739	UUAPDQWJNINLJT-KEBDBYFISA-N	465.402	6.085	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C2=O)cc1	634909	IJKNNMOYPFGRDC-HAHDFKILSA-N	466.497	5.158	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(O)=NC2=S)c1C	664762	SNSMLCJGMOMCLT-CPNJWEJPSA-N	469.488	5.785	10	40	JKCB	
COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(OCc3ccccc3)cc2)C4)cc1	2116571	GQPZCKVSOGPQLO-UHFFFAOYSA-N	491.543	6.404	10	40	JKCB	biogenic
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(Nc4cccc(C)c4)s3)c2C)cc1	2617184	QOGOWBCNFIDSKB-UHFFFAOYSA-N	492.626	5.759	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1	8496000	YMXBQXBKTDKBTC-WTPQPOPRSA-N	491.613	5.617	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	8819755	MTIJDXDTKBNFCV-JWGURIENSA-N	466.672	6.321	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(C(=O)O)cc1	8820159	XKGYTCIAKRTVEH-RGEXLXHISA-N	489.018	5.439	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)s1	8820586	SXAYZPRDKLYPHP-BEQKSFQUSA-N	486.688	5.447	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)N3c4ccccc4Sc4ccccc43)C2=O)c1	8871614	SSZLZMAPXWXPTD-HMAPJEAMSA-N	490.631	5.726	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	9076550	BLHJMKZBHBWGBH-NAHYFOQLSA-N	455.558	5.582	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c(C)c1	9291842	TYSBHRVCSSDNRJ-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1	13811016	BEGYDUAPPQWLRO-DTNFBPRUSA-N	456.571	5.504	10	40	JKCB	
C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Br)c2O)N3)C1	15947456	CKOTZNITJSGSJB-ZIDLFYJRSA-N	472.202	5.532	10	40	JKCB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	16699718	YCJQUCRFGHXRPO-DVKBPIKUSA-N	487.602	5.715	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccccc23)cc1	20288679	VJMOAVJYSWYOSP-DIBXZPPDSA-N	480.568	5.042	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1	35043072	UEVYKTQTIFVJGX-NDENLUEZSA-N	453.907	6.153	10	40	JKCB	
O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1	58846975	RSFWEGDFXWUDFZ-SRGWNRLKSA-N	499.951	6.015	10	40	JKCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F	100318316	RQDRMXIYSQZCGS-CJLVFECKSA-N	493.376	6.754	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Br)cc1	169616523	OAFNLWWUNWOWLQ-FMWKFLBASA-N	490.397	5.642	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224205526	HWZNFBDLZPZXKL-NSOVKSMOSA-N	481.669	6.041	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	224207462	MMOTZNKCTAMQGV-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224837146	MPNCCTMYCUYMPT-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1	225432454	ZMWHDIUIJFMGPV-UHFFFAOYSA-N	493.673	5.046	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1	408529913	KMFBLWRTNNIGLI-IWIPYMOSSA-N	471.557	5.277	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1	408894904	JSCNJAOEQQSCBE-HYARGMPZSA-N	494.906	5.123	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccc(F)cc3)c12	409125296	LRCWQPVUDWOROS-UUYOSTAYSA-N	452.620	6.248	10	40	JKCB	
COc1ccc(CN2C(=O)[C@H](Cc3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	409159949	CRYFCNSGUYEKJH-QHCPKHFHSA-N	484.042	5.899	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	409239377	PSHJHOACPZZDFV-YZSQISJMSA-N	499.680	6.346	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2ccc(Br)cc2)N[C@H]1c1ccc(N(C)C)cc1	409333488	HQCJTVFHNKVDAH-NRFANRHFSA-N	488.451	5.286	10	40	JKCB	
O=C(O)CC/C(=C1/C=C(c2ccc(Br)cc2)NC1=O)c1ccc(Br)cc1	2311300	ZXEDUWIJGYMRNB-WUKNDPDISA-N	477.152	5.001	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cccc(Cl)c1	2512761	OQXSJOQECMUCBS-LJQANCHMSA-N	476.801	7.473	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	3769182	VLEREEHEQFOMAP-LDADJPATSA-N	493.448	5.328	10	40	JKCB	
O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1	7001355	BGQQLXKKOPFXIL-UDWIEESQSA-N	499.375	6.353	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1Cc1ccccc1	9210684	ANRRAAWAZGTHTF-HMCBYUHISA-N	473.989	5.474	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c(C)c1	9290823	QWHRZCAQZLBSCN-OAXZUEFOSA-N	471.561	5.518	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1[N+](=O)[O-]	13075874	NBAZWXKUDBOEKY-UOIFGXKSSA-N	494.550	5.060	10	40	JKCB	
Cc1cccc(C)c1OCCOc1cccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1	13809736	FHADHQPJPGSCQX-ZEAYLUBASA-N	495.604	6.066	10	40	JKCB	
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1	14274331	GSAWTORFNNQQPZ-UHFFFAOYSA-N	493.799	6.013	10	40	JKCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	20286520	LVRPYOVGYKEMDA-JLPGSUDCSA-N	483.553	6.289	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(C)cc1)N1CCN(C)CC1)c(O)c1ccccc12	22810523	OVIQPWKDDJYIAB-AREMUKBSSA-N	472.585	5.422	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	35352202	GKUYPLDRISBLSA-HMCBYUHISA-N	457.534	5.209	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccccc1Br	36184602	HXNBAOLVPAWYLT-NVNXTCNLSA-N	485.222	5.279	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223012987	ATKBMJNMHWRCQH-YADHBBJMSA-N	475.445	5.415	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	223100917	WFOPEKFJVZDWAV-JWQCQUIFSA-N	499.511	7.101	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	224573571	OGWAYBKSXMUZLI-UIOOFZCWSA-N	469.614	5.378	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	225059826	WULHTSCONJBOJR-NSOVKSMOSA-N	497.668	5.664	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	408539541	XEKFVQWSOURPBC-ATVHPVEESA-N	491.371	5.628	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1	408539722	YGEBAAHQSQJPAG-ZROIWOOFSA-N	461.772	5.739	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2)N1c1cccc(Br)c1	408759352	CPDMDMPHFZAGIK-LFVJCYFKSA-N	453.339	6.437	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	408816784	SJDPGHMQWYNNOJ-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)o3)C2=O)cc1C	408988993	GIJQWLOJDAFONH-SFQUDFHCSA-N	475.551	5.324	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc([N+](=O)[O-])c1C	409177183	CZDQEDABRWXCQS-KEBDBYFISA-N	488.949	6.670	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1	409178130	GRGLDZLIWDYKSP-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1	409191980	RMSALMKXYKKVQT-OEAKJJBVSA-N	459.958	6.537	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O	409220816	GGNVELRPIPHMDL-LDADJPATSA-N	498.366	5.466	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)SC2=S)cc1	409341402	BKHDTYSHBZEZGN-HYARGMPZSA-N	478.595	5.182	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cc([N+](=O)[O-])c1C	409351309	TVAXKMAFPWRHSG-LPYMAVHISA-N	479.583	5.943	10	40	JKCB	
O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=S)Nc1ccc(SC(F)F)cc1	2641663	UYXYZPQHGFFJQA-UHFFFAOYSA-N	483.392	7.348	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1	4209035	MDDCBZQBAJMFRI-OEAKJJBVSA-N	471.469	5.297	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCSc1ccc(C)cc1	8452971	JWTRVFFCWHORLZ-VZKFJVGXSA-N	494.642	5.450	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(OC)c2O)N3)C1	8919537	UMEJCPPRYYOLTQ-WYRIXSBYSA-N	479.440	6.195	10	40	JKCB	
CCOc1ccc(-c2cc(=O)c3c(C)oc(C)c3c(O)c2/N=N/c2ccc(Br)cc2)cc1	9033531	BDZLPNUJGBIFPE-BYYHNAKLSA-N	493.357	7.359	10	40	JKCB	biogenic
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	9161268	CXEMQVYDISCBQM-SSOZYACPSA-N	474.417	6.210	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5F)c4C)C(=O)N=C3S2)c1	9291633	OHGJUHOCPRHYGT-XTLWELDGSA-N	487.560	5.240	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1	9293668	MYOLRXOSAIPGFR-OMYHDSEFSA-N	463.607	5.692	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1Cc1ccccc1	9294941	QFBGFVIKUBHYQV-YZSQISJMSA-N	467.615	6.820	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	9309626	PYJHDWKJYDOGBJ-SPXSAIPKSA-N	453.999	5.865	10	40	JKCB	
COc1ccc(N2CCN(C(=O)CSc3ncc(-c4ccc(Cl)cc4)n3CC(C)C)CC2)cc1	13562270	SRNPTTFARBPWMS-UHFFFAOYSA-N	499.080	5.309	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(N4CCOCC4)cc3)C2=O)cc1	15231359	QCCRKDHVFBPQHS-FCDQGJHFSA-N	486.999	6.047	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1C1CCCCC1	16399641	QQUHRDGQHRUSBU-NDENLUEZSA-N	485.543	5.829	10	40	JKCB	
O=C(c1ccccc1)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N2CCOCC2)s1	16476906	JSGBQCFQNIBGKI-GHVJWSGMSA-N	467.463	5.048	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O	20324468	CNSGUBRUXMKXFL-CTFRJJSNSA-N	466.946	6.289	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	58846012	WMQAWEHNRRYUNT-SGIRGMQISA-N	461.543	5.531	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847502	NTDAMZNYCJGAIG-GLDPYIMESA-N	454.954	6.106	10	40	JKCB	
O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58848338	AQOGWWPVVKPRLB-YZUZCNPQSA-N	499.405	6.216	10	40	JKCB	
CCN1C(=O)N=C(O)/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccc(Br)cc23)C1=O	59087292	TWOABFUAIVJDEA-UDWIEESQSA-N	496.361	5.113	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1c1ccc(F)cc1	59135657	SNGPOJYTDZNDPI-LFVJCYFKSA-N	466.468	6.065	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4cc(Cl)ccc4Cl)C3=O)n2)cc1	100524939	PHZQEYIVEXRNDS-PZPYUUCDSA-N	460.346	6.001	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc2ccccc2c1	100525443	MRIPRESLWFCIBX-JMSHBIQUSA-N	456.487	5.747	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	110422580	HTOZMUJSUORLSZ-MTJSOVHGSA-N	470.660	5.314	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c(C)n1-c1ccccc1	110422645	NQQIVEDUEKLFGY-FSJBWODESA-N	491.682	5.543	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	208328663	PCPGVPNNIFCVHP-SVZNOHIVSA-N	465.981	5.427	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103713	WUCOGSQUXUKOMC-CLJLJLNGSA-N	488.657	5.801	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104181	CMVUASYHLKGOOY-UIOOFZCWSA-N	495.092	6.456	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352135	NXBXCIMGLXFTPQ-RPBOFIJWSA-N	486.597	5.261	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223533821	OHEORSGTMQUNPD-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224300223	IEHWLSXMQVNUCI-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1	408756608	STZPSTDSGLORSV-KEBDBYFISA-N	490.159	6.730	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1	408806154	AQECAQLKYJOVOP-OEAKJJBVSA-N	474.944	5.511	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1	408809943	SSZQUONDXXTCSH-FYJGNVAPSA-N	497.334	5.247	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)c1C	408891016	JZSWFGVIFRGZBO-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)c(C)c1	408898120	URGFVQBTCGPCNP-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2cc(C)cc(C)c2)c1	408898765	MWXZRIUXYNFUAJ-AFUMVMLFSA-N	484.552	5.174	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1	408901002	BLOHPVNMEMXIBB-JJIBRWJFSA-N	461.656	6.346	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408902209	LYZHOCKMSKMZCK-RGVLZGJSSA-N	468.987	5.852	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1c1ccccc1	408903244	WIOZEOWJHYGQGN-UDWIEESQSA-N	490.408	7.117	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Br	409124255	AJKLGMCBKPVXOB-LTGZKZEYSA-N	473.436	5.964	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c2ccccc12	409129227	FUROCOUOEFFQDU-ODLFYWEKSA-N	457.418	5.841	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2ncccc2c1	409213558	SEBBFKSQMHJOJE-YDZHTSKRSA-N	459.958	6.537	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)NC2=S)c1	409239751	QBQFRWFLXJUUJM-LFVJCYFKSA-N	479.605	5.695	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F	409330324	LBVALUXCFWXBMB-MFKUBSTISA-N	472.610	6.539	10	40	JKCB	
Oc1cc2c3cc(O)c(O)cc3c3c4cc(O)c(O)cc4c4cc(O)c(O)cc4c3c2cc1O	2048532897	LYEYINGUSZFQDC-UHFFFAOYSA-N	456.406	5.097	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Cl)c1OCc1ccccc1	3864330	AUNIZANZUUDFRO-SRZZPIQSSA-N	476.916	5.432	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1[N+](=O)[O-]	8820160	PLLYKNOMKLDASL-RGEXLXHISA-N	490.006	5.649	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12	9185442	JFBRTGRVLAIKJV-CMTIAEDTSA-N	490.490	5.224	10	40	JKCB	aggregator
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9233326	OYIRVDUECZRYRG-UOSKESRZSA-N	457.962	5.552	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C)cc3C)C2=O)cc1Br	9262123	QBNYEGNTJJZBOQ-STZFKDTASA-N	460.371	6.546	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1	9309767	GCOGAXMQZWPFNY-JFDFMHGASA-N	473.989	5.723	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(-c3nnc4n3CCCCC4)cc2)c1C	12589147	VKGBULNSDBYZGF-DIBXZPPDSA-N	490.611	5.885	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	14009625	ALKOTRHOHZWPOE-XYGWBWBKSA-N	479.020	6.311	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1	16349144	KRBJVOXXLXKDBS-HAHDFKILSA-N	475.591	5.624	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	18089148	KDWPXBAHHVCUNV-SDHSZQHLSA-N	475.976	5.237	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3Cl)C(=O)N=C2O)cc1OC	33417270	PAXALVRUZAXYST-WQLSENKSSA-N	479.714	5.017	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	33524211	NYGCYTJAFCVCAM-JRZACFTFSA-N	495.395	5.463	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222836886	OMQWQGLMIQUOFC-GOTSBHOMSA-N	455.027	5.532	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224235268	QPAANWBXRIZQTE-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1cccc(F)c1	224869298	JLKUYZOHKGTPAP-DQEYMECFSA-N	493.007	6.164	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	408574634	ARYCSEMAXAEEAZ-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	408574712	MIYLDCYITSTHQK-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N/c3cccc(Cl)c3)ccc2O)C(=O)N1c1ccc(Cl)cc1	408726547	MSOCJFAGGMVNOS-JAOHZPSESA-N	470.337	7.355	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1	408765878	RGMCKNYRJLITAX-RCCKNPSSSA-N	473.985	6.161	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O	408872024	JERYZHRAOHQMFE-MOSHPQCFSA-N	478.907	5.287	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409053782	HVGUEZDMHPUKPT-KQWNVCNZSA-N	456.542	5.288	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1F	409126712	FOZQZRRKZXQHDJ-HAHDFKILSA-N	476.529	5.204	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c2C)cc1	409139628	BRAVUFKAYQVXEZ-HMAPJEAMSA-N	470.660	5.908	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409182136	IFTORCXQDNWWSA-VCHYOVAHSA-N	494.794	6.907	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c(C)c1	409224898	IZDNHVJCUYXHBR-HAHDFKILSA-N	483.568	5.277	10	40	JKCB	
S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CCN(c2ccccc2)CC1	409333400	JENAQFINIVSKHV-UHFFFAOYSA-N	499.643	6.608	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Br	409340284	UADPEEBFADGINX-RQZCQDPDSA-N	452.370	5.781	10	40	JKCB	
COc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1OC	2123929	LNNNFUZBAGXMAH-UHFFFAOYSA-N	457.526	5.374	10	40	JKCB	biogenic
CC(C)CN1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S	2199639	SCQLWESQPFFJIK-ZHZULCJRSA-N	493.654	5.642	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9159631	RGSOCVRCBMLVOG-OZNIXHKMSA-N	482.539	5.398	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3cc(C)cc(CC)c3)C(=O)N=C2S1	13801126	DHHWVYCVEHGBOR-OIYMOPNQSA-N	462.575	5.044	10	40	JKCB	
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccc(F)cc1	15231463	AKUFVOJLWFOAKJ-SANMLTNESA-N	478.955	5.244	10	40	JKCB	
CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(N(C)C)cc2)cc1	20970032	LMQLLMNBJRXFLE-SANMLTNESA-N	451.574	5.592	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	26593258	CZRKRJDGUGCFQT-KQHQIWRUSA-N	497.363	5.952	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1	31833878	ZQBUZQHSNJAQAC-APUKAWEPSA-N	497.576	6.208	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	33794118	VCUZNMZEVKMHOE-BKUYFWCQSA-N	465.918	5.910	10	40	JKCB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1	58849854	YVHMLQTUSVWPKK-YZUZCNPQSA-N	464.518	5.151	10	40	JKCB	
Cc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@H](c3cc(Cl)ccc3O)C2)c(C)c1	65298050	CNAGFGFCTVNPBO-MHZLTWQESA-N	474.048	6.178	10	40	JKCB	biogenic
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OS(=O)(=O)c1cc(C)ccc1C	70453928	ZWWMAVXSSUECTQ-UHFFFAOYSA-N	460.555	5.769	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)NC2=S)cc1	107616152	FJMURTAWINXLBH-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Br)cc1	222830601	MGZHCUXVHCGTGT-YADHBBJMSA-N	469.452	5.633	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223586436	GITOGBLSEUEMAX-RIWZNOJBSA-N	451.998	5.853	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223894112	IJPUMUSREMOKQU-NSOVKSMOSA-N	481.669	6.041	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c(OC)c1	224812669	AVZVZNBWYDPLBE-UIOOFZCWSA-N	499.640	5.387	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2Br)cc1	408789181	KJSOHUKKVQFKSA-XSFVSMFZSA-N	475.342	6.445	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2)cc1	408801843	CGXSNORMBZCEMY-LPYMAVHISA-N	460.917	5.202	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(F)cc1	408807220	KQRYHQMOXPRHOO-SVPNNHLASA-N	488.652	7.287	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1	408888335	ZGKAGCMUVMHOEP-HZHRSRAPSA-N	454.526	5.166	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1cccc2ccccc12	408942199	YCAQZEJXQKQDHN-PCLIKHOPSA-N	482.923	5.739	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O	409237209	IGQPXNUQTFWZMR-XQNSMLJCSA-N	479.536	5.063	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)cc1	409239494	NFSPEQBVSSPOKG-XQNSMLJCSA-N	490.003	6.065	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O	409329046	CKTGLESEHVSPRM-CPNJWEJPSA-N	459.434	5.764	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)c(Cl)c2)N3)c(C)c1	8454112	SMXTYYBUVJOOSG-OUDXUNEISA-N	499.463	7.238	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	9193123	IDBDENVJAOXIGS-NHOPXOSBSA-N	459.600	5.577	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)c(C)n1-c1ccc2c(c1)OCO2	10037145	XCGNOQXMNAIYLB-INIZCTEOSA-N	495.532	5.460	10	40	JKCB	
COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)ccc1OC(C)C	12619403	XFJATJGENFYIMN-UHFFFAOYSA-N	487.499	5.531	10	40	JKCB	
CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc(Cl)c(OCC)c(OCC)c1	13915601	YJBHXZMTAIXJRH-XSFVSMFZSA-N	484.980	5.900	10	40	JKCB	
COc1cc(-c2ccc(/N=N/c3ccc(N)nc3N)c(OC)c2)ccc1/N=N/c1ccc(N)nc1N	18251939	CHFBVODDBJMLEE-FMWAKIAMSA-N	484.524	5.320	10	40	JKCB	
Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)s1	18252454	XFFJKYLOCCOVKO-NBHCHVEOSA-N	494.566	5.038	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3\C(=O)N(c4cccc(C)c4)C(=O)N=C3O)c2)cc1	26675963	DREWIXAIKNPUOI-ULJHMMPZSA-N	456.498	5.268	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1	28295145	QZHPHTHWTODDHF-AUAXKSBWSA-N	455.539	5.222	10	40	JKCB	
CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847599	YZVRQVFNEVAVGM-CLCZQPDDSA-N	495.044	6.755	10	40	JKCB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)c1	58850102	VPTCSGZWKGDFBO-VYKTZEHYSA-N	497.576	6.375	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(O)=NC1=S	59087098	PNGDWJTUZRJJHH-MHWRWJLKSA-N	458.370	5.483	10	40	JKCB	
CCc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1	59859503	GBLLTBCYUBBEGY-AFUMVMLFSA-N	454.570	6.224	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCc1ccc(Br)cc1	70453911	AQQKBQMRFLPZCE-UHFFFAOYSA-N	461.359	6.726	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	144206468	MFAPAFOZFXRNAR-JAIQZWGSSA-N	453.907	5.897	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1C	208235995	SHFAGDPXHSPYPH-ZFJBLLOBSA-N	461.631	5.165	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC	209468488	UYTDGFSRZOXQIX-LFIBNONCSA-N	450.379	5.262	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223389506	FUSXERIEBHAADC-NSOVKSMOSA-N	466.654	6.279	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224220937	JFIBQJRCNHXPPS-SXOMAYOGSA-N	496.636	5.761	10	40	JKCB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408639040	DVPOCUNRTALFIV-XMMPIXPASA-N	478.592	6.749	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	408763106	RGZVNLBAPYJJOU-HYARGMPZSA-N	463.990	5.141	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)cc1Cl	408988364	QOAHNKAAQZZBPA-NDENLUEZSA-N	464.880	5.033	10	40	JKCB	
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409003169	RJSRPMVTTSIAML-OLYDCFLGSA-N	464.591	5.742	10	40	JKCB	
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c1C	409050471	WEKFAXMGSDSYGZ-OQLLNIDSSA-N	490.384	5.543	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C	409246160	FURIPWCQOFIWRZ-DEDYPNTBSA-N	461.949	5.339	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	409342999	FRTAEWAYSFJMGD-JCMHNJIXSA-N	497.041	6.218	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3C)C(=O)NC2=S)cc1	2308514	PPORBSJWVUTOQJ-UQQQWYQISA-N	493.588	5.293	10	40	JKCB	
CCN1C(=O)/C(=C/C=C2/SC(c3ccccc3)=C(c3ccccc3)N2CC)SC1=S	6177604	AAYUBURRNWYFKI-VBGLAJCLSA-N	450.654	6.187	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc2ccccc12	8819692	JWAXHTWVQPAZJT-NKFKGCMQSA-N	460.624	6.240	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821368	UTEWSVRFNYDIJL-SCWSXOCZSA-N	476.019	5.620	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	9293580	PKOLVFKRHIXHLG-FCASDSMHSA-N	461.975	5.216	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4C)o3)SC2=S)cc1	9310413	UOJVNNVQHGQJQB-CIAFOILYSA-N	455.988	6.318	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	14010081	DKFZQXINCRJRNU-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)cc4)cc3)SC2=S)cc1	16216713	NATDDECLPSTZLG-UCQKPKSFSA-N	491.590	5.374	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1	33664491	OVAOVYHPZONUKR-BKUYFWCQSA-N	455.366	6.655	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1OC	35038961	RJHLKDXHSJRQOS-KNTRCKAVSA-N	465.637	5.501	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1C	58846571	QURFUPZZJBIMHS-PPJWLVRDSA-N	475.570	5.839	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)c1	58846719	IUGFIUXJWUBQPL-OREGWCPLSA-N	474.582	5.659	10	40	JKCB	
CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847459	VBOZHTLURPVACP-CLCZQPDDSA-N	495.044	6.755	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1	59139772	BEDWDDQEQPBAFP-UHFFFAOYSA-N	495.000	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Br	222830181	HZEHOPSVVGFKKG-VXKWHMMOSA-N	469.452	5.633	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223053261	LYNKLAQBOXHIMA-GOTSBHOMSA-N	455.027	5.152	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223405621	AMJYVAPGMMBTDX-RRPNLBNLSA-N	496.636	5.448	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223425720	ZFPZOWAEKKYXLD-VMPREFPWSA-N	496.680	6.287	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223495546	VFOMNGJOTOEEQL-RRPNLBNLSA-N	467.642	5.619	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224202982	FJLGIPOVEVWBPY-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	224399459	PZDRQXJMTDISAQ-JWQCQUIFSA-N	460.553	5.944	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224897804	ZKQVLWDRDRHAOT-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)n1-c1ccccc1	225059570	BUFMGZJMRVSHTO-SXOMAYOGSA-N	467.642	5.655	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	408572464	HFHQMTGSAKQJLG-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S	408604115	SOSRMQHCEMTQFZ-MTJSOVHGSA-N	472.994	6.014	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1	408766964	XVYDXXWAHZZGJW-DEDYPNTBSA-N	472.169	6.590	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)cc1	408781722	DFDFOKWHFMMXCU-XIEYBQDHSA-N	461.521	5.428	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2c(Cc3ccccc3F)ccc3ccccc23)C1=O	408884027	SMKMSCNOGSPWST-LFVJCYFKSA-N	498.941	6.198	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(Cc2ccccc2Cl)ccc2ccccc12	408884333	TXQPNZJBUCKXLW-JJIBRWJFSA-N	466.924	5.750	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C)c1C	409036685	LIJBOXOSPOCYLJ-MHWRWJLKSA-N	459.418	5.904	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	409045589	ZPISLDWKVJNPHH-RGVLZGJSSA-N	497.334	5.253	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c2C)cc(C)c1Br	409145661	REJOFLQWLNHXSL-GRSHGNNSSA-N	477.493	6.331	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1	409236879	GNQWJWKUTLKJGC-MFKUBSTISA-N	453.517	5.538	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)SC2=S)c1	409329526	FEXLRKKCLNISDJ-XKZIYDEJSA-N	494.619	6.302	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)ccc1OCc1c(Cl)cccc1Cl	1281941	IUZXWCRJBBTMOG-RGVUVNHFSA-N	498.409	5.255	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(Cc5ccccc5)c4C)C(=O)N=C3S2)c1	2180480	BMDZUPOGOJGYOZ-HGMBWOCJSA-N	453.571	5.129	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1	8453069	VGYLPAVFFKFTRS-DZNPVLHISA-N	490.629	5.861	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1	9446095	OKGBDIALTXYUMP-RGEXLXHISA-N	489.018	5.137	10	40	JKCB	
CCOc1ccccc1OCC(=O)Nc1nc(-c2cc(C)n(-c3ccc(F)cc3)c2C)cs1	13059965	BECDGFHAPQBDAM-UHFFFAOYSA-N	465.550	5.773	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	13940353	GCEXMESDHIVKPT-KQWNVCNZSA-N	490.943	5.081	10	40	JKCB	
CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	15947307	YAIWIHZECDHRQK-JOCHJYFZSA-N	453.995	5.505	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)c(C)c1	16284978	ANRGVJNHFLVTQT-VVZHRXSXSA-N	474.582	5.629	10	40	JKCB	
COc1ccc(/C=C/c2nc(Nc3ccc(O)c(CN4CCCCC4)c3)c3ccccc3n2)cc1	17122765	VVTQPPMPBTXOAA-LFIBNONCSA-N	466.585	6.244	10	40	JKCB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)C2=O)cc1	20286509	UKNYKYYQDFPAKM-UQQQWYQISA-N	468.582	6.389	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OCC)c1OCc1ccccc1	33436598	KXZXEPLPSOTCLK-NLRVBDNBSA-N	452.554	6.199	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58849148	RPWGMRFJTOBTRE-ANSQWYIGSA-N	491.569	5.621	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(O)=NC(=S)N1c1ccccc1F	59135746	CPDWBVHRPGMMGI-PTNGSMBKSA-N	471.307	5.520	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cc(C(=O)O)ccc1Cl	59136210	UISGCHYEEOIWHU-MHWRWJLKSA-N	497.935	5.256	10	40	JKCB	
COC(=O)c1ccccc1/N=N/c1c(O)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc2ccccc12	111393478	IESSXLDTYTXHDL-NVQSTNCTSA-N	481.468	5.169	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1Br	144227816	MBLSVSXIFLPTGI-MOSHPQCFSA-N	453.361	6.098	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc21	208241573	AXWOBEZPWAHBTA-SGPNVBEDSA-N	472.372	5.382	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223057621	PVZULDYUCZPLLH-PKTZIBPZSA-N	489.472	5.805	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352076	NXBXCIMGLXFTPQ-JWQCQUIFSA-N	486.597	5.261	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224831508	FBGNBVSJHIJRLJ-IZZNHLLZSA-N	485.613	5.078	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OCc2cccc3ccccc23)c1	408803500	PUCOSQZXTVUCCZ-PCLIKHOPSA-N	492.531	5.402	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1	408840260	CYXOTZBIWCWKIC-QGOAFFKASA-N	475.913	6.003	10	40	JKCB	
O=C1/C(=C\c2c(OCc3cccc(F)c3)ccc3ccccc23)C(c2ccccc2)=NN1c1ccccc1	409089900	LBQMHMIEXRSWFV-OFWBYEQRSA-N	498.557	7.392	10	40	JKCB	
CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C1=O	409130495	IFCJBWDGEJFLEJ-HAHDFKILSA-N	482.606	5.829	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	409203028	UTGYRFLBYFKHLY-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)cc1	409236000	RBKFHUNWYKUDMU-KGENOOAVSA-N	485.996	5.483	10	40	JKCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1	1134102	GQGODDFGFACUIM-XSFVSMFZSA-N	487.309	5.529	10	40	JKCB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2cc(C)n(-c3ccccc3)c2C)cs1	3340441	QCDQLALUVRSHOU-BVZFJXPGSA-N	486.641	6.001	10	40	JKCB	
Cc1cc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)ccc1Cl	8399272	YZLZJZUFQDIGHG-VXLYETTFSA-N	463.773	7.298	10	40	JKCB	
C[C@H](COc1ccccc1)COc1ccccc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	8951976	RZMYFFZCWYZWHH-WYRWUVFZSA-N	475.635	6.182	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9293304	SRGXHTMSVBESJY-CORGUDEYSA-N	493.567	6.054	10	40	JKCB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(I)cc1	9933386	KIOWZJHRDJKGID-NBVRZTHBSA-N	494.288	5.671	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1	12362988	AWZLMFSKPLIMEF-LDADJPATSA-N	468.340	5.376	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O	13892979	PJBYNMAPHNVYMV-KQWNVCNZSA-N	496.053	6.820	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)o2)c(Br)c1	30684143	ZJJGXQPQBSYFGH-NWSLSDTJSA-N	491.370	5.685	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1	32694319	DIIQUFGARKPLGK-XMHGGMMESA-N	458.674	6.074	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/SC(Nc4cc(C(=O)O)ccc4C)=NC3=O)c2)cc1	35042649	RBWWZBBVWCRDPJ-YDZHTSKRSA-N	458.539	5.663	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	38206503	FCQOPYVYCCDOKB-DIBXZPPDSA-N	475.544	6.296	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	41076344	ZXHXPYZCKQMUAF-KLUMOMIWSA-N	475.618	5.692	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(C)c5)c4C)C(=O)N=C3S2)c1	41108397	ZHNSTTHLZHGALN-MNAJPBKWSA-N	483.597	5.409	10	40	JKCB	
CCOc1ccccc1N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	101152595	COOZWCGOLLPQAW-HAVVHWLPSA-N	454.555	5.832	10	40	JKCB	
Nc1nc(N)c(/N=N/c2ccccc2)cc1/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1	104090867	LKLLYUYCKZADMU-MPCWFZQZSA-N	479.551	5.334	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2[C@@H](C)CC1(C)C	223583474	ZLMORNWGWLHZKT-OVBDPADQSA-N	459.590	5.390	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223862255	DIWMJMKFLNCOTJ-VPUSJEBWSA-N	468.626	5.989	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224431293	FUDFCPQYNMPDEB-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(C(=O)O)cc1	224435140	MCIKUSYWBOKGCK-RPBOFIJWSA-N	486.572	5.504	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1	224568558	WBILUTWNTSZKPG-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1Cl	225656544	VFXYHUXPRHCMMX-QGZVFWFLSA-N	460.043	5.801	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1	408641443	LNIZHYISPXVEQK-SFHVURJKSA-N	491.374	6.931	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1	408737516	CHNDRTSWTWKNOM-XMHGGMMESA-N	492.789	8.378	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408807888	IGIFLMLWPNWZSE-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)N2	408830972	UNFMAEROVVLRKN-DPLHUUCSSA-N	476.916	6.352	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12	408888222	UAIANPNNCKMEFM-WQRHYEAKSA-N	470.369	5.310	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408903233	WBWXNTZADCTSNW-YBFXNURJSA-N	471.771	7.032	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Nc2ccccc2)cc1	408984352	HGNVWCGGGXVAPV-OQKWZONESA-N	483.398	8.208	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl	408986323	PRISSKKWJHHWCH-LFIBNONCSA-N	461.175	7.772	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409162886	JAFYMWXKEFHRLU-IUUKEHGRSA-N	464.743	5.644	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)ccc2cc1-c1ccccc1	1614474453	SHOQQOZZKQPSPH-GFGLBCFSSA-N	482.624	5.561	10	40	JKCB	biogenic
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC	1416660	XVZYGRFQTGUZJC-VCHYOVAHSA-N	480.405	5.271	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	9210122	OXESRHDISNMOOY-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
Cc1nc(Cc2nnc(SCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)o2)cs1	9672656	GOMGESKMEIHRFA-UHFFFAOYSA-N	492.548	5.827	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1F	13894324	HMNHIIBMPIHKJG-VNBAYUTASA-N	499.615	6.337	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	33911582	WZCVSCQKCNDMJE-LTQDZZRLSA-N	460.390	5.820	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1	35044461	HYEIAMKXZKIBGM-MTJSOVHGSA-N	473.356	6.794	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58847326	NBIMBTXCTNTEBT-YYULODDRSA-N	480.973	5.696	10	40	JKCB	
CC(=O)N(c1nc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1ccc(F)cc1F	97990595	SYQXCYPMTPYHHL-VXLYETTFSA-N	470.526	5.497	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(Br)cc1	100510892	BEFPVSCEBHQPJG-FTGFMQHASA-N	454.353	5.756	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(Br)cc1	100525474	KXSMRKZNWAKPPJ-AWZKZOKMSA-N	485.323	5.356	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)cc1	107907179	HKYZBOXXASTCCP-XSFVSMFZSA-N	463.990	5.141	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)o1	108071053	VLAXNYYJQRTLCH-WSDLNYQXSA-N	464.543	5.327	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1	113834439	ISVUQTCOCOWQNA-YBFXNURJSA-N	456.932	6.222	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1	208443835	LQAIONPWDQKXIA-UCQKPKSFSA-N	491.613	5.392	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223723132	VGLCMPCUXOOZLE-DNQXCXABSA-N	483.037	5.068	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	224570977	XGLWDGFMEXFOJW-IAPPQJPRSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1O	224870778	IVENMBGNTMWFML-DQEYMECFSA-N	491.016	5.731	10	40	JKCB	
Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	225582167	RKKIPGYGVRPKQC-IZLXSDGUSA-N	495.652	5.490	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	408571231	ALSBURVMLDBCCY-NDENLUEZSA-N	491.034	5.366	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	408578352	XSKCANIQPZFSMN-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Brc1cc2c(cc1[C@@H]1Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]31)OCO2	408736206	LFCOPIRFEBMAJX-FUMQJTLXSA-N	462.343	6.797	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(C)cc2)cc1	408763558	IURMBGTYECVEEF-OEAKJJBVSA-N	451.353	6.535	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1	408807822	HWFXNVYPIWJWKW-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1	408808999	GZXMTSLJUARSJT-MFKUBSTISA-N	482.923	5.739	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C)cc1	408904968	RHOKXCMVSBCYPK-HZHRSRAPSA-N	461.359	6.143	10	40	JKCB	
Cc1nn(-c2ccccc2)c(C)c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409002610	VRCHHLDSVFSMPA-UHFFFAOYSA-N	462.509	5.073	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OC(C)C	409030830	FKARQVRKVCIEFC-WZUFQYTHSA-N	479.232	6.282	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(c2ccccc2)=NN1c1ccccc1	409090330	OYUGGUBMQCMYAG-DIBXZPPDSA-N	464.952	6.754	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1	409203476	WNKTUEKYCYJRDZ-DEDYPNTBSA-N	450.541	5.117	10	40	JKCB	
CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC	409212966	NQIBOUJFQNCMFS-HYARGMPZSA-N	479.579	5.196	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(F)c1	409242097	LTPDGHBJFDRFLK-YDZHTSKRSA-N	461.562	5.188	10	40	JKCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O	409246885	KQALMJMULMOSPC-PCLIKHOPSA-N	494.588	5.885	10	40	JKCB	
O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c2o1	1614472593	UNVIRHUXSXSVIE-YGTJPLCHSA-N	482.624	5.561	10	40	JKCB	biogenic
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)C(O)=NC2=S)c1	859938	QMFUTZQADJFLAD-BUVRLJJBSA-N	488.613	5.230	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)c(Cl)c1	2262526	ZRXZNFMGEDFTEJ-CXUHLZMHSA-N	471.818	5.877	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)ccc1OCc1ccc(F)cc1	4209055	QZFXZDOUSFQWKC-LPYMAVHISA-N	474.488	5.537	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1C	9292086	MADBSTSQURMMOF-RVKANBTNSA-N	471.561	5.518	10	40	JKCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4cccc(OC)c4oc3=O)cc(=O)oc12	9357517	FXAHGALVUUIDKP-QGZVFWFLSA-N	461.514	5.045	10	40	JKCB	biogenic
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	13810655	QWFFMOURVNOMBD-CNEFMTTRSA-N	485.413	5.294	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1Cc1ccccc1	20522408	NLIQPABOGIIXGL-XKZIYDEJSA-N	469.990	6.460	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C\c3cc(Br)ccc3OCc3cccc(F)c3)S2)cc1	33581467	ZPYYVRYUUVEKRK-LPYMAVHISA-N	497.389	6.558	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58848191	CAAAWQIAPVLVQD-CEYNDMKZSA-N	495.000	5.974	10	40	JKCB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1Br	59418130	QNQPQZINBVIHLP-CXUHLZMHSA-N	453.814	5.574	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208308158	ZLAXQQGLWURNNX-NXUSMQHESA-N	455.023	6.689	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc21	208448050	LCPKSILZQLYJKL-NDENLUEZSA-N	468.420	6.163	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c1	214097957	HXZKBDFKMAPMPW-VXLYETTFSA-N	483.885	5.233	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	222971639	TVPGCUASYDLGEA-BJKOFHAPSA-N	462.619	5.268	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C	222989384	KZGRMZSKUBZUBL-BJKOFHAPSA-N	462.619	5.048	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(F)c1	223383796	PIDUDOFEDNDTSV-CLJLJLNGSA-N	456.590	5.801	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)c1	224232717	TYZRUJKXTZRICQ-LOYHVIPDSA-N	488.660	7.128	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)n1-c1ccccc1	224384995	VYTIWEQHHFJKNP-KAYWLYCHSA-N	452.627	6.481	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)n1-c1ccccc1	224514826	KTZYUKHFMVNUSE-DNQXCXABSA-N	489.442	6.120	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1	224603463	NTTPWHCAEVNNRD-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)cc1	225031651	XOCSJPJSHKHCFS-JWQCQUIFSA-N	474.630	5.191	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	408585234	XYHTUSJXUAHHND-JLPGSUDCSA-N	470.481	5.051	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(-c2ccccc2)cc1	408738780	OGJOMSRJIKREMO-NCELDCMTSA-N	478.389	7.587	10	40	JKCB	
CCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Cl	408783466	PKECLBRBMOWGPP-UHFFFAOYSA-N	462.958	5.487	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1	408800733	OZYDWLNJBHEPKW-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
Cc1ccc(N2C(=O)C(=Cc3ccncc3)C(=O)N(c3ccc(C)c(Cl)c3)C2=S)cc1Cl	408818285	NLJYFOQAOAVNCY-UHFFFAOYSA-N	482.392	5.754	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1C	408875134	DJPUWBAVTMJKNM-MOSHPQCFSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)c1	408876546	PXPXZCYTAXXTRD-KGENOOAVSA-N	462.908	5.353	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C2=O)cc1	408897387	JCKMYGUJQMYFCW-ULJHMMPZSA-N	472.541	5.472	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cc(C)cc(C)c2)c(Cl)c1	408937685	JKAVORXZVRDBKY-OEAKJJBVSA-N	458.945	5.978	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1	409097837	NPNRXUKFROCPCD-UDWIEESQSA-N	468.962	6.137	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	409178694	NWTKYOOBEVUAQH-RQZCQDPDSA-N	486.815	6.436	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409200118	GTZCFOKYMFKDNS-UFFVCSGVSA-N	457.382	6.950	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409216543	MBGJJCSVLSTVBZ-UKWGHVSLSA-N	477.800	7.295	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccccc1F	409339836	ZHGDAGAJLUCQDM-FOKLQQMPSA-N	495.553	5.548	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccco1	6906884	NRBAESQIIIGZIU-YBFXNURJSA-N	471.943	5.567	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)cc1	9009563	MZNNTXBUFPNTJA-XIEYBQDHSA-N	481.552	5.545	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	9076559	NVBUVRAIYWFFGH-OYJNRBEISA-N	475.976	5.927	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1	9281987	UXUQPYYLQCQFGZ-RWZBYALASA-N	482.613	5.670	10	40	JKCB	
Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)sc2nc1-c1ccccc1	13575473	XYHJWFBMGAHRMR-UHFFFAOYSA-N	478.573	6.561	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCCOc1ccccc1	13802253	WWDPDAXMPRATKK-UAJGQANVSA-N	497.576	5.457	10	40	JKCB	
COc1ccccc1/C=C1\SC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=NC1=O	13942371	HKVUGXFSRMBJHL-QQTULTPQSA-N	469.610	5.073	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCOc1cccc(C(F)(F)F)c1	15945520	LOGXVIGZMSFOPN-BOPFTXTBSA-N	469.506	5.003	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)SC1=S	83259497	GXOMBDYFTWFMQX-YVLHZVERSA-N	454.400	5.802	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223122146	XDKWMCKFIGGCHI-FTJBHMTQSA-N	488.657	5.581	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223389092	FQLJXNXVRDDDSR-IXCJQBJRSA-N	466.654	6.279	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(N(C)C)cc1	223539341	OHRBYQSJHLBMRC-SVBPBHIXSA-N	482.657	5.123	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	224169429	SANKVNYTCUNPNO-RPBOFIJWSA-N	493.463	6.973	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224299925	GCHUEVXZEAPYGE-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224622399	XZICPFIFHJYMKH-CLJLJLNGSA-N	498.608	5.158	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c(OC)c1	224823899	MSFUGUMIPAWYRS-UIOOFZCWSA-N	470.598	5.375	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)ccc1F	224897456	OOXWECZQOPPLII-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c(C)c1	224903073	NSDQQJWXSRTOLJ-YTMVLYRLSA-N	498.671	7.039	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1O	225045112	MFYMHNNNUFYEKK-VSGBNLITSA-N	497.668	5.669	10	40	JKCB	
CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1C	225173543	BXMNNFJCKUXBKB-IZLXSDGUSA-N	495.652	6.015	10	40	JKCB	
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccc(Cl)cc1	408631989	CDFGBLNJJQJONE-NDENLUEZSA-N	486.380	6.669	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1	408816305	YGLUTRKFEMRGTD-UHFFFAOYSA-N	467.014	6.136	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OCC	408848002	OVOIEYFLVWJRPM-XYOKQWHBSA-N	499.803	5.276	10	40	JKCB	
CCCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408878298	ZVRJFWCONCCUCQ-UHFFFAOYSA-N	476.985	5.877	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)c1	408893814	FWVSWUMMBOANNA-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(Sc2oc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Br)cc1	408909738	IIDUNDNBSXSTSH-WOJGMQOQSA-N	497.370	5.477	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409058862	LURWUUTURNWUTK-UCQKPKSFSA-N	490.987	5.942	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409095442	HQPHRZWPEVVSDO-DEDYPNTBSA-N	469.349	5.811	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	409156818	OLKDKJHQYANWDA-JQYIIUTOSA-N	462.456	7.876	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	409244124	YDLHRSZIPLGYSL-WPWMEQJKSA-N	497.982	6.424	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409342849	CUJIKDDJVKAKCD-SXGWCWSVSA-N	488.350	6.272	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409352601	XBKYQIRZMKLNQD-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3cc(OC)ccc32)S1	1822735	YUEWQAOQEPRIKD-NKFKGCMQSA-N	469.653	6.350	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	1912428	GBBGPWYNFCTENO-HMAPJEAMSA-N	496.009	6.111	10	40	JKCB	
O=C1OC(c2ccccc2)OC(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	2120967	PAAIQKAHVZMURW-UHFFFAOYSA-N	478.331	6.179	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	2298270	OCWILYTZQKOEFS-JWGURIENSA-N	479.623	6.742	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1Cc1ccccc1	2370942	VTZGPPSFOWXOEH-PXLXIMEGSA-N	488.012	5.570	10	40	JKCB	
COc1ccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1	2745993	JYOYNTVJVLPGSZ-QFIPXVFZSA-N	499.352	5.137	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1	8451388	GBFIMKNKQXZUGE-JRUOFFEZSA-N	488.016	5.977	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1	8821547	PGEASNFCJKZFOP-CIAFOILYSA-N	450.541	6.186	10	40	JKCB	
CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1	8821875	LTOXLMXBNVGPOS-UDWIEESQSA-N	453.907	6.153	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9234566	PYYZQDZQQWXRPZ-UNTPUJHMSA-N	461.497	5.040	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9264660	BXTARBPCEPCELX-WQRHYEAKSA-N	454.313	5.067	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1	12412840	XBWJYBWQCRGWCO-NDENLUEZSA-N	476.916	5.432	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)CSc3ccc4c5c(cccc35)CC4)n2)c(C)n1-c1ccccc1	12637589	UJJUESRJVRMUET-UHFFFAOYSA-N	495.673	7.200	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C	26607927	XLKOVTSUNHPYSS-JLPGSUDCSA-N	461.608	6.379	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1	34690205	JEVHFIBKPDXJFH-MNAJPBKWSA-N	483.597	5.409	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1	41084230	VNVKDIPNPHHUTK-FKSRUJNBSA-N	476.565	5.060	10	40	JKCB	
COc1ccc(N2CCN(Cc3c(O)ccc4cc(-c5nc6ccccc6s5)c(=O)oc34)CC2)cc1	41585793	SYSLMNHFAXPWDA-UHFFFAOYSA-N	499.592	5.106	10	40	JKCB	biogenic
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(O)=NC(=S)N1c1cccc(Cl)c1Cl	59137764	KQSLQTUOKBNUIA-GXDHUFHOSA-N	461.301	6.064	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(Br)c(Cl)c1O	59139132	OPGWTIMVRDTCHZ-JXMROGBWSA-N	499.745	5.018	10	40	JKCB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1	97990649	KMELNGXHGSUDMN-BKUYFWCQSA-N	459.483	5.205	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-]	102954638	CXUMVQWUVALFQB-HZHRSRAPSA-N	479.496	5.262	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)o1	208727040	UAWVVJUHQAYBSU-MTJSOVHGSA-N	466.540	5.886	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1	223536484	RMUYDSMDJKVRRU-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\NC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223586676	YNLDRNXOINTSRR-RIWZNOJBSA-N	495.023	5.292	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	224168614	MCOJLPOJXUCYOO-DQEYMECFSA-N	468.582	5.364	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225049632	OBYPTNHOTPZOSY-SVBPBHIXSA-N	496.684	5.667	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408762184	JPSKGGPDWWQMGN-LKZQPVPRSA-N	474.000	7.342	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1	408934209	CYJAGIUWGQJLMJ-MTJSOVHGSA-N	467.308	5.239	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4ncccc4c3)C2=O)cc1	408983826	DCZOKTZPFYDBJZ-CJLVFECKSA-N	452.941	6.758	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1	408984563	IZXCUXZMNBPRQC-TURZUDJPSA-N	489.575	5.990	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S	409013863	NWLUDMLBJKGAQD-CPNJWEJPSA-N	471.365	5.817	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)S1	409026479	QIVCYYODKDWBKN-IDUWFGFVSA-N	455.750	5.332	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1	409032990	DBDRBGQXOGFACD-YVLHZVERSA-N	492.831	6.421	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409057452	QFGSTNHUEMBJEA-ONUIUJJFSA-N	488.559	5.899	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2Cl)cc1	409084597	XRLHXBTZOKKYGX-BCUAHEQISA-N	494.465	6.261	10	40	JKCB	
CCN1C(=O)N/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C1=O	409239958	ISAYBCSZRAWQMN-RCCKNPSSSA-N	488.613	5.199	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)c(OCC)c2)SC1=S	409326888	FZNRLNAFSAAVKI-HAHDFKILSA-N	498.670	5.837	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1cccc(F)c1	409327317	JAPIIWVEFGMCPT-KSEXSDGBSA-N	496.991	7.027	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br	409338793	BEHKTZVGOMFJCW-PXNMLYILSA-N	472.788	6.046	10	40	JKCB	
CCOc1cccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1	409341278	ARVQQOMRSHYHHH-SXGWCWSVSA-N	454.798	5.907	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)cc2)c1	409341344	BIVGHXXJNDOBPK-LFVJCYFKSA-N	460.624	6.046	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2)c1	409357861	RVAMMVAPNHZVBO-XYGWBWBKSA-N	493.028	7.006	10	40	JKCB	
COc1cc(Cn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)ccc1OCC(C)C	604406374	UCFZJGFZASGBCP-UHFFFAOYSA-N	499.563	5.322	10	40	JKCB	biogenic
O=c1c(-c2ccc(Br)cc2)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12	1263583	RLFWNZYLELGBHP-UHFFFAOYSA-N	468.269	5.543	10	40	JKCB	biogenic
O=c1c(Oc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)oc2c(CN3CCCCC3)c(O)ccc12	1770946	CXAGNERIYSBJHG-UHFFFAOYSA-N	495.497	6.963	10	40	JKCB	biogenic
C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccc5ccccc5c4)c(C(F)(F)F)oc23)C1	4136336	JRPXNIDXGJKPNC-MRXNPFEDSA-N	483.486	6.695	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	8820428	DOHUXCMSPCAWCZ-DFBITEFZSA-N	497.856	6.433	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1	9188724	HXEAKKNTIOLOIP-JCMHNJIXSA-N	460.580	5.120	10	40	JKCB	
COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(Cl)cc1	10906892	VBITWGRVLJNHQL-UHFFFAOYSA-N	480.992	5.036	10	40	JKCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1cccc2ccccc12	13940451	IXNGYNSBJJNPPE-MTJSOVHGSA-N	466.946	5.187	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	14165929	WWNZEBNZUMPJOU-RNHFSVANSA-N	495.000	5.974	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	30828589	RFMGRKFMCCARAE-JLFKZYKSSA-N	476.355	6.013	10	40	JKCB	
COc1c(Cl)cc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1Cl	33624138	WTDBBBUUHQIOLN-OBBQEJRPSA-N	475.357	5.009	10	40	JKCB	
CCC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccccc1O	95945289	NYLRLCJJWQGBLO-JOCHJYFZSA-N	471.944	5.642	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)cc1	108174073	PEMNHMMRRVKNGA-ZSOIEALJSA-N	468.170	5.308	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc21	208443790	BRFWWIPNORHTPO-QRVIBDJDSA-N	475.614	5.610	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927203	FUFNYNWAHDDNGC-ZEQRLZLVSA-N	469.054	5.780	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccccc1C(F)(F)F	223343861	SSYFOZIJWJJWAK-DNQXCXABSA-N	496.558	6.274	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)cc2)CC1	224370378	APFVYSGXYAOLJK-JLJGYXLTSA-N	457.574	5.164	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224897763	ZKQVLWDRDRHAOT-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1	225802706	TXSOLIXOQZKITL-UHFFFAOYSA-N	493.673	5.046	10	40	JKCB	
O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2ccc(Nc3ccccc3)cc2c1O	299888746	WAMNFLXJMSWFES-UHFFFAOYSA-N	463.471	5.649	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)SC1=S	408578523	YJKXQYMSAUYOSD-NVMNQCDNSA-N	481.426	5.621	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2cccc3ccccc23)c1	408802736	GSEQMVKBGYYZGT-PCLIKHOPSA-N	478.504	5.094	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3ccc(Cl)cc3)C2=O)cc1	408813558	QRCBXLSQFZGENV-OEAKJJBVSA-N	490.943	5.156	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)cc1C	408851719	NAEWQJRLNBUJEI-RGVLZGJSSA-N	482.367	5.684	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1Cc1ccccc1F	408867530	LKORGPOPSPGGQT-ZHZULCJRSA-N	495.373	5.010	10	40	JKCB	
CCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408867535	IWJHIBPQGLOAKP-UHFFFAOYSA-N	478.573	5.987	10	40	JKCB	
O=C1C(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408885980	CFHUHWHVYGAIBU-UHFFFAOYSA-N	492.506	5.988	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(F)c1	408903272	WTOXYCRJROFIOR-LPYMAVHISA-N	464.924	6.263	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC1=S	409029528	BITRKHSMZCQXSE-OCKHKDLRSA-N	486.873	7.083	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NC1=S	409066705	BHACNYLISHEBCX-LFIBNONCSA-N	490.890	5.759	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)NC2=S)cc1C	409143015	YLMQROHXOGBTBT-QRVIBDJDSA-N	494.458	6.044	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1Cl	409211871	OYVVVQOWQHNGBK-RGVLZGJSSA-N	486.958	6.231	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC	409342683	GAXBDPNGDVPWIO-XDHOZWIPSA-N	467.534	6.299	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1C	409345568	IDOWDTIEXRZHLJ-RGVLZGJSSA-N	460.407	7.276	10	40	JKCB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1	1260822	XTRIQIQZBSRGRG-UHFFFAOYSA-N	472.353	5.627	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1	2197439	NTAKBKJZXPMQFW-STZFKDTASA-N	493.679	5.581	10	40	JKCB	
O=C1c2ccc([N+](=O)[O-])c(Nc3ccccc3)c2C(=O)c2ccc([N+](=O)[O-])c(Nc3ccccc3)c21	8399097	OREKKTNKUKMOKU-UHFFFAOYSA-N	480.436	5.766	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc23)C1	8788796	DPBHGVWXZWDYKQ-AWEZNQCLSA-N	496.357	5.266	10	40	JKCB	biogenic
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)N=C2S1	9144651	KJVUMSHNMYTLRV-GBEVANGZSA-N	462.575	5.474	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9192460	IKHUMRPCDIQSBL-DJLIDFDYSA-N	468.586	5.280	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	9281796	XIMPSWYLHQKNQQ-NFBUKIRSSA-N	453.999	5.803	10	40	JKCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21	20059416	VYMLPZUZBVEGGQ-DPRDIOBOSA-N	475.592	6.261	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)SC1=S	28629412	CXWZBTDMDWXYJK-UNOMPAQXSA-N	450.545	5.057	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	33352641	SGXRYAMSHOHJFE-LMCIQFFISA-N	478.552	6.133	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1N1CCCC1	34690887	TYSXPOUJQXGPIH-MOSHPQCFSA-N	457.393	5.594	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(C)cc5C)c4C)C(=O)N=C3S2)c1	35087348	WMCONDZKPREKLZ-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c(C)n1Cc1ccccc1	35212575	CCCNGVUPENLAAI-JJYAYZJSSA-N	488.016	5.669	10	40	JKCB	
CCn1cc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)c2ccccc21	59862328	LLJOEBQEFPNHIQ-GZTJUZNOSA-N	452.308	5.239	10	40	JKCB	
Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(c3ccc(F)cc3)CC2)c1O	95350619	PXJUZZWVNZYDPJ-UHFFFAOYSA-N	469.560	5.567	10	40	JKCB	
Cc1nc2ccccc2nc1-c1ccc(/N=[N+](/[O-])c2ccc(-c3nc4ccccc4nc3C)cc2)cc1	100133574	DFQPITYGXWWMAR-ULDVOPSXSA-N	482.547	7.450	10	40	JKCB	in-vitro
CCOc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	208325194	WKIFQEMNBVFWIF-MMTNMYCKSA-N	491.657	5.337	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)SC2=S)cc1	208725468	QYLXZSVSXSQPSV-NDENLUEZSA-N	468.512	5.278	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224011535	MATAQYDVQPXSBS-KAYWLYCHSA-N	482.609	5.703	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224302460	PWLYUJBPTVLCCC-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224335802	KRBQTUGRRRXUKN-KAYWLYCHSA-N	487.072	6.882	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224373538	GUYLZMBOWFLDEJ-VSGBNLITSA-N	481.669	6.493	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1O	224393990	MMSOYTQBUBPDHQ-JWQCQUIFSA-N	493.007	6.164	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224466032	PXPZPDAJMAMJQJ-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224601389	VURZWBXPHSECNQ-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc2c(c1)OCO2	225019114	QOKYLRJMAXTOFE-RPBOFIJWSA-N	460.603	5.133	10	40	JKCB	
O=S(=O)(O)c1cc(N=Nc2cccc(/C=C\c3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	245240703	RRVMYYAEPMQLSF-YUHGQMPGSA-N	470.510	6.254	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c1	408574243	LEPSVOJYXBSZIX-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)O)c3C)C2=O)cc1OC	408754072	LRTDQFLSPINWSK-CPNJWEJPSA-N	475.928	5.835	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2sc3ccccc3c2Cl)cc1	408760491	ZOOXBLHWXCAIGF-RCCKNPSSSA-N	476.960	6.927	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)C1=O	408899189	ZSXUZZQTXGRJSK-LDADJPATSA-N	499.325	5.686	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1c1ccccc1	408901897	IOJGPBNEFHJAOR-KGENOOAVSA-N	482.424	6.434	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1	408935803	DTPQDWMYYRZGMG-KGENOOAVSA-N	475.342	5.470	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccc(Cl)cc2)cc1	408987849	ZCZVCIZQRSHBEA-OQKWZONESA-N	473.956	6.387	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)NC2=S)c1	409010493	KSVMKPNETHUNRO-WSDLNYQXSA-N	478.017	5.504	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1C[C@@H]1CCCO1	409079701	LAQDDEKQCWFJNH-IOOSODASSA-N	461.608	5.799	10	40	JKCB	
Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(I)cc1	409145887	QHEPYWIIHAEFKP-HXUWFJFHSA-N	459.356	5.396	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc([N+](=O)[O-])c1C	409329433	FOJCJSRWHMUOGL-JAIQZWGSSA-N	454.504	6.017	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OC(F)F	409361540	SLNWYJGGUPPIRT-YVLHZVERSA-N	453.557	5.814	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S	2203963	GZSIVZIMZBMMSC-JXAWBTAJSA-N	486.018	5.532	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)C(=O)N=C3S2)c1	8450643	MRBWNZJIFDZROL-ZVWBETBCSA-N	491.979	5.863	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	9193156	GXNVHMHUPFJTER-JRTRTLMXSA-N	488.444	6.456	10	40	JKCB	
CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	17445293	DFLZKYVYVSZGKF-MTJSOVHGSA-N	481.375	7.261	10	40	JKCB	
COc1ccc(Nc2ccc(N/C(C)=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2)cc1	20287797	YBCROOZSCRXCCQ-HFTWOUSFSA-N	474.564	6.576	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3ccco3)=NN12	41076787	AMNBOVZUKXJDBE-FYJHPUIUSA-N	469.501	5.089	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58846077	NUWMYHPGZYQGQZ-VVZHRXSXSA-N	465.018	6.530	10	40	JKCB	
O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[C@H]2C=CC[C@H]21	58847344	UCVSRCZYHSAKPO-SRGWNRLKSA-N	480.973	5.666	10	40	JKCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	95537285	RTHQUKSLYCQFNB-LPYMAVHISA-N	463.921	5.258	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1	223345985	DSHUXWJJKHAACK-RPWUZVMVSA-N	463.006	5.908	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223367074	SMGRRFXOOZGQDR-DQEYMECFSA-N	486.597	5.041	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O	223489043	WCOIOOOVQBOJOD-PXLXIMEGSA-N	457.574	5.326	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(Cl)cc1	223497066	KHICGZJHLQVOOH-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c(C)c1	223541451	XNRJXTAVILNRDF-IXCJQBJRSA-N	481.669	5.982	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1Cl	223619921	XJXGPCCWAPISRZ-FGZHOGPDSA-N	475.445	5.151	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224537964	AIJFNSUWUQMQLL-PXJZQJOASA-N	496.680	6.546	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1Cl	224956750	FTEWVWXPEYPFJJ-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(N4CCOCC4)cc3)c2)cc1	225421424	PHVGCUBIQHWLCI-UHFFFAOYSA-N	487.669	5.538	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	260919571	MHALUGKMDXESJC-LOSJGSFVSA-N	490.076	5.934	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccccc1Cl	408577914	VRPQQSITHSHGRY-BKUYFWCQSA-N	498.988	5.902	10	40	JKCB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C(C)C)C2=O)cc1	408578171	WKHMMVYITPKBIM-GRSHGNNSSA-N	461.008	5.276	10	40	JKCB	
O=C(O)/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Sc1nnc(-c2ccc(Cl)cc2)o1	408632971	IHORGEUNXUWURO-LDADJPATSA-N	472.910	5.116	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408753061	LDKKUCUCIVDRMM-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1cccc(Cl)c1	408802827	HWVJYUUVERLFKI-LDADJPATSA-N	497.334	5.247	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(Cc2cc(C)cc(C)c2)c1	408881977	OMQFKIYTPAETON-PCLIKHOPSA-N	468.553	5.186	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2C)cc1	409123028	DILKJJBWYFMROQ-HAHDFKILSA-N	494.638	6.045	10	40	JKCB	
CCN1C(=O)[C@@H](Cc2cc(OC)c(OCc3ccc(C)cc3)cc2Br)SC1=S	409160202	DTAZRPRWINCHFJ-LJQANCHMSA-N	480.449	5.136	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2cccc(C(F)(F)F)c2)C1=O	409234379	WCIHPXZWUHWVIP-SFQUDFHCSA-N	473.838	5.124	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2)cc1C	409353696	PSLYOXAQVOCZKZ-HZHRSRAPSA-N	480.655	5.855	10	40	JKCB	
CCCCCCN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21	1808285	GXDQVANWLMXPFB-VXPUYCOJSA-N	457.020	6.043	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OCC)cc3)N=C2C(F)(F)F)cc1OC	2168705	ZGKUJXUUNOAIJC-AQTBWJFISA-N	476.451	5.009	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccccc3OC)C2=O)cc1	8819837	LOMCQKRCOHWWOV-PGMHBOJBSA-N	470.616	5.104	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)c(Cl)c1	9235478	HLUQECDXAUKFLZ-HYARGMPZSA-N	495.025	5.774	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2cccc(F)c2)[C@H]3c2ccc(N(C)C)cc2)cc1	12599720	WZSLSMLGMYMSRQ-DIVIVVFHSA-N	496.630	6.395	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1Br	14406693	QWQIOLVCMAKSGP-RGEXLXHISA-N	456.336	5.115	10	40	JKCB	
O=[P@](c1ccccc1)([C@@H](c1cc(Br)ccc1O)N1CCCCC1)N1CCCCC1	16490955	VACSDOJFRUDLQZ-MUAVYFROSA-N	477.383	5.729	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3C)C(=S)N=C2O)o1	20130502	NMAYLTHNKAJSAM-GZTJUZNOSA-N	480.929	5.587	10	40	JKCB	
Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O	26786846	KZVZJCPSDAJGGR-UHFFFAOYSA-N	480.007	5.111	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2ccc(C(C)(C)C)cc2)SC1=S	27829274	YENNTQXKCUZSAY-JWGURIENSA-N	490.090	6.707	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1	32124600	YTORDNGMCRHFAM-HYARGMPZSA-N	478.620	6.456	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Br)ccc3OCc3cccc(F)c3)S2)cc1	33581469	ZPYYVRYUUVEKRK-XKZIYDEJSA-N	497.389	6.558	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	35386668	LQLSAGROPGFKCF-RGVLZGJSSA-N	471.410	5.759	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58846478	OCFFDPLGPVBBDB-VVZHRXSXSA-N	475.570	5.839	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	58847000	MEMPCQJDAZYPFW-LZCXECNNSA-N	464.562	5.852	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	59569646	DCXHUDGOYLHMAO-YIOBJHAYSA-N	466.622	5.059	10	40	JKCB	biogenic
Oc1c(-c2cc(/N=N\c3ccccc3)c3ccccc3c2O)cc(/N=N\c2ccccc2)c2ccccc12	100365785	JBSIFSXOVFONSA-SGRXOXICSA-N	494.554	9.902	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113833358	JKROKTKWFCCHBS-OEAKJJBVSA-N	471.563	6.004	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)nc1	223865786	SDZYGAQXOZZMGR-DQEYMECFSA-N	455.587	5.075	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1	224220310	WCYOVXAUDWFGGB-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(F)cc1	408578180	WMFVAGRGFAGSPP-STZFKDTASA-N	464.543	5.249	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCC(=O)OC(C)C	408601965	MKFFTRAGSQGIDX-VXLYETTFSA-N	477.991	5.085	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(-c2ccccc2)cc1	408635013	WMFOIVOZRTYQGC-ONUIUJJFSA-N	466.562	7.120	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCc1ccccc1	408801262	ULKZDAWTFNEHCU-VXLYETTFSA-N	497.334	5.247	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1C	408805404	JUWWCLFFTRKLLB-CIAFOILYSA-N	478.907	5.341	10	40	JKCB	
COc1ccc(Br)cc1[C@@H]1Nc2ccc3c(c2[C@@H]2C=CC[C@@H]21)C(=O)c1ccccc1C3=O	408862911	JHBPZOCWXLYTPC-ITNZAGEZSA-N	486.365	6.060	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408884246	WKAOJNAGJSBGHZ-BUVRLJJBSA-N	498.579	5.564	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)c2C)cc1	408969743	SVIHZRLLWUVELJ-JCMHNJIXSA-N	481.474	5.619	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1	408971917	LYHGYODGLNSAHH-MOSHPQCFSA-N	497.429	5.531	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1c(C)cc(C)cc1C	408993633	WWPQVHKGYCLMJG-HYARGMPZSA-N	486.593	5.031	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	409049672	XRFQKGZTTRLQKL-VGOFMYFVSA-N	467.736	5.410	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c(OC)c1	409106056	KODKUUWSISJWLV-LPYMAVHISA-N	494.569	5.501	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(C)C)C3=O)c2C)cc1	409125249	DPYLADLOUPFUDD-HMAPJEAMSA-N	454.592	5.743	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1	409125994	ANOMXKCQTRQSJK-BKUYFWCQSA-N	466.921	5.458	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)cc1Cl	409225057	JKVDWWARWYFCHM-YBEGLDIGSA-N	491.783	6.047	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	409239460	NLCPBANQIJAKNQ-YDZHTSKRSA-N	478.017	5.702	10	40	JKCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	843490	ZTQYUBZLFPVFND-UHFFFAOYSA-N	483.980	5.379	10	40	JKCB	
COc1ccc2c(c1)CCCN2Cn1nc(COc2ccc(C3CCCCC3)cc2)n(C)c1=S	2189775	CWHQXJNZPVTLLS-UHFFFAOYSA-N	478.662	5.997	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(C)c5C)c4C)C(=O)N=C3S2)c1	2408818	SIJQMVATVHVPFD-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3cc(Cl)cc([N+](=O)[O-])c3)OC2=O)cc1	3277845	DRVSZGZBIBVXDK-FSJBWODESA-N	461.905	5.619	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C)n1-c1ccc2c(c1)OCCO2	3361158	RSYWWDJBLHWYKN-UHFFFAOYSA-N	489.384	5.190	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=S	9934531	UZGFFKHASGWCQP-NBVRZTHBSA-N	485.392	6.207	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1	10112127	FYMVLDMCCAFICQ-UHFFFAOYSA-N	477.630	5.025	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(Cl)c1	16450089	BRHAFOHVFXDGDZ-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1	17270684	BLYNMJZKYBSFRZ-LJAQVGFWSA-N	471.645	5.461	10	40	JKCB	
O=[N+]([O-])c1ccc(/N=N/C(Sc2nnc(-c3ccc(Cl)cc3)o2)=C(\O)c2ccc(F)cc2)cc1	26532346	VLRILGUMFWWVAU-MNKCWKNRSA-N	497.895	7.198	10	40	JKCB	
CCc1cccc(C)c1Nc1ccc(Nc2c(C)cccc2CC)c2c1C(=O)c1ccccc1C2=O	33985960	NPJJGMRERPXCSE-UHFFFAOYSA-N	474.604	7.691	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C(=O)O)cc3)C(O)=NC2=S)cc1	59104173	UPJOBOCEKSBNKQ-PXLXIMEGSA-N	486.549	5.198	10	40	JKCB	
Cc1cc(/N=N/c2c(O)nc3ccccc3c2O)ccc1/N=N\c1ccc(C(=O)N(C)C)cc1	102491260	UUWOOGAKBOGZIN-JOKXDOCYSA-N	454.490	6.487	10	40	JKCB	
CCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(Cl)cc(Cl)c3O)C2=O)cc1	102762416	MKHNEAQWPHFKIP-QNWVGRARSA-N	499.350	5.149	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Cl	223384388	UGGFRFFLJBASNZ-IZZNHLLZSA-N	473.045	6.315	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O	223559371	NLYPUHQPFHUYRD-GNFOSXPUSA-N	459.590	5.416	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)C1	260740106	SOYADIMBGAWTGA-VXKWHMMOSA-N	475.727	7.263	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4)cc3)SC2=S)cc1	408575396	OCVBHLFQTQALGU-KQWNVCNZSA-N	490.606	5.509	10	40	JKCB	
CC(=O)c1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	408735529	RCKWQTJTWBVTLH-UHFFFAOYSA-N	456.505	6.936	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408882201	LSPGFGSSOPJMKP-NDENLUEZSA-N	492.984	5.067	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(Cl)c(Cl)c1	408969038	GCBBWPSTGLEZDC-WQRHYEAKSA-N	478.301	6.749	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	408986648	SAIDSGJFBGHOJP-XMHGGMMESA-N	491.341	6.227	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S	409047986	VLAONJJNWPJSLP-NHDPSOOVSA-N	451.573	5.455	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c3ccccc32)cc1	409096990	FNTPTQPYPRRJOG-ZVHZXABRSA-N	484.602	6.102	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)o2)ccc1Br	409143079	YWNNPEPUGNNPEK-UNOMPAQXSA-N	456.386	6.423	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	409149506	ILNZITBFLYVFBK-LDADJPATSA-N	468.340	5.063	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S	409202399	RWDHMXSHVFXKOK-SRZZPIQSSA-N	489.449	6.528	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S)c1cccs1	409328265	QXRCNTOMQRKTBW-XDHOZWIPSA-N	487.027	5.527	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)=O	409329130	CXAVEGHUHWIZCY-RQZCQDPDSA-N	453.463	5.045	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)SC2=S)c1	409333635	UYNRFDCRRHPVPK-LPYMAVHISA-N	467.612	6.532	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)ccc12	1614467814	AVOZBAFBLQKTAN-LMHHSUHVSA-N	462.634	5.236	10	40	JKCB	biogenic
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3c(C)cc(C)cc32)S1	2284912	QVNGECMRSGMOHQ-QJOMJCCJSA-N	453.654	6.568	10	40	JKCB	
CCOC(=O)[C@H]1CCCN(c2cc(Nc3ccccc3C)c3c4c(onc24)-c2ccccc2C3=O)C1	2323316	XMQKKJLBXLUHSJ-SFHVURJKSA-N	481.552	5.871	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)SC1=S	9066521	FYPZYOCKZQOICK-MOHJPFBDSA-N	491.682	6.720	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc5ccccc45)c4ccccc34)SC2=S)cc1	9730841	ZVNQZXCLBITPQD-QRQIAZFYSA-N	490.653	7.557	10	40	JKCB	
CCN(Cc1c(O)ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc12)C1CCCCC1	19791773	PXJGSCNUKJPYMO-UHFFFAOYSA-N	475.507	6.773	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccccc3-c3ccccc3)C2=O)cc1	20288295	UHWRLOSZEASDFR-HFTWOUSFSA-N	459.549	6.499	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	33760276	QUFPBSOSTXNWGK-XGCFFSCVSA-N	489.988	5.446	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc2C(C)=CC1(C)C	208521330	CMHLLBQLIGENCT-YBFXNURJSA-N	498.410	5.990	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C	223061234	BKGDQXCXDJJKGS-AZGAKELHSA-N	462.663	5.369	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352309	KYFQZZNHVJWVFG-JWQCQUIFSA-N	493.032	5.917	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224170497	LVTZIGZRZRSKES-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366410	IVJVIVNJNUHGNB-VMPREFPWSA-N	480.681	7.098	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1	224867770	IFNMPECPTSUJAR-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1O	225045216	MFYMHNNNUFYEKK-NSOVKSMOSA-N	497.668	5.669	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1C	260567839	MVTOKZXANLWHBO-SKCQWOFPSA-N	482.049	5.510	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3cccc(Br)c3)C2=O)cc1	408761547	FWVKKNJYIMVSLF-HYARGMPZSA-N	463.331	5.301	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2Cl)cc1	408802135	DJCGEDKKEKNBJR-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	408807936	IJMIVADEWHMKME-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
COc1cc(Br)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1	408868178	NVXFPOCKMNGXPW-UHFFFAOYSA-N	477.314	5.041	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409013280	UEXHVAOUMIKZKS-JCMHNJIXSA-N	463.990	5.311	10	40	JKCB	
CCCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2cc(C)ccc21	409038399	VEZIBDHCEUNKCD-GXDHUFHOSA-N	461.434	6.170	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)c(C)c1	409143651	DDZGGIDTDBGUJY-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1OC	409329293	DJIXOPSNKGBQOQ-WJDWOHSUSA-N	456.427	5.390	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12	2358970	FEFDUCJCJUVZHE-JXAWBTAJSA-N	457.942	5.320	10	40	JKCB	
FC(F)(F)c1cccc(N2CCN(C(=S)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)c1	2366560	VLVBAEFASQOLKT-UHFFFAOYSA-N	485.358	6.770	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1O	5317891	JXQJYEHDXZEKRY-GEFUHLBYSA-N	499.655	6.324	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	8453077	UXLOJYZEYMOEOD-RSPUHVBCSA-N	494.642	5.594	10	40	JKCB	
O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	8819043	UYZTWIOANXYXMZ-UWHDLEFDSA-N	477.394	5.372	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cccc(OCCOc3ccc(C)cc3)c2)SC1=S	9805399	GYVZFGMWXJDMLH-ULJHMMPZSA-N	477.607	5.867	10	40	JKCB	
CC(/C=C1\SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O)=C\c1ccccc1	12112425	QXYMHMQUAVMXEC-ONCFUAGWSA-N	486.618	5.758	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S1	13940173	SGMLNNQPDKUDQV-IDUWFGFVSA-N	455.750	5.332	10	40	JKCB	
Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3c2O)c2ccccc12	16779692	PFBLDFVYOPUCFS-UHFFFAOYSA-N	476.985	6.560	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c1	20324882	KUEFNNYZTBCMNP-NDENLUEZSA-N	472.056	7.248	10	40	JKCB	
CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1	21005751	AQERQBFQPYXCQW-VWLOTQADSA-N	456.521	5.231	10	40	JKCB	
CN(C)c1ccc([C@H]2S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1	32594785	LMYUTDWZABKBCH-DLBLZJNESA-N	455.410	6.879	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C(=O)N=C2S1	41083115	PGYZZBAXJCGYHX-FKODFALISA-N	474.611	6.783	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)c1	58846738	JERWZOQRVYVQLX-UZINWLIJSA-N	474.582	5.629	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1	58847999	RMYDHRVZRWZOBH-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(F)cc1	59134986	GQJWAJYWPOQXPP-MHWRWJLKSA-N	455.785	5.154	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)c2C)cc1C	59198341	HGKKUENDXQKSNS-WSDLNYQXSA-N	492.373	5.980	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21	223493922	NNPRJKCTPWWZJL-QRVIBDJDSA-N	450.579	6.473	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224187544	CSPIZASVHAFYBE-IZZNHLLZSA-N	482.609	5.453	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)nc1	224439183	JPAVFVXPBMANAO-DQEYMECFSA-N	457.578	5.509	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224568906	BNBFFWKNYNAXPE-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)c2)c1	408571858	CWZSXBFKPHBFDZ-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408631903	HCMUDLXHISTKKH-HZHRSRAPSA-N	494.617	5.109	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC(=S)N1c1ccc([N+](=O)[O-])cc1	408727341	PQPSXRQTASYJKI-MUFWOSLLSA-N	496.957	6.775	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(C(C)(C)C)c1O	408786576	SMZIFLODFFPBJG-GZTJUZNOSA-N	454.954	5.307	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408871476	YIOSKNAMOYZVHB-YUMHPJSZSA-N	484.596	5.592	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1	408984480	RLSOMSOTRUEQEC-XKZIYDEJSA-N	477.948	5.121	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(C)cc3)C2=O)cc1OC	409000241	NCNJBBDXCZOWJG-XSFVSMFZSA-N	488.996	6.715	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)NC2=S)c(C)c1	409126294	BMHDZJFQMQUZIV-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)C1=O	409139167	AUQQUECKGIVVEC-BUVRLJJBSA-N	497.016	6.009	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O	409250139	MLBAQBPSSMGINM-YZSQISJMSA-N	498.627	5.485	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1Cl	409251037	ZPCXKGCBBSZVDQ-GZTJUZNOSA-N	457.338	5.393	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1cccc(Cl)c1	409330623	LCWNHKFBHPSHOF-PXNMLYILSA-N	478.357	6.121	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O	409330928	MPPNHDHNACNYCG-DHRITJCHSA-N	491.678	6.577	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)cc1	409348297	SJUCWLJXHCODGY-JAIQZWGSSA-N	474.390	6.862	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)c2C)cc1	409349830	UZGURLGCIIGNAP-OYKKKHCWSA-N	489.597	5.395	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S	409370270	NYVWPPYYLZNOSB-WCSRMQSCSA-N	451.356	5.056	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	409374724	XPCDOZZCCSKGLJ-KGENOOAVSA-N	451.592	5.133	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	2532797	MUFOOBIWABCRTB-UHFFFAOYSA-N	497.334	5.594	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)SC1=S	2696806	UUPYQEAUWSMSDV-VKINRBECSA-N	493.673	7.096	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1	3362206	PAOQRMIIBWUTCZ-UHFFFAOYSA-N	492.522	6.095	10	40	JKCB	
CCN(CC)Cc1cc(C)c(O)c(/N=N/c2ccc(-c3ccc(N)c(OC)c3)cc2OC)c1C	5389840	TTXQYGQKRNBEHG-QVIHXGFCSA-N	462.594	6.533	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	9076114	UWRQOBHLDFNQBV-RNHFSVANSA-N	470.481	5.427	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1	9310340	BDIDPJNZFISLBO-UHFFFAOYSA-N	477.589	5.842	10	40	JKCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	14010550	ILMWEGZKROQEMF-WQRHYEAKSA-N	461.389	5.730	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1cccc(F)c1	16214799	QPOXUVDTMUHFSP-MOSHPQCFSA-N	462.502	5.085	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1	27019844	HCOUVNUAUZSFJP-DIBXZPPDSA-N	462.553	6.134	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	33403936	KDOZMFRBJFBZRC-LTQDZZRLSA-N	460.390	5.820	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)ccc1OCc1ccccc1	33436549	UAMDTVHVVGITSC-PCLIKHOPSA-N	491.634	6.074	10	40	JKCB	
N=C1/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	33622669	KXCAOPPIBCNCOL-BACOSTCQSA-N	464.616	6.410	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC(=S)N1Cc1ccccc1	33678406	GYWSHRXDDAVAIO-QRVIBDJDSA-N	461.564	5.396	10	40	JKCB	
COc1ccc(N2CCN3c4ccccc4C[C@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@H]3C2)cc1	36056329	YBTIOWHKOXIQEX-IXCJQBJRSA-N	487.003	5.009	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)N1CCc2ccccc21	44086217	PPJKWPDXWCVZDR-UHFFFAOYSA-N	494.414	5.635	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1cccc(F)c1	59135221	HAEBVFMUQSZGLO-VXLYETTFSA-N	498.869	5.713	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc21	208461131	SHNNOIVTTBVCTL-UUYOSTAYSA-N	479.577	5.441	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223013046	ATKBMJNMHWRCQH-FCHUYYIVSA-N	475.445	5.415	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223764439	YGPBSQJISUNGHE-IAPPQJPRSA-N	482.653	6.292	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC	408538629	ATGRLUVTDHOVFQ-XSFVSMFZSA-N	470.953	5.364	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1	408763245	RVOLBDOGHZZNCG-HYARGMPZSA-N	464.338	5.489	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1	408775655	JPQJTNSETQFAKO-XIEYBQDHSA-N	477.589	5.592	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)cc1Cl	408805954	CYJFUYUWJFHQIY-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3c(OCC)ccc4ccccc34)C2=O)cc1	408900486	SYYGNXFDOHZUIK-QJOMJCCJSA-N	458.514	5.084	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1ccccc1	409005573	FXLJGNFJEWIYRA-ODLFYWEKSA-N	478.433	5.648	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C(=O)N(c2ccccc2)C1=S	409018967	ZVSNSLPQYUTVMR-JJIBRWJFSA-N	471.626	5.665	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409021426	GTSCCTBHBNMTIL-IWIPYMOSSA-N	485.536	5.160	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022133	FULBVQPHLIDIRV-HAHDFKILSA-N	489.955	5.805	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c(OC)c2)SC1=S	409329997	JLYFEUZCMZLWET-SRZZPIQSSA-N	471.644	5.428	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)c1	409333657	VCLBNZCLHOCPAW-ODLFYWEKSA-N	456.932	6.222	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)c1ccc(Cl)cc1	409343380	GNNSRFJJXPUGAX-WOJGMQOQSA-N	475.378	5.800	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1Cc1ccccc1	409343508	HKGIPXDDSORAGW-BUVRLJJBSA-N	485.590	6.312	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	2102359	JUVWKLNEQWVVNU-JAXRZERZSA-N	492.660	5.458	10	40	JKCB	biogenic,in-vitro
Cc1ccccc1Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	2198477	OBWJLUBNKRNVNN-UCQKPKSFSA-N	469.928	5.318	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(O)=NC2=S)cc1	2399087	WKJPCAZMIRZLGY-PXLXIMEGSA-N	488.012	5.883	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccc(F)cc1	8452965	NGUOVUSGDWFZDI-BTGMWCQSSA-N	466.538	5.079	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	8818965	LWLLIJOYYCEJIL-DWKHYPNZSA-N	453.994	5.008	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(OC)c3)C2=O)cc1	8819838	FVDNRPQSSBLROT-QNGOZBTKSA-N	470.616	5.104	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(Cl)c1	8820147	UJIXRUZMCLZFRZ-UYRXBGFRSA-N	479.454	6.394	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccc(Cl)cc1	9030395	CEEAZBAQGRVGKG-MTJSOVHGSA-N	471.987	5.922	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c1	9293692	DYDBFBWRNGDYQV-MXRTVKJZSA-N	461.591	5.302	10	40	JKCB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	15947015	YLXAKEMYECZHST-QFIPXVFZSA-N	498.004	5.641	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1OCc1ccc(C)cc1	34690387	SYOLTXWFYKJXPD-JCMHNJIXSA-N	453.629	5.922	10	40	JKCB	
Cc1ccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c(C)c1	35146923	IZAAURRJEKRZTO-ZFLZBDSRSA-N	499.640	5.921	10	40	JKCB	
CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@@](C)(c4cc5ccccc5o4)C3=O)c2C)c1	69966673	VWMAMJIJSMBSKX-MHZLTWQESA-N	487.581	5.212	10	40	JKCB	
Cc1[nH]c2ccccc2c1CCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	95251911	GPYBCHQVUFQVBM-VBKFSLOCSA-N	469.492	5.067	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	224573710	OGWAYBKSXMUZLI-CLJLJLNGSA-N	469.614	5.378	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F	224899049	JWFSEBUFPUCRBB-UIOOFZCWSA-N	474.580	6.253	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(F)c1	225043842	CMSGJHVNHSVGTB-WUFINQPMSA-N	499.659	6.103	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)CC1	225779530	BAOWPZDDOQDXHA-NRFANRHFSA-N	463.021	6.646	10	40	JKCB	
COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1	408540783	VVWWHTGXZPNEAO-ZVHZXABRSA-N	493.606	5.351	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1ccc(F)cc1	408573839	KXYNCTLHBDMZME-HMAPJEAMSA-N	478.570	5.245	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)NC1=S	408811051	KXTFIELLNXXQLA-WOJGMQOQSA-N	467.953	5.026	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(Cl)c3)C2=O)cc1	408816344	RNOGCDJUGRKVMR-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)C2=O)cc1	408895837	FVBBOZYNRVHMNP-ULJHMMPZSA-N	488.515	5.250	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)S1	409025797	WVIZWIPKKABCKA-NHDPSOOVSA-N	471.365	5.832	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1O[C@H](C)CC	409036957	CBHQESAVRPCYDS-ZECSTPGPSA-N	468.422	5.764	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409062312	ROJNDVVKMXZHSH-UUYOSTAYSA-N	454.998	5.775	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409098966	RQFIHNCLLIJLPM-HYARGMPZSA-N	478.570	5.883	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	409237313	HYUTYJVNZYTABF-MHWRWJLKSA-N	488.371	5.371	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)c1	409243190	QECWJBBKRJLTSP-IWIPYMOSSA-N	467.500	5.112	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(Br)c1OC	409328821	BEJPLOMMUFIOEP-GZTJUZNOSA-N	480.405	5.271	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)c1	409345714	JDCMEMGOMWGJSJ-FSJBWODESA-N	461.564	5.709	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)SC1=S	409376367	AGQUYWRXAJZBEQ-SXGWCWSVSA-N	486.815	6.042	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C)c(C)n1-c1ccc(OC(F)F)cc1	3355817	BFTHAHMXHZTDHI-UHFFFAOYSA-N	474.558	5.528	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1	8437723	BMZIGOMIQQVBJO-UCQKPKSFSA-N	478.545	5.646	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1	8819807	KFGDBYLSHLEKGP-UCQKPKSFSA-N	482.715	5.842	10	40	JKCB	
O=S(=O)(Nc1cc(-c2c(O)ccc3ccccc23)c(O)c2ccccc12)c1ccc2ccccc2c1	8871911	MIGUZJSYMQXXFS-UHFFFAOYSA-N	491.568	7.025	10	40	JKCB	
O=C(CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1	8874177	LCSNHNZXOMFBAN-UHFFFAOYSA-N	479.963	5.953	10	40	JKCB	
Cc1ccc2c(c1)N1[C@@H](C(=O)c3ccccc3)[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]1C=C2	8918027	HVPZVBCCFCMKRP-DYIKCSJPSA-N	495.578	6.311	10	40	JKCB	biogenic
O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	12360367	BCFXODBGZDNGEO-YBFXNURJSA-N	456.386	5.670	10	40	JKCB	
Cc1ccc2nc(C)cc(C(=O)O[C@H](C)C(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c2c1	12635050	KSTODWXJHCCLMY-LJQANCHMSA-N	492.522	6.289	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(O)=NC2=S)cc1	13785945	LYLMIHKZXRFOET-PDGQHHTCSA-N	497.916	5.579	10	40	JKCB	
Oc1cc2c(cc1[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c3ccccc3)CC1)OCO2	25561807	AVYRXVINWBKIRM-DEOSSOPVSA-N	456.464	5.051	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)c(Br)cc1OCc1cccc(C)c1	33385413	CQTKDSLWGZUZGT-JAIQZWGSSA-N	492.460	5.956	10	40	JKCB	
CC[n+]1c(/C=C2/C=C(/C=C/c3ccc(N(C)C)cc3)CC(C)(C)C2)sc2ccc3ccccc3c21	39440327	BRDULCUPUVBNPX-UHFFFAOYSA-N	479.713	8.271	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	40567534	CWRAKNDVGNHLQM-CIKBWMHTSA-N	488.439	5.661	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	58846977	XDGWLCTZKPGBIP-XLNZFTOWSA-N	499.405	6.216	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)c1	83327747	GXOGVDYYRUEORB-FYJGNVAPSA-N	464.880	5.873	10	40	JKCB	
CCOc1cc(N(CC)CC)ccc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C	96193293	HBGRCHRCSPTWRJ-UNOMPAQXSA-N	455.942	5.089	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422896	AKHPCOAASKZVKZ-YDZHTSKRSA-N	490.650	5.928	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	223796502	JKDLILMSXDCDEO-FQLXRVMXSA-N	496.680	6.627	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(F)cc1	223895677	KSWWATJHSXRUAB-SXOMAYOGSA-N	485.632	5.871	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c(OC)c1	224824034	MSFUGUMIPAWYRS-CLJLJLNGSA-N	470.598	5.375	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020600	KUIBZQIAJYCNCR-XNMGPUDCSA-N	458.675	6.275	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1)c1ccc(F)cc1	408726979	WOTUCHMNKRUOSQ-MOSHPQCFSA-N	480.498	5.359	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3c(C)ccc4ccccc34)cc2)C1=O	408808688	QUVNKFDJTWCNRK-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2ccc(Br)cc2)N1c1ccc(Br)cc1	408843130	QKAXCDLBKXUGAO-LDADJPATSA-N	488.204	6.108	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3c(Br)c(C)n(-c4ccccc4)c3C)C2=O)c1	408901131	WAVJEJOXQXWYNN-FYJGNVAPSA-N	492.373	5.140	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c12	409127014	IMDQFHVZKPIKMW-FPJJECCMSA-N	483.703	5.462	10	40	JKCB	
COCCN1C(=O)[C@H](Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)SC1=S	409149835	RZJVIOAIPXMMAX-KRWDZBQOSA-N	474.406	5.129	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409348612	PEIHBUONSABERR-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(N(C)C)cc1	1764824	QRAXGASPCIUCKX-LJAQVGFWSA-N	458.646	6.501	10	40	JKCB	biogenic
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cc(C)cc(C)c5)c4C)C(=O)N=C3S2)c1	2244758	YOUBTFVGNFMYAI-LXROFQDBSA-N	467.598	5.687	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	2381902	VWEOZURNEMTWJL-ZPWPBLDLSA-N	496.009	5.946	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	2688745	DMRBMPOBFOXPHB-UAAGNOOKSA-N	460.407	7.216	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1Cl	9335012	ZTXCGICZQXSWGY-STZFKDTASA-N	481.777	6.488	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)ccc2OCc2ccccc2F)SC1=S	12464897	STXDWXGNJOOIMK-UCQKPKSFSA-N	465.571	6.128	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([C@@H](C)CC)cc4)C3=O)o2)cc1	13687847	UYAYEWVCXVVTNE-HEQHKCQXSA-N	486.524	5.303	10	40	JKCB	
C[C@H](Oc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1)c1ccccc1	13786014	KQEHYYIPFHTDAE-QLWIJECQSA-N	451.551	6.131	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccccc1Cl	16479713	ABRNRGYRWPCICL-STZFKDTASA-N	465.983	5.961	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccc(F)cc2)cc1	20288576	QLGXCENEFLSZHA-KQWNVCNZSA-N	472.545	5.259	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	34377800	SNMIGBVQQMYHFL-WUXVYIAASA-N	499.596	5.087	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC	41078525	FIQFFAMZRLGGPE-YOBKVOCRSA-N	475.545	5.117	10	40	JKCB	
O=[N+]([O-])c1ccc(COc2ccc([C@@H]3Nc4c(cccc4C(F)(F)F)[C@@H]4C=CC[C@@H]43)cc2)cc1	58928633	GMHVUBWJADEVDK-DPLHUUCSSA-N	466.459	7.019	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)SC2=S)cc1	113833053	NUZSJVREFAGAFV-HYARGMPZSA-N	450.585	5.517	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	223309447	XEDXPUZUWVOZRF-OYDLWJJNSA-N	467.038	5.294	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(O)cc1	224015428	LDDBETIPWRYHAI-FTJBHMTQSA-N	484.581	5.101	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224398050	DDINZKWMUBSGRE-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224622834	VATRDQZMBZGDKK-CLJLJLNGSA-N	498.608	5.158	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)N21	260772337	NJYRCDLQUFTRGJ-VSDWSMLSSA-N	470.564	6.487	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1	408889556	FFKCUKUURKFUSJ-OEAKJJBVSA-N	488.971	5.819	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	408902706	QFQDMALZWXGZPZ-PCLIKHOPSA-N	497.392	6.987	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl	409043250	DLRPLYUVCYAVTA-BJMVGYQFSA-N	479.232	6.284	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c1	409101041	OWBFSYJYNNVGRV-FYJGNVAPSA-N	481.982	6.023	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1Br	409350699	YLSYRCFVIUBVOM-IUXPMGMMSA-N	486.815	6.435	10	40	JKCB	
CCN(CC)c1ccc(CN(CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1	1706401	UESJKJPQJYLSQP-UHFFFAOYSA-N	455.429	6.725	10	40	JKCB	
O=c1c(Oc2ccc3ccccc3c2)c(C(F)(F)F)oc2c(CN3CCCCCC3)c(O)ccc12	1771787	UJEDRMYFMVOPQL-UHFFFAOYSA-N	483.486	6.839	10	40	JKCB	
Cc1oc2ccc(O)c(CN(C)C3CCN(C)CC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	8717865	RETLMZFEIXKONJ-UHFFFAOYSA-N	475.511	5.244	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nc2ccccc2s1	8819732	KKIHQNCTIOISON-CYVLTUHYSA-N	467.641	5.697	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(C(C)(C)C)cc4)S3)CC2)cc1Cl	9086439	RYFOBWRXTJQVKR-PXLXIMEGSA-N	454.039	5.738	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9307298	ZSZREAJWOLXWEF-WOIBEVDJSA-N	467.598	5.518	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)c(Br)c1	9730651	HRHZGUJZXFWETB-TTZSUPAZSA-N	483.269	5.199	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc2c(c1)OCO2	13148450	DSIRYIDBIMPOQA-UHFFFAOYSA-N	467.521	5.458	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16000565	XHKPDCUZMCTPBC-GSDHBNRESA-N	496.006	6.389	10	40	JKCB	
Oc1ccc2ccccc2c1[C@@H]1O[C@H](c2ccccc2)[C@H]2CO[C@H](c3c(O)ccc4ccccc34)N12	31946912	SICXCYIEZLITKY-FFYRRMKRSA-N	475.544	6.574	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC=C(c3ccccc3)N12	32969726	DJQMGTAEMZAEQN-VKRJAPGXSA-N	479.586	6.888	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl	33337761	INAOHXJIHUKXRZ-LSCVHKIXSA-N	498.409	5.257	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(Cl)c3)S2)cc1	33734870	MEVYWIQIHKDHMY-HMAPJEAMSA-N	499.013	5.807	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1	41108226	LNARKAKRLYUTKR-BPOWYZMYSA-N	457.534	5.209	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847816	IYGXLQPMAWPTDK-SGIRGMQISA-N	485.436	6.929	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58847901	NAAZAFCUICYQNH-ATLLOTDBSA-N	485.436	6.929	10	40	JKCB	
COc1cc(OC)c(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1OC	95480812	CDNWPGRJVBQRTF-UHFFFAOYSA-N	491.500	5.255	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccccc1Cl	97999115	UTWUYAJFEPGKKH-RHLNUJDMSA-N	476.019	5.308	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222878812	BGICOTZBAJVHQJ-YADHBBJMSA-N	459.446	6.178	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224523441	NXZLBNLRRQKCKP-LOSJGSFVSA-N	455.587	5.070	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1	224856022	YEAFLHVOZRQEHQ-CLJLJLNGSA-N	470.598	5.375	10	40	JKCB	
Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1	225696377	GESTUXHTPWPNGC-NSOVKSMOSA-N	495.652	5.490	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O)NCc1ccccc1	408571252	ARQULMHBIZZVTL-HMAPJEAMSA-N	495.025	5.441	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)o1	408630692	AHFMBXPWKGXQGF-MTJSOVHGSA-N	481.961	6.024	10	40	JKCB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1C	408638621	CTNLCAQUMNBHAV-QFIPXVFZSA-N	450.538	6.241	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1	408756611	SUIJIBOJRJRPTK-RGVLZGJSSA-N	462.163	7.135	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1	408853067	YIODTGFJHGGGSG-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccccc2Cl)c1	408887769	TZHNJKLEYMIDHS-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1	408936556	GNOFAQFZCCQNJG-HYARGMPZSA-N	493.332	5.609	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1	409096628	LNHQSRLLGPOXSZ-DEDYPNTBSA-N	496.394	6.191	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2)cc1	409227852	RZZYIDBBWKGCIU-QGOAFFKASA-N	483.376	6.119	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O	409236949	ILURRBSFZYSMIJ-HMMYKYKNSA-N	478.957	5.556	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	1805123	YISTWVWBROCIRX-ATVHPVEESA-N	480.405	5.555	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3291526	FBINVTWAVLUZSE-UHFFFAOYSA-N	483.389	5.634	10	40	JKCB	
Cc1cccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C\c4ccccc4)SC3=S)s2)c1	6886355	MTMATHVXUPBIHD-RCCKNPSSSA-N	493.679	5.662	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(OCC)c3)C(=O)N=C2S1	8452962	DWYIQDSGJGBCIN-HACRSSKKSA-N	466.538	5.223	10	40	JKCB	
COC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Br	9232247	UOMGJRVTTGBKQA-VCHYOVAHSA-N	492.416	5.024	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc12	9319517	IUWWTJGSLPGPTR-CQSZACIVSA-N	451.906	5.300	10	40	JKCB	biogenic
COc1ccc(Br)cc1[C@@H]1Nc2c(F)cc(Br)cc2[C@H]2C=CC[C@@H]21	9763515	VKZZRLANCOJLOD-ZJNRKIDTSA-N	453.149	6.186	10	40	JKCB	
COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	16000656	LLHHOLOFRVTWOU-IARZGTGTSA-N	493.559	5.035	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(CC)cc1	33430127	GHTANGQVYYMIAJ-QNGOZBTKSA-N	492.062	5.980	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850184	WLCBZRZUMLFPFF-ANSQWYIGSA-N	483.008	6.669	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)cc1	108241738	RBSKGGDKEMFPFF-BUVRLJJBSA-N	457.599	5.105	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S)c1ccccc1	206293000	PJLBLLNALIMKPH-KGENOOAVSA-N	480.998	5.465	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3ccc(Br)cc3)=NC1=O)[C@@H](C)CC(C)(C)N2C	208233205	LNRHJNUUYBZYHV-RANIVTSPSA-N	484.463	6.562	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C	208511472	UTBIZHKLUGHAGU-UUYOSTAYSA-N	496.032	6.037	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223459360	JIZGCXZNDYMGTG-KAYWLYCHSA-N	467.642	5.619	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223767300	VSPZWFGSUATLFC-XRKRLSELSA-N	496.680	6.546	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223865538	YJGKFECRLBQCOE-ZEQRLZLVSA-N	455.587	5.075	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224236964	XRKJDUDQNQJAQN-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
O=C(Oc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1	408736626	XVWFFUHVCKMYIJ-WWDWLDGVSA-N	459.545	7.525	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1OC	408763447	FFWVIRHQZBQZIZ-FYJGNVAPSA-N	477.358	5.609	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)c1	408777727	HCPNCUAFUSUDSL-OEAKJJBVSA-N	467.500	5.112	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2cc(C)cc(C)c2)c1	408883187	RVRGNGMDUAZCRU-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C	408968226	UVPFFUMRNQHSIC-IWIPYMOSSA-N	473.598	5.640	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3C)C2=O)cc1	408987885	ZMCNLZIBUBWJMS-HMMYKYKNSA-N	450.365	7.172	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)S1	409079806	MBCZIIYUUJJQNN-FZSIALSZSA-N	490.195	5.986	10	40	JKCB	
Cc1cccc(Cn2c(C)c(/C=C3/SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c3ccccc32)c1	409103734	FIEJAHWGDDGPFH-MFKUBSTISA-N	498.629	6.410	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cc2)c1	409179676	SIDDEMJWWZNYOE-WSDLNYQXSA-N	469.990	6.772	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S	409370534	SKJDUCKTLXRJIX-WOJGMQOQSA-N	493.441	5.532	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1OCc1ccccc1	2310720	IKGRTVINUHOAHM-UQQQWYQISA-N	490.028	5.712	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1	2317781	WJXLXXAWZQDLRQ-PXLXIMEGSA-N	456.011	5.230	10	40	JKCB	
CSc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1	2512773	JBUWUDZCNYBLPF-HXUWFJFHSA-N	488.450	7.541	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(Cl)cc2Cl)C1=O)=C\c1ccccc1	8820622	SOZCDDZBFYRZII-LDFNIPPCSA-N	463.411	5.780	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	8821286	AOCQGXQZNHQYMP-YNGKYYQNSA-N	476.019	5.764	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	8821378	XAHQFUURMJHBEY-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCc1ccccc1Cl	9007911	TYWIKXKKBAVMHV-XSBGCYDXSA-N	482.993	5.593	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	9158027	RWOKWKJJNQQBAZ-DMNVVODESA-N	453.999	5.947	10	40	JKCB	
Cc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1	9243009	HCXOCEYHWXHCAH-OZNIXHKMSA-N	489.615	6.352	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1	9323224	UJQXRGAUJDUGLY-LDADJPATSA-N	464.631	5.435	10	40	JKCB	
O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)N1CCCCCC1	20059414	HJSJHTOBYFQEFZ-NHFJDJAPSA-N	475.592	6.263	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(F)cc23)cc1	20288841	WUUPZELBSFIIIQ-ITYLOYPMSA-N	468.532	5.173	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	35040020	CAHZLOQVNUPQBP-HMAPJEAMSA-N	480.567	5.616	10	40	JKCB	
O=C1/C(=C\c2ccc(O)c(Br)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	59417937	RSECMZDIKNHUDN-VGOFMYFVSA-N	460.296	5.579	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Br)cc1	100233043	WODNHDSRHMKNNL-HYARGMPZSA-N	477.358	5.843	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc2ccccc12	113833937	VBFSUPYQVZZOFY-LFVJCYFKSA-N	499.364	5.643	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cc(Cl)ccc4C)=NC3=O)cc21	208473684	MJGLFWWOSFSQGZ-NKVSQWTQSA-N	472.441	7.016	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Br)c1	222615679	AVMYULCMUUABPP-RXYZOABWSA-N	467.436	5.841	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223392128	GPMHGKOIGSXBAW-YTMVLYRLSA-N	480.681	6.533	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224237272	RMLGKKUFBKIPTC-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224239399	NJNRTEZBWHGDEU-LMSSTIIKSA-N	480.681	6.900	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224300457	DHMMZZCDZUVICS-RRPNLBNLSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224434654	NSPGZSDXDJLYME-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408755409	URXIVKBCWDBNKX-SFQUDFHCSA-N	485.384	5.025	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2sc3ccccc3c2Cl)cc1	408764290	QZHDCGBRYKNYOM-XDHOZWIPSA-N	472.953	6.426	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)c1	408764375	MOGDEPTUYKPSQC-XSFVSMFZSA-N	460.942	6.103	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1C	408800089	KIIIRTYIKPHALU-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1C	408804615	BCPNFPMBOQSBGK-XKPNYFFISA-N	498.716	7.765	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1Cc1cccc(F)c1	408882578	RFLUCKMIIRPOLU-DEDYPNTBSA-N	478.907	5.053	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c1	409017207	FFIKPZSHMGKHEW-UDWIEESQSA-N	450.947	5.357	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409055647	ABJDROFVIKSMDH-YUMHPJSZSA-N	468.597	6.205	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409056223	FUDTUWJHCQPCCN-JLPGSUDCSA-N	474.988	6.323	10	40	JKCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O	409245792	ZEBCOMZCMDMGCD-XDHOZWIPSA-N	463.397	5.238	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409347005	PIGJXNVTZXCFGI-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4OCc4ccccc4)S3)CC2)cc1	2293742	UKUXRAWBFAOETP-XHPQRKPJSA-N	469.610	5.367	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	8821397	HUXCRYOHMIJELU-IWIPYMOSSA-N	496.053	6.896	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1	8821769	LSVHSGGOQMIHCD-BWAHOGKJSA-N	490.028	5.712	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4OC)c4ccccc34)C(=O)N=C2S1	8837026	YNGMVVHIYALHFF-HJLDNAKXSA-N	487.585	5.148	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9087738	PHWPQTSGZBHLSB-DSITVLBTSA-N	477.541	5.657	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)cc1	9144624	FFZKGDFRPJIBLF-ZSEUTSBQSA-N	488.613	5.652	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c2C)cc1	9157900	WLLJACWVOLSHRG-UHFFFAOYSA-N	473.602	5.456	10	40	JKCB	
CCN(CC)c1ccc2c(c1)OC1=N[C@@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)C1=C2	9360231	AZPIXJNEGGINRL-RUZDIDTESA-N	454.961	6.428	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)cc1Cl	9849681	FSRVWLAHMFMUAP-ODLFYWEKSA-N	455.944	6.012	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(Br)c1O	32099617	WMCZMJAOOMDDTJ-QPEQYQDCSA-N	489.675	5.555	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	33160868	QEVWWRHVOPHOHC-CPNJWEJPSA-N	474.329	6.573	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58847080	ZKEVKKYHBUYJGJ-GLDPYIMESA-N	454.954	6.106	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847630	KNUXQJQCEFPZCP-OSWQYVSFSA-N	485.436	6.929	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)cc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847821	HBIXWUQLYNHIJN-VRUMLPLGSA-N	499.463	7.238	10	40	JKCB	
O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1	59418670	YARNMNZYXJSRFF-PFBMLKJHSA-N	489.962	6.849	10	40	JKCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCC(c1ccccc1)c1ccccc1	103918205	NEAOEUVWWLRCBU-IADYIPOJSA-N	467.613	6.284	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	223443728	DXVQPMZVLFHSCG-UIOOFZCWSA-N	454.599	5.362	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	223726493	PHDBDBHPEKBJLT-CLJLJLNGSA-N	476.646	5.032	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224187737	NGWURNSFHQHXEG-FTJBHMTQSA-N	482.609	5.453	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1C	224606617	KGQZORNFYOWPQX-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1cccc(F)c1	408742200	NWBWWWPOXKEAAV-UDWIEESQSA-N	495.344	6.547	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)S2)cc1	408783363	ODWYRDGZCNFHHY-NIQJEMAJSA-N	472.441	6.563	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)C1=O	408811924	WNQPSOIONCMXEW-HZHRSRAPSA-N	496.950	6.047	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408888563	XDOZVVYKVHCBTC-LDADJPATSA-N	467.308	5.239	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	408894885	SBRWLXUMUCJEEB-STZFKDTASA-N	478.342	5.575	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1	408901840	HTGGBOMWWLWJJL-UDWIEESQSA-N	481.777	6.488	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C	408960381	LHBCRUYNPRRMBI-FMCGGJTJSA-N	482.411	6.365	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(C(F)(F)F)=NN1c1ccccc1	408972697	QSGDXYQOIBOPLR-STZFKDTASA-N	456.851	6.268	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCc2ccc(Cl)cc2)=N1	408989755	LXGKJSANCYIRRM-RUZDIDTESA-N	491.060	6.252	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409130349	HIRTWPRMPWAYRO-UUYOSTAYSA-N	468.579	5.295	10	40	JKCB	
Cc1ccc(N2C(=O)S/C(=C\c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)cc1	409145686	QQXQDNVJBAKFSP-XKZIYDEJSA-N	481.415	6.714	10	40	JKCB	
COCCN1C(=O)[C@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC1=S	409145800	PTIAJUYUDVXIIS-KRWDZBQOSA-N	474.406	5.129	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)o1	409163130	MFGLTNGETVSCPN-JAIQZWGSSA-N	498.354	5.952	10	40	JKCB	
CCn1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc21	409183471	SPXYBRGJUCRYGU-FBHDLOMBSA-N	465.644	5.110	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)c1	409232104	NBQNDZHVDLYHIB-UDWIEESQSA-N	454.357	5.802	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1Cl	409341317	BAABWNUFWKQSPO-MFKUBSTISA-N	489.065	7.053	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c1	409347348	PNRSMWDXLKDUCD-VCHYOVAHSA-N	486.914	5.612	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1	1163056	RCGLTMAOXDHIIB-HZHRSRAPSA-N	471.469	5.243	10	40	JKCB	
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N(Cc1ccccc1)c1ccccc1	3332811	PWHQDOYOQMNEPS-VHEBQXMUSA-N	461.590	6.847	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(C)n1-c1ccc2c(c1)OCO2	3432877	NDDREOREZAIZOJ-UHFFFAOYSA-N	496.932	5.760	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)c1	6456167	RBEHJUGVUCHMHM-ZIGUYJKXSA-N	467.476	5.179	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3c(C)n(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	8407957	GTNGYGZOZZLBBL-WOIBEVDJSA-N	485.613	5.756	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)c(OCC)c3)C(=O)N=C2S1	8453037	BFUJZPKLMVPDEM-MAHHVUEUSA-N	462.575	5.645	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	8783597	JUVWKLNEQWVVNU-RLWANCEXSA-N	492.660	5.458	10	40	JKCB	biogenic,in-vitro
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3)C2=O)cc1OC	8819919	HZTOZUZOCDGEBE-JWGURIENSA-N	484.643	5.413	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	9233839	MWWLXAUYUCNWSA-ZMXGXFJXSA-N	469.998	5.421	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	9293708	QDBGCRGKIZTVAD-UKHUTJJTSA-N	489.645	6.082	10	40	JKCB	
O=[N+]([O-])c1ccc(/N=N/c2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccc(O)cc2)cc1	16488079	BNWIQRQLFNGCTK-QVIHXGFCSA-N	493.548	8.309	10	40	JKCB	
CCN(CC)c1ccc(CN(C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c2ccccn2)cc1	28580692	BJQCLKRISWMZPC-UHFFFAOYSA-N	455.558	5.498	10	40	JKCB	
CC(C)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)o2)c([N+](=O)[O-])c1	41074395	VEUCEKCBBOXMEB-KAOSRWAPSA-N	477.424	5.160	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1OC	58850134	XLVYPVJGGBBGSX-DFIYOIEZSA-N	462.571	5.331	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)SC2=S)c1	96305834	SJZVOMARQCTRIM-SSDVNMTOSA-N	491.546	5.098	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	107767003	AOYYWHLTFCINJT-DIBXZPPDSA-N	475.544	6.296	10	40	JKCB	
CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O	208262246	MJNDIBXMHDBDBA-VFJJTOLMSA-N	450.988	5.050	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223013112	ATKBMJNMHWRCQH-FGZHOGPDSA-N	475.445	5.415	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c(C)c1	223102451	ZHNCHZWGSGRELR-IAPPQJPRSA-N	472.702	6.720	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223350289	VITRUQCWTAASGZ-CLJLJLNGSA-N	456.615	5.872	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224235655	GEFDYZPPPVKCOC-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224434488	MYMPKPZFOBSFCU-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)n1-c1ccccc1	224514870	KTZYUKHFMVNUSE-RPWUZVMVSA-N	489.442	6.120	10	40	JKCB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1	408577408	SKXMBPFMXZJKIH-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccc(Br)cc5)c4C)c(=O)n3c2cc1C	408741130	OCVWPXRATQNKSG-WSDLNYQXSA-N	478.415	5.244	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(Br)c3)C2=O)cc1	408767340	ZJKLFJJPTIAKDH-HZHRSRAPSA-N	461.359	5.991	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1	408779911	NKXCDAPRZKBPTC-VXLYETTFSA-N	499.325	5.686	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(CC)C(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409017422	WMUSPLRGGDQOCH-LFVJCYFKSA-N	492.044	5.874	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	409043016	PDNBMQGETVXBTL-VZUCSPMQSA-N	474.127	5.365	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)c(C)c1	409122654	ARCIWXZPFZPVDV-LDADJPATSA-N	470.472	5.414	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC)C3=O)cn(Cc3ccc(Br)cc3)c12	409147963	NWGCTACGKRDHFF-NDENLUEZSA-N	485.472	6.236	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2)cc1	409244434	CQJYMXHNMGUJDY-PXLXIMEGSA-N	458.608	5.594	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccncc4)c(OC)c3)SC2=S)cc1	409328745	AOXVVQRLPUKCDI-HZHRSRAPSA-N	478.595	5.474	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OCC	409341931	CIQUXUWQNBONQL-BKUYFWCQSA-N	478.035	6.332	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CN(C)C[C@H]3CCCN4CCCC[C@@H]34)cc12	1565519482	AXTNJCUAEQQRPL-KCWPFWIISA-N	474.645	5.403	10	40	JKCB	biogenic
CCCN(CCC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc12	1913313	AZHNGGRNYRKZTN-UHFFFAOYSA-N	479.495	5.824	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2433194	HRCYYOSZZCDMHA-NHKHRBQYSA-N	499.541	6.142	10	40	JKCB	
CC(C)=CCN(c1ccc(CCC(C)(C)C)cc1)C1CCN(Cc2ccc(N(C)C)cc2)CC1	3941731	DGAZXKNFOZWANF-UHFFFAOYSA-N	461.738	7.169	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2C)cc1	8451385	ACRFSBUVLOLWFD-MSYYJCCKSA-N	467.598	5.632	10	40	JKCB	
COc1ccccc1NC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	8820553	HWYZDGSMZKOZCW-AMQBKCJUSA-N	452.601	5.262	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(Cl)cc1Cl	9189236	RRVSFQLJSCMPLB-ZDLGFXPLSA-N	452.794	5.439	10	40	JKCB	
CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	9260596	CGRQGTDVPZDGKJ-XMMPIXPASA-N	456.933	5.596	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1	9375495	NNHBTIWCCWZWEL-LHLOQNFPSA-N	471.626	5.811	10	40	JKCB	
Cc1cc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1	12593311	BBYWVYYTGNHBQZ-UHFFFAOYSA-N	461.569	5.314	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC=C(c3ccccc3)N12	13283994	NNAXRRRDTHYLCE-ODUHAEHHSA-N	460.562	5.994	10	40	JKCB	
N=C1/C(=C\c2ccc(Br)cc2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	13881225	PFTLNZWGXWLKHM-WYFURAACSA-N	469.408	5.285	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4c(C)cccc4C)cc3)C(=O)N=C2S1	13899143	SFJMFVPHZKCGCU-FWMAWXJYSA-N	476.602	5.571	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)cc2)c1	27549288	IMQHKIIWRAPEGF-SUJAKXCHSA-N	496.592	5.315	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	27835338	VROHENMMSQIJJG-UHSBVEPQSA-N	493.567	5.805	10	40	JKCB	
COc1cc2c(cc1OC)CN(Cc1c(O)ccc3c(=O)c(-c4ccccc4)c(C)oc13)CC2	32855935	APPWQTKTUHZAEA-UHFFFAOYSA-N	457.526	5.050	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)S2)cc1	34806522	VSSYPZZFVLAXLP-XKZIYDEJSA-N	452.938	6.449	10	40	JKCB	
Cc1ccc(N[C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)c2ccc(N(C)C)cc2)cc1	104827685	AXUBRCHSXRUNBT-HSZRJFAPSA-N	455.558	5.045	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	106685291	SZVPTKHSRIBLCK-MTJSOVHGSA-N	466.946	5.682	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	209534639	ACFXGTMSUGNNOQ-MFKUBSTISA-N	472.997	7.137	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1ccc(Cl)cc1Cl	223620009	XJXGPCCWAPISRZ-FCHUYYIVSA-N	475.445	5.151	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437285	UWQCDYJMDDHOON-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224609913	COUUIPIXYPYIKA-ZEQRLZLVSA-N	455.587	5.075	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1F	224899469	SHPGNDDVEQMOHY-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)on1	257315312	VATHVELRIOMOMP-BQYQJAHWSA-N	459.638	5.696	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260921091	OHTWWPJNXHZIHW-IZZNHLLZSA-N	470.642	5.899	10	40	JKCB	
COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408572791	IKNUCAZDTYBXOB-HMAPJEAMSA-N	476.579	5.119	10	40	JKCB	
Cc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(C)n1-c1ccc(C2CCCCC2)cc1	408735784	XOQNXBYMNJXNRV-UHFFFAOYSA-N	457.643	7.398	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C	408755970	GPBJFSRQCZBDFI-BUVRLJJBSA-N	499.412	6.519	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)c(OC)c1	408766978	UOGQEQVJXFLAJK-FYJGNVAPSA-N	481.321	5.440	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cc(C)cc(C)c3)C2=O)cc1	408878061	ZGKGTMLVXMGYQW-PCLIKHOPSA-N	488.971	5.613	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Cl	409067904	DRGHAUDBFRLBJJ-JXCQQFQQSA-N	463.386	5.310	10	40	JKCB	
CCCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OCC	409082577	RXMNGKCHULDPBC-JWGURIENSA-N	460.961	6.362	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)ccc1O	409105477	HWUCPYPPRGZBTB-LPYMAVHISA-N	494.569	5.588	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C(=O)NC1=S	409167394	JLUUWEKKLGCZSM-CJLVFECKSA-N	487.625	5.232	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC(C)C	409177779	INNKWNFXINJHKY-OCKHKDLRSA-N	451.972	5.928	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)c2ccccc21	409204715	IPZRXDJTFCTJDC-LGUFXXKBSA-N	450.582	6.535	10	40	JKCB	
CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c3ccccc32)CC1	409207049	ZMQXPXHGBSEEKY-ZXVVBBHZSA-N	475.592	6.119	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1	409241090	RAFKNDGFMFTGFB-CIAFOILYSA-N	483.515	5.253	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409329235	CNXFBIOUILHHGL-SSDVNMTOSA-N	492.534	5.308	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409342342	BRJZCWNNFULRPR-HYARGMPZSA-N	488.461	7.731	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1O[C@H](C)CC	409345084	JRIFGLGQCCFAIH-VPNURPJOSA-N	457.573	5.397	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)o2)ccc1Cl	409351080	ZEHJNWOYPCCWLW-NDENLUEZSA-N	469.971	6.101	10	40	JKCB	
CCn1c2ccccc2c2nnc(SCC(=O)c3cc(C)n(-c4ccc5c(c4)OCCO5)c3C)nc21	3406681	AYQNJLJDNJOOBZ-UHFFFAOYSA-N	499.596	5.153	10	40	JKCB	
Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)N1CCC(C)CC1	6443155	LWCBMUCZLAVMJT-UHFFFAOYSA-N	494.636	5.295	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1	8821754	WTRXXAJWZNMSJH-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	8872524	JWQDTPPDWZQQML-MOSHPQCFSA-N	450.922	5.213	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	8872526	UEINHXUITDJRBS-UUYOSTAYSA-N	450.922	5.213	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(C)c(C)c5)c4C)C(=O)N=C3S2)c1	9291463	OUHMYTNBRRFEBH-WNGCWRAYSA-N	467.598	5.687	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(Cl)c3)SC2=S)c(C)c1	12631054	UGVXSLSURHBYMR-XKZIYDEJSA-N	498.000	6.721	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c(C)n1-c1ccccc1	41085211	CAHXYNMWXBMRJA-VKPUNFQASA-N	473.989	5.609	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1	96505086	PZJHRYHBNSJRCM-PCLIKHOPSA-N	491.634	6.387	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1Cl	100147745	ZTXCGICZQXSWGY-KGENOOAVSA-N	481.777	6.488	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1F	223383669	DHWLPHOSQNJCHV-IZZNHLLZSA-N	456.590	5.801	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[C@@H](C)CC1(C)C	223585344	AEZQCNBZLDAWGV-ICODJCHTSA-N	479.602	6.252	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	223726829	REJSIYGDTFBUHE-FTJBHMTQSA-N	476.646	5.032	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224207065	CHEDYGAKYFUBRY-SVBPBHIXSA-N	482.609	5.703	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1	224401984	APDWWOICPLDONV-JWQCQUIFSA-N	486.572	5.504	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	224436923	JHPCTZLPUFYYCO-UIOOFZCWSA-N	486.572	5.534	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2C)c1C	224570574	MGXFPRUJRWOABR-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)cc1	225042990	UUYWSSYFMZQTPY-URLMMPGGSA-N	495.696	6.272	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)c1	225343009	ZDASFWJGGJIZCI-URLMMPGGSA-N	496.680	6.762	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1	225356195	WKZMJCCKWLBUGT-HOSHDJOUSA-N	487.669	5.941	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408765102	BKIQFXLXNVYZJV-ULJHMMPZSA-N	455.510	5.151	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Br)cc2)c1	408841105	HPHPAHHBLXZZME-KGENOOAVSA-N	461.315	5.290	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408975094	JZNYZJUQWOHCOT-ITYLOYPMSA-N	467.565	6.150	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1Cl	408984587	JDLQYZMQGINELP-UCQKPKSFSA-N	490.003	6.020	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409061787	IBMBREQADAUBTR-HAHDFKILSA-N	474.988	6.242	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCc1ccc(C)cc1	409326820	DXFNMXXUJJVJIP-PKAZHMFMSA-N	497.641	7.142	10	40	JKCB	
CCCn1cc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)c2ccccc21	409328353	SULOYVHKNUEPIP-JJFYIABZSA-N	479.671	5.500	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409343547	HZDHDJHCKQAWKD-MFOYZWKCSA-N	468.825	6.296	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409352146	WLSYTHJHOPQDHY-JCMHNJIXSA-N	478.551	5.458	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1CCc1ccccc1	2246407	IASZDBTWSCKZGT-KQWNVCNZSA-N	476.579	5.618	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	8821825	KMBNMISQPBBIMF-VCHYOVAHSA-N	459.310	6.034	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1cccc(C(F)(F)F)c1	9285739	LMPXVGAMUOYPSC-UHFFFAOYSA-N	462.419	5.235	10	40	JKCB	
COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	9307042	LLHHOLOFRVTWOU-PKTNWEFCSA-N	493.559	5.035	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)SC(=S)N1Cc1ccccc1	9310590	GYWSHRXDDAVAIO-YDZHTSKRSA-N	461.564	5.396	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1	12285126	ZJPGENXWCIUOKA-UCXLZHGVSA-N	492.601	5.271	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2Sc3ccccc3N12	13541117	NGZVFNSMCXKWOS-JCGRVDTESA-N	487.580	6.039	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c1C	13749469	LKAABCFUZVDLQU-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
O=C1/C(=C/c2ccc(SCc3ccccc3)o2)SC(=S)N1c1ccc(Br)cc1	20324826	KAFKHCMHVMWXAF-PDGQHHTCSA-N	488.453	6.740	10	40	JKCB	
O=C1/C(=C\c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	26840857	YGSPQEQACWLBEB-LDADJPATSA-N	495.969	5.135	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139065	BOMLSAGTWKOYQP-JJIBRWJFSA-N	482.923	6.492	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3ccc(Br)c(C)c3)C(=O)N=C2O)cc1Br	59861392	HMYSDPQNAWWETA-MDWZMJQESA-N	494.139	5.035	10	40	JKCB	
O=C1c2cccc(OC(=O)C3[C@H]4CCCC[C@H]34)c2C(=O)c2c(OC(=O)C3[C@H]4CCCC[C@@H]34)cccc21	100289493	DIMAYDDWOJVDEP-MLNXGOGNSA-N	484.548	5.145	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223578492	PBJIKHDDABQGCA-OVBDPADQSA-N	461.631	5.247	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224273623	XHWKWJMHSMORGT-DGPALRBDSA-N	494.708	7.154	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224897729	ZKQVLWDRDRHAOT-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1	225602869	JTGBHWNKRCUEJE-RRPNLBNLSA-N	499.615	5.321	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c1	260565170	HFOKQFYWOFPTCX-MBTVCVBTSA-N	465.981	5.345	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)c(C)c1	408879886	HRQUAOQVARMLDH-DEDYPNTBSA-N	478.907	5.341	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC(=S)N1c1ccccc1	408903548	ZNYCKALSKSTISY-PCLIKHOPSA-N	488.033	7.478	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)NC1=S	409087939	VCXOTBLDRYKIDE-STZFKDTASA-N	481.415	5.649	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1	409212075	OOVNYNRZSBLGOT-GRSHGNNSSA-N	491.377	6.876	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409215014	ZFQROCLUWXQIIN-CIAFOILYSA-N	466.946	5.775	10	40	JKCB	
CCOc1c(I)cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1OC	2193050	KXKVEIVMVMLKTP-RIYZIHGNSA-N	482.701	5.333	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccc(F)cc5)=CSC4=NC3=O)c2C)c1	8453498	WGAFUMSOVLCVDL-MFXDBDOTSA-N	470.573	6.154	10	40	JKCB	
O=c1c2ccccc2nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)n1Cc1ccccc1	8854779	ZAKWMGXLAFIVTF-FMQUCBEESA-N	467.572	6.618	10	40	JKCB	
CCN(C(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cccc2ccccc12	12659981	OVTXDZCQIOJLRZ-UHFFFAOYSA-N	497.934	5.479	10	40	JKCB	
Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1-c1ccc(F)cc1	13129015	HEHGKJZERLUUGN-UHFFFAOYSA-N	485.382	5.756	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	13809794	WDCOVOXIYBUNAV-NEAWXCLQSA-N	482.521	5.478	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl	16188903	QOEMECAKVABIQL-PXNMLYILSA-N	454.356	5.052	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C	27017815	JYYBKDBAQIPXHJ-GQPFFEOZSA-N	472.415	5.023	10	40	JKCB	
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)n1C	34887688	RECVXZOHILAUFY-QVIHXGFCSA-N	499.600	5.200	10	40	JKCB	
COc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1	44804548	GFEONHWOOKTJEL-OEAKJJBVSA-N	475.526	5.573	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58845780	IBIDUOMURKWELG-CEYNDMKZSA-N	460.555	5.321	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847128	GCGQFIHWUGNWDA-PPJWLVRDSA-N	464.562	5.852	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58849659	DDDDWOQXJWCXNE-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1	58850178	OBWLRSFZSARMGE-CEYNDMKZSA-N	468.981	6.415	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3c(OC)ccc4ccc(OC)cc34)C2=O)c1	59104421	DVDQJLOBVUDNRF-RCCKNPSSSA-N	490.512	5.161	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(Br)cc1	59109539	JANCJSSDGRZSBF-DEDYPNTBSA-N	470.367	5.491	10	40	JKCB	
CCOc1ccc2nc(N/C=C3/C(=O)N(c4ccc(Br)cc4)N=C3C)sc2c1	101128667	DWZDRMLMFPHLJS-LFIBNONCSA-N	457.353	5.176	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223014808	IEAJBUHAJKQYBS-GOTSBHOMSA-N	455.027	5.070	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1	223057132	QGCVSCXYIDFBRX-SXOMAYOGSA-N	491.705	5.344	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224169895	FMDCELYAAYCLAU-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Br)cc3F)cc2)CC1	225655854	QHOQVFRRNDQQMY-HNNXBMFYSA-N	450.421	5.872	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)N21	260775197	PRRSIUXSJSWHEU-QFWMQHCXSA-N	467.038	6.131	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Cl)cc2)cc1	408762741	FZAVZWGPZAEXNQ-CIAFOILYSA-N	457.744	6.490	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S1	408805512	KXSCRGDNBPFCMB-UHFFFAOYSA-N	473.405	6.173	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409036107	KOAFGCFPLLJBSX-MDWZMJQESA-N	462.330	5.146	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1Cl	409052899	BHZZUTCQDOWVNU-KPKJPENVSA-N	453.709	5.020	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1CCC1CCCC1	409138192	ZJOOSVQXSBTKCF-OYKKKHCWSA-N	499.076	7.264	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccccc2F)c2ccccc12	409241734	UIOZUEKUIAHLAZ-CPNJWEJPSA-N	489.959	5.313	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCC	409328455	VRNXOIRNBBQJMZ-JJIBRWJFSA-N	463.624	6.823	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1cccc2ccccc12	409344660	GFLZRXFVLXLJGS-UQQQWYQISA-N	453.588	6.825	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1Br	409347695	QXJCKFYHEVYYPI-BOPFTXTBSA-N	450.379	5.262	10	40	JKCB	
CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc12	934299	IQLROAUYQDVWIV-UHFFFAOYSA-N	458.230	5.134	10	40	JKCB	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	2811742	WFYDSCLZAFGFDW-ULJHMMPZSA-N	473.554	5.780	10	40	JKCB	
Cc1c(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)oc2ccccc12	3302658	JCTVBSLXTLSNFC-QGZVFWFLSA-N	467.468	6.178	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OCC(=O)Nc1ccc(Cl)cc1	3641632	ZFHXWVUDNVJYNY-UHFFFAOYSA-N	459.933	6.056	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)c(OCC)c3)C(=O)N=C2S1	8453036	BFUJZPKLMVPDEM-QVBGLLGKSA-N	462.575	5.645	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	8763589	PCALVVVKRNMPIG-ATVHPVEESA-N	469.506	5.812	10	40	JKCB	
Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(N(C)C)cc2)cc1	9086550	WNXUGYALXBEDIV-XMMPIXPASA-N	453.995	5.254	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(Br)c2)C1=O)=C\c1ccccc1	9444427	MQCPBQMOVVBBLZ-RZTVDGLLSA-N	473.417	5.235	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1	10130508	XSIMNSIOCACJEO-MOSHPQCFSA-N	470.572	5.132	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccccc2OC(F)(F)F)cc1	20289218	OYDKHQUVCRMGDV-KQWNVCNZSA-N	497.473	5.739	10	40	JKCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)c1	26965582	ILWOOFCCLJKJGX-QJOMJCCJSA-N	459.592	5.658	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c3ccccc32)cc1	33149439	HOHBLQDFCOUHON-KGENOOAVSA-N	469.541	5.809	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1c1ccccc1Cl	33550959	LZAAEPPYAWZCHI-RGEXLXHISA-N	492.362	6.063	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	41108491	BROVHMMMYDBYOM-CCOMCPQUSA-N	468.026	6.111	10	40	JKCB	
CC(C)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C[C@@H](c1cc(Cl)ccc1O)N2	65297998	JPHXQEIDGIFACZ-NRFANRHFSA-N	476.846	5.532	10	40	JKCB	biogenic
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cc(Cl)cc(Cl)c2)cc1	103922327	KGCIGNDCWTWWNK-HAHDFKILSA-N	482.367	6.148	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106754712	QEKGHIOMOUJTBW-LSCVHKIXSA-N	467.374	5.389	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1	208717752	PWUBKNMCPUNVCD-KQWNVCNZSA-N	477.607	6.305	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313943	KXOIFSWVHFPMMS-PNTFMKQHSA-N	481.065	5.602	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223382460	NDUULQJAMCCOSY-SVBPBHIXSA-N	452.627	5.970	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N(C)C)cc1	223463718	XAJMSYHEYKLJOB-RRPNLBNLSA-N	482.657	5.123	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c(C)c1	223465883	HFEAMIPFSNWCRN-XTEPFMGCSA-N	481.669	5.982	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)ccc1F	224898692	KMCSOFTYFLCBCV-UIOOFZCWSA-N	474.580	6.253	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(OCc2ccccc2)cc1	408692960	ZIWRXAYCGUBGTO-YZSQISJMSA-N	483.568	5.078	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1	408804617	BDCGXJCGYCTJIS-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1	408843930	OEAQAPUTHFSMLG-FYJGNVAPSA-N	451.751	6.245	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	408942471	QVYOVLKKFUDQBW-HYARGMPZSA-N	465.336	6.014	10	40	JKCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1	409100287	UDFHNYKXKFLJDY-HYARGMPZSA-N	494.569	5.501	10	40	JKCB	
CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O	409125164	CKFFAFVGHHZERS-UNOMPAQXSA-N	461.425	6.310	10	40	JKCB	
Cc1ccc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)cc1	409238547	AVGAHXLPAVINAB-UHFFFAOYSA-N	490.584	6.730	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1C	409246500	CADAUXYCHLXUOF-IWIPYMOSSA-N	483.568	5.277	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1	2252257	WDVDJZLEMOKKJK-PGMHBOJBSA-N	479.627	5.069	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	8742623	LTDGRJYSCILIQL-XXAUWVGASA-N	498.535	6.207	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1	8820988	NNAUDHYKMUYEAW-HYARGMPZSA-N	486.424	7.182	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12	33458118	KHEBUTCGJYXSMV-XWFKJQDLSA-N	488.638	6.266	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	40006107	LGJLDNBFGNYXSB-OCKHKDLRSA-N	452.428	6.430	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223232351	ADJBYELZMOKFJC-DQEYMECFSA-N	482.097	5.375	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223425305	NKUUEZTXGGBKCZ-WDYNHAJCSA-N	496.680	6.287	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)c1	408779407	DQELAUBUNFYFSH-WSDLNYQXSA-N	461.949	5.339	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1	408840775	FRRQJMUULBTVHA-DEDYPNTBSA-N	498.174	5.752	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1	408898069	KEGNDUMDMQFUMX-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCc1cccc(C(=O)O)c1	408900960	APFUFGKXIMAWPF-KGENOOAVSA-N	477.563	5.378	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	409134731	PLBHPNYKQZDGSV-ZVHZXABRSA-N	460.555	5.492	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1	409350062	XAFJSYNTKUCPDI-CIAFOILYSA-N	479.535	5.258	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)c2C)cc1	409363933	KCVLGXSXOFKMPZ-OYKKKHCWSA-N	489.597	5.395	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CN(C)C[C@@H]3CCCN4CCCC[C@@H]34)cc12	1565519480	AXTNJCUAEQQRPL-HOFKKMOUSA-N	474.645	5.403	10	40	JKCB	biogenic
Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N=C3O)o2)c(Br)c1	1299832	ZQMBRMNKUNGDMX-SFQUDFHCSA-N	467.344	5.689	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12	1913284	OSODYEAZJIFQRW-UHFFFAOYSA-N	487.905	6.860	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)cc3Cl)C2=O)cc1	2262636	JDBKNGJBRAFXGL-XSFVSMFZSA-N	464.348	6.641	10	40	JKCB	
Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1[N+](=O)[O-]	9166099	XGALJZRORWCGFY-OCEACIFDSA-N	459.491	5.542	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9234315	FDASYKCMZLVESH-CKCPWRDISA-N	495.942	5.693	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9235851	GDXDDFPKXRNZJZ-UFTGVOQFSA-N	471.561	5.463	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	9310066	UFDBAZJOSLHASW-GDNBJRDFSA-N	461.688	5.573	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)cc1	10112128	IJNSKCAKQJCZNG-UHFFFAOYSA-N	477.630	5.025	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	12445259	WYUBHUPJBJOLMI-LJUMEUDFSA-N	489.663	7.368	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C(C(=O)OC)=C2C)cc1	14414557	BPOLPPDWUXRDJP-BWAHOGKJSA-N	455.510	5.755	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1	16678592	AADNACNZLPKPRO-UHFFFAOYSA-N	464.909	6.155	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N1c1ccc(F)cc1	20238562	LXPYHRDVWARAQK-ZHZULCJRSA-N	458.470	6.230	10	40	JKCB	
O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	20463565	WZZUIDKOBHABMF-XQNSMLJCSA-N	497.542	5.754	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)c1	33546282	LRYIBLISGFXSPD-HGMBWOCJSA-N	485.638	5.913	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	33657842	FIFNUJVOLIUVIY-PJMDEJHKSA-N	485.588	6.024	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OCc1ccccc1F	35198663	QZTJWRGPUYUUES-XDHOZWIPSA-N	480.879	5.573	10	40	JKCB	
O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1	102761842	NGSZVKITUOELLM-IRFCIJBXSA-N	489.742	5.404	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1c1cccc(F)c1	113834599	YLHZHWRCIHIXST-MFKUBSTISA-N	471.578	6.964	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)N21	222702921	PRRSIUXSJSWHEU-NTUVXCKYSA-N	467.038	6.131	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223102832	UURMQBKSPIKTRP-UIOOFZCWSA-N	479.093	6.756	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	223519326	WZWXQGKGENREHX-CFRMEGHHSA-N	491.613	6.550	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223796585	KPPIWUXMEYODPT-SVBPBHIXSA-N	486.616	6.204	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224336955	CUCFLKQILMNQSI-KAYWLYCHSA-N	468.626	5.934	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(O)cc1	224604529	SJLVJBPFQMZWED-RPBOFIJWSA-N	456.571	5.077	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1	408533331	QGQTXZOYYXMYGW-KGENOOAVSA-N	464.593	6.460	10	40	JKCB	
Cc1c(Br)ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1C	408647694	UPZXLIYHPOMNEB-UHFFFAOYSA-N	455.352	5.269	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)c(C)c1	408800909	RWXSVTDNJLCNOL-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	408818997	ZGVVRXDBUOENSW-NTUHNPAUSA-N	498.160	5.210	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12	408934264	AAXWUPNXDVCQNR-KOEQRZSOSA-N	491.503	5.769	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4C(C)C)C3=O)o2)cc1	408984475	HOHNDPRHPIKDPQ-NCELDCMTSA-N	489.571	7.328	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)cc1	409013487	AEWLBUATLYCEFV-CPNJWEJPSA-N	484.986	5.618	10	40	JKCB	
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(OCc2ccccc2Cl)cc1	409052482	HZQMURBCDUAKRT-NLRVBDNBSA-N	464.948	7.567	10	40	JKCB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409095801	IEMKCXDEWPELOF-IERINAHZSA-N	490.581	5.271	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409339306	TXMCUNGWQGJSKW-WQRHYEAKSA-N	476.457	6.279	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(F)c(F)c1	2512768	JQIBURAOXQNVKD-GOSISDBHSA-N	478.336	7.098	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21	6475530	LPWKMALQNCFLOY-CLCZQPDDSA-N	462.505	6.794	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	8821816	GPRBIAZEYGVMOW-VCHYOVAHSA-N	459.310	6.034	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C)C2=O)c(OCc2ccc(Cl)cc2Cl)c1	9296465	POGASECKCSTUIU-KEBDBYFISA-N	481.470	6.250	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(Cl)cc1Cl	12032340	IIVYSZKTHNLUAW-CXUHLZMHSA-N	455.363	5.363	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1Cl	33406950	JWVYXGCEDWFONT-JCMHNJIXSA-N	474.944	5.118	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c(C)n1-c1ccccc1	33458110	KRZJNVPXUHNRLG-RNIBFZJXSA-N	483.641	5.930	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccccc3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12	41076724	YXPNPBVCCISKGR-QGUUBAPPSA-N	490.635	6.082	10	40	JKCB	
Cc1ccc(SCC2=NN(c3ccccc3)C(=O)/C2=C/C2=Cc3ccccc3O[C@H]2C)cc1	100895361	UPIGZFGNBUMPRL-SVVBGHPLSA-N	452.579	6.281	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1C	106726703	TYYGLZQMXLMPNV-QRVIBDJDSA-N	495.442	6.710	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)cc21	208195161	DUPVWLRDMXIJFN-ONDHQXCVSA-N	498.446	5.002	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1	222684111	VUANDUQVWPLZAB-JLJGYXLTSA-N	457.574	5.227	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223964515	FSMVCWBRQRARJQ-CLJLJLNGSA-N	482.613	5.020	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	224569761	VARHERPOLRXHFM-VSGBNLITSA-N	497.668	5.741	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1	224915381	MGXQHQALTSYDQD-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
Cc1cc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)ccc1F	408737514	CGGHHNUDAQDCTQ-LTGZKZEYSA-N	466.468	6.774	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1cccc(F)c1	408740299	AYGYAYPCVSAYAO-YBFXNURJSA-N	481.317	6.157	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4F)ccc4ccccc34)C2=O)cc1	408880532	IDSXCMSBXKIODR-LFVJCYFKSA-N	480.495	5.533	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	408916683	GDNMENYRLOMNGP-ZDLGFXPLSA-N	488.371	5.371	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408963471	DSILXACLVBTNHT-HMAPJEAMSA-N	479.889	6.692	10	40	JKCB	
Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccccc1Cl	408969008	FRUJDDSPHPMBCR-JCMHNJIXSA-N	493.916	7.000	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1	409019425	IZJLOOXHMGZAHP-XDHOZWIPSA-N	468.987	5.532	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O	409231707	LOLHHBLUBTWUJP-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OC(C)C	2306432	ZPNHPVGGUNGUQU-KOEQRZSOSA-N	486.641	6.091	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	8722073	HNZNLUSQZJLAJZ-SFQUDFHCSA-N	473.743	5.687	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	8818973	CWRAKNDVGNHLQM-BRYYZUPOSA-N	488.439	5.661	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	9193619	XEJBIICXZWBEBV-DDSBZIKFSA-N	488.016	6.032	10	40	JKCB	
C[C@@H](OC(=O)c1ccccc1/N=N/c1ccc(O)cc1)C(=O)Nc1ncc(Cl)cc1Cl	9960452	TVXWJIJKPCYATF-HGVRRNKTSA-N	459.289	5.693	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\S[C@]3(NC2=O)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1	15057178	NXFJHCMRBOPZPS-YSSNMDGTSA-N	496.636	5.592	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(N[C@@H](NC(=O)c2ccco2)C(=O)c2ccccc2)c(C)c1	16790806	KHHZWXULWWUCQF-SLFBTFMYSA-N	452.514	6.363	10	40	JKCB	
Cc1ccc(Oc2c(C(F)(F)F)oc3c(CN4C[C@@H](C)O[C@H](C)C4)c(O)ccc3c2=O)cc1	19792873	FTKKAVDPPJWTOT-HUUCEWRRSA-N	463.452	5.227	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	35039938	UYAJQRRPMAOZTK-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1	41108480	ZNSOBUACJBZQCV-YRKOIEFQSA-N	477.634	6.082	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1	58846703	PHLDKHABJZDTPE-PPJWLVRDSA-N	475.570	5.839	10	40	JKCB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1	58849859	GYYLZMQUHYXZDG-GLDPYIMESA-N	480.973	5.666	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58850064	BIVJNMCRYMSWNO-TYPXCFOJSA-N	487.024	7.121	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F	59198276	NNHIZYFYWBBKCV-CPNJWEJPSA-N	495.304	5.038	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)c1	208475369	HHAQZQLIVZHVPJ-RGVLZGJSSA-N	479.964	5.037	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc2C(C)=CC1(C)C	208521569	FBLFCWPBLPZCGB-MTJSOVHGSA-N	486.468	7.406	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(F)(F)F)c1	222587815	ZSKQKALSLKSRMC-RXYZOABWSA-N	456.537	6.097	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222965856	AKUOFVUNMHIZOX-PKTZIBPZSA-N	483.479	6.024	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(Cl)ccc1O	223338139	IJEHOCFJGZNMBP-ZEQRLZLVSA-N	479.005	5.614	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	223726436	PHDBDBHPEKBJLT-IZZNHLLZSA-N	476.646	5.032	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc2ccccc12	223854591	BETAJUFKKBAETN-VMPREFPWSA-N	490.632	6.525	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1-c1cccc2ccccc12	260927108	YEWOAUXNEKHFSW-KKVCJECGSA-N	482.653	5.794	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1)NCc1ccccc1	408577174	ROPVDYDRHQOWCI-HMAPJEAMSA-N	495.025	5.441	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)O2)cc1	408743343	SFCSOPCQCMKFGV-YBFXNURJSA-N	483.347	6.571	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408766269	BCBDEXPRUZCVGG-KOEQRZSOSA-N	472.013	6.893	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Cc2ccccc2Cl)c1	408870694	XCIHMUUXAFBGHC-HZHRSRAPSA-N	474.944	5.223	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1	408884094	VVTIPDRCCWNVOK-KGENOOAVSA-N	495.362	5.801	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	408946133	YBZGNTIYOIRLIA-RGVLZGJSSA-N	471.771	7.032	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)cc1	408985738	YGDBNSZYKOXOLI-UYRXBGFRSA-N	482.367	5.630	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)c1	408993816	WXTOTUYUUXGHCR-BUVRLJJBSA-N	479.605	5.446	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	409202303	QZMAVVCOIIEMPJ-ZVBGSRNCSA-N	452.919	5.717	10	40	JKCB	
COC(=O)Cc1c(-c2ccc(OC)cc2)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12	604406080	ZWYQCPQSLYKGPA-UHFFFAOYSA-N	472.449	5.009	10	40	JKCB	biogenic
COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3)cc2)SC1=S	2682486	QMXKKIPMPNREJP-JSNWSPKXSA-N	474.003	5.197	10	40	JKCB	
CN(C)c1ccc(-c2nc3cc4c(cc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OCCO4)cc1	8400137	XOWQEDALGUWGKT-UHFFFAOYSA-N	499.655	6.830	10	40	JKCB	
COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1	9126816	AKOZKZKXRISLBO-UHFFFAOYSA-N	472.570	5.079	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188814	NCVQHXJURVIHOK-ZHZULCJRSA-N	468.397	6.647	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c(C)c1	9311301	XOTAEDCHEQYPAQ-PXLXIMEGSA-N	486.398	8.342	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	9478040	CSMNOQHFKOPPHU-VHSZZVNMSA-N	487.983	6.953	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c1C	12619118	MGVAVCRTBQGSLE-UHFFFAOYSA-N	491.769	5.314	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1	13547378	SRIGJSTYKFYGCC-MOHJPFBDSA-N	460.624	6.731	10	40	JKCB	
C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCc1ccccc1	13562218	XZVAJLKQBFRCTK-HXUWFJFHSA-N	488.056	6.516	10	40	JKCB	
O=C1/C(=C\c2ccc(O)cc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	13892693	OIWMXPDESGIVNL-UYRXBGFRSA-N	477.998	6.234	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCc3ccccc3C2)cc1	16914324	DPIKTWLSFCQEBK-VWLOTQADSA-N	478.434	5.045	10	40	JKCB	
COc1cc(/N=N/c2ccc(O)c3ncccc23)c(OC)cc1/N=N/c1ccc([N+](=O)[O-])cc1	18187888	SFXRKMUUGIAIPX-NBHCHVEOSA-N	458.434	6.697	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	20037505	IPQLLMAZMTWMFO-OHMBLGONSA-N	468.582	5.715	10	40	JKCB	
CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1	21005620	MZVOWILUPFZBRG-SANMLTNESA-N	468.557	5.100	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)cc1	33350461	PXCKFBQGTDIERX-OEAKJJBVSA-N	453.473	5.644	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	44085825	BMMLCHSFQOEREX-UHFFFAOYSA-N	478.843	6.353	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58847879	JDUQIBYNBJFSNJ-WZOHSFFVSA-N	450.991	6.276	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)cc1	83302514	RAPFZBZUBQMNHD-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c2ccccc12	95478813	GOERKSSHNRVBEE-UHFFFAOYSA-N	455.470	5.857	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224470594	OGZWCLOMDMYZMY-DNQXCXABSA-N	474.033	6.023	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc2Cl)c1	408807597	DHIORQNRLVEHIR-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1	408899631	POJMTMRDIRGBQP-ITYLOYPMSA-N	484.552	5.419	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C2=O)c1	408933407	JJZDKNZHJDCNBK-QRVIBDJDSA-N	494.016	6.039	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)S1	409082080	RMVRYYMZRCWFRP-FRKPEAEDSA-N	455.750	5.332	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	409170313	UILUKSUQJVHRCM-SWYRRKHMSA-N	463.002	7.675	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c3ccccc32)c1	409254186	VSGZYMMFAIVELU-KGENOOAVSA-N	485.996	5.483	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC(=S)N1C1CCCCC1	409329342	DWOHTJBXNAMIHV-BKUYFWCQSA-N	478.466	7.106	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)c1	409352711	YCXMAQBLQNYCLI-ODLFYWEKSA-N	488.011	6.426	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccncc1	409352941	ZPQMIKSUKHVYHX-MTJSOVHGSA-N	452.532	5.214	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccs2)[C@@H]3c2ccc(N(C)C)cc2)cc1	8444228	MZVITIXQDDIEIF-AWIJLNJVSA-N	484.669	6.317	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	8816278	XCCJBEPQNULJBQ-UVTDQMKNSA-N	461.301	5.224	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nc2ccccc2s1	8871701	VXWRCHBNBYDCKU-ATVHPVEESA-N	457.577	5.056	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9307455	SUMIHMPKXQSMDL-SDHOMARFSA-N	488.370	6.016	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1	9427140	DQADDYFAXIYNLX-JLPGSUDCSA-N	477.607	6.079	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1	9884873	AHACRWOJRGTGSO-JCZXDDDQSA-N	493.562	5.150	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	14009602	HTUKXWDVWVTLFL-IWIPYMOSSA-N	486.568	5.297	10	40	JKCB	
O=C(Cc1cccc2ccccc12)NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S	15906076	PAVWTCBKNOSMJX-HZHRSRAPSA-N	454.576	5.468	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2=O)cc1	17264976	XGLRISGTDVVTCR-HFTWOUSFSA-N	471.556	7.002	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	18129995	YKJMQPTYJSHAOV-YHBROIRLSA-N	490.397	5.642	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	26965533	DSNSMOCQUFBQQG-HMHKGCENSA-N	460.407	7.216	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccc(Cl)c(C)c1	33390839	AEECYVSDFVQQLT-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(-c5ccccc5)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58846887	IVBRTUNVILRBJH-WTNLLYQRSA-N	492.644	7.289	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OCc1ccc(C)cc1	59135192	CXLPJBQYKLOSMF-FYJGNVAPSA-N	460.461	5.228	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2Nc3cc(C(=O)c4ccccc4)ccc3N=C3CCCC(O)=C32)cc1	100424245	GNGDIDWIYAWJJD-LJAQVGFWSA-N	465.597	6.999	10	40	JKCB	
COc1cccc(/N=N/[C@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)c1	100525181	VZANLXGOJIXLNL-IUBFCHALSA-N	470.352	5.456	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1F	223495726	BIDOEWPTDWQFRC-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc2c(c1)OCO2	223862747	VMNDAHVTVACFHL-FTJBHMTQSA-N	484.581	5.101	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)c(Br)c3)SC2=S)c1	408605893	ZCRNQAYSLNANDN-VXLYETTFSA-N	494.501	6.612	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)S1	408805154	IXKJPXRSKYBOHL-UHFFFAOYSA-N	451.015	6.436	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1	408818597	XLHBXLXMWOVSPN-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1	408867710	JTGKUPIYQCGNAR-UQQQWYQISA-N	478.523	5.853	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)SC1=S	409006682	KMYRSLXPDSAXSW-YVLHZVERSA-N	479.377	5.157	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N(c2ccccc2)C1=O	409011738	HKNAIYBTEHEHQB-HAHDFKILSA-N	491.975	5.081	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409020542	QIEACPZQINKPAJ-BKUYFWCQSA-N	464.924	5.764	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)NC2=S)c(C)c1	409137719	YQLWLHGQMCHJGQ-YBFXNURJSA-N	498.435	5.849	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409153819	NIGVNCDPNRLMJN-KSMMKXTCSA-N	454.286	6.312	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)SC2=S)cc1	409210074	DJRNEVGHUQYFPT-MOSHPQCFSA-N	450.541	5.117	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S	2205316	ZOYLESKBJSEQAE-CYVLTUHYSA-N	465.600	5.187	10	40	JKCB	
Cc1c(C2=CCCCC2)c2ccccn2c1C(=O)c1ccccc1NS(=O)(=O)c1cccs1	3242217	RMGVEXILIQAQLB-UHFFFAOYSA-N	476.623	6.298	10	40	JKCB	
O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	4172132	BJRUZKFQSVVMNX-YZUZCNPQSA-N	464.518	5.151	10	40	JKCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1	8821241	DTIRYTCQIZCPEV-SILNSSARSA-N	465.637	5.501	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(N4CCN(c5ccccc5)CC4)=NC3=O)c2)cc1	8821732	OJTKHTQGCXXLJQ-XHPQRKPJSA-N	469.610	5.367	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S	8823935	IKJDNVCADYHHGG-CLXYIWAZSA-N	460.533	5.008	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)N=C2O)c1	9090125	OORNVXVETLYBPM-HZHRSRAPSA-N	485.971	5.390	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)cc1	9161451	HWJJABNYFVDAHN-FKSIKXIZSA-N	489.626	5.416	10	40	JKCB	
CCN1C(=O)/C(=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21	9331282	NEEDXZWFYVGURN-MRCUWXFGSA-N	474.648	5.220	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1	9428263	UDCGTJBSRPVNNA-DAJTYMAISA-N	491.591	6.178	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	14413804	BLMNENRXTIBNBE-DHDCSXOGSA-N	480.717	5.127	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)cc1	19793034	AMHHFPDVISQPMS-UHFFFAOYSA-N	491.550	6.986	10	40	JKCB	
Cc1cc(C)cc(OCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	33935803	MREKUPYVDVYYRL-BUVRLJJBSA-N	483.524	5.432	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	59418061	YUTJVZCLYVRYTJ-HZHRSRAPSA-N	465.571	6.209	10	40	JKCB	
CCCCCCc1cc(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)cc1O	104090760	PESWSWSCGFLZLY-VHXPQNKSSA-N	460.581	5.893	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224468361	YLSCORPDXCGRLY-AHKZPQOWSA-N	487.072	6.936	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224622555	XZICPFIFHJYMKH-UIOOFZCWSA-N	498.608	5.158	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1	225042435	YIJOGGYPXLUWRG-IZLXSDGUSA-N	481.669	5.964	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1	408572618	HKGWILQCMIEXSC-HMAPJEAMSA-N	495.025	5.759	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2	408601450	JYAOPUWBAQDNRW-YVNNLAQVSA-N	499.972	6.193	10	40	JKCB	
C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccc(OCc4ccc5ccccc5c4)cc3)[C@H]2C1	408736311	PMPHFBZTHQNUKX-RASJINCSSA-N	495.622	9.038	10	40	JKCB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\C=C(c2ccc(Cl)cc2)OC1=O	408744707	ZMCVYIDFEYAKGE-AWNIVKPZSA-N	498.554	5.772	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Br)c3C)C2=O)c1	408784457	STYDIWNBWOOQRS-DEDYPNTBSA-N	492.373	5.140	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Cl)c1	408866820	GTPNNACKROPOJF-MOSHPQCFSA-N	462.908	5.353	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cc(C)cc(C)c4)ccc4ccccc34)C2=O)cc1	408877038	SNABBHNQTPKWKV-MTDXEUNCSA-N	490.559	5.722	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(I)cc2)cc1	408998123	SZHPSGUUZNWKSR-HZHRSRAPSA-N	494.332	5.676	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c(C)c1	409094024	BQTIFNPJYLQXCA-HYARGMPZSA-N	478.570	5.801	10	40	JKCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C1=O	409130364	HNUROFJYPQUEJC-HAHDFKILSA-N	493.610	6.600	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	409193997	KBKYWXAHBKMPSZ-SRZZPIQSSA-N	489.449	6.528	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	409236373	FLAQOZRWQTWGLI-RVDMUPIBSA-N	476.863	5.450	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1Cc1ccccc1	409344837	HNEDIEYLZRIYCU-CFRMEGHHSA-N	493.028	6.884	10	40	JKCB	
Cc1cccc([C@@H]2C3(O[C@H](c4ccccc4)C24C(=O)c2ccccc2C4=O)C(=O)c2ccccc2C3=O)c1	677479	SDWFVBRQPHZKHT-SUYBVONHSA-N	498.534	5.734	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1CCc1ccccc1	2366036	YSKNQISURFEAKJ-HAVVHWLPSA-N	485.971	5.448	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1-c1cccc(C(F)(F)F)c1	2650351	ONGFUWJOGNDMHU-UHFFFAOYSA-N	488.560	6.683	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(F)cc2)N3)cc1	6057149	UFYLZPWFVCSJOQ-RQTOMXEWSA-N	450.535	5.462	10	40	JKCB	
CC(C)N1C(=O)/C(=C\Nc2ccc(Cl)c(Cl)c2Cl)C(=O)N(CCc2ccccc2)C1=O	8431344	CGVFDFAYLUJOAD-QINSGFPZSA-N	480.779	5.385	10	40	JKCB	
CCN(CC)CC[C@H](CNc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccccc1	8602982	MZKUHPSACPVODL-OAQYLSRUSA-N	462.037	6.978	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1	8821683	FDCKFILSRRCCPV-UCQKPKSFSA-N	458.539	5.663	10	40	JKCB	
N=C1/C(=C\c2cccn2CCOc2ccccc2Cl)C(=O)N=C2SC=C(c3ccccc3)N12	13893704	BINLTGUSIMZZLE-PUHVNPJNSA-N	474.973	5.525	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1	16770026	AQRIIWROBDIYQD-QGOAFFKASA-N	480.533	5.334	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(Cl)c1	27499096	HTZBHJMTSHQSMF-VCHYOVAHSA-N	477.350	6.567	10	40	JKCB	
COc1ccc(C2=NN(C(=O)c3cccc(Br)c3)[C@H](c3ccccc3O)C2)cc1	27904321	TZZWHOPHVMIFJG-NRFANRHFSA-N	451.320	5.155	10	40	JKCB	
COc1ccccc1NC(=O)c1cc2ccccc2c(/N=N/c2cc(Cl)ccc2Cl)c1O	33839079	IBVDQFFVBKPVPB-ZQHSETAFSA-N	466.324	7.529	10	40	JKCB	
CCOC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)=NC1=O	51330480	XDNGEPOPBLSROL-FMCLUDTESA-N	471.582	5.359	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(F)(F)F)N3)c1	58846384	ZJXARWRHWBVBRJ-UNVFRBQDSA-N	498.570	6.950	10	40	JKCB	
CC(=O)Nc1ccc2c(O)c(/N=N/c3ccc(/N=N\c4ccccc4)cc3)c(S(=O)(=O)O)cc2c1	104045310	AIHPHBBNLJQATD-KVZOUHTRSA-N	489.513	6.581	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[C@H](C)CC1(C)C	208308944	KWLFRIXOHSQFIW-RVZJCZPVSA-N	451.954	5.119	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	208324979	GLUWKMALWDPOMG-SUVVMJBMSA-N	495.620	5.921	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	222952509	SYHZFGZKJMLBGV-GOTSBHOMSA-N	455.071	6.139	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223315356	LAZGFGXSKDSQKL-RWUBSVTLSA-N	474.674	5.511	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223464872	CQRPZYPHHUEIDL-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224338951	GLYIKJBDGFJQTI-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c(OC)c1	224812785	AVZVZNBWYDPLBE-CLJLJLNGSA-N	499.640	5.387	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1	260569602	RFKDYRBTAWCOJT-IXOWOOARSA-N	475.658	5.635	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=O)Nc1ccc(Cl)c(Cl)c1	408529165	IMEIETGRWHVWCQ-ZROIWOOFSA-N	482.165	5.492	10	40	JKCB	
Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1	408533663	OSNVRXHVHBNLSP-LFVJCYFKSA-N	469.585	5.350	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	408761881	HOORXXYNAKVAOL-RCCKNPSSSA-N	492.431	7.109	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(Br)c2)cc1	408779529	XTCYMIBPNQDGKT-CPNJWEJPSA-N	461.315	6.137	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cc(Cl)ccc4C)C3=O)cc2Cl)c1	408809414	LDVMQLPFTQYHBV-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C(=O)NC2=S)cc1	408854236	ANKVSWWAILHHLD-LFVJCYFKSA-N	487.625	5.195	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC	409078600	IZJULGIWOYTFTQ-QNGOZBTKSA-N	491.385	6.081	10	40	JKCB	
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]12	409184726	ZTWXBMPGHFRLNQ-LVWJLTJNSA-N	469.544	6.673	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1	409216220	GGDLKKQSESAULJ-JJFYIABZSA-N	464.568	5.237	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1	3856155	YEVCGNQZQYTZJB-PCLIKHOPSA-N	474.586	5.131	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	8821319	NMJKCTKQWURREV-JLPGSUDCSA-N	496.053	6.372	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821332	MEACOUIGWAZGFR-HMAPJEAMSA-N	495.025	5.394	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccc(Cl)cc1	8821399	XTZZQGQHMHWBEG-MOSHPQCFSA-N	462.036	6.317	10	40	JKCB	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCC(=O)N(Cc1ccccc1)c1ccccc1	12377605	XHIHNFVPDBNFIU-HAVVHWLPSA-N	493.053	6.165	10	40	JKCB	
CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Br)cc1	13371334	OYGNHWGEYMYEKF-HMAPJEAMSA-N	491.381	6.717	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3Br)C2=O)cc1	13775076	VDMFMOYIEDDPQC-RGEXLXHISA-N	489.460	5.632	10	40	JKCB	
COC(=O)c1ccccc1-c1ccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1	13799442	DRUCJTHHYAEVJF-ADKREUBMSA-N	455.495	5.037	10	40	JKCB	
O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1)c1ccc(O)c(O)c1	15109106	CLFXGRSHWNSVSI-UHFFFAOYSA-N	486.380	5.686	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)cc1	16678570	YSGKGEXLNFNOEK-UHFFFAOYSA-N	465.553	6.512	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2F)C(O)=NC1=S	27906201	MZTIINGYUFJABK-SFQUDFHCSA-N	457.958	5.449	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1	33904168	RLEGCVUMKGQFIP-UCQKPKSFSA-N	482.026	6.642	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc21	223509594	MEDGLEPRICLOOQ-OEAKJJBVSA-N	473.642	5.545	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(F)cc1	224602841	LBXJNIMFAVBLEB-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1	408845933	WUNXBLGCIIDXQE-XSFVSMFZSA-N	478.302	5.200	10	40	JKCB	
CC(C)Oc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408865380	CHFCOWGRVWTLAG-UHFFFAOYSA-N	476.985	5.876	10	40	JKCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)ccc1OC(C)C	408874015	YPJDUPSQSLLOLF-UHFFFAOYSA-N	456.498	5.066	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1Cc1ccccc1F	408878195	XXQGJSPKYDTKEU-RGVLZGJSSA-N	478.907	5.053	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1	408936459	JXJYGGKJBPYTHL-BKUYFWCQSA-N	467.308	5.239	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C	408962571	ZIFNLBFSMCGOLF-HZHRSRAPSA-N	471.626	5.413	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)c(C)c3)C2=O)cc1	408985870	NUAVKPJOZPQPAY-HMMYKYKNSA-N	494.816	7.281	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	409086816	RUGNAAJTUCEACL-QNGOZBTKSA-N	451.353	6.617	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)cc1	409099206	QWHQMVJQNSDUSA-XQNSMLJCSA-N	479.602	5.059	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1Br	409328983	BNGFEIRXNACBEJ-LICLKQGHSA-N	452.370	5.783	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCc1cccc(C)c1	409330644	LGSJZZMRLFXILE-WPWMEQJKSA-N	497.641	7.142	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cc1Br	409348545	OJODHMNSYZEPAZ-WQRHYEAKSA-N	480.474	6.366	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	409368995	WRCLKEJQDCHZRQ-XACIZNRCSA-N	496.441	6.109	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@@H]43)c(O)c(Cl)cc2c2c1CCCC2	524729542	XZXGUROTISUQQY-CTOUCQIYSA-N	495.063	5.426	10	40	JKCB	biogenic
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1	1180613	CVGXNNFYIASJLR-AQTBWJFISA-N	475.433	5.378	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)ccc1Cl	1791600	PGNZHFQBPOWFMJ-UHFFFAOYSA-N	481.898	6.648	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)sc2c1CCCCCCCCCCC2	8455346	QDPCATIORLNJPG-OSZJIOELSA-N	489.678	6.220	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1	8821471	CCKOVLCTNHHQKB-UDWIEESQSA-N	470.413	6.732	10	40	JKCB	
COc1cccc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	8918588	FEPGBKGFZVWQCE-PVHODMMVSA-N	463.533	5.026	10	40	JKCB	biogenic
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	9478043	CSMNOQHFKOPPHU-XXAUWVGASA-N	487.983	6.953	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cccc(OCCOc3ccccc3)c2)SC1=S	9805375	CJITWSYMVHSKOF-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4C(SCc5ccccc5)=NSC4=NC3=O)c2C)cc1C	13166798	AUTHNICIRQRQNC-WNGCWRAYSA-N	499.665	6.221	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(OC(F)F)cc1	15912794	VMCMWQXETVJFRL-UHFFFAOYSA-N	457.517	5.638	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N[C@@H](C)c3ccccc3)nc3ccc(C)cn3c2=O)SC1=S	16735099	DYUREOUUIGOPPL-KDWLXDBESA-N	478.643	5.176	10	40	JKCB	
Oc1c(-c2cc(/N=N/c3ccccc3)c3ccccc3c2O)cc(/N=N/c2ccccc2)c2ccccc12	17835613	JBSIFSXOVFONSA-LBYUQGKWSA-N	494.554	9.902	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(C)cc1	27016448	WRIGJUKMTNLDDE-JCMHNJIXSA-N	467.612	5.757	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	41082881	IOAGLVRCCNEIOB-RQUXIJKASA-N	453.999	5.865	10	40	JKCB	
O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58848321	MVXXJLBFYGJFKV-YZUZCNPQSA-N	481.415	6.076	10	40	JKCB	
COc1cc(/N=N\c2cc(CN(C)C)cc3ncccc23)c(OC)cc1/N=N\c1ccc([N+](=O)[O-])cc1	104209881	XQYJMZDUTFYABG-BRMDCIMDSA-N	499.531	7.053	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)NC1=S	105001389	DVZNVVQAGLQVKS-SXGWCWSVSA-N	486.218	5.412	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c1	106689774	REWMWBHICSEAQE-GRSHGNNSSA-N	457.866	5.674	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	214095647	OFBWYIQYBMXZIZ-LPYMAVHISA-N	480.973	5.771	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc21	223515467	SRSOOKBNKICSPD-HYARGMPZSA-N	473.642	5.545	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224530520	MFTNPYXPFMIJAZ-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1OCc1ccccc1	408741799	LFNISZYCSSBYCV-YBFXNURJSA-N	497.772	6.671	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1cccc(Br)c1	408755752	PCZSUGZRJRHZGM-RGVLZGJSSA-N	472.169	6.590	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)S2)cc1	408787955	BIMSJKQRXGWQRW-DKOMQPSQSA-N	472.441	6.563	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc2ccccc2c1	408902143	KVCGHOVTSDQGEI-WGOQTCKBSA-N	496.994	7.277	10	40	JKCB	
CCOc1ccccc1NC(=O)c1c(NCc2cccc(OC)c2OC)sc2c1CCC2	920860	BROBESDDIFORRD-UHFFFAOYSA-N	452.576	5.517	10	40	JKCB	
COc1ccc(N2CCN(C(=O)CSc3ncnc4scc(-c5ccc(C)cc5)c34)CC2)cc1	933087	SFSDRPGDSNKWEU-UHFFFAOYSA-N	490.654	5.116	10	40	JKCB	
C[C@@H]1CCCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CCC2=CCCCC2)C1	1340062	VJLHAUYSMNLMRC-LJQANCHMSA-N	458.071	6.445	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1	2306649	YTWIFZSEPJTPEN-JLPGSUDCSA-N	473.667	6.690	10	40	JKCB	
Cc1cccc(OCCn2cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	8450589	PRHVJHJFIHCBJB-VKPUNFQASA-N	471.586	5.304	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(-c2ccccc2)cc1	8765639	WXVYGYODVCTQHQ-JWGURIENSA-N	462.571	5.723	10	40	JKCB	
O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1ccc(Cl)cc1	9233842	YUMSHQFXCNONIX-RIYZIHGNSA-N	473.744	5.056	10	40	JKCB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cc(Cl)ccc1O	19326093	IMTSUKQZICMPHY-UHFFFAOYSA-N	452.982	5.470	10	40	JKCB	
CCCCN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793018	VSVWCICSXGJLQD-UHFFFAOYSA-N	455.860	6.195	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	27548047	JXTUXBULPGAZHM-UUYOSTAYSA-N	481.961	6.201	10	40	JKCB	
COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1	59104084	XWMWTOXTDKKFMP-ZMOGYAJESA-N	484.552	5.448	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C	59136190	YIAXZHHQPHONMP-GZTJUZNOSA-N	483.952	5.567	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222965714	FJSMSPVTXHRZCY-DHIUTWEWSA-N	483.479	6.024	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223855680	QWXBHODVYMNNAW-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224011701	MATAQYDVQPXSBS-SVBPBHIXSA-N	482.609	5.703	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224235049	LEBNMIMAJVISCT-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C	224271294	JFVDTEWQXRUTGN-VMPREFPWSA-N	480.681	6.900	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(OC)c3)c2C)cc1	224533588	SMUSXZFBQMRSJG-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccccc1C(C)C	224569863	NCIOBBIDHQTZFW-UHFFFAOYSA-N	488.628	5.759	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224601552	SCEHQANTUMWJQJ-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1OC	408752712	GHFHBHUQGLPIIK-LDADJPATSA-N	496.788	6.591	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3Cl)C2=O)cc1OC	408766973	ULQMUMXKCCKOOA-QGOAFFKASA-N	452.337	6.482	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)cc1	408781203	APMBTUZBVKIURX-LFVJCYFKSA-N	471.626	5.531	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1	408866597	HBPVTKNDTSIGOU-KQWNVCNZSA-N	480.495	5.533	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1	408890342	RQKNZPNZKPFBTG-WOJGMQOQSA-N	485.298	5.378	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	409018963	ZPHPJENHCNIKAR-APSNUPSMSA-N	456.247	5.889	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409059808	XPIFWNHTMSVDSG-UCQKPKSFSA-N	460.961	5.933	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1	409097615	MVOQMUBQRLQEHO-XNTDXEJSSA-N	475.715	5.882	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409191080	ZJWIYOACEOGYSC-NDENLUEZSA-N	453.907	5.897	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br	409249251	JXQMBDNUDUTFTD-VUVCFOEZSA-N	487.419	5.075	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc1OCC	409339771	YCRADSLROJLHKG-LDADJPATSA-N	496.423	6.182	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OC(F)F	409359942	NPLKYFFOCOFEMG-DEDYPNTBSA-N	457.523	6.246	10	40	JKCB	
CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1	2409600	PBIVAKNPOWSXKB-RCCKNPSSSA-N	473.564	5.795	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	8821300	ZOJFVXFKAOCAQZ-RXWSAZGZSA-N	476.019	5.764	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	8821309	RMZFVTBENBZURZ-IWIPYMOSSA-N	459.592	6.182	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1ccc(Cl)cc1Cl	8872233	VMRHGIRFDUZZHL-SFQUDFHCSA-N	471.181	7.227	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCc5ccc(C)cc5)cc4)S3)CC2)cc1	9188193	SIHYUJDTWTURQR-DIBXZPPDSA-N	499.636	5.375	10	40	JKCB	
COc1ccc(Nc2cc(NCCCn3ccnc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	9192747	FQYDCHGBURPTNN-UHFFFAOYSA-N	465.513	5.490	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)cc1	10059722	XMJIPLQOKSATGD-UHFFFAOYSA-N	450.741	5.134	10	40	JKCB	
COc1cc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cs2)cc(OC)c1C	13133738	SWFQGYVRLGEMPX-UHFFFAOYSA-N	491.569	5.524	10	40	JKCB	
COC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N(c2ccccc2)c2ccccc2)s1	16189927	GIKVGWQEJCLGIM-OCEACIFDSA-N	458.499	7.328	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	16284980	XGSIBPMQDCHRDU-QHWMMSMNSA-N	488.609	5.717	10	40	JKCB	
CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1	16639223	HALPDYMOAZODRJ-UHFFFAOYSA-N	457.574	6.772	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1	16678601	NOKFBLOHMCTGNQ-UHFFFAOYSA-N	464.909	6.155	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C(O)=NC2=S)c1	16693217	BLNPHVRFWYOOOQ-HZHRSRAPSA-N	458.539	5.336	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)S2)cc1	18193717	NBAHIDZWUYIKIR-UDWIEESQSA-N	468.918	5.779	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1	33314388	BIRAODQWKNGEOB-SFQUDFHCSA-N	457.364	5.212	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	33667062	CCQLEDSWHFZWFG-JSXACDQRSA-N	491.979	5.863	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	33923650	CNWTWVYWGUXAPD-WMIGAGKJSA-N	460.390	5.676	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	41084877	NEAPITDNWGQONI-FISJVANTSA-N	489.645	6.082	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)(C)C)cc1)N2	58849021	OSVGCPYJZHVBKX-SXDGJLEOSA-N	488.653	6.620	10	40	JKCB	
CCOC(=O)c1cccc2c1N[C@@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	59401501	IJAOAYYRKGCTTR-SIFCLUCFSA-N	458.352	5.470	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)SC1=S	83259500	XJBARLJICXKQFV-BKUYFWCQSA-N	470.015	6.302	10	40	JKCB	
CC(C)Cn1c(-c2cc(-c3ccc(O)c(O)c3O)nc3c2c(O)nn3C(C)C)nc2ccccc21	95473053	ITNRGZMSMZRFKC-UHFFFAOYSA-N	473.533	5.174	10	40	JKCB	
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	102188039	COLJMMIPQWNMNM-GPHNJDIKSA-N	489.678	6.218	10	40	JKCB	
Cc1cc(N)ccc1/N=N\c1ccc(-c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1	104381625	NBZHFJRZIJHHCL-MCDSGTGBSA-N	451.486	7.479	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	214136174	LSWJAOBTJGQFPN-CIAFOILYSA-N	466.946	5.682	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)N21	222673029	DJGKBUKACJTHEK-IRBZQWRBSA-N	453.055	6.346	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1	224011403	QYCICXJWPRUGDE-IZZNHLLZSA-N	468.582	5.395	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224188042	CNXKRKIHXKTRCS-IZZNHLLZSA-N	482.609	5.453	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2F)SC1=S	409037732	YTLQKMRCLOUFKM-GRSHGNNSSA-N	480.424	6.024	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409085308	WZHMNXQNCJIORJ-VBNMEBLOSA-N	480.438	5.953	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409350458	XVRWVGIKQPJYTP-JAIQZWGSSA-N	468.987	5.852	10	40	JKCB	
CN(C)c1ccc([C@@H](Nc2ccccc2)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1	2263557	VXBXCIQBQFDUGO-YTWZBVJHSA-N	491.616	6.882	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S	2823581	RTTKDIZNYMRUHI-TYYMKKSVSA-N	490.654	5.402	10	40	JKCB	
COc1ccc(-c2nc(NCc3cc(Br)ccc3O)sc2-c2ccc(OC)cc2)cc1	8452379	COQPADDEQOJUGO-UHFFFAOYSA-N	497.414	6.575	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(Cl)c1	8820426	MIAZKUVFCSSZNA-DFBITEFZSA-N	463.411	5.780	10	40	JKCB	
CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	9030140	KPTSWVCAGBXXAD-RGEXLXHISA-N	489.460	5.089	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1	9087453	NWHUJYZBVKNADM-XKZIYDEJSA-N	489.453	6.215	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(C)c5C)c4C)C(=O)N=C3S2)c1	9291139	SIJQMVATVHVPFD-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1	9310047	AQLVQEUJKLLTBV-ZLLSNJOHSA-N	476.602	5.471	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1nc(-c2ccccc2)cs1	12032438	GQEGMVXBRZDHQL-LDADJPATSA-N	486.043	5.694	10	40	JKCB	
Cc1ccc(OCCCOc2cccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2)cc1	13785910	PYMQHDDLARZKRT-FBJHWAPASA-N	495.604	6.147	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc5ccccc45)C(=S)N=C3O)o2)c([N+](=O)[O-])c1	16215679	COHAACWPCHVLSX-DEDYPNTBSA-N	499.504	5.688	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C2=O)c1C	27549116	PGSXRZLJQANRDS-HZHRSRAPSA-N	498.583	5.023	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5c(C)cccc5C)c4C)C(=O)N=C3S2)c1	34695724	STIUBZAMTZPNQU-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
Cc1cc(C)cc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	34876684	PZNXDYWFZJWXLW-HGNJXLJLSA-N	499.640	5.921	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	35039854	AYYFHHHMCGVKBV-JCMHNJIXSA-N	464.568	6.603	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@@H](C)[C@H]1[C@H]2CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]2CC[C@]31C	35188575	LIBRFSNEVHBFKI-NFHJBKHSSA-N	494.701	6.262	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1	214412661	YGFRFMKUAMVSEE-SRZZPIQSSA-N	457.382	6.637	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)cc21	222907619	NMDWFJLAMXJMRM-DHIUTWEWSA-N	455.071	5.995	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104638	ZSFNOJJKLJPZGL-XTEPFMGCSA-N	472.702	6.665	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223308156	WLJSKBTVOZNSKR-MZBJOSPHSA-N	460.647	5.203	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223459459	JIZGCXZNDYMGTG-RRPNLBNLSA-N	467.642	5.619	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503245	MJWWJKMKEKHILL-CLJLJLNGSA-N	497.624	5.063	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1	223857491	RDQMCYHBAFCPGP-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224531073	SPSRIEVSIKJDDQ-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019642	OQBOHKMKPZYFIK-LOSJGSFVSA-N	491.617	5.321	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1-c1ccccc1	225382753	PBJSCYBYNRTOQW-VMPREFPWSA-N	494.664	6.679	10	40	JKCB	
CCOC(=O)c1sc2nc(C)c3c(c2c1N)[C@H](C)[C@@H]1[C@@H]2CC=C4C[C@H](O)CC[C@]4(C)[C@H]2CC[C@@]31C	247954508	LIBRFSNEVHBFKI-YOWXKLBMSA-N	494.701	6.262	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	408722923	OMBJQMOFVYMMKR-DEDYPNTBSA-N	477.372	6.131	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1OC	408760468	ZBFTVMYUFTWWJU-DEDYPNTBSA-N	497.776	5.954	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408782445	IMVLCCXRRYBZRQ-SRZZPIQSSA-N	494.485	5.369	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1	408783611	PDDZAOZBJXNMKL-YZSQISJMSA-N	484.600	5.224	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1ccccc1F	408867563	KOEZOUNIYKCESZ-OEAKJJBVSA-N	472.516	5.098	10	40	JKCB	
O=C1C(=Cc2ccccc2Cc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408872750	IDUKALWTSMMFDS-UHFFFAOYSA-N	492.962	6.514	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1	409064349	DCJOYUMNMODFCJ-PXLXIMEGSA-N	479.026	5.885	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	409096600	DRCWFDQYONXBOP-VSXLWIIGSA-N	467.736	5.491	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)cc1Cl	409233633	LLCDUXDQLLICNB-WOJGMQOQSA-N	484.408	5.541	10	40	JKCB	
Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c1	409244585	FXMFEVUKZUABMB-UDWIEESQSA-N	480.977	5.126	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccncc1	409326325	AFTWLDHEMPMCIJ-LPYMAVHISA-N	480.636	5.797	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)c1	409338245	GMIMEKCJUAEHDL-ODLFYWEKSA-N	465.508	5.057	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1	2594586	PKDFAGNLKNUACW-DURWOYGOSA-N	460.983	5.655	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl	7018722	WOBPZFKXPCYOLU-YBFXNURJSA-N	455.944	5.700	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Br)c4)N=C3C)o2)c([N+](=O)[O-])c1	8425804	ZIEHYWRFQVHVCY-ODLFYWEKSA-N	482.290	5.432	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(Br)cc1O	9232302	ZGEKXGRFUFSLHJ-OMCISZLKSA-N	488.787	5.752	10	40	JKCB	
Cc1nnc(SCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)n1Cc1ccccc1	14358306	PCOWUHXIQLQRCL-UHFFFAOYSA-N	484.547	6.036	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	14413823	YPZJDXMORDHMQF-HMAPJEAMSA-N	477.919	5.935	10	40	JKCB	
O=[N+]([O-])c1ccc(/N=N/c2ccc(N(c3ccccc3)c3cccc4ccccc34)s2)c([N+](=O)[O-])c1	16487948	AQZCPOBBXKHHPH-BYYHNAKLSA-N	495.520	8.603	10	40	JKCB	
COCCN(CCOC)Cc1c(O)ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc12	19791752	MAYGRIBVTYGAAV-UHFFFAOYSA-N	495.494	5.021	10	40	JKCB	biogenic
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C	26641785	KZAKAEACAFFOIH-UCQKPKSFSA-N	496.053	6.637	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)S1	32110003	SGMLNNQPDKUDQV-REZTVBANSA-N	455.750	5.332	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1OC	33430366	DGYUGQKPLSJEFU-CXJVOSNZSA-N	471.644	5.888	10	40	JKCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N=C3O)ccc21	33474087	BJYCFSKGIMFKAZ-UYRXBGFRSA-N	473.520	5.540	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc([C@@H](C)CC)cc4)c3C)C(=O)N=C2S1	41082868	UZJNUWWBFVASMQ-YHOPCZPVSA-N	461.635	6.417	10	40	JKCB	
CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccc(N(C)C)cc1	58268739	VNLYDSHDZQRNIU-SANMLTNESA-N	478.596	5.657	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58846505	KGIWIEZOBCZCDO-UNVFRBQDSA-N	474.582	5.629	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58847258	SZYRYNMYIKZDBX-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422847	MOTVRSNPLQCWSM-UFFVCSGVSA-N	499.057	6.049	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)cc21	223486225	AYBXPMKLGVUWIS-JWQCQUIFSA-N	455.631	5.281	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	224201674	HZFNOCOFZZDPRP-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)c1	224240398	BTEPZXYVNAVPDC-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1	224253020	KSMITTLLSUFLJR-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(=O)O)c1	224401849	GYIQJWQMXWCZCM-RPBOFIJWSA-N	486.572	5.504	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12	408530567	MGMDOFKWXQXQNW-PDGQHHTCSA-N	499.206	6.392	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)c1	408771764	COCYKORYEQCUAK-NLRVBDNBSA-N	491.547	5.518	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408777534	BKYQDNPNEXLKJJ-OEAKJJBVSA-N	492.044	5.876	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CCCC1	408785095	FWGKCMWAAAULRK-LFIBNONCSA-N	462.402	5.358	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408970210	CPTHMSTZLZNDRO-STZFKDTASA-N	463.434	6.177	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409055122	JZQDJIARFROEMI-VEILYXNESA-N	498.623	6.377	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OS(=O)(=O)c1ccccc1	409074235	YSTNBSHEWIMEOP-KGENOOAVSA-N	496.972	5.313	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc(Cl)c1OCc1cccc(F)c1	409088007	DLBMYOZHOCBEBR-LELXDKESSA-N	494.009	5.447	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccc(OC(C)C)cc3)c3ccccc23)SC1=S	409122846	CITJQHPIHWLJNI-HAHDFKILSA-N	466.628	5.729	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)c1C	409243113	VPJURBDUPDBAAP-HAHDFKILSA-N	467.500	5.112	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1Br	409327247	IQLNTSWVBKPBRG-KGENOOAVSA-N	484.440	6.797	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1	409328916	AHPIGGJSZYZSKP-HZHRSRAPSA-N	490.606	5.114	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S)c1cccs1	409348113	RGBZQTKLIPKOLO-CXUHLZMHSA-N	491.959	5.116	10	40	JKCB	
Cc1c(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	1088469	DTNXMKYBCQGPQK-BUVRLJJBSA-N	483.955	5.313	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(F)cc1	2380065	DPJHHRRIUWHMFL-HAHDFKILSA-N	469.541	5.218	10	40	JKCB	
O=C1/C(=C/NCc2cccs2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	8694918	BAODPZLTVVWQDF-QGOAFFKASA-N	497.070	6.180	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1c1ccccc1	8712109	XQDHICAZBKBDTB-KOEQRZSOSA-N	453.588	6.825	10	40	JKCB	
CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S	8763443	FJKGJLSSHWKYBU-YORPJTJESA-N	450.629	5.815	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8818971	VUFFAYZFIFCMNN-BRYYZUPOSA-N	488.439	5.661	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1	8914544	KUYXJDDDVSUKHM-CTDSJEBPSA-N	456.542	5.119	10	40	JKCB	
N=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(COc3ccccc3)=NN12	8916738	IVILSLANMKDZCX-HUEMJPGFSA-N	491.576	5.388	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1	9462854	ZIZNOMKRRAURPU-OHMBLGONSA-N	483.597	5.409	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)ccc1OCC(C)C	12285229	MYTMRMGQGTXVMD-XKZIYDEJSA-N	450.535	5.101	10	40	JKCB	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1nc2cc(Cl)ccc2s1	12376070	RRAMKNCKLDTCMB-UNOMPAQXSA-N	460.902	5.692	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1	33628447	ZARXFKHPPOGXRB-HGMBWOCJSA-N	453.571	5.378	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2	58845705	DOYUZJXHIXNTGQ-CEYNDMKZSA-N	495.988	6.184	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223051773	NYAGXGAVYARIBG-PKTZIBPZSA-N	488.579	5.517	10	40	JKCB	
COc1cc(OC)cc(-c2nc(S/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)O)n[nH]2)c1	408631479	FBLRUDLQIIRYJM-YDZHTSKRSA-N	490.585	5.423	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(/N=N/c4ccc(C)c(C)c4)ccc3O)SC2=S)cc1	408728265	YTFCHYWRRCFVQF-AORAWDAISA-N	475.595	6.839	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	408740732	DTEYKIJHBOHSEO-VCHYOVAHSA-N	487.766	7.216	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408762182	JPSKGGPDWWQMGN-KMYAOZERSA-N	474.000	7.342	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408774481	OOMZJLHRQAEVLP-LPYMAVHISA-N	497.414	6.102	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1	408802924	JGAYYZHUEIFTQH-UHFFFAOYSA-N	495.024	5.996	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@@H]4C)C3=O)c2C)cc1C	408814520	VSERGCUIAJINKA-ZKYXZICTSA-N	498.716	7.765	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(F)c3)C2=O)cc1Cl	408901073	ZWCIOMVKYUMUMY-RGVLZGJSSA-N	499.325	5.686	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	409003136	RFDZKCSSAXFTOQ-AQTBWJFISA-N	499.369	6.417	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc2ccccc12	409022816	GEMCSDBRJYECGT-OEAKJJBVSA-N	469.541	5.218	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409058442	XVHTYOZSGBZRSX-PKAZHMFMSA-N	468.597	6.287	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)SC2=S)cc1C	409340074	QAPQZSREYRDOBS-SXGWCWSVSA-N	467.353	5.019	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	654654	XPFHKVYHORWGIQ-OYKKKHCWSA-N	460.961	5.933	10	40	JKCB	
CC(C)CN(Cc1c(O)ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc12)CC(C)C	1747728	RNBFWPYYOMXTCQ-UHFFFAOYSA-N	481.942	6.952	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)cc1	2249352	ILRYYSRJWVBXPL-MOHJPFBDSA-N	488.682	6.498	10	40	JKCB	
CN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2c(Cl)cccc2Cl)SC1=S	8722071	XRQOFSFWSAMHHJ-GIDUJCDVSA-N	479.237	6.710	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)c1	8743066	OMARYOCHCGVSOQ-WSDLNYQXSA-N	458.474	5.126	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1C	8872203	ONFDRQIXQYAGFD-HAVVHWLPSA-N	462.505	6.943	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl	8872261	HGJXRFLEEIPSFR-UCQKPKSFSA-N	482.026	6.329	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1c(Nc1ccccc1)cc1c2nnn1-c1cccc(Br)c1	8931784	ZBGCNWLNYLEUBF-UHFFFAOYSA-N	495.336	5.702	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)SC1=S	9323707	OHINFMDNBJJADN-WUXMJOGZSA-N	490.809	5.133	10	40	JKCB	
COc1ccc(N(c2ccc(OC)cc2)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)s2)cc1	16216865	ZZVLIPINDKZBQQ-OCEACIFDSA-N	460.515	7.559	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC	27563678	WSFLVIYIEMSMKR-CIPTZOQDSA-N	485.627	5.681	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)cc2Cl)cc1	59135166	ISRSUGAHLYNDIY-VXLYETTFSA-N	499.325	6.527	10	40	JKCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)c1	83327744	SOTGZEPGWZFGIW-DEDYPNTBSA-N	464.880	5.873	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1	113834984	WYRKYFMRAVFIAE-YBFXNURJSA-N	467.484	5.477	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[C@H](C)CC1(C)C	208307949	YSIVVTQRUNWGLA-NXUSMQHESA-N	455.023	6.689	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	223759760	UZFIPXAQEGDYLS-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c(C)c1	223863117	RRJVTKYHVJOESO-XCZPVHLTSA-N	482.653	6.297	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224306135	VKSVALJLNXYOGD-MFMCTBQISA-N	494.708	7.208	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1	408764916	NTMORWOCBQIVQR-PXLXIMEGSA-N	480.793	6.003	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1	408807185	OKHKZNGMIVVDSG-FYJGNVAPSA-N	467.308	5.239	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl	408865722	DTUKJGZFFHCMCN-NBVRZTHBSA-N	451.309	5.251	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)c(C)c1	408869149	PELBBHNAZQKWJT-HAHDFKILSA-N	486.593	5.112	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Br	408880566	JTFPRCIRQHMYCM-DEDYPNTBSA-N	495.760	5.360	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O	409040455	XWPLMQAVPAWUJN-XGICHPGQSA-N	465.232	5.077	10	40	JKCB	
CCSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12	409040895	YZIDLCCPBMBUDV-XNTDXEJSSA-N	462.443	6.453	10	40	JKCB	
CCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Br	409041816	JYEUZCOESSFDSQ-UXBLZVDNSA-N	475.211	5.349	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c1	409098582	OIVRARRUCQWYSD-UDWIEESQSA-N	450.516	5.189	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1Br	409100115	UVWCGQGFJNREGC-YBFXNURJSA-N	470.754	5.607	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21	409138064	ZMIPMCMWIOMMGB-IWIPYMOSSA-N	464.656	6.276	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)C2=O)cc1	409248190	GQPTYPVMWVHLNW-RDRPBHBLSA-N	491.591	6.074	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccccc4C)cc3)SC2=S)cc1	409340241	SSFZFAWYUNUEIA-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	1262111	ACHNVKJNKHCMNW-NTUHNPAUSA-N	462.927	5.260	10	40	JKCB	
COc1ccc2c(c1)c(C(=O)COc1ccc3c(c1)oc(=O)c1cc(OC)ccc13)c(C)n2C	2095396	LAYRIGKLGXTFOY-UHFFFAOYSA-N	457.482	5.025	10	40	JKCB	biogenic
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)cc1	2372470	VKQZZKKBTVJWHP-ODLFYWEKSA-N	495.931	7.033	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2427191	NFFZOFQZKRXZAT-UBFVSLLYSA-N	487.477	5.728	10	40	JKCB	
CC(=O)c1cccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)c1	2512759	RCGJOJZVGKEZSY-JOCHJYFZSA-N	484.393	7.022	10	40	JKCB	
Cc1cc(C(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c(C)n1-c1ccc(Cl)cc1	3309826	ZVDGMPVQGMSWOZ-UHFFFAOYSA-N	475.850	6.134	10	40	JKCB	
CCN1C(=O)/C(=C2\C=C(/C=C3\Sc4ccccc4N3CC)c3ccc(C)cc3O2)SC1=S	6147203	DMHRUXWLKBTQBT-JEKQIYOESA-N	478.664	6.336	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(F)c(Cl)c1	8742489	XDVUUBLUKVTHDH-MHWRWJLKSA-N	471.916	5.697	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc(OCc2ccccc2)c1	9189261	WVSZTMJGQBTDIG-BWAHOGKJSA-N	473.573	5.197	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1OCc1ccc(Cl)cc1	14132899	YUNKCPCMFUVBJP-KGENOOAVSA-N	490.943	5.293	10	40	JKCB	
OC1=N[C@H](c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21	15947868	OEAUWZQQDFOQEX-INIZCTEOSA-N	480.181	6.075	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(F)cc12)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288161	SFCWOUGLEDHHOV-UQQQWYQISA-N	483.503	5.072	10	40	JKCB	
COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)o1	33330522	QRELAZPIOQBALA-PDGQHHTCSA-N	464.861	5.202	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)c1	40939879	BTTJGGUDNSDJIQ-PXLXIMEGSA-N	460.580	5.120	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c(Cl)c1	41108190	MQXWXIXIZBEAOZ-BYHVMHSWSA-N	491.979	5.863	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)c(OC)c1	58849218	JMMBQMQDZXVONM-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3Br)N4)sc2c1	58851043	LMCVWPAAEHNRTE-FUMQJTLXSA-N	473.439	7.861	10	40	JKCB	
Cc1c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc2n1Cc1ccccc1F	59135418	VWNSHPIBWAZABK-HYARGMPZSA-N	471.463	5.783	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Br)c([N+](=O)[O-])c1	100925439	JSGMTHFJUHUGAV-WUXMJOGZSA-N	455.095	5.470	10	40	JKCB	
Cc1cc(S(=O)(=O)O)ccc1/N=N\c1ccc(/N=N\c2c(O)ccc3ccccc23)c(C)c1	104390088	QWTSQNJVPXEOLI-FNBANUKLSA-N	460.515	7.240	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C	107824850	WQTQZJABUNRHDF-KGENOOAVSA-N	459.571	5.539	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223308057	WLJSKBTVOZNSKR-BYXVTNLJSA-N	460.647	5.203	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224015610	OUITVOTZQSDINK-KAYWLYCHSA-N	498.608	5.404	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224204255	RRMGUIDYWWQYHH-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
COc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)c2)c1	408574734	CFRFQKMPQICLLG-UCQKPKSFSA-N	490.606	5.427	10	40	JKCB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)O)o2)c1	408632586	JSIICFIRMMWOMN-XKZIYDEJSA-N	477.542	5.379	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Br)c1	408760723	DVCIUWQFZXPNRP-KOEQRZSOSA-N	467.366	6.745	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1	408808544	MMQUQQGFDJUOQX-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c1	408816563	UCUQJESUGWLTMQ-RGVLZGJSSA-N	497.979	5.117	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2Cl)N1c1ccc(O)cc1	408839935	BNRBWJZCLKVDMH-DEDYPNTBSA-N	453.723	5.643	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3cccc(F)c3)C2=O)c(C)c1	408876447	LFLKPIJHMKLFMM-HYARGMPZSA-N	462.908	5.353	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2=O)cc1Br	408985023	KLTUVMGHBIRNAD-PXLXIMEGSA-N	474.398	6.936	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=S)cc1	409055019	XGQFICFYVAGKHW-XKZIYDEJSA-N	453.032	6.457	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O	409105869	JKZUVYKXXMACIB-QGOAFFKASA-N	450.947	5.032	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)c1C	409136085	WUUMMUPIWRIMBR-BOPFTXTBSA-N	471.365	5.702	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1	409145720	PIUUAYIDMSGSGX-SFHVURJKSA-N	453.988	5.248	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O	409229364	NYINZJDPWBLVAD-MTJSOVHGSA-N	485.993	5.014	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1C	409235905	CXIQLGSJSWBLFY-KGENOOAVSA-N	475.976	5.593	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1	409340158	RJRIJPJHBNLLJI-XDHOZWIPSA-N	475.422	6.725	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(C(F)(F)F)=NN1c1ccccc1	1106852	WMCLIXHYLOVTPK-LFIBNONCSA-N	461.783	5.857	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	6600517	KTPDRHHEFZGKKU-XQNSMLJCSA-N	475.591	5.706	10	40	JKCB	
Clc1ccc(-c2sc(/N=N/c3cc(Cl)nc(Cl)c3)c(Cl)c2Nc2ccccc2)cc1	8430905	WZIPEIRTOKCNDN-ZQHSETAFSA-N	494.234	9.583	10	40	JKCB	
Cc1ccc(OC(=O)c2sc3nc(-c4cccs4)cc(-c4ccc(F)cc4)c3c2N)cc1	9240143	MNCQJCMEPNJXDO-UHFFFAOYSA-N	460.555	6.941	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc12	9319520	IUWWTJGSLPGPTR-AWEZNQCLSA-N	451.906	5.300	10	40	JKCB	biogenic
Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	9805306	LSOJCHFFAGKRCU-ULJHMMPZSA-N	461.608	5.854	10	40	JKCB	
Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1C	12223359	LEELCBDZKPLCNC-PDGQHHTCSA-N	475.433	5.296	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OC(=O)c1ccc(F)cc1	13041292	UEHRNZZDGWKFPT-HMAPJEAMSA-N	462.502	5.444	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16429440	IFDCDLFASLJJQB-WQRHYEAKSA-N	453.457	5.169	10	40	JKCB	
CCCCCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3F)c3ccccc32)SC1=S	16805604	LQKHTQJZBPQQRH-MRCUWXFGSA-N	454.592	5.524	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(OCC)c3)C(=O)N=C2S1	27549277	BHWPAPGWEPHNOU-ITFAFNGDSA-N	480.565	5.613	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)SC1=S	32124925	PBAGRRVHUAFFRR-HMAPJEAMSA-N	494.619	6.469	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	35039857	WYBWLAYXWJKMCM-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1OC	59484939	JBQOLHUUABUJHA-UHFFFAOYSA-N	472.566	5.069	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(Br)cc1	98086446	OFODZGQFVJUCBG-CXUHLZMHSA-N	484.824	5.521	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	223054359	IMTGMKBZCARLNM-GOTSBHOMSA-N	499.478	5.261	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)cc1	223462615	FKZZTDAUZQUFQP-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224403296	VQBCWYXBMSYAGV-XNMGPUDCSA-N	470.617	6.422	10	40	JKCB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)c(Cl)c3)cc2)C1	225691122	CJZHHLYMYINOAP-AWEZNQCLSA-N	452.849	5.825	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408864921	AMEZMHJPQZCTJL-GZTJUZNOSA-N	469.299	5.390	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408882102	PSVGIFYGRLUYNS-WKRCLWGVSA-N	489.399	5.253	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C	408965068	FYVAXNDCNZSWGP-XDHOZWIPSA-N	498.435	5.795	10	40	JKCB	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	409004656	XWXLGMKZYXIDEB-WJIXIFOBSA-N	498.608	5.939	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409024116	WIPRRRCDWUHYTH-XYGWBWBKSA-N	455.510	5.151	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1cccc(F)c1	409142771	DFOCUGUUZFGXFS-QHCPKHFHSA-N	482.602	5.170	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OC	409196947	SZRUPHLMODXZEW-LPXFMOJISA-N	478.433	6.041	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1	409202448	SIUYGHDICWSLQZ-HYARGMPZSA-N	450.585	5.230	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1ccc(Cl)cc1	409216683	NXGULQVRSCGQTF-WQRHYEAKSA-N	465.905	7.025	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1C	409329345	FCPUVGOPGCQEDO-HZHRSRAPSA-N	496.654	5.555	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc4ccccc4c3)SC2=S)c1	409329415	FSHFHSVKEHMDQR-QQXSKIMKSA-N	499.682	7.547	10	40	JKCB	
COc1ccc(C(=O)c2coc3ccc(O)c(CN(C)Cc4ccccc4)c23)c(OC)c1OC	604418665	AOEHSXWTIXJIKE-UHFFFAOYSA-N	461.514	5.027	10	40	JKCB	
CN(CCc1ccccc1)c1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1	643574184	HZONFOPZAWXXFP-UHFFFAOYSA-N	456.634	5.461	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C	1183058	VTQQUJJNVRIAPJ-YVLHZVERSA-N	464.406	5.176	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	8819758	PIXXQCTYILSWFC-ZHZULCJRSA-N	492.588	6.414	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([C@H](C)CC)cc4)cc3)C(=O)N=C2S1	8922142	XFFUQGCIMNYDFR-ABLPTNAPSA-N	476.602	5.687	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1C	9293441	HFPWMBAGIRHCMM-OAXZUEFOSA-N	488.016	6.032	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(Cl)c1	9296438	BRHAFOHVFXDGDZ-CIAFOILYSA-N	472.418	6.978	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	13810825	YQFRMYAMNXQDGA-HHTSZTKCSA-N	493.419	6.705	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc([C@H](C)CC)cc3)C2=O)cc1	13940698	ATOKWDIIQZKAIK-KHKYUJEISA-N	485.584	6.150	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1	16678631	SRPNAFGQKCJVRL-UHFFFAOYSA-N	462.550	5.607	10	40	JKCB	
COc1ccc(N2CCN([C@H](c3ccccc3)c3nnc(-c4ccccc4Cl)o3)CC2)cc1	20249060	CKIFAYPZHGFDHT-XMMPIXPASA-N	460.965	5.310	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(C)cc1)N1CCOCC1)c(O)c1ccccc12	24303257	IJYZTZLQIZHYNB-VWLOTQADSA-N	459.542	5.507	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c(C)c1	33714967	WUUQUVUMGVZIPB-JHKOBTARSA-N	483.597	5.409	10	40	JKCB	
CN(C)c1ccc(C=C2C(=O)N(c3cccc(Cl)c3)C(=O)N(c3cccc(Cl)c3)C2=O)cc1	33757106	TULWIXRCIMFGIZ-UHFFFAOYSA-N	480.351	5.643	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	33900255	CKGMMZDPBCGLSI-OXHRAQFOSA-N	486.306	5.582	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	33932695	FCOSCRUPAVJMAD-NVOZUQLISA-N	482.053	6.646	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	35313785	JUFWKKRSUDMWSL-XHPQRKPJSA-N	461.517	6.509	10	40	JKCB	
O=C(C1=CN(c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2S1(=O)=O)N1CCCC1	49003872	OTRKKOOVCUFLGB-UHFFFAOYSA-N	457.766	5.036	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	102258558	LJIWTCOZEBXBSZ-DGQTTZFYSA-N	473.635	5.606	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	103920917	FOGWNDRTCAMPST-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Br)c3)S2)cc1	107713957	OMOBMWCTLVLUBI-LPYMAVHISA-N	497.389	6.558	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	110422540	APIRMFVTQHIMTO-WHFMNGSISA-N	470.660	5.313	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1Cl	223349400	JWYOSCIFOZTTBN-RPWUZVMVSA-N	497.451	6.562	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223504051	LNAFAUFUGOZFRB-IAPPQJPRSA-N	481.669	5.928	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223760958	ORZJTUJYHMVMCV-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C	224565417	XKTNOOFGEULADD-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/Nc1ccc(F)c(Cl)c1	408532541	QHKCRJXUSDSNNE-KGENOOAVSA-N	493.966	5.526	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1	408762075	MSHHIDRGHXOHCE-FYJGNVAPSA-N	451.295	5.431	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1	408766910	WUHQGDVTCCGHBR-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	408817456	VRVJSPLCWNLDIC-MDWZMJQESA-N	453.709	5.102	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	408873466	UKKIMAVPTVGQIK-WPWMEQJKSA-N	476.532	5.419	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1ccccc1F	408938560	KYVGRMAQHOTWGQ-FYJGNVAPSA-N	492.934	5.899	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409071656	OVLCVABRDBZRAS-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1	409140186	FVCYIETZBLZJQJ-NHFJDJAPSA-N	472.654	7.106	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409180131	VYYDAMGKYNQUPB-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1cccc2ccccc12	409330986	MUWZIPBJXCMUSJ-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@H]43)c(O)c(Cl)cc2c2c1CCC2	1614472261	VPWAHDXHQXMJPT-WBYKHBECSA-N	481.036	5.036	10	40	JKCB	biogenic
CCOC(=O)c1c(NCc2cc(Br)cc(Br)c2O)sc2c1CCCC2	1830592	XDBUEPDDPGVTBZ-UHFFFAOYSA-N	489.229	5.646	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	2059582	YDBXLFGHERCAIV-BUVRLJJBSA-N	496.053	6.719	10	40	JKCB	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12	2239485	AOZNCDMRDDHWDM-WQRHYEAKSA-N	494.334	5.251	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1	2274138	BYGRSWDZWJOAGF-PDGQHHTCSA-N	483.343	5.168	10	40	JKCB	
COc1ccc(C(=O)COC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	6924773	HPKQDPHFWAYROK-UHFFFAOYSA-N	472.500	6.138	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1Cl	8741410	GHUUQHVALIMYIM-NDENLUEZSA-N	463.921	5.571	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	8821293	SXISFIPSSVMJER-UQQQWYQISA-N	494.081	7.667	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1cccs1	9183503	MRVSEHDDVSSGTP-HBBMIWKISA-N	481.620	5.938	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c1C	9209457	ACWUZHJVLOLNLF-HEXRROBQSA-N	474.977	5.118	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1	9309033	SOJOFJSJIWNJAB-BDPOZWGGSA-N	457.534	5.209	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1	9510813	BGOZRZUMDOFBAE-JFENUBAZSA-N	482.454	6.454	10	40	JKCB	
Cc1c(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c2ccccc2n1Cc1ccccc1F	9680398	HMNHIIBMPIHKJG-ZHSAXHDMSA-N	499.615	6.337	10	40	JKCB	
Cc1cc(C(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)c(C)n1-c1ccccc1F	12557312	XKUWBUFMMAAUMV-UHFFFAOYSA-N	469.438	5.359	10	40	JKCB	
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)cc2)N3)cc1	14166026	MKHLHZXTUGWPHE-DPLHUUCSSA-N	480.973	5.666	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1OC	26965619	ZJKZSRIZWWXURY-HYARGMPZSA-N	486.014	6.061	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847747	SNJVHPPTLDYKMF-WZOHSFFVSA-N	485.436	6.929	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	58848504	NCMPDMYCDDZRMU-SGIRGMQISA-N	477.542	5.231	10	40	JKCB	
COc1ccccc1/C=C1/C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)N=C1O	59860335	ALDMTGODLHTUAT-YDZHTSKRSA-N	456.542	5.670	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(C(C)(C)C)c1O	96505163	PIUFONCBDWNAHR-XDHOZWIPSA-N	493.616	7.412	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc2ccccc12	106683683	IZSTVADYMNNDOG-MYYYXRDXSA-N	472.997	7.137	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc21	208468117	OOVQIBMRNWJAIT-JJFYIABZSA-N	496.032	5.955	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C	223061175	BKGDQXCXDJJKGS-RSXGOPAZSA-N	462.663	5.369	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223764007	ZOFGOHKQIJHFCY-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	224208832	ZRBPQWNPGWNIBU-CLJLJLNGSA-N	453.615	5.678	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224398160	KODCOIPPXGIVGP-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1NC(C)=O	225332460	ITUGHGPYMMGWJM-SXOMAYOGSA-N	497.624	5.325	10	40	JKCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc3ccccc3c2)SC1=S	256055773	SOMSBECNGOKEQO-YVUGPFRESA-N	462.596	5.128	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260567982	NACNSQUFYIWEGX-MMTNMYCKSA-N	475.658	5.501	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c(C)c1	408767600	MYOGUVQWOQEPEQ-LFVJCYFKSA-N	485.653	5.840	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)cc1	408879185	BZEMCYAFHFCJGO-UCQKPKSFSA-N	495.442	6.656	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	408899243	OKPISVGYHCYEKA-LPYMAVHISA-N	474.944	5.511	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)SC1=S	409005992	HYZDQTZKHAPZTJ-YVLHZVERSA-N	479.377	5.157	10	40	JKCB	
Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1	409029378	AFNIQCYEYKIHEK-JAIQZWGSSA-N	476.461	6.194	10	40	JKCB	
CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O	409048732	SVXSAMAMIUQLHM-VGOFMYFVSA-N	453.709	5.020	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1	409212106	QDEADDNFGMNTSU-PCLIKHOPSA-N	488.563	5.107	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccc(OC)cc2)C1=O	409329551	FUPCLFUAOWIHPB-JCMHNJIXSA-N	478.595	5.183	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)cc1	409339107	RXUVMQQUZQGVRK-MTJSOVHGSA-N	493.522	6.010	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OCC)c2)SC1=S	409344763	GYTSZZJNZCLFQJ-KGENOOAVSA-N	470.616	5.022	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N[C@H](C)c3ccccc3)nc12	1103803	KVOHTKFXNQAKPX-VJOZSWGJSA-N	478.643	5.033	10	40	JKCB	
C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1	1340028	STQKMJWDAHDDCF-HXUWFJFHSA-N	492.088	7.164	10	40	JKCB	
COc1ccc(OC)c(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	3338444	AAEVRQSCVILAIL-LFYBBSHMSA-N	498.373	5.313	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1	3769023	HYHFOKWHULNBQB-SRZZPIQSSA-N	473.953	6.603	10	40	JKCB	
CSc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(C)c(C)cc4s3)C2=O)cc1	6019473	PXMNMPNLLYUNHV-JCMHNJIXSA-N	455.608	6.470	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2[N+](=O)[O-])C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1	8846307	SBKXEJAKISCTBF-BOPFTXTBSA-N	456.285	6.276	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9089621	QLFPNAWQGVLPOU-CYXNTTPDSA-N	467.952	5.671	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	9193473	MYGXGUHYLDGSJO-ITCQOWKOSA-N	469.614	6.447	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)c2)cc1C	9232368	RECIPLRTMWJSAK-UCQKPKSFSA-N	491.638	5.277	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2Sc3ccccc3N12	9237244	NGZVFNSMCXKWOS-BRWNIOCJSA-N	487.580	6.039	10	40	JKCB	
CCN(CC)c1ccc2c(c1)OC1=N[C@H](c3ccc(Cl)cc3)n3c(nc4ccccc43)C1=C2	9360229	AZPIXJNEGGINRL-VWLOTQADSA-N	454.961	6.428	10	40	JKCB	
Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1	13041290	KMELNGXHGSUDMN-FYJGNVAPSA-N	459.483	5.205	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)ccc1Cl	13603072	MVXSGPLUMYZMAM-PDGQHHTCSA-N	488.849	6.212	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	14009558	XPDGMKGBXDMNNV-IMRQLAEWSA-N	484.596	5.326	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	15013079	ADYUYJZHXMTBQT-JAIQZWGSSA-N	454.313	5.067	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	33714465	IQTTWPHJWATLLC-KZVRHOHFSA-N	482.053	6.646	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	34856226	YKNVNAPPNSCPLD-KQWNVCNZSA-N	456.454	5.264	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)c1	58846398	HQTWPXSSOGSYPS-BOCWGRARSA-N	488.653	6.718	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847371	YCIZPMXCLHLTIF-YZUZCNPQSA-N	454.954	6.106	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	223254878	CTSKIAPQVNVTTD-DHIUTWEWSA-N	487.595	5.042	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223465450	GJLWRQURQZUDPO-SVBPBHIXSA-N	467.642	5.674	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223795188	PAGONXGLWAVWAZ-KAYWLYCHSA-N	468.626	6.065	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223973641	NUQLMURQERLNNH-RRPNLBNLSA-N	499.615	5.764	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)nc1	224470810	RTBYPJBAZVETTF-RPBOFIJWSA-N	474.033	6.023	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)c1	408739348	VSLSFIRJTDTHIT-DEDYPNTBSA-N	490.353	5.716	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc([N+](=O)[O-])cc3C)C2=O)cc1OC	408753941	OUPZMRQLTMQHQL-CPNJWEJPSA-N	476.916	6.045	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O	408893931	HBJLQUCSTMBAJY-CPNJWEJPSA-N	464.880	5.033	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)C(=O)NC2=S)c(C)c1	408988417	DKMOSWQNMATHPF-XMHGGMMESA-N	485.590	5.427	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)ccc1OCC(C)C	409147289	WDENZOYXNFTWFX-JAIQZWGSSA-N	491.034	5.238	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C	409173398	MDCAKJLTRIHHTN-YBFXNURJSA-N	456.329	5.507	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)c1	409228574	ZJTJXXKGODDYDD-MFKUBSTISA-N	453.517	5.538	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1cccc(F)c1	409375929	QZQUYTHAAMTHDM-SYZQJQIISA-N	452.315	5.645	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Br)cc1	1183381	ZDPYRKDOSCLZPF-LFIBNONCSA-N	481.824	5.333	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	3001083	NIXVAETWIAIJNM-OEAKJJBVSA-N	492.578	5.584	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)c1	9193228	VEQXJUVXURRIAI-WNGCWRAYSA-N	499.665	6.221	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310269	SZADRLACYZVNDD-WOJGMQOQSA-N	453.457	5.169	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1Cc1ccccc1	9635970	APERSHCTPRYZOS-UQQQWYQISA-N	470.619	6.122	10	40	JKCB	
COc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)cc1	9805538	PCSYBHJDHIUHPR-HAHDFKILSA-N	498.025	6.212	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(CC)C3=O)c2)cc1	12349800	ATNVMGQMFSILJN-ZVTCDHROSA-N	455.645	6.269	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2ccc(C)cc2C)cc1	20288913	CKZCDRUKIWXAIK-MOHJPFBDSA-N	468.582	6.059	10	40	JKCB	
Cc1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	33430268	HQHYJTADZBWCIF-BWAHOGKJSA-N	475.635	6.244	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1C	34718437	JGVUITWNLIAEJZ-HGMBWOCJSA-N	459.619	5.910	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)cc1	34868886	AQEZXYLYBDUKIY-ODLFYWEKSA-N	453.325	5.342	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)o1	208691491	ATSKDSOOTLPTRN-ODLFYWEKSA-N	456.476	5.408	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)nc1	223392766	JJVZUIXXNQPRPR-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224187850	NGWURNSFHQHXEG-UIOOFZCWSA-N	482.609	5.453	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1	224229827	NMDMDMKUVVACRM-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)cc1	224550810	AJGLCZNKLNVLIZ-FTJBHMTQSA-N	470.598	5.375	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)cc1	225358685	INJDACGJZGEBMR-WUFINQPMSA-N	498.652	6.154	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	225546286	ZZTHFCUVJUNENC-HOSHDJOUSA-N	487.669	5.941	10	40	JKCB	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C	408757721	PJMRVGZCRAGZTC-HYARGMPZSA-N	475.379	6.755	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1	408775984	LPZKMYHBSSREPX-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	408807665	DSPZVQMGYCGUIL-MFKUBSTISA-N	496.950	6.047	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	408862352	GXNJZOHXGXDCFY-VBHSOAQHSA-N	455.179	6.600	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1cccc2ccccc12	409244069	WZWRADMMJVGLNM-YZSQISJMSA-N	493.632	6.202	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)o1	409249807	LPKKCVNAEXCBII-FYJGNVAPSA-N	475.526	5.118	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(C)C	409329845	HKDDDRJLVGAERW-BUVRLJJBSA-N	463.624	6.679	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCCOc4ccccc4)c3)SC2=S)cc1	409351305	TUTZWYUNZGASGF-QJOMJCCJSA-N	463.580	5.559	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccc(Cl)cc1	8767926	YFURKOIMFJAGNG-BOPFTXTBSA-N	471.694	5.869	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2nc(-c3ccccc3)cs2)C1=O	8819334	MJOGCMGLMOFTCJ-UYRXBGFRSA-N	481.624	5.049	10	40	JKCB	
O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1	8821700	SMEOOGAZMHSQRN-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1	9309661	ZQVCHVFMBAJJJL-JNMYDYDMSA-N	453.999	5.803	10	40	JKCB	
CCCCCCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c(O)cc1O	17783036	MZLFIOSNNBVWRF-CYYJNZCTSA-N	469.567	5.535	10	40	JKCB	
Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1/N=N/c1ccccc1	18193397	WRLDGNLIKXZOFS-QAVVBOBSSA-N	473.522	5.273	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1C	33390842	SSRSJYCFEMVSNY-MOSHPQCFSA-N	478.035	5.644	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c3ccccc32)cc1	33423324	MMPYSTPJBVRJPP-XIEYBQDHSA-N	485.584	6.054	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	35843319	CHLPFJRWDPCCPG-ZONZVBGPSA-N	497.978	5.761	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)s1	38801525	HKXZTVSRJZMCIN-UHFFFAOYSA-N	456.770	5.196	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(Cl)cc3Cl)N4)sc2c1	58851150	TXMDGVIUMRXIMM-FUMQJTLXSA-N	463.433	8.405	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)c1	102474879	SMNSSKDYAZDTKU-LFVJCYFKSA-N	491.682	6.575	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Br	106685856	SHUUVDOJKFHNDL-YVLHZVERSA-N	451.773	5.405	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)c2C)cc1	106727207	QKKYXUBGDVFDHS-XKZIYDEJSA-N	463.515	5.247	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1	208219030	KFNPFHNMWWEEPK-GLFIFPSUSA-N	479.602	5.092	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223422236	DNSJHZXVPQENHW-SVBPBHIXSA-N	484.625	5.376	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1cc(C)cc(C)c1	224536580	FMBUBIDOEAOCLY-UHFFFAOYSA-N	474.601	5.252	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(F)c2)c1C	224566430	KPNHXPVLZBHVQY-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
C[C@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735137	JXSVGVVSABLJGS-SFHVURJKSA-N	470.601	7.237	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccccc1O	408738126	OZSHPGYGYVIYAY-CAPFRKAQSA-N	450.450	6.032	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(OCc2ccccc2)ccc2ccccc12	408773011	OYEVGHHHGQGYJU-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc(F)c1	408898806	XSPNESUUEFMIJX-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1	408986383	QEPGLESTPHDAKL-LTGZKZEYSA-N	458.945	6.168	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409060833	WJNWIFIOZXUZMI-QRQIAZFYSA-N	482.624	6.712	10	40	JKCB	
COc1ccccc1/C=C1/SC(=S)N(c2cccc(C(=O)Nc3ccc(F)cc3)c2)C1=O	409106433	NEIPFYZCFQEYSS-KGENOOAVSA-N	464.543	5.492	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(n4c(C)ccc4C)C3=O)c3ccccc32)cc1	409207095	OXUWOLTXKJLRIW-OYKKKHCWSA-N	457.624	5.954	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1	2383394	FPHMTWBZCMGQRO-BWAHOGKJSA-N	486.641	6.030	10	40	JKCB	
CCCCNc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	3279527	HMYRLFWLYNBNPO-UHFFFAOYSA-N	472.507	6.365	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2)c(C)n1-c1ccc(OC(F)F)cc1	3291847	OPEHJBREHLSZCM-LFYBBSHMSA-N	459.876	5.788	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	8818210	PDWBUVYZZWZJME-ZJRBDENDSA-N	471.586	5.448	10	40	JKCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(-c5cc(Cl)ccc5Cl)o4)S3)CC2)c1	9057777	DHNWWYCGUWFCID-HZHRSRAPSA-N	498.435	6.354	10	40	JKCB	
CC(C)(C)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1	19789753	JWQGTYYCCAZGGT-UHFFFAOYSA-N	489.534	6.983	10	40	JKCB	
C/C(Nc1cccc2ccccc12)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288314	WJIDHAUAWYIYRH-BWAHOGKJSA-N	460.562	6.587	10	40	JKCB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	20797403	AQWIAHCGOFRINP-XMMPIXPASA-N	457.965	5.683	10	40	JKCB	
O=C(OCCOc1cccc(Br)c1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	25387677	IVENFMCLQZFHKS-UHFFFAOYSA-N	485.717	5.114	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	33331128	QGNZSVZJCSFFAQ-YVLHZVERSA-N	488.758	6.312	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1	58846693	AFGSONPRNDYDGW-UZINWLIJSA-N	475.570	5.839	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	223609450	QXYWLBPLKDIIAC-TTXZLZEXSA-N	491.657	5.336	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224337779	NLGPJXCLPYRKRL-SXOMAYOGSA-N	496.636	5.927	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C	224565294	GBCLYMAJDSZWHI-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)cc21	260925570	VQXYEGCJOOSGHQ-BJKOFHAPSA-N	467.082	6.282	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(=O)O)c3)C2=O)cc1OC	408760701	DLVDMETXRHKKOT-XDHOZWIPSA-N	461.901	5.527	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)S2)cc1	408775967	LEWLTJZAPPLKFH-IZBTWGKQSA-N	482.993	5.818	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1C	408776358	ZIRWWMMYSBONMJ-RCCKNPSSSA-N	454.482	5.470	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl	408809321	GXXCRRCGHAJIKX-HYARGMPZSA-N	490.943	5.373	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1cc(C)cc(C)c1	408873574	SERWRHYLKNEUMW-JLPGSUDCSA-N	470.594	5.124	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409021923	AGEFHCZPDOYAPJ-XYGWBWBKSA-N	483.564	5.768	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C	409134703	XEDDLNSBYZJLKS-BUVRLJJBSA-N	465.018	6.725	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)o2)ccc1Cl	409209686	HTHDKCGRVRRQDI-FYJGNVAPSA-N	483.998	6.491	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O	409235382	OWGAJSUDTWPSFT-PXLXIMEGSA-N	471.557	5.085	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S	654507	PPLYAMBRVPONNA-XDHOZWIPSA-N	486.435	5.122	10	40	JKCB	
O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)cc1Cl	1738260	LPZAHIALXLLSSL-UHFFFAOYSA-N	463.773	6.005	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(Cl)cc1Cl	8819608	UEZPLHHTESXVOC-NVMNQCDNSA-N	495.409	5.342	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1Br	8819683	JDMXDCQWRVDHFH-CYVLTUHYSA-N	489.460	5.849	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3)C2=O)cc1	8819835	QNOFYQUTKULQLX-PGMHBOJBSA-N	454.617	5.404	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310258	AURAUIYAHKBZEQ-FYJGNVAPSA-N	482.970	6.233	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(C)cc2)cc1	9425726	XITWCYQPYPCIMC-JWGURIENSA-N	485.634	6.582	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1	9462772	LJSRTWGUOOWKCK-JHKOBTARSA-N	499.596	5.109	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1C	12285182	NLKOLVCIDKMSFE-IWIPYMOSSA-N	461.608	6.297	10	40	JKCB	
Cc1c(C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)oc2ccccc12	13540337	RMSVAQYSSYMHRL-KOMLCTQHSA-N	479.579	5.341	10	40	JKCB	
Cc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)c1	13939876	LGIIWEVTERILFV-ULJHMMPZSA-N	496.053	6.902	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	16268378	AMWRDTXBKUFBEL-IWIPYMOSSA-N	475.038	7.307	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1	27519408	UDJAGTJPKMKCMP-RCCKNPSSSA-N	472.371	8.033	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1cccc(F)c1	33741830	CJZKYQVMYUDBDO-WQRHYEAKSA-N	496.423	5.787	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(c2ccccc2)=NN1c1ccccc1	40007078	AUHRHPALHKPLJV-ONUIUJJFSA-N	499.397	7.407	10	40	JKCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1cc3c(cc1Br)OCO3)[C@H]1CC=C[C@@H]21	58928860	ZLRXCEHGQKORSD-LIBAHTEVSA-N	493.151	5.465	10	40	JKCB	
COc1ccc(C2=C/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)O2)cc1	59425990	IAESVFKDHCBHPF-UVTDQMKNSA-N	468.259	5.607	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccccc1F	83293641	UJFXIUCSMVMQPR-WQRHYEAKSA-N	451.972	5.678	10	40	JKCB	
O=C1/C(=C\Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)SC(=S)N1c1ccccc1	86013181	BRHITEGYCPOAKI-SFQUDFHCSA-N	477.558	6.071	10	40	JKCB	
CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@H]3c2ccc(OCC)cc2)cc1	97965272	LYYLCDGJQSYBOM-YUEZXFGGSA-N	459.550	5.917	10	40	JKCB	
CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4ccc5ccccc5n4)c(=O)oc23)C1	100651012	VEFJOPJDVUJAHM-OLILMLBXSA-N	454.570	6.114	10	40	JKCB	
CCN(CC)c1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3OC)cc3ccccc23)cc1	102455628	VVGWYLVRDXEXRQ-NVQSTNCTSA-N	468.557	7.068	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224167576	JLDZCKQBMNVBMU-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224167904	XYIISAZGZJRDHO-UIOOFZCWSA-N	454.599	5.675	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225031513	LYGXUKFOSHRPOO-RPBOFIJWSA-N	474.630	5.191	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)SC2=S)cc1	408575611	NNXFIBVEUYUZJJ-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
CC(C)Oc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	408832765	IXHZISHQDUJQKB-ZSOIEALJSA-N	487.261	5.466	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1Br	408872530	FVLUSJZNKAAUOA-UHFFFAOYSA-N	477.314	5.041	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409023180	XKPUPKFIMJBSGS-AUFPJITRSA-N	483.564	5.708	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)cc1	409024452	YMMQTQFDMLVEMR-BUVRLJJBSA-N	475.589	5.407	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409062514	VYKQIHBWQKJNGL-QRVIBDJDSA-N	495.406	6.587	10	40	JKCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O	409106833	POCMSIPGHNSCCM-NHDPSOOVSA-N	476.957	5.333	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1	409126277	FENZVFWDYMBXGP-PVFDWLMNSA-N	482.602	5.240	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1	409187174	NAVLSDOQTKBXAE-CPNJWEJPSA-N	498.366	5.466	10	40	JKCB	
CC(C)Oc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409338754	AGGPNTYXTREEEQ-MFOYZWKCSA-N	468.825	6.296	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S	2666925	RAWKWRKWWVIIIC-KQWNVCNZSA-N	475.683	6.856	10	40	JKCB	
Cc1cc(C)c(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1	2700559	DIIQUFGARKPLGK-RGEXLXHISA-N	458.674	6.074	10	40	JKCB	
CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc(Cl)c(Cl)c1	8442807	USKJDBNRLJZYQR-AREMUKBSSA-N	495.410	5.758	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c1C	8738782	HOYGUQUCWPBJQM-VKPUNFQASA-N	485.638	5.913	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1	8821126	YFMCGKDALMBMMZ-PXLXIMEGSA-N	462.531	5.783	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc(NC(=S)NC(=O)C3c4ccccc4Oc4ccccc43)ccc21	9090002	OLBOHPRQMBAQJF-UHFFFAOYSA-N	490.540	5.213	10	40	JKCB	
O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccccc1OCc1ccccc1	9189269	BXWJMWCDEBTDPI-BWAHOGKJSA-N	473.573	5.197	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9236515	XLTNGZGKXWDQNF-DSITVLBTSA-N	453.925	5.362	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1Cl	9293280	PXLOCQVYXYZISX-UOIDATNWSA-N	455.971	5.031	10	40	JKCB	
Cc1ccc(C(=O)COC(=O)c2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	9348591	VFSIURHFZJYNJB-UHFFFAOYSA-N	456.501	6.438	10	40	JKCB	
Cc1ccc(C)c(-n2nc(C)c(/C=C3\SC(=S)N(c4cccc(C(=O)O)c4)C3=O)c2Cl)c1	12922507	VIDMBXCTQKLSMJ-ODLFYWEKSA-N	484.002	5.555	10	40	JKCB	
CN(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(Cl)cc2)cc1	13025192	CRTLACUAQPDCTR-DEOSSOPVSA-N	465.981	5.446	10	40	JKCB	
O=C1/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC(=S)N1Cc1ccc(F)cc1	15227841	VAALCUQACWCFMO-DQRAZIAOSA-N	495.000	5.798	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1	16678549	FGAZMXAKOFDCTO-RIYZIHGNSA-N	480.395	7.300	10	40	JKCB	
CCCCN(CCCC)Cc1c(O)ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc12	19789775	CPEFQCYOBCNXHJ-UHFFFAOYSA-N	493.522	6.721	10	40	JKCB	biogenic
CCCc1nn2c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c(-c3ccccc3)nc2s1	41074295	NKRQAVUPIORUGM-JVWWFMRHSA-N	496.621	5.715	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58846545	QGOROOYAVJTXEB-JWZKTCGFSA-N	490.625	5.948	10	40	JKCB	
C/C(Nc1cc(Cl)cc(Cl)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	103920927	JDNKVPWEMCBYLC-STZFKDTASA-N	467.312	6.039	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223348983	FFYHQTSRHNQVJN-WUFINQPMSA-N	499.684	6.101	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(F)cc1	223535739	IORRAOMOXLBXNU-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223795415	AKLUWWKWAMJKCU-VSGBNLITSA-N	482.653	6.373	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224202284	MHVYUBGZIMTTHI-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224273766	SIDKZGIIJOPIIZ-KAYWLYCHSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(C(=O)O)c1	224434924	UGURFDQJCGUGFA-JWQCQUIFSA-N	486.572	5.504	10	40	JKCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2)n1-c1ccccc1	225539433	KHOIOJUGIXTTGD-SXOMAYOGSA-N	481.625	5.182	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C2=O)cc1	408739732	DZKIZDAZQAEKOS-NDENLUEZSA-N	498.366	5.466	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(Br)c2)cc1	408763742	OQLXOFWDLIFNNB-RGVLZGJSSA-N	461.315	5.321	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(O)cc3)C2=O)cc1	408841458	JDQHQQHJLMCSHK-PXLXIMEGSA-N	462.347	5.055	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1C	408845510	GBIQCKHRJWBSAF-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	408903167	VBKAYIDQOYCHDQ-FYJGNVAPSA-N	486.445	7.287	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3O)SC2=S)c1	409104737	HTOGYFDAXRDGAM-DEDYPNTBSA-N	450.516	5.189	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1OC	409338970	COKYHMJYPNBRPJ-VIZOYTHASA-N	460.791	6.070	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	8674145	FRLVTHSQQRTALA-LZCXECNNSA-N	481.017	6.284	10	40	JKCB	aggregator
CCN(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820547	GAVMKZOTAJORCI-SWWYLKJPSA-N	450.629	5.273	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S	8821329	ACLWFNBCCZYDMV-CNJGYECJSA-N	476.019	5.620	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3)c(Cl)c2)SC1=S	9660006	SHYCPKCUBVRCAX-ULJHMMPZSA-N	496.053	6.902	10	40	JKCB	
O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1nc(-c2ccccc2)cs1	12032255	ABGMIBPVPFMMOM-YVLHZVERSA-N	472.016	5.303	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)SC2=S)c1C	12630979	KZCYVGSKWOGQIN-NDENLUEZSA-N	469.971	6.175	10	40	JKCB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)cc1	16610548	HVJFSSUAPSJZKK-HXUWFJFHSA-N	471.601	6.872	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(OC)cc23)cc1	20288819	NJHPEJLCAHDVAR-IMRQLAEWSA-N	498.558	5.181	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58847378	RJKJCPYVINIZOE-YZUZCNPQSA-N	471.409	6.621	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)c1	58849851	IJECRNJNOKJVOH-VRUMLPLGSA-N	474.582	5.629	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCC(=O)Nc4cccc(C)c4)c3)S2)cc1	107992155	PEJITTYWEVFLKB-HAHDFKILSA-N	457.555	5.403	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)cc1	208240508	IEMYKIRQGBTPOS-BKQORJHRSA-N	451.954	5.037	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223350045	VCKTZYDEDSBNOQ-AOYPEHQESA-N	456.615	5.872	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223600489	QPMSOBJBRCTIGF-KOWBDXASSA-N	496.076	5.980	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224434408	MYMPKPZFOBSFCU-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(Cl)c(C)c1	224547540	IZNCGXLJJAJONB-UHFFFAOYSA-N	495.019	5.597	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)c1	408804872	ZUNQALSJIGMCLU-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1	408840658	CXHLOPFBHHDZSY-CPNJWEJPSA-N	466.266	5.331	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2Br)cc1	408842580	OSZAOERZDUASJK-XSFVSMFZSA-N	462.303	5.500	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C2=O)cc1Cl	408984379	QHLVKMSDVNWLOG-JMIUGGIZSA-N	482.367	5.684	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1Br	409018684	XPTQOWYJWIMXMU-UDWIEESQSA-N	468.326	5.089	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)c2ccccc21	409204670	JIBNCFRFMDUDKE-ZXVVBBHZSA-N	464.609	7.059	10	40	JKCB	
CCOC(=O)c1c(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)sc2c1CCCC2	409335365	WFQYFLGXBJWXIX-QHCPKHFHSA-N	458.583	6.259	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3CCOc3cccc(C)c3)C2=O)cc1	9166281	JFKWYPGZMMWJGP-HBTCSRNFSA-N	471.557	5.055	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)c1C	13810676	HXEAXJDJTXUWPV-JHKOBTARSA-N	452.583	6.015	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	13897925	IXYUWXPGVCWYSY-GZTJUZNOSA-N	471.694	5.029	10	40	JKCB	
Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	15153187	XYKSOVCAKHBTKD-CQSZACIVSA-N	471.896	5.333	10	40	JKCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O	16607592	ULCQYNQPTOKSMJ-CJLVFECKSA-N	498.539	5.008	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4CC)c(O)ccc3c2=O)cc1	19793036	MWWJRPJENUISAC-KRWDZBQOSA-N	475.507	6.637	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccccc4)o3)SC2=S)c1	20324596	NCWJGHXUVFXRDJ-PDGQHHTCSA-N	453.566	5.676	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)c(C)c4)c(Cl)c3)C(=O)N=C2S1	41083466	ZDTFQNSELKUADH-XGCFFSCVSA-N	497.020	5.834	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccc(N(C)C)cc2)cc1	54201201	POFJXRFLYVAMOH-NMTARAHESA-N	482.609	6.219	10	40	JKCB	
O=C(O)c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2[C@H]2C=CC[C@H]21	58847047	LXNJKSMSWUMNIR-SRGWNRLKSA-N	464.518	5.151	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1c1cccc(Cl)c1Cl	96475828	BFHCGQUXTNBXIX-SDNWHVSQSA-N	459.310	6.244	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391293	UCVGFMDRXARZOE-SVBPBHIXSA-N	496.636	5.668	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223973922	YNEBCAQVQHMGER-KAYWLYCHSA-N	499.615	5.764	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C=C(c4ccc(C(C)(C)C)cc4)OC3=O)c2C)cc1	408755348	KNHVIRPOXFDJJJ-JJIBRWJFSA-N	469.581	6.550	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)c(Cl)c4)c3C)S2)cc1	408790619	QHQVNNAWXSNIKL-XQAWFANUSA-N	496.032	5.696	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1F	408903510	YXQZNWJRNYKYOU-RGVLZGJSSA-N	487.419	6.402	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1C	408961613	TVQMVJPMDXTVIK-IWIPYMOSSA-N	487.625	5.948	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C(=O)NC1=S	408963688	AHJWPJXREPEVSY-CJLVFECKSA-N	457.599	5.050	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C(=O)N(c2ccccc2)C1=S	409019187	PWGYYWJYWYCMTQ-KOEQRZSOSA-N	485.653	5.973	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409066960	IIXCYDNUDWDSIK-ULJHMMPZSA-N	488.559	5.899	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)NC2=S)c1	409245433	SWIRQVCENRZJIP-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCc1cccc(C)c1	409329098	COYAGWDXBYDEPS-PCLIKHOPSA-N	491.634	6.387	10	40	JKCB	
OCCN(C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1	409331250	DOXDEHWQZPDHPQ-UHFFFAOYSA-N	475.573	6.252	10	40	JKCB	
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409344503	JTIXKLBDGATGOW-RQZCQDPDSA-N	463.809	6.298	10	40	JKCB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409348262	SGWYSYGIOJHWGN-CXUHLZMHSA-N	453.814	5.574	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCC5)c2C)cc1	707041	BPHXMZSYXYIRMW-UHFFFAOYSA-N	477.611	5.349	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S	2400133	RURZSBRRPDMRHG-YBEGLDIGSA-N	492.409	5.403	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccc(F)cc4)c(OC)c3)SC2=S)cc1	2833703	HZERNSHHANDPOJ-HMAPJEAMSA-N	495.553	5.468	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCc1ccccc1	9232331	RSAIONPYDHJEGW-OEAKJJBVSA-N	496.053	6.950	10	40	JKCB	
COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCCCOc1c(C)cccc1C	9280236	MLCZRYUWEYNAEB-LDADJPATSA-N	464.008	5.302	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)N1CCCCC1	9805628	QWDRXTMNFOZDIX-JCMHNJIXSA-N	461.612	5.060	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCCOc1ccccc1OC	12285293	NSJWVSLVOYHZLG-ZHZULCJRSA-N	494.034	5.426	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cccc(OCCOc3ccccc3C)c2)SC1=S	12629382	PHBLSDSMRBVZKL-ULJHMMPZSA-N	477.607	5.867	10	40	JKCB	
Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1C	13025265	HERPUPQMUWJROX-SANMLTNESA-N	459.590	5.409	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	13133675	PJRZMLDKCRJEPV-QGZVFWFLSA-N	493.535	5.417	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1C	13811280	FCFSBDRRMOUJNF-MNAJPBKWSA-N	452.583	6.015	10	40	JKCB	
O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1Cc1ccccc1	13940141	JUAWOCRVHMRQPJ-HMAPJEAMSA-N	496.451	6.430	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)N=C2S1	13941735	KJVUMSHNMYTLRV-RSPUHVBCSA-N	462.575	5.474	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16033715	QXHJQBLRKOYXPX-GVAUOCQISA-N	496.994	5.784	10	40	JKCB	
CC(=O)N(c1nc2ccccc2s1)N1C(=O)/C(=C/Nc2ccccc2C(F)(F)F)SC1=S	32597617	PGRKQXGPYNOBMC-YBEGLDIGSA-N	494.545	5.397	10	40	JKCB	
CCc1ccc(N(C(=O)[n+]2sc(C)nc2C)[C@H](C(=O)NC(C)(C)CC)c2ccccc2)cc1	35315051	KGEZYBVTVZVTFG-QHCPKHFHSA-O	465.643	5.131	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(Nc3cc(C(=O)O)cc(C(=O)O)c3)=NC2=O)cc1	39869915	ABTASRRBMSFKAM-XKZIYDEJSA-N	488.521	5.053	10	40	JKCB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@H]12	59418666	MBEVHRDJRZGVBW-ZKCYXHIZSA-N	497.554	6.242	10	40	JKCB	
COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1	103922800	QMUDCQKAQYQGRL-KQWNVCNZSA-N	498.564	5.229	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)SC1=S)c1ccccc1	206887206	GPMSOYIDEYRYNW-BKUYFWCQSA-N	498.988	5.604	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)CC2)cc1	222628739	GZKZKEWVPDQXHV-UHFFFAOYSA-N	457.961	5.526	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222815580	FPVSHXZVMZWPSO-FGZHOGPDSA-N	458.553	5.889	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223423032	BUNYNBQKFVXHPE-IZLXSDGUSA-N	498.652	5.679	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)c1	223558288	XGGJGDJHOOBALW-UEIZDATPSA-N	475.589	5.252	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223761838	RMGWZTYBIKRMNR-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cc(Cl)ccc1O	224426994	ZJQFZDMGVGBOBN-JWQCQUIFSA-N	493.007	6.164	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224467684	DKRZACLZDJJUBM-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c(OC)c1	224812979	HCDOMIAFDCEEPT-KAYWLYCHSA-N	499.640	5.387	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1	260801725	LPAPKJMBEKBLPE-LEWJYISDSA-N	463.021	6.646	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)c1	408816348	YIRIXDPEGSKHCG-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1	408902190	LPLDAGYOCHUOPK-RCCKNPSSSA-N	476.579	5.119	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(OCC(C)C)c(Br)c1	409042994	OZVLRRJXGIRJQC-RQZCQDPDSA-N	492.211	6.053	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1	409102120	CQBGSMFPMYTABJ-FOWTUZBSSA-N	454.313	5.067	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)cc2)cc1	409221054	KDBCOMFDHZZJDZ-QGOAFFKASA-N	499.444	6.284	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	409235646	CQCSGRJYPRCCJS-RVDMUPIBSA-N	475.378	5.569	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409342764	FHSBTNHGSLMKDG-MTJSOVHGSA-N	493.566	5.813	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1	2215392	INGNBHCDDFFWJV-XSFVSMFZSA-N	479.652	5.272	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1	2813996	KOAGWAFGZQMLHD-LICLKQGHSA-N	488.308	5.833	10	40	JKCB	
O=S(=O)(Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1ccc(Cl)cc1	8438970	DSWANZLWCPACQV-UHFFFAOYSA-N	499.038	6.761	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1	9307488	UZCBOFZEMOLVPC-ZNZIZOMTSA-N	483.951	5.371	10	40	JKCB	
COc1cc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)ccc1O	9328635	DKFADJYGARCBKX-SXOMAYOGSA-N	495.623	5.814	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1	13810015	PLRDXOMSGBIVFU-NVMNQCDNSA-N	499.872	6.575	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4ccc(C)cc4)c3)C(=O)N=C2S1	13941833	UJMMOXRJZZVTTB-BRDBGPSPSA-N	462.575	5.262	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	16158177	BQCJRWZFAVPKQL-FYJGNVAPSA-N	492.062	6.069	10	40	JKCB	
CCCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1	19793906	KTRNCFZMGPXHKO-UHFFFAOYSA-N	475.507	6.494	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	33428923	MIXXTHUAQDCPIQ-JAIBUCDISA-N	473.524	5.778	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1	58848521	GALUMNZLBJQKRY-LZCXECNNSA-N	476.554	5.051	10	40	JKCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NCCC(c1ccccc1)c1ccccc1	100423548	MHGSFWDNHMWABP-SGWCAAJKSA-N	467.569	5.038	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223561306	JKIVTCNNQPXNEP-MMTNMYCKSA-N	475.658	5.581	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224204425	KEERMRIXGJVXDZ-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224209288	ASUGBDCGEBFZLE-IZZNHLLZSA-N	453.615	5.678	10	40	JKCB	
CCc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1	408575858	NYKZHUREMGJTTQ-JLPGSUDCSA-N	488.634	5.981	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	408993497	DNHPPEHPVKDGGG-NDENLUEZSA-N	467.597	5.642	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409063331	KQISQVZSJYYAIH-UYRXBGFRSA-N	458.880	6.021	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409210549	JLHQTWPNVZJBSE-CIAFOILYSA-N	466.946	5.775	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2)cc1	409236583	SZMZKHATQCKDHB-HZHRSRAPSA-N	458.608	5.594	10	40	JKCB	
CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409327792	NCOIHVLCYLTOJC-FYJGNVAPSA-N	474.434	7.341	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)cc1C	409340472	XTBVQOGHICIHQB-LPYMAVHISA-N	462.596	5.815	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409349093	UWYLPUAJOOZVDV-YBFXNURJSA-N	490.831	6.670	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-]	8818999	UHTFXCLZVIHQGO-RQRMZWKBSA-N	480.523	5.190	10	40	JKCB	
Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4)SC3=S)s2)c1	9086888	LFIORWVZVJFUHF-XSFVSMFZSA-N	479.652	5.272	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	9280876	QTRQPHXBGMUZFL-MFHBMNDGSA-N	481.625	6.193	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5C)c4C)C(=O)N=C3S2)c1	9293402	XULPWGOJBXEDOV-VIZRJVHBSA-N	483.597	5.409	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1	9339686	WBGJSFNQIYFLQJ-JWGURIENSA-N	491.638	5.694	10	40	JKCB	
CCOc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)c1O	15946258	BNXSZPWAZQUQML-YUNKPMOVSA-N	493.467	6.585	10	40	JKCB	
C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc23)C[C@H](C)O1	19791749	SOQQJUCOCSPQGJ-STQMWFEESA-N	467.871	5.447	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(Br)cc1/C=C1\SC(=S)N(C)C1=O	26642385	XRRFGTSCFNXAIC-PDGQHHTCSA-N	464.406	5.046	10	40	JKCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(C)cc1	33720886	HVTQIRJIOOIEPM-UQQQWYQISA-N	468.553	5.163	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2	35898105	ZQEXFWGGECWIDK-VNGVDIOXSA-N	487.662	5.708	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	41083049	TYKIHKWVORWDEY-ARLVZQCQSA-N	488.444	6.600	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	70453925	JMVXYGVMEPRWDV-UHFFFAOYSA-N	491.525	5.369	10	40	JKCB	
CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)C1	100651415	WIMLOHBGWSTMRH-WRHNGFHOSA-N	461.558	5.337	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(Cl)cc1	223536642	RMUYDSMDJKVRRU-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224269679	MIHFQZFKSUVWRO-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)nc1	224875564	RTERPSJKPRWJQY-DQEYMECFSA-N	490.032	5.729	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccn1	225037465	VEOLNBHNTWQSAI-RRPNLBNLSA-N	482.657	5.359	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	260572626	XMKQOABDLRQABH-SUVVMJBMSA-N	495.620	6.001	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C(=O)O2)cc1	408742184	NQYWWEQDZVUZNP-LDADJPATSA-N	467.399	6.696	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	408761814	LTQNCCFFWQGDCS-UDWIEESQSA-N	498.435	5.795	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1C	408800575	PUJRHHYODOGFJX-UHFFFAOYSA-N	451.015	6.436	10	40	JKCB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)sc(C)c1C	408902496	OOIPFSPBMUNBDJ-HYARGMPZSA-N	461.587	5.755	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Br)c1	408903059	UFUXVAVWKHSAFO-HYARGMPZSA-N	496.451	6.742	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408974514	ASHLEARSLMFIRY-ZMOGYAJESA-N	460.364	6.803	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c3ccccc32)c1	408994486	GFBATQRGQHLJJC-BUVRLJJBSA-N	465.578	5.138	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21	409141752	IWQNLKRIPBDQAL-QQXSKIMKSA-N	499.661	6.215	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409203619	ZJJVQXXOWCMAEM-BUVRLJJBSA-N	480.033	6.835	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)c([N+](=O)[O-])c1	409215109	WQBIRZWHDATWSU-UCQKPKSFSA-N	472.547	6.722	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)cc1	409326830	FCCULEIETBWIDY-UFFVCSGVSA-N	468.987	5.882	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1c1cccc(F)c1	409343275	DHVYXEHKJDZXEI-AUEPDCJTSA-N	496.991	7.027	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCC(=O)OC	409347580	QGWMPIKWMRSUEH-WOJGMQOQSA-N	477.991	5.005	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl	409403678	ANYADFVOFGTNOR-UNOMPAQXSA-N	483.351	5.433	10	40	JKCB	
CCCCCCc1c(C)c2ccc(O)c(CN(CCOC)C[C@@H]3CCCN4CCCC[C@H]34)c2oc1=O	524729210	JHVYRZIMYCLVME-WNCULLNHSA-N	498.708	5.643	10	40	JKCB	biogenic
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)SC1=S	1462144	MLGXJKLOGLOIBR-UYRXBGFRSA-N	450.545	5.059	10	40	JKCB	
C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5c(c4)C(=O)c4ccccc4C5=O)cc3c2C1	6142778	PLVVBWVVOPTIPI-OAHLLOKOSA-N	471.534	5.134	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Cl)c1	8819994	MHTBUELSILLACV-NDENLUEZSA-N	489.018	5.469	10	40	JKCB	
CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1	8821783	CWIARWOZWOTNLF-IWIPYMOSSA-N	479.001	6.572	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)/C(=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)SC1=S	8870024	OEASIAXLYJZHMQ-NIQMNWOISA-N	470.666	5.441	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1	8959114	ZZSATPJYVSNROI-ZJRBDENDSA-N	476.602	5.427	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2OC)c1	9849730	BNCSNBSKYYTYOA-UCQKPKSFSA-N	497.594	5.156	10	40	JKCB	
O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1Sc1ccccc1)C(=O)c1ccccc1C2=O	12376847	UCGNDAWCCOOGAT-UHFFFAOYSA-N	487.939	6.658	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)o1	15011875	VWNURFBNUYHNTD-YBFXNURJSA-N	467.484	5.477	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2	16426101	FGEICFJXYMMLJN-LZJCXSABSA-N	491.569	5.539	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Oc3ccccc3)cc2)cc1	20289165	WNDXPLOIMVEAPA-HFTWOUSFSA-N	475.548	6.625	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)cc1	41108387	RSECTZSWSHIQLA-MNAJPBKWSA-N	499.596	5.109	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Oc2ccccc2)cc1	100525022	LGQBPVBXMIIYBK-RVGLIBJPSA-N	467.554	6.786	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1	101408066	AWGSQHPFBFJFMK-CDRKEARJSA-N	487.599	6.546	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106683922	CLTRBWUYIGFDFW-NHDPSOOVSA-N	490.934	7.003	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1	207364067	IQQJOLFDMPBRTC-ATVHPVEESA-N	466.320	6.172	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc2[C@H](C)CC1(C)C	208310262	ZQKZNWBHHRVPDR-PJMHOZITSA-N	484.463	6.644	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc21	223514721	MHTJTFKBTRVFGC-ZVHZXABRSA-N	471.601	5.689	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223585573	OWNLUCLBAYQCQB-QCYAWUEASA-N	491.657	6.091	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1	223600948	RFKDYRBTAWCOJT-WQZUMXOESA-N	475.658	5.635	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224238483	XHBHZPIWQQBMMK-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1	224804673	KKLVTEKSCUTIOT-NSOVKSMOSA-N	498.652	5.992	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260910197	CHLXRZPYEXQHPC-LJGDZFJRSA-N	460.647	5.257	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	408773380	IJVGKSVAPHCEKB-ITYLOYPMSA-N	496.563	5.280	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl	408787070	QOBXDHQJSHLVEC-CPNJWEJPSA-N	467.308	5.239	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C1=O	408800640	QIIZAHPAIYVJJR-RGVLZGJSSA-N	499.325	5.686	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1ccccc1F	408877929	YHJFTZUFFUVNLH-HYARGMPZSA-N	472.516	5.098	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC	408901887	ILAXBYNAXNUIBW-SFQUDFHCSA-N	464.406	5.652	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	408938658	QVOHWQAISDXBRY-WOJGMQOQSA-N	485.298	5.378	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2C)c1	408968493	ZPWBQHQDLHZPLA-UCQKPKSFSA-N	478.545	5.646	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc2c(c1)OCO2	409338231	GFPUVKBNRVGSID-GIJQJNRQSA-N	476.362	6.388	10	40	JKCB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br	409346930	OVESTLHUVQMNCK-ZDLGFXPLSA-N	492.416	5.024	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)c1	409350242	RFTSTXIFTQTQTQ-LPYMAVHISA-N	484.067	7.047	10	40	JKCB	
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C(=O)C(=O)c2ccccc2)cc1	2886661	PLMBWMXQBFMMFG-UHFFFAOYSA-N	491.366	5.891	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4ccc(Br)cc4)n[nH]3)c2C)cc1	3409203	YKOXUVXYECKJRP-UHFFFAOYSA-N	497.418	5.625	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1	4804174	MKDRTMKLHORKSV-PAMTUDGESA-N	460.515	7.240	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccs3)=NN12	8738171	ZCQIWZKBZSZRDX-HUMIGVHUSA-N	470.988	5.813	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1	8765606	SPQXYYQBTVOZNL-QNGOZBTKSA-N	468.644	5.114	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	8920877	CQFPCSCNSZUBJN-AVRWGWEMSA-N	495.088	7.668	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1ccc(F)c(Cl)c1	9232337	LHZVBZSSLOHSMV-GIJQJNRQSA-N	484.788	7.452	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)N(C)C1=S	9805526	DDVZKRZPAXTAAI-JLPGSUDCSA-N	461.587	5.315	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)cc1[N+](=O)[O-]	16695221	NBAZWXKUDBOEKY-DBRLUCFCSA-N	494.550	5.060	10	40	JKCB	
CCN1CCN([C@H](c2ccc(N(C)C)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1	21486905	PYNLPDWSPAICBQ-AREMUKBSSA-N	451.699	5.780	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)cc2[N+](=O)[O-])cc1	32124650	YXDHIYCRAKYMLN-KGENOOAVSA-N	470.641	6.588	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(C(C)C)cc5)c4C)C(=O)N=C3S2)c1	35079696	ZBZFRLFIOZLZIV-WKDARJRMSA-N	481.625	6.193	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c1	58846655	NWZPYNDOJYGDFH-CLCZQPDDSA-N	460.599	5.939	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(F)cc1	59418117	JANMCGXECZXUHG-WSDLNYQXSA-N	485.989	6.473	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21	208239552	UTDBAMFPTJIKTM-BVTUPMQUSA-N	471.985	5.032	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222968705	SWPGGRWPMVKERZ-XZOQPEGZSA-N	473.473	6.569	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc21	223490078	STSITDALAKUFFQ-OEAKJJBVSA-N	473.642	5.545	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224221078	GQDJPBZZURTWDN-KAYWLYCHSA-N	496.636	5.761	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224336829	CUCFLKQILMNQSI-SVBPBHIXSA-N	468.626	5.934	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019565	OQBOHKMKPZYFIK-JWQCQUIFSA-N	491.617	5.321	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)SC2=S)cc1	408572466	HGSVABRCOCTVJI-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl	409022873	HDWBSEYWKAQSIB-DHDCSXOGSA-N	457.140	6.177	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409085303	WZHMNXQNCJIORJ-IWEBCOIVSA-N	480.438	5.953	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\Sc4ccccc4NC3=O)c2C)cc1I	409104374	YLQNANOUYPJJEV-NHDPSOOVSA-N	486.378	6.092	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O	409221487	QYZNQHJANXEVAU-QINSGFPZSA-N	471.296	5.319	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1	409234478	KUPLOURJQMVAGA-BUVRLJJBSA-N	473.598	5.057	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(O)=NC1=S	637456	ZLCOIEQNSRYXEH-UDWIEESQSA-N	473.554	5.057	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)ccc1OCc1ccc(Cl)cc1	1795127	WASJRWLXGQSYGM-MNAFEPAFSA-N	462.036	6.317	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(O)=NC2=S)cc1	2394138	VAHOSWWFWNJHKE-HYARGMPZSA-N	463.534	5.304	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1OC	8431359	VYOFUERZHIPVNP-XNTDXEJSSA-N	494.183	5.425	10	40	JKCB	
CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)nc1C	8815828	OVXYKJMUESRNFE-FYJGNVAPSA-N	479.533	5.152	10	40	JKCB	
Cc1ccc(C)c(OCCCn2cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c3ccccc32)c1	8916573	QXCMCHVTYPHZIY-QGNOBFDASA-N	456.571	5.504	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9161218	AZFCZAAFIMPDEM-RGXDOQKYSA-N	489.988	5.446	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9290828	QUFPBSOSTXNWGK-HGEMSSTASA-N	489.988	5.446	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9291517	DTYTWKVWAQPCSC-UNTPUJHMSA-N	477.952	5.554	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	9293378	VJLUDGRGBJCOFD-RDJYZGLESA-N	451.571	5.823	10	40	JKCB	
COCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(N2CCCC2)cc1	13509983	IQDZTWWLMGXVNL-UHFFFAOYSA-N	471.026	5.181	10	40	JKCB	
Cc1cccc(OCCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1C	13895739	MPGWVBNJFSZPAT-BWAHOGKJSA-N	475.635	6.557	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(Br)cc1	18255904	YKJMQPTYJSHAOV-UDKICSLYSA-N	490.397	5.642	10	40	JKCB	
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc2c(c1O)CN([C@@H](CCC(=O)O)C(=O)O)C2=O	36378940	LTEYADKCUWEHSA-TUJGGSLHSA-N	499.604	5.333	10	40	JKCB	biogenic,in-vitro
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58849762	SAQIRFLDPIUCJP-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)cc(C)c1Br	59109552	ORYKRDVDIPZILC-FYJGNVAPSA-N	498.421	6.108	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC1=S	59418115	QDIBIEQDRFVJCN-LICLKQGHSA-N	452.370	5.388	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4cccc(C)c4)c(Cl)c3)C(=N)N12	103563441	UOZADDIMYWAYOW-RQUXIJKASA-N	453.951	5.273	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)c2C)cc1	108161625	BNRLQHFWSWKFLR-LPYMAVHISA-N	480.542	5.109	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Br)c1O	113853957	PLBQOTRAOBRJSS-NTEUORMPSA-N	480.156	5.122	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21	208470124	NSLONAMVRJWXHP-FBHDLOMBSA-N	473.425	6.862	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224168972	NDBLIUJVVUVBNH-WDYNHAJCSA-N	495.696	6.512	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224204938	HHDOOVMCFGGYFJ-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224305253	UIZBWXGFJGNDNA-VMPREFPWSA-N	480.681	6.900	10	40	JKCB	
COC(=O)c1ccc(Cl)c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1	408771428	GINBOBHJWTWAGK-DEDYPNTBSA-N	474.900	5.815	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408806294	IPYQQCSJGAWYCI-BUVRLJJBSA-N	498.579	5.564	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1C	408807440	CWTYIUHYMDGNCL-LPYMAVHISA-N	460.917	5.202	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(OCc2ccc(Cl)cc2)c1	408811477	LKNJAUIUVNDRIM-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(F)c1	408887059	LQLQBMLIOQIHMM-UDWIEESQSA-N	485.298	5.378	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1OCC	409023784	PQSCUAPHCXERPC-JMIUGGIZSA-N	490.383	6.058	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccc(Br)cc23)SC1=S	409132172	LOYLTIBRCLHZKD-OCKHKDLRSA-N	475.408	5.812	10	40	JKCB	
COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4ccc(C)cc4)cc3)SC2=S)cc1	409147322	WJVHDZWCIYBCAT-DEOSSOPVSA-N	463.624	5.554	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	409328292	RMICNWSSPHPLSL-PXNMLYILSA-N	489.243	6.560	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC	409329799	GOWAGETVIIGLAK-YVLHZVERSA-N	464.952	5.451	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OC(C)=O	409347021	PLDFYHGRMQPUNV-CAOOACKPSA-N	454.356	5.333	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(I)c2)SC1=S	409375239	HPEJBVWYDQUZNF-WQRHYEAKSA-N	495.407	5.400	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(-c4ccccc4)cc3)C2=O)cc1	8817343	HAUCDBXEMUPDHL-PLRJNAJWSA-N	486.662	6.536	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1	8821815	HHZDNROEZMJZRL-RGVLZGJSSA-N	472.353	6.294	10	40	JKCB	
O=S(=O)(Nc1cc(SCc2ccccc2)c(O)c2ccccc12)c1ccc(Cl)cc1	8859976	JOBOUHZRPDYTED-UHFFFAOYSA-N	455.988	6.292	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1	8918485	FDBPAFBKDCUWBH-QKDODKLFSA-N	463.533	5.026	10	40	JKCB	biogenic
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc([C@@H](C)CC)cc4)cc3)C(=O)N=C2S1	8922138	XFFUQGCIMNYDFR-MGJMOVSDSA-N	476.602	5.687	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12	8993738	JVFAURPKSBQBLJ-JPXJQDSKSA-N	481.364	6.115	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	9309595	FWQZTBYBJATJNO-ZHXICNOMSA-N	497.624	5.718	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccccc3Cl)C2=O)cc1	9428128	MAKIVDPWOJGXTG-JVDNRXPZSA-N	461.949	5.370	10	40	JKCB	
COc1cc(/N=N/c2ccc(C(=O)N(C)C)cc2)c(C)cc1/N=N/c1c(O)nc2ccccc2c1O	18166021	QENCHULXFOFBLI-DUJDKOHPSA-N	484.516	6.496	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCCOCCOc2ccccc2)SC(=S)N1c1ccccc1	27828870	OYQFKOJXZQCBSH-CLCOLTQESA-N	477.607	5.567	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)c2C)cc1	106735059	IATIAGXETJAEKH-JJFYIABZSA-N	470.953	6.132	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C(=O)NC1=S	208308033	KDRTVHIJQAHXGU-LBSLPOPVSA-N	461.631	5.192	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542857	VDFWZSCYAQYTPV-IZZNHLLZSA-N	497.624	5.063	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224237705	MPTWIVACPZDASI-IZLXSDGUSA-N	481.669	6.041	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)c1	408813835	VGJNXQFGEHKFRN-HZHRSRAPSA-N	454.526	5.166	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(Cc2cc(C)cc(C)c2)c1	408876617	PKIMRZIJEMYMRZ-PCLIKHOPSA-N	468.553	5.186	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408968405	WIQZOQYQSPDHIT-XYGWBWBKSA-N	458.627	6.937	10	40	JKCB	
O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1I	408983798	CQWGACLORFGRQP-NBVRZTHBSA-N	483.736	6.416	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	409020416	PAKZFRZAFDPKCI-VSXLWIIGSA-N	483.804	5.655	10	40	JKCB	
O=C1/C(=C\c2ccc(I)o2)SC(=S)N1c1ccc(Cl)cc1Cl	409344387	JHDPAAQGQFTUKR-IZZDOVSWSA-N	482.151	5.597	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)SC(=S)N1Cc1ccccc1	409352211	WZWPGKHOYJZNHT-WYMPLXKRSA-N	493.028	6.884	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	9282733	CTEROZYBCCUABJ-VHYOFNQNSA-N	487.551	6.168	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)c1	9805185	KOHIICOZPPIQPX-QHWMMSMNSA-N	460.599	5.939	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1	13809989	MITWCYFIHNSDAD-BOPFTXTBSA-N	455.297	6.377	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3c(C(F)(F)F)nc4ccccc43)c2C)cc1	14358312	DNRYZZLREQIJOW-UHFFFAOYSA-N	469.463	5.197	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007560	DVWSSKABWQUDNR-SDHOMARFSA-N	480.539	5.269	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OCc1ccccc1	16699722	DBRGMJOWMPUXHT-MRSJDWDVSA-N	461.608	6.237	10	40	JKCB	
Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)c1	19791774	NWENXSYYCLMVPJ-UHFFFAOYSA-N	469.459	6.250	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3c[nH]c4ccccc34)C2=O)cc1	20288003	ZWUGXYDZNZWERH-XHPQRKPJSA-N	450.542	5.034	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)Nc1ccccc1	33766039	RDMGIAJAUUHXBJ-HZHRSRAPSA-N	473.554	5.104	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139059	BMQXKLKRLUBLAS-JJIBRWJFSA-N	492.487	5.537	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(=O)O)N2	80324541	QGJSJHSBEKSIAQ-FUMQJTLXSA-N	476.554	5.021	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1	223345651	WEBUKTVIUXSAGB-DNQXCXABSA-N	463.006	5.908	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)cc21	223372748	JPXCINXCNWAWPU-CLJLJLNGSA-N	489.088	6.539	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223420617	DQJSHIHHCNEGMH-SVBPBHIXSA-N	486.616	5.810	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223428854	WBVMEDAWLUAOEH-FTJBHMTQSA-N	483.641	5.374	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1	223537181	MPUGGTUZEAMPBK-HINJULBWSA-N	477.630	5.029	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223757245	IDQDEBUUGKGSKR-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224305442	ZLJGDJGATPKZJJ-LMSSTIIKSA-N	480.681	6.900	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224369463	FDWMJYBGZFHNCW-URLMMPGGSA-N	496.680	6.798	10	40	JKCB	
COC(=O)c1cccc2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21	408736501	WSFQMBNMTSDNEB-SLSDLSHTSA-N	456.498	5.787	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1	408756334	QEJFBWWAECJCAD-YBFXNURJSA-N	465.278	5.151	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3cccc(C)c3)C2=O)c1	408757486	XYOOYWLNXRZEKU-RCCKNPSSSA-N	458.970	6.706	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)c1C	408799752	IHNHGORONABVKZ-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)c1C	408874731	FXJPNBCXXUVRQL-FYJGNVAPSA-N	462.908	5.353	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2OCc2ccccc2)N1	408885297	YZUDIZJIHZNXAO-ITOWZWGRSA-N	483.567	6.868	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	408891854	CWFNGHXASMCPIV-UQQQWYQISA-N	453.538	5.760	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C	408959725	DSSMLFQXOFJURW-UCQKPKSFSA-N	475.570	6.110	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(=O)OC)cc3C)C2=O)cc1	408986676	SKIABLGUMZUFTH-CJLVFECKSA-N	473.956	6.305	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1OCc1ccc(Br)cc1	409131212	MLBDMQJOLKEOJU-STZFKDTASA-N	493.382	5.428	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	409329485	GLLAJDDPGIPTQC-RQZCQDPDSA-N	484.824	5.916	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc2n1Cc1ccccc1	409330656	LMXUXSMVMWYANX-BUVRLJJBSA-N	458.583	6.543	10	40	JKCB	
COC(=O)c1sccc1NC(=O)c1cnc2cc(-c3sccc3-n3c(C)ccc3C)nn2c1C	1403938	OVXLLNSHWJBFPM-UHFFFAOYSA-N	491.598	5.274	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Br)cc1	1841843	MWNZAIHDGQGOPI-DURWOYGOSA-N	487.444	5.625	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@H]32)cc1	4149931	KGZGQCMXVIVEIS-VVZHRXSXSA-N	474.582	5.409	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)c1	8606733	RUXAXBFFITZOHJ-OHUGHZGNSA-N	466.990	5.976	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1C(F)(F)F	8819671	MSJKTHVMIMTWAE-CYVLTUHYSA-N	478.561	6.106	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(C(F)(F)F)c1	8819672	RARNYHKZIXWUQK-RGEXLXHISA-N	478.561	6.106	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1	8821869	RKUSDGQUQNRCFB-RGVLZGJSSA-N	482.905	5.549	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)cc2)SC1=S	9730537	NTICYYHKXXWVDU-OQKWZONESA-N	455.645	6.053	10	40	JKCB	
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)cs1	15189308	QSGXLLXZSJQLRR-JAIQZWGSSA-N	483.018	6.180	10	40	JKCB	
Cc1cc(C)c(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)c1	19793915	JRDXVXIDXLORFG-UHFFFAOYSA-N	475.507	6.611	10	40	JKCB	
CC(=O)N(c1nc2ccccc2s1)N1C(=O)/C(=C/Nc2ccc(Cl)cc2)SC1=S	32594790	CXEVUSZEMJQXCP-YBEGLDIGSA-N	460.993	5.031	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1Cc1ccccc1	33590383	OIFITTQMIHNNLK-XYGWBWBKSA-N	493.613	6.687	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	35974760	YDVDPBCNHMNVHM-FCAAUZHJSA-N	484.470	6.183	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12	41076265	MFLIVKODBRPVMK-NZAISQPBSA-N	494.601	6.446	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CC(C)C)C2=O)cc1Cl	102681241	YODHEQSROSEJAH-LPYMAVHISA-N	498.073	6.449	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223423091	BUNYNBQKFVXHPE-WUFINQPMSA-N	498.652	5.679	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	223762217	AEXOYOXLUUFDCT-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223767597	DNIZJZRQFIRXGB-FTJBHMTQSA-N	469.614	5.378	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224304120	ULAQSXYNUOGALG-VMPREFPWSA-N	495.696	6.349	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Br)c1	225016235	LUACHVLJCQJQCP-BJKOFHAPSA-N	495.490	6.167	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1)Nc1cccc(Cl)c1	408578121	VSWKIAHIXNAVDJ-MTJSOVHGSA-N	498.988	5.902	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC(=S)N1C1CCCCC1	408725420	FZGARSMBMBMMMA-KVKHVCHQSA-N	458.008	6.995	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2c(C)ccc3ccccc23)C1=O	408811779	RQZOIKWBXYUYER-JJIBRWJFSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O	408816697	UHAXHMXZNFHVHB-VXLYETTFSA-N	499.325	5.686	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1ccccc1F	408869110	RBWSBYHKKUUPIM-FYJGNVAPSA-N	478.907	5.135	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(O[C@H](C)CC)c(Cl)c2)C(=O)N(c2ccccc2)C1=S	409017104	FHAKDZICIRHQBG-NISQSXRWSA-N	456.995	5.471	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)cc1	409037435	NOZZFFJXXRFHRR-XNTDXEJSSA-N	490.384	5.625	10	40	JKCB	
O=C1/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(F)c(Cl)c1	409177154	CDWPNPKVMRYANK-WQRHYEAKSA-N	459.911	5.584	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S)c1cccs1	409327775	MSMVCTUOYIYQDJ-MHWRWJLKSA-N	491.413	5.317	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc2ccccc2c1	409339704	KUKFXMLQQBMGGB-XKZIYDEJSA-N	479.579	5.103	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC(=S)N1c1cccc(F)c1	2121452	NPJMBLSQHHNYFQ-ZDLGFXPLSA-N	450.343	6.798	10	40	JKCB	
O=[N+]([O-])c1cccc2c(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c3ccccc3nc12	5614341	NYYOLBFFJSLJQX-UHFFFAOYSA-N	477.527	5.297	10	40	JKCB	
CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O	5947713	IUEJHBHRHVFKED-HZHRSRAPSA-N	459.502	5.217	10	40	JKCB	
O=C1N=C(O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl	9009768	SEQPXKJRCIZTDT-FYJGNVAPSA-N	492.362	5.427	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087784	QLFPNAWQGVLPOU-TWJOJJKGSA-N	467.952	5.671	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	9282664	PFIZPAXYLSVDMI-XVIKKCDJSA-N	466.010	5.947	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	9308410	SCLQZHJDNYSXDR-QGNOBFDASA-N	453.571	5.264	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	9309797	ZQIADEQDMOCFHI-LBOPPBIISA-N	487.560	5.240	10	40	JKCB	
N=C1/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N=C2SC(c3ccccc3)=NN12	9678870	YUORSANOFJNXCN-JOFJPVPMSA-N	472.957	5.586	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)c(C)n1-c1ccc2c(c1)OCO2	13145455	OFIQINJSWVJTFJ-UHFFFAOYSA-N	496.563	5.680	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	13774090	PULOPOQTFZBVII-KGENOOAVSA-N	498.582	5.357	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1Cl	13810920	UOKBQGYGJNFNML-BGFGNXAESA-N	473.001	6.360	10	40	JKCB	
Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	13898628	NWZSSUSLAXNHME-ZHZULCJRSA-N	483.351	5.221	10	40	JKCB	
CCc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc1	20288987	SWRJLKRRVYWXPM-ULJHMMPZSA-N	468.582	6.004	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1CCc1ccccc1	33332415	YSKNQISURFEAKJ-QJOMJCCJSA-N	485.971	5.448	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(Cl)ccc3OC)C(=O)N=C2S1	41083015	PYGZAUCLEWIXHK-DVCMMGIKSA-N	455.971	5.339	10	40	JKCB	
Cc1cc(/N=N\c2ccc(-c3ccc(/N=N\c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N	104367238	BETDIULUXNWVLT-SZDCHMHBSA-N	465.513	7.787	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21	208222281	QEDADEMCLWXJMD-OFNOZLENSA-N	485.447	6.408	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223388889	JKAPDOUNMFNNJP-IZLXSDGUSA-N	466.654	6.279	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224341847	QMWAMTGSOSHPEF-CLJLJLNGSA-N	467.642	5.932	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)cc21	260919565	MGWBRYRUNROOQL-LOSJGSFVSA-N	458.606	6.030	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)cc1	408753029	KUHDEJZQWNPIGE-XSFVSMFZSA-N	462.933	6.537	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	408803855	UBNNAMAWCOYAOP-LFVJCYFKSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Cl)c(Cl)c2)C1=O	408873523	VHUZNOVLFGFYKA-VXLYETTFSA-N	499.781	6.212	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1	408897973	KADAFHCUVKXBDK-ITYLOYPMSA-N	484.552	5.419	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1	408986232	OXAIAXHOCTWMMP-XMHGGMMESA-N	476.916	6.127	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(O)c4)C3=O)o2)cc1	408986275	PJSGMHBLQUOHMO-CJLVFECKSA-N	463.489	5.910	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S	409016704	VLTDSUUQBWQPSU-XSFVSMFZSA-N	450.947	5.065	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(C(=O)OC)=C2C)cc1	409060904	ZFPXLQKMHVTFOU-KQWNVCNZSA-N	474.532	5.509	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409079091	JTBMQPLIAUEZDD-DZGUVLCISA-N	498.428	6.092	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1cccc(F)c1	409081349	POJXNELUNPWOBJ-CVHFWEDTSA-N	473.591	5.184	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C2=O)c1	409099535	TZYGQIQHARIECN-UDWIEESQSA-N	497.382	5.241	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1Cl	409344746	GVDYTBHKQJJTTG-LPYMAVHISA-N	491.977	6.857	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)cc1	409348598	PCOLRGYXQDXZNN-MFKUBSTISA-N	488.609	6.552	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCOc3ccccc3)c2)SC(=S)N1c1cccc2ccccc12	409348927	TWSFTSQGTOSZCD-XHPQRKPJSA-N	483.614	6.703	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)SC(=C2C(=S)C(C)(C)Nc3cc(OC)ccc32)S1	2049252122	YUEWQAOQEPRIKD-UHFFFAOYSA-N	469.653	6.350	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	6475527	SUGFACQHZYBSJZ-NLJOTIRTSA-N	462.505	6.794	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	8820550	YFOZFZDGFJAZFZ-TYALYIRFSA-N	478.683	6.052	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)c1	8872190	MBAAYQBNUAHCOB-HAVVHWLPSA-N	496.404	7.797	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	8917735	DCXHUDGOYLHMAO-MPYJOUPCSA-N	466.622	5.059	10	40	JKCB	biogenic
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9192282	FJVSFUJSSTXMGT-MLIHYKQFSA-N	459.497	5.399	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	9291672	QCTMRVPBYZDCRE-ASFQMBHESA-N	476.602	5.508	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1	9311155	UGGDMPAAQZLVOE-XYGWBWBKSA-N	469.585	5.675	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)ccc1Cl	9311261	UGTQVWRLKIAWBB-QGOAFFKASA-N	460.873	5.506	10	40	JKCB	
COc1cc2c(cc1NCC(=O)Nc1ccccc1I)oc1ccccc12	11619360	BXKCNCYPPIHBDM-UHFFFAOYSA-N	472.282	5.250	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccc(C)cn3c2=O)SC1=S	13713107	MLEMVVULEXFEIG-HRVJUDJTSA-N	486.707	5.488	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)o1	16249937	OMXNLZMTGCPABS-WQRHYEAKSA-N	495.285	5.222	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1	16399232	DUSIDOHCEOCBKM-WQRHYEAKSA-N	476.457	6.279	10	40	JKCB	
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC(=S)N1C1CCCCC1	16805280	JTJJVMUSRHUMCC-ZHZULCJRSA-N	451.642	6.135	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)CC1	19793000	YWXOTRGQVIJBOY-UHFFFAOYSA-N	467.871	6.195	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12	26531651	IRMWWONYJGHRQL-GILLUHJASA-N	496.702	5.019	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1Cc1ccccc1	33923673	QPBHXAMALMRZQD-ZKNSXIRRSA-N	453.571	5.015	10	40	JKCB	
CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccc(Br)cc4)N=C3C)sc2c1	100552410	DWZDRMLMFPHLJS-WJDWOHSUSA-N	457.353	5.176	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3cc(Cl)ccc3C)=NC1=O)[C@@H](C)CC(C)(C)N2C	208235306	KARFBQUEBBFJSD-VBHHZLGVSA-N	454.039	6.761	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223367480	LKFRZRFRIUWVCE-DQEYMECFSA-N	486.597	5.041	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223821440	SSBDDFCWRCCKPV-YTMVLYRLSA-N	496.680	6.682	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	224205382	HWZNFBDLZPZXKL-VSGBNLITSA-N	481.669	6.041	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225042644	GXSUOGFOJXJVDA-URLMMPGGSA-N	495.696	6.272	10	40	JKCB	
CCCCCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O	408540052	MHSBCOAACJEZSF-CPNJWEJPSA-N	475.372	5.927	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2sc3ccccc3c2Cl)cc1	408765710	ZOOQBUQJQTVPBQ-CJLVFECKSA-N	488.996	6.797	10	40	JKCB	
O=C1C(=Cc2ccccc2Cc2ccccc2F)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408876573	MKUFGUKDRMCUJM-UHFFFAOYSA-N	492.575	6.165	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408967682	RQYCMYVJENSKQB-IWIPYMOSSA-N	479.045	7.282	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)NC1=S	409081678	KRSNBBSOXZCWKP-YVLHZVERSA-N	495.826	5.158	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409332863	RVGVFHOEYAMZGX-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)ccc1OC(C)C	409342940	DAIAIYQWEJMMRM-NVMNQCDNSA-N	498.851	6.304	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1	2290177	BEGDJOYGJWEYLZ-XMHGGMMESA-N	478.561	5.888	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1	6599798	AFPBHUUQXIZQSO-LTGZKZEYSA-N	474.354	6.097	10	40	JKCB	
Cc1ccc2c(c1)N1[C@@H](C=C2)C2(C(=O)c3ccccc3C2=O)[C@@H](c2ccco2)[C@@H]1C(=O)c1ccccc1	8918091	UFSZZGRXTSJSBX-HZFUHODCSA-N	485.539	5.904	10	40	JKCB	biogenic
CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)c(OC)c2)SC1=S	9057166	QWXLVDOSTAMXJP-UYRXBGFRSA-N	466.049	5.741	10	40	JKCB	
Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N23)cc1	9308308	QNPILTYMXWVDIB-DYIKCSJPSA-N	495.578	6.311	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1C	9805181	MUSXEASYNQRDCE-PPJWLVRDSA-N	465.018	6.584	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccccc1	12285077	RURBNILAGNDEPV-PLRJNAJWSA-N	456.542	5.739	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2	14165933	RZLFHANSYZQZRC-CZSZKKDXSA-N	460.555	5.321	10	40	JKCB	
CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	15231432	KUKPJOUNDWZZNF-OREGWCPLSA-N	476.617	6.751	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)o2)c(Br)c1	16284664	DTRCOEVWWKIDIX-XDHOZWIPSA-N	456.386	6.423	10	40	JKCB	
CCCCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1	17270679	BLYNMJZKYBSFRZ-GDLZYMKVSA-N	471.645	5.461	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[N+](=O)[O-])cc1	32124675	MACGSSWXOIYURB-UCQKPKSFSA-N	492.647	7.077	10	40	JKCB	
COc1cc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCCC2)ccc1O	85879926	FQGVRCVFUHYMRZ-UHFFFAOYSA-N	489.528	5.702	10	40	JKCB	biogenic
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc21	208461253	HKRNPKXENLXBKO-UUYOSTAYSA-N	496.032	5.955	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223386447	IMHXHPDTLZQKEC-RRPNLBNLSA-N	468.626	5.670	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(Cl)ccc1O	225010494	SGTCFJBNZUSVSH-DNQXCXABSA-N	467.038	5.763	10	40	JKCB	
CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl	225670694	DFKXWFCNACHSDT-SJORKVTESA-N	460.043	5.801	10	40	JKCB	
Clc1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2	408736079	DHGUXBAGPVXPSO-QQNWGBJXSA-N	472.415	8.552	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(O)cc3)C2=O)cc1	408752220	GSUXGQULINQCLX-CPNJWEJPSA-N	474.925	5.793	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3Cc3ccccc3Cl)C2=O)cc1	408877625	WJKJXZOPIJWJKM-XQNSMLJCSA-N	474.944	5.168	10	40	JKCB	
Cc1cc(I)ccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1	408986644	RWJXHBBJUFTDPM-XMHGGMMESA-N	497.763	6.724	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O	409019039	XVQJYOVFSNVOSY-FSTGKYBXSA-N	458.583	5.465	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409040203	HMJRSYZEHBRCGR-MDWZMJQESA-N	463.318	5.356	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1	409090646	MUVKSUKUKDOAEE-LELXDKESSA-N	490.990	5.207	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C(=O)NC2=S)c(C)c1	409142637	AOKGYZSCSXJJOR-XDHOZWIPSA-N	450.947	5.357	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1I	409335709	YWCJILHZYMQEHP-MHWRWJLKSA-N	467.353	5.014	10	40	JKCB	
Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(O)c(O)c2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1	409369027	YBWHMHNFWMTOIE-UHFFFAOYSA-N	468.513	5.086	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccc(F)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	9235465	ZYIITSFJYWTWLV-QKDODKLFSA-N	481.523	5.247	10	40	JKCB	
O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1c1nc2cc(Cl)c(Cl)cc2s1	12376071	YUBWRNCALJXOGS-ZDLGFXPLSA-N	466.349	6.143	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C1=O	14133189	KNJFHUSLKBAWCJ-LFIBNONCSA-N	483.343	5.168	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccncc3)SC2=S)cc1	16736954	SVGAPVHOLYQCKC-ULJHMMPZSA-N	498.633	5.387	10	40	JKCB	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	20294658	LHCIBRURMPJWTE-UHFFFAOYSA-N	477.303	5.985	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	35084750	GWGALVUGOOFHPW-MTJSOVHGSA-N	489.811	7.308	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCC(=O)Nc1ccccc1	35520000	CPXFIIOIKAZUCK-PXLXIMEGSA-N	482.627	5.247	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4C)c(Br)c3)C(=O)N=C2S1	41083656	KQMJPAGIWZXPRL-KUYAPCGNSA-N	498.402	5.382	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1C	41108158	AJAYSXRGGPTVRF-WTPQPOPRSA-N	483.597	5.387	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1	58848573	CJPROLZRIXAMHZ-PPJWLVRDSA-N	464.562	5.852	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(c2ccccc2)=NN1c1ccccc1	59186068	FONUXGJCPRBAKM-PGMHBOJBSA-N	469.884	6.343	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C2=O)c1	96475851	CWGFABJXVLUPFV-IWIPYMOSSA-N	492.535	5.404	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2Cl)cc1	103922303	KSGFIUPHPXYWEE-HAHDFKILSA-N	482.367	6.148	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2	223102284	OXLAYACVKITAJO-UIOOFZCWSA-N	474.630	5.523	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c(C)c1	223541504	XNRJXTAVILNRDF-IAPPQJPRSA-N	481.669	5.982	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	223762791	MAHORCFWBJGGNB-NSOVKSMOSA-N	497.668	5.741	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223800417	XQJSRKJXCSLWNL-VSGBNLITSA-N	498.652	6.074	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224204171	RRMGUIDYWWQYHH-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224204292	KEERMRIXGJVXDZ-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224303221	HQAJCKXWXJHACX-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)cc21	260914653	GVAJPMFYOFXODU-UOKFIYJESA-N	483.081	5.518	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c1	408575515	OOPMOFJZMAHNOR-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl	408585758	IAEGAFWENMINDS-SOFYXZRVSA-N	467.692	5.432	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC(C)C	408599108	DYBXXIQROVVHDU-MTJSOVHGSA-N	471.600	5.048	10	40	JKCB	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1cccc(Br)c1	408760404	YCMMLWKFERJYMS-LDADJPATSA-N	472.136	5.639	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)NC2=S)c(C)c1	408780664	HLLSSBFDGYKQEM-FYJGNVAPSA-N	463.990	5.196	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1C	408941571	XCIUAAKSBULMIM-UCQKPKSFSA-N	460.917	5.202	10	40	JKCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409011517	NQXZHBVGXJDEDP-LEBHPONQSA-N	460.599	6.508	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409017260	LTZCQHDVAKQRID-HAHDFKILSA-N	493.481	6.162	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409020806	UBOXLNKXKQABDH-OYKKKHCWSA-N	474.988	6.242	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc(Br)c1	409146327	KOHVRYLATMMYQM-HZHRSRAPSA-N	495.442	6.526	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc(Br)cc1	409214095	RAICJUDMBVRZEQ-NSIKDUERSA-N	490.187	6.070	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1	409214562	WBVQVEXSJOUYND-KEBDBYFISA-N	487.806	6.751	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C=C2c2ccccc2)c1	2059075	UDJAGTJPKMKCMP-QNGOZBTKSA-N	472.371	8.033	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1	8454114	FDTUABQPSHVWGC-CLCZQPDDSA-N	460.599	5.939	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1	8842842	BEKTVDJDVMXKEB-WQRHYEAKSA-N	455.297	5.537	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(C)cc5C)c4C)C(=O)N=C3S2)c1	9293529	NYJZIZFANNEWBV-ZHXICNOMSA-N	497.624	5.718	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)o2)c1	9310423	AAGVELQQNQNFJF-KGENOOAVSA-N	465.552	5.538	10	40	JKCB	
CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccccc1O	9419118	RJECDERGMNGSGH-JOCHJYFZSA-N	471.944	5.642	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)C(=N)N12	9425503	SLTQKMCNDGTTOQ-WHJFZTRWSA-N	488.794	5.848	10	40	JKCB	
Cc1cc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Cl)ccc1Cl	13943533	XPWNUFNPLUPRKU-SVBOREBNSA-N	474.369	5.536	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCc1ccc(C(=O)O)o1	33393898	IJOOSRKAMHMQQZ-UUYOSTAYSA-N	478.526	5.265	10	40	JKCB	
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1	38185561	IHLCMJXZRQTOEC-APSNUPSMSA-N	460.334	5.244	10	40	JKCB	
Cc1cccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2)c1	41076382	AZXFSIOWUBYVPL-ZSEUTSBQSA-N	488.613	5.652	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58846493	SEBUZIMPJNXOAT-FYQCMVGJSA-N	474.582	5.659	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(O)=NC(=S)N1c1ccccc1F	59136004	PUNFUWFZYASMPU-QGOAFFKASA-N	466.921	5.730	10	40	JKCB	
CCCCN1c2ccccc2Sc2cc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)ccc21	89954729	BWSKVOQCAFVONB-JCMHNJIXSA-N	474.029	7.549	10	40	JKCB	
COc1ccc(/N=N\c2cc(OC)c(/N=N/c3c(O)nc4ccccc4c3O)cc2OC)cc1	104381598	RZIWRBCYBFOBKP-KVZOUHTRSA-N	459.462	6.503	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc2ccccc12	223093650	IWZUNWWQFREMBS-VMPREFPWSA-N	480.681	6.948	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223498488	WZVDCUFKBRMNKA-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223614983	SGPAXPFSMUDNJF-WTZXFZKGSA-N	466.622	6.871	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223764099	HWHNDSKOZCUJBF-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1	223858115	USYWKFUPIPPVQO-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224401277	HTOBRVLDXVSYPZ-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1O	224604327	LAKJZLQKCPKSBG-RPBOFIJWSA-N	456.571	5.077	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCN3CCc4ccccc43)c2)cc1	225560731	FASQKTXKBNJICM-UHFFFAOYSA-N	471.670	5.954	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)CC1	225586805	KIYYQPORMDHHBZ-HXUWFJFHSA-N	472.048	5.805	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S	408761047	GXGXBNGXYWVAFL-SFQUDFHCSA-N	499.411	5.333	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1	408878766	AVPHKCPVVVEZJL-LPYMAVHISA-N	479.363	5.867	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1I	408902183	LNIBISBTZWXDQN-LFIBNONCSA-N	467.353	5.096	10	40	JKCB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)sc(C)c1C	408902696	QBJGUZSPUDKFBV-DEDYPNTBSA-N	496.679	6.355	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409011444	HUDMSJAPZCYLBO-LPYMAVHISA-N	498.435	5.965	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCc3ccccc3)C2=O)cc1C	409046121	IROJOJDVAFEFME-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O)Nc1cccc2ccccc12	409212994	SUVAWYVESAEZMS-OEAKJJBVSA-N	498.516	5.473	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c([N+](=O)[O-])c1	409344368	IUNOYVBDGLAEHV-ODLFYWEKSA-N	456.476	5.408	10	40	JKCB	
CCCCc1cc(=O)oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)ccc12	1614467813	AVOZBAFBLQKTAN-CYTVTSDOSA-N	462.634	5.236	10	40	JKCB	biogenic
CCOC(=O)c1ccccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2O)o1	677847	FQVYRZIXNQSVRU-XSFVSMFZSA-N	460.511	5.103	10	40	JKCB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2)cc1	1157117	WJSTVZQDEVOHNU-MAXPBVDLSA-N	477.563	5.308	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	2053310	OIQOABXPCXDBBT-HYARGMPZSA-N	478.551	5.588	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	2847826	ZGGGGEXNSJMAPC-STZFKDTASA-N	457.020	5.985	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)cc1	3267137	SSBKOHWSUWKUDF-UHFFFAOYSA-N	462.600	5.725	10	40	JKCB	
CCCCCc1ccc(C(=O)Nc2ccc(NCCCC)c3c2C(=O)c2ccccc2C3=O)cc1	9019796	TXLDRUCJWRPZON-UHFFFAOYSA-N	468.597	6.659	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	9076151	PUWHSWLGZDUAMZ-RLSLOFABSA-N	470.481	5.427	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)c2cccc(F)c2)[C@H]3c2ccc(N(C)C)cc2)cc1	12599718	WZSLSMLGMYMSRQ-WKFFAADPSA-N	496.630	6.395	10	40	JKCB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc(Cl)c1	13810888	DWROTSDKPAMJAG-SFHLNBCPSA-N	489.742	5.404	10	40	JKCB	
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)cc3[C@@H]3C=CC[C@@H]32)c1	14166019	NBHKLQPTGBSLCF-RNHFSVANSA-N	485.436	6.929	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc2ccccc12	17373751	VQLFGNUHUNVSNA-XSFVSMFZSA-N	452.988	5.723	10	40	JKCB	
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	21465220	NBMYBWQJAHGAPK-BYYHNAKLSA-N	492.992	6.194	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1	27018194	IYJCULGDIRCFDB-HMAPJEAMSA-N	463.628	5.795	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3Cl)C2=O)cc1	33331170	BFJLJVUERGPYRO-SILNSSARSA-N	463.921	5.290	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3cc(Cl)ccc3Cl)C2=O)cc1	34262182	OALNERJZRVIUSG-HKWRFOASSA-N	498.366	5.943	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	36093450	ZQDNHTJLFJFLGE-GZTJUZNOSA-N	450.379	5.262	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2[C@H]2C=CC[C@H]21	58847118	DTLQAYZIJBFSGA-DFIYOIEZSA-N	450.535	5.462	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1	83293496	CGTAMZFIWOGAFL-FYJGNVAPSA-N	490.943	6.133	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC	85875009	JHDMWJQJMQHLHP-UHFFFAOYSA-N	475.501	5.225	10	40	JKCB	biogenic
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113833751	PUSUSJFCEOQRDF-HZHRSRAPSA-N	492.578	5.978	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1	208218992	KFNPFHNMWWEEPK-NXUSMQHESA-N	479.602	5.092	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1C1CCCCC1	208671305	HHMCKLLQQDKNMZ-UCQKPKSFSA-N	467.059	6.877	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Cl)c1C	223722849	YUFDCMYQMYOWQS-RPWUZVMVSA-N	483.037	5.068	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223758601	WNPBNJXRTKFOQK-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	224169243	NVUZZBYYBZYCED-LOSJGSFVSA-N	493.463	6.973	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)n1-c1ccccc1	224385075	VYTIWEQHHFJKNP-RRPNLBNLSA-N	452.627	6.481	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403485	ZVEGFFREJLCNBH-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21	260921072	OHLNAXPUEHMZIB-RRPNLBNLSA-N	483.685	5.956	10	40	JKCB	
Clc1ccccc1COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	408736176	JPZVWZXBRVXGML-CZSZKKDXSA-N	466.806	7.508	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccc(F)cc2)C1=O	408757233	WNUPXWDFDJNLRK-XMHGGMMESA-N	462.933	6.537	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	408760347	XBJGPQYGGGOIMY-HMMYKYKNSA-N	460.961	5.895	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	408769352	RVAZCFYERZNOBL-LFIBNONCSA-N	474.822	5.187	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)S2)cc1	408775017	FBXGIOCRRKZEBH-LKWZWFHSSA-N	475.614	5.351	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)c(Cl)c4)c3C)S2)cc1	408790615	QHQVNNAWXSNIKL-RLFCKUQXSA-N	496.032	5.696	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(OCc2cccc(C)c2)c1	408800097	KKQYNYAHDMYNRM-WSDLNYQXSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)cc1	408801157	RTIDBFOGFPXEJN-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12	408801716	BDTZKRUJDXFCNB-CJLVFECKSA-N	482.923	5.739	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccc(C)cc2)c1	408814285	YYJNPSFBFYAJDG-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O	408818573	YKRRUDNMBMVGJM-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc12	408877963	ZCJQHNVYCRBRNY-JJIBRWJFSA-N	450.469	5.236	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Cc2cccc(F)c2)c1	408878115	WOZIJGMQRKKHHT-LPYMAVHISA-N	478.907	5.053	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)c(C)c1	408880484	IAKQTXPPKPNWCZ-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409071068	OFXRADOHJSJCST-UCQKPKSFSA-N	460.961	5.933	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)c1	409231326	JVFJRAVXAKJRJO-MFKUBSTISA-N	469.972	6.053	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1Cl	409237623	AOUFDMFQWLOEAU-VCHYOVAHSA-N	470.381	5.232	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	409342465	DITJCVXYJXOSJR-PDGQHHTCSA-N	463.422	5.320	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)c1	409388066	TWSHXVPNCMPUKY-BNCCVWRVSA-N	480.419	6.228	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3cccc(Br)c3)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1	2512862	VARURBLBGGNHLU-UHFFFAOYSA-N	473.754	6.624	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C(=O)N=C2O)cc1	2590149	NXVJBPUILALNCQ-QGOAFFKASA-N	468.340	5.276	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c(C)n1-c1ccc(OC(F)F)cc1	3345838	PTJWEULZFSUKOV-UHFFFAOYSA-N	483.298	5.624	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C(C)C)cc3)C(=O)N=C2S1	8453064	TXPUQXHPXFQCRU-KOKPDDJTSA-N	490.629	5.995	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N=C2SC=C(c3ccccc3)N12	8739157	QFAKLASARWJPSN-JJYAYZJSSA-N	471.969	6.223	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC1=S	8763317	WNRSFIZDELJMQI-ZHZULCJRSA-N	476.019	5.765	10	40	JKCB	
Cc1c(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C	8819058	DETYBTOAMLNAQZ-LICLKQGHSA-N	476.410	5.197	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(F)c5)c4C)C(=O)N=C3S2)c1	9293294	RBKYZPUBBDPNBJ-IYGYZFBGSA-N	487.560	5.240	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S	9805331	QFKQFODHLFRNNW-MOHJPFBDSA-N	477.607	5.949	10	40	JKCB	
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC=C1C(=O)OC(C)(C)OC1=O	12622432	ZTQYPFQBEZNWAX-UHFFFAOYSA-N	477.538	5.391	10	40	JKCB	
CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	14086851	MRYOOXMMPWUZGI-RUZDIDTESA-N	456.933	5.596	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	14413765	YWQLUYWKJYXIFP-HMAPJEAMSA-N	477.919	5.935	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)c(OC)c2)cc1	16031603	JUVWKLNEQWVVNU-AGAVGKABSA-N	492.660	5.458	10	40	JKCB	biogenic,in-vitro
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)cc1	16678638	VWMYGMXXBFHCTE-UHFFFAOYSA-N	479.005	6.121	10	40	JKCB	
Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1sc2ccccc2c1Cl	19321135	HSTRWCQNTHPUAP-UHFFFAOYSA-N	450.991	5.983	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccc(OC(F)(F)F)c2)cc1	20289223	NNMROEMLWLZUBM-JWGURIENSA-N	467.447	5.731	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1	27549244	BXCSXHSHYXZWPT-ZQFCNSAKSA-N	458.568	5.601	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	33604459	VAPXYTICAKOESX-RNLUFLASSA-N	495.652	6.584	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C)CC3)=NC2=O)c1	33920763	JZDGTZCHWSOEJH-XQNSMLJCSA-N	458.587	5.250	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	58845701	MAQMYKFVDUWRFQ-CEYNDMKZSA-N	485.436	6.929	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1	58846369	HXBRMEISSOZIRS-UNVFRBQDSA-N	475.570	5.839	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	58846984	HNZFCGYVWNYXPO-DXMSMQRWSA-N	489.399	6.760	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	113837396	LECCJTRFJRZOEB-LHHJGKSTSA-N	456.288	5.216	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223429220	CVXDFNRAJJBZHL-KAYWLYCHSA-N	483.641	5.374	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223444149	NARZKWJTVLUJFF-KAYWLYCHSA-N	484.625	5.371	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccc(F)cc1	223535913	IORRAOMOXLBXNU-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c(OC)c1	224812538	BEPARZBCHRIJGT-SXOMAYOGSA-N	499.640	5.387	10	40	JKCB	
COc1ccccc1Oc1ccc(N/C=C2/C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	408550302	FRVPXEGEPBPTHG-LGMDPLHJSA-N	497.935	5.024	10	40	JKCB	
CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1	408738858	PIQDGAMWGRIZRX-HEHNFIMWSA-N	458.399	7.218	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Br)cc1	408757490	YCUUZZDBZRAFDX-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1	408936671	HDLBJFTXFXULFP-KGENOOAVSA-N	466.946	5.222	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	408937093	HUHHSYJHMOBSEJ-FYJGNVAPSA-N	465.336	6.014	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1Cl	408972176	TYCKIZSUEAKBMV-WJDWOHSUSA-N	460.795	5.647	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)n(C(C)C)c2c(C)cccc12	409045942	QELHJLMCXQCPPD-OQLLNIDSSA-N	461.434	6.341	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1	409080112	LJALAXATAXBTMX-UQQQWYQISA-N	482.942	6.893	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1	409105273	LZMXGVCSLLILRT-UDWIEESQSA-N	479.514	5.392	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)c1	409113372	HQLHHDWTGBGCPP-FYJGNVAPSA-N	481.982	6.023	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1	409146796	KUJAIEJNTATZAC-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409230320	BYPACBQUFGINBZ-UFFVCSGVSA-N	491.827	7.291	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O	409231353	CFXMIRTTYCBRFM-NDENLUEZSA-N	460.361	5.085	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1	409325089	WQSLTLYKJBHVIW-DHDCSXOGSA-N	450.691	5.119	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S	409332289	QCMCQNPAIBFFJH-CIAFOILYSA-N	493.522	6.010	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)o1	409338043	BZJIPDHVVFUAFV-JMIUGGIZSA-N	465.508	5.088	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409338624	NDMNLKSXQQNFLC-YVLHZVERSA-N	468.825	6.297	10	40	JKCB	
CCOc1ccc(OCC)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)c1	905539	UTDINXRKHLQZOF-UHFFFAOYSA-N	495.576	5.859	10	40	JKCB	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)cc1OC	8443137	DRXDYDUXVUBVIC-JCMHNJIXSA-N	450.535	5.245	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	8821426	QRIQLLYCDHSSEL-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1	9076288	YMPOYQOXMZSAAY-LIAPLOTISA-N	495.554	6.009	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cc(C)ccc5C)c4C)C(=O)N=C3S2)c1	9209453	ZUODTLIEQMSJIB-QRPNVLAJSA-N	467.598	5.687	10	40	JKCB	
Cc1c(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1	9554037	YWROPFMXNHUJBO-WOVJFNANSA-N	476.005	5.927	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)c1	13361790	DEJADAAAWGTQCI-VVZHRXSXSA-N	474.582	5.629	10	40	JKCB	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	14166004	CJRHBMSUEZYJPU-SNFQMMDSSA-N	473.581	6.965	10	40	JKCB	
Oc1cc2c(cc1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c3ccccc3)CC1)OCO2	25561811	AVYRXVINWBKIRM-XMMPIXPASA-N	456.464	5.051	10	40	JKCB	
Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1	26510009	BQYLCQJVCWVDKY-WQRHYEAKSA-N	492.416	5.012	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1Br	27519467	DMFIRSUUUZKGCJ-KGENOOAVSA-N	474.354	6.132	10	40	JKCB	
CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(-c5ccc(Br)cc5)o4)C(=O)N=C3S2)CC1	41084639	BVZFKYUPXASZNV-XKVLWOBQSA-N	498.406	5.018	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58848098	NJZXYIQRRXGNDH-CEYNDMKZSA-N	495.000	5.974	10	40	JKCB	
COc1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c2ccccc12	96115519	KGMCBRZIYLYNOT-SFHVURJKSA-N	496.471	5.180	10	40	JKCB	biogenic
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	113467200	CCSXOOXDPXJPEE-ITYLOYPMSA-N	487.581	5.498	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(F)c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223609143	HNDKYGSOXBNPMZ-ORWNMUSCSA-N	463.553	5.301	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1	224208085	GTYCZQWDILHJQF-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(O)cc1	224434302	ZZBWNGLJDBKTES-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C	224564905	BPBMZFZMYOFJHD-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224837191	MPNCCTMYCUYMPT-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
C[C@H]1CCCN(c2ccc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)C1	225587537	DEUGYUJUCSNLIG-IBGZPJMESA-N	458.021	5.244	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)SC1=S	408578578	YYPGMACQQRSIPX-NVMNQCDNSA-N	481.426	5.621	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc45)c3)C(=O)NC2=S)cc1	408763503	SNMUJFAFHBJHJH-ONUIUJJFSA-N	494.572	5.259	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1	408765803	QKHDOHSYDBSBLC-AQTBWJFISA-N	462.889	5.737	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Cl)c1	408882377	OVMUBMHRQRRZGO-UNOMPAQXSA-N	478.907	5.341	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1Cc1ccccc1F	408883632	VGVHZMRPBIEYHM-RGVLZGJSSA-N	492.934	5.362	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4F)c(Cl)c3)C2=O)cc1	408890489	UPGUJGBCMWTIMS-DEDYPNTBSA-N	494.906	5.123	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1Cl	408990675	YBJSJBOWYNXPQF-YBEGLDIGSA-N	486.267	5.136	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(CCOC)C(=O)N(c4ccccc4)C3=O)c2C)cc1	409018850	ZNIGCEYZQQCOHQ-OOAXWGSJSA-N	499.611	5.462	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C[C@@H]1CCCO1	409079082	JQIXPZNLPXQWJT-NAGKPISUSA-N	480.438	5.953	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1O[C@H](C)CC	409347360	PNSKXSXSXHAGEO-NWGMWSOJSA-N	459.658	6.390	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O	409351446	UKXDRGFDUZHJJI-VULFUBBASA-N	489.706	7.267	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc23)CC1	937823	LIJISMKOTAANFW-UHFFFAOYSA-N	467.871	6.195	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1OC	1167170	IUYQUEOOTJBBCE-STZFKDTASA-N	484.643	5.249	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(F)c(Cl)c1	1182660	MYTOJQTVXSEWMK-YVLHZVERSA-N	469.390	5.753	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1	1183115	RLVDBESAMYLFQQ-ATVHPVEESA-N	451.400	5.614	10	40	JKCB	
Cc1cc(C)c(Nc2ccc(Nc3ccc([N+](=O)[O-])cc3)c3c2C(=O)c2ccccc2C3=O)c(C)c1	8453813	UWBWPFGWGBDBOQ-UHFFFAOYSA-N	477.520	6.783	10	40	JKCB	
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)c1C	12565576	YPUICTHAONPCIE-UHFFFAOYSA-N	471.351	5.044	10	40	JKCB	
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	13774814	QFNPJDHSVYTVCV-QNGOZBTKSA-N	452.645	5.794	10	40	JKCB	
COc1ccc(-c2ccc(CCC(=O)O)n2Cc2cccc(CNC(=O)OCc3ccccc3)c2)cc1	14153023	WDTGPBKXXDFFPD-UHFFFAOYSA-N	498.579	5.656	10	40	JKCB	
Cc1ccc(C)c(OCCOc2ccc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2)c1	26680996	XTUXOKLJNQZQBO-UREHTDJCSA-N	496.592	5.429	10	40	JKCB	
N=C1/C(=C/c2cccn2CCCOc2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N12	33157369	QCHGXURNUAIQSY-NHEADELISA-N	454.555	5.261	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	33529335	MPPMEWIVQUWGPM-UHFFFAOYSA-N	485.584	5.483	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc(Cl)c1OCc1ccccc1F	33616156	DCRFJWLDPNKVOV-LPYMAVHISA-N	482.964	6.458	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC	40940314	KMWPWOINDPJOFU-UYRXBGFRSA-N	477.007	5.074	10	40	JKCB	
Cc1ccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1	41083291	AYAAUNFECJXEJW-FSWFDUBRSA-N	485.613	5.612	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	58845713	RPMSUJBRTMGISF-ATLLOTDBSA-N	485.436	6.929	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(Br)cc1C(=O)c1ccccc1	100542629	BLFZGSZCDLZVNO-QNGOZBTKSA-N	460.331	5.399	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3cccc(C)c3)cc2Br)SC1=S	106119625	UGSIZSWZMBMDSJ-GRSHGNNSSA-N	478.433	5.566	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1	113832369	BAMGPHCYVXVCGR-LPYMAVHISA-N	485.989	6.473	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224431384	FUDFCPQYNMPDEB-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)cc(C)c2)c1C	224571194	GFHJFEQGLYZQHK-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl	260732926	DFKXWFCNACHSDT-DLBZAZTESA-N	460.043	5.801	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260918119	LAZGFGXSKDSQKL-BUALBWRZSA-N	474.674	5.511	10	40	JKCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1	408753752	CFUTVJCINYQFCZ-PCJRJIAFSA-N	491.660	5.165	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccccc4Cl)c4ccccc34)C2=O)cc1	408982515	HMAMNYNREKILIH-JLPGSUDCSA-N	497.982	5.880	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1cccc(C)c1	408988411	QRYLMUDAUQIGPE-MTJSOVHGSA-N	490.943	5.211	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)N(c2ccccc2)C1=S	409016288	QTKGLOSYLNRBRP-LTGZKZEYSA-N	461.562	5.187	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(=O)N(c2ccccc2)C1=S	409017823	HVWGCDIHOLDCCD-HZHRSRAPSA-N	492.044	6.010	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S	409098886	MNDCRRIXBFXJAG-JXAWBTAJSA-N	464.999	5.631	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)NC3CCCC3)c12	409147076	MGIFBJDSNAJAHL-HAHDFKILSA-N	489.666	5.668	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)c(OC)c2)SC1=S	2433637	PJFNQFZFSSTQBF-STZFKDTASA-N	497.594	5.207	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2	3373927	OMZWAURBPDASJK-UHFFFAOYSA-N	484.552	5.265	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc1	8766765	CEIGJHMFFLPSKB-OZHVRZOASA-N	461.518	5.176	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1	8821924	KIZZOKHXVOVOHL-ZCXUNETKSA-N	456.365	5.196	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1	8983524	BMKVSOGTMCAHDO-RTBIWORYSA-N	498.992	5.144	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1	9293314	ULSTWCOQKGZAMI-XVDLVXLGSA-N	458.012	5.386	10	40	JKCB	
Cc1ccccc1NC(=O)C(=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C	13074893	WYBNMEFBDRNYET-UHFFFAOYSA-N	498.583	5.863	10	40	JKCB	
COc1ccccc1N1CCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2CC(C)C)CC1	13562258	NIMCRRUGXIZYOW-UHFFFAOYSA-N	499.080	5.309	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	13635250	BUDOMHCPDYLHMO-KHVXQDHOSA-N	460.599	5.939	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16450605	SIYOIKLKSGUSSW-WQRHYEAKSA-N	453.457	5.169	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1	16678615	JTWHJTVBEKMLDE-UHFFFAOYSA-N	464.363	6.356	10	40	JKCB	
Cc1ccc(OCCn2cccc2/C=C2\C(=O)N=C(O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1	17197016	FGDKHBDZLPJQRM-KGENOOAVSA-N	477.948	5.017	10	40	JKCB	
COc1cc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1Cl	41083230	WWMKXJNBAMWOJY-MBRQZNNDSA-N	485.997	5.040	10	40	JKCB	
CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N(c4ccc(C)cc4)C3=O)o2)c1	59139115	REBCJOKOZMDMDC-NLRVBDNBSA-N	490.515	6.041	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484775	OYLPUKAWRPPGEL-LGUFXXKBSA-N	475.548	5.798	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3cccc(Br)c3)C1=O)[C@H](C)CC(C)(C)N2C	208230189	MWVOBTWCNQAGGM-PZUDMAOCSA-N	496.405	5.146	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2[C@H](C)CC1(C)C	208326052	RCKJUMUHKKTIMS-VZMFNRANSA-N	475.658	5.555	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c1	214794491	DHHDLLPKRFDXNO-VXLYETTFSA-N	474.321	6.188	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Br)c4)c3C)N21	222698355	XFKAVDKAGQUTAL-OFAXGOBFSA-N	481.463	6.231	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1Cl	223460493	OVGJRGUBOMVMAH-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223981823	OTWLPPRQJBVZGV-UIOOFZCWSA-N	496.640	5.328	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1	224568606	WBILUTWNTSZKPG-SXOMAYOGSA-N	484.625	5.683	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1cccc(Cl)c1	408577827	UOSNJWPNIQEVAV-MTJSOVHGSA-N	498.988	5.902	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	408805772	HMIRMWFSZAHBJF-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1ccc(F)cc1	408813817	OXTVPTAQUXMNMY-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OC)c2)C1=O	408870226	VNOKZIAFTCGWES-BKUYFWCQSA-N	492.934	5.307	10	40	JKCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1	408884117	SRSPGBUQWUXXGS-HZHRSRAPSA-N	489.369	5.323	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cc(C)cc(C)c3)C2=O)cc1	408891079	KZPIZFKVCWEOIF-BUVRLJJBSA-N	488.971	5.765	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3cccc(F)c3)c2)C1=O	408937182	MZNGGRJPWVVFFV-MTJSOVHGSA-N	464.880	5.033	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1	408991327	ZWSCPQRDFPOKMQ-XYGWBWBKSA-N	497.982	5.880	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409074598	VQRNWEWFJUAYRO-HMAPJEAMSA-N	483.008	5.761	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S	409105199	HLKGWZSSWMKUFM-FYJGNVAPSA-N	483.998	5.748	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)SC2=S)c(Cl)c1	409162157	SEPFUERUHNSONI-HYARGMPZSA-N	495.025	5.774	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(F)c(Cl)c1	409183000	QWKJQPKZLDHQOO-KSEXSDGBSA-N	496.991	7.027	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c1	409227812	RGZMQRCUFKSACS-GZTJUZNOSA-N	471.365	5.702	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1Cl	409329222	CJUNPAXZXQISBZ-VCHYOVAHSA-N	476.362	6.357	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)SC(=S)N1c1cccc(F)c1	409344589	HGXNRQKNNPUDRS-MFKUBSTISA-N	471.578	6.964	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1	1161032	GOVXIHXYCYKROP-HYARGMPZSA-N	492.373	5.085	10	40	JKCB	
Cc1ccc(OCCCOc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	2180285	MCMATWGGZDDQPB-PXLXIMEGSA-N	497.378	5.611	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	8819761	TUWUYJWEHUYHDZ-HKWRFOASSA-N	459.036	6.049	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)c2C)c1	8997434	FSUUGTKMUYHECH-LPYMAVHISA-N	463.990	6.036	10	40	JKCB	
C/C(Nc1ccccc1-c1ccccc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288299	MREIEBTVNWIIMH-OOAXWGSJSA-N	474.520	6.399	10	40	JKCB	
CCCCCOc1ccccc1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	26532026	CZOORIREDDMAKL-OQKWZONESA-N	493.654	5.459	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1ccc(C)cc1	33378303	XKTWTQXVIPFSOV-YDZHTSKRSA-N	491.590	5.687	10	40	JKCB	
Cc1ccc(-c2nc(C)sc2CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1	58113515	XZRIEXUTDFCPNN-DEOSSOPVSA-N	463.647	5.243	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c(OC)c1	58849246	XPKXPCRTNUCONG-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1cccc(F)c1	59135908	MXDGEYZVUFHVOL-LDADJPATSA-N	480.492	5.224	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	106684000	SEWAURPAMDJQOZ-MYYYXRDXSA-N	472.997	7.137	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222872658	QNCGSBFCZWCEPZ-FGZHOGPDSA-N	458.553	5.890	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223367379	LKFRZRFRIUWVCE-RPBOFIJWSA-N	486.597	5.041	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223894240	NRQHNHQMPBWQOA-IZLXSDGUSA-N	481.669	6.041	10	40	JKCB	
Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccccc1	225696336	GESTUXHTPWPNGC-IZLXSDGUSA-N	495.652	5.490	10	40	JKCB	
Brc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1	226634928	ORHLQYVFQKAFBO-VKJFTORMSA-N	452.133	5.880	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)SC2=S)cc1	408576706	ZDGVDYBELQQNSO-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2ccc(F)cc2)cc1	408757020	ZDUKGCMWGPSHIJ-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S1	408804225	DLVNTFYMUZNKSE-UHFFFAOYSA-N	467.014	6.136	10	40	JKCB	
O=C1/C(=C\c2cccs2)N=C(c2ccc(Br)cc2)N1c1cccc(Br)c1	408847282	UQZUOVOOYZWLRT-LDADJPATSA-N	488.204	6.108	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2Cl)c1	408882461	NFRNGBSPFUEYDQ-HYARGMPZSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1Cl	408983663	GYQQGTKRHJBFOT-MTJSOVHGSA-N	464.880	5.033	10	40	JKCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409023630	JIFOZFLLJUYNRZ-WSDLNYQXSA-N	489.959	5.313	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\NC(=S)N(c5ccccc5)C4=O)c3C)cc2)cc1	409135271	XXEMKRCHWZCIAT-IMRQLAEWSA-N	495.604	6.157	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccccc1Cl	409235394	PBVCEHLEQCMOJI-KGENOOAVSA-N	478.017	5.702	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1	409326650	CZDZUOQJEYTYLZ-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409327072	HMJKIGMWZMLGEJ-BKUYFWCQSA-N	450.541	5.941	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1I	409335104	XNTBAMAHPCLGDT-YVLHZVERSA-N	481.380	5.322	10	40	JKCB	
CC(C)(C)c1ccc(O)c(CN2CCOCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)c1	643583009	FYEKSIQFJGZALP-UHFFFAOYSA-N	489.612	5.390	10	40	JKCB	
COc1cccc(/C=C/C(=O)OCC(=O)c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	3338341	BSFVLUUGEOVQGM-JXMROGBWSA-N	458.341	5.849	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccco3)c(Cl)c2)C(=O)N=C2SC(Cc3ccccc3)=NN12	4398789	RDUMEDKXPIQTQT-XWEQHKKKSA-N	490.928	5.014	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	9290600	ZOQPCFPXROCGPA-BJDNMCPZSA-N	483.641	6.837	10	40	JKCB	
Clc1ccc(OCCCSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cc1	13117860	JNGRXJBBYJOEBX-UHFFFAOYSA-N	469.437	7.466	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	13811007	QOSOVGUFPUOYMI-NEAWXCLQSA-N	456.571	5.586	10	40	JKCB	
O=c1cc(-c2ccccc2)oc2c(CN3CCCCCC3)c(O)c(CN3CCCCCC3)c(O)c12	20113123	JOFIONYCWNNVSV-UHFFFAOYSA-N	476.617	5.623	10	40	JKCB	biogenic
C/C(Nc1cccc(OC(F)(F)F)c1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288401	ZKTVMVYYQLZTSP-QNGOZBTKSA-N	494.498	6.332	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1cccc(O)c1	27519411	HDVDFDFGVBMPGP-CPNJWEJPSA-N	474.343	7.430	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1cc(C)ccc1C	33390876	GGRDRKDCUWVYIZ-JCMHNJIXSA-N	457.617	5.381	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c(C)c1	59459824	KCULMIDQDUHMTK-YBEGLDIGSA-N	451.354	5.314	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113831152	FGSNNURXPUNIQN-CIAFOILYSA-N	466.515	5.719	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c(C)c1	208235471	KMZRTIUIUYYZCA-LANLRWRYSA-N	461.631	5.165	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223727294	YHOOADGEGKTTQA-XNMGPUDCSA-N	490.673	5.340	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(Cl)ccc1O	225010618	SGTCFJBNZUSVSH-ZEQRLZLVSA-N	467.038	5.763	10	40	JKCB	
O=S(=O)(O)c1cc(N=Nc2cccc(/C=C/c3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	245240702	RRVMYYAEPMQLSF-YRDMRMAUSA-N	470.510	6.254	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2F)cc1	408757783	BZPISSBNHAYQTJ-LPYMAVHISA-N	455.316	6.366	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)cc1C	408885190	XQSXQHGHGCRJDL-PXLXIMEGSA-N	489.369	5.323	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	409000436	YFWXSCZGIOHZOB-QNGOZBTKSA-N	468.391	6.014	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)c1	409339563	WFFZOTXUVLMYOL-ODLFYWEKSA-N	481.580	5.910	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409346852	OOGSKFHAYWXXQG-GRSHGNNSSA-N	499.957	5.850	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(C(=O)Nc3ccsc3C(=O)O)c(C)n2n1	2384359	TYVYEZMKXJXUON-UHFFFAOYSA-N	477.571	5.186	10	40	JKCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12	6147914	VEPFKZJYJGNFHO-INIZCTEOSA-N	465.899	6.602	10	40	JKCB	biogenic
CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1	8450802	ZTJTZVWAQRXHEL-UHFFFAOYSA-N	495.623	6.052	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	8821536	WJIVMJKVSHXFNK-ZXMBATIKSA-N	480.951	5.353	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	9193707	JICXZAGRQFSWBL-WOIBEVDJSA-N	469.614	6.447	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCC3)C2=O)c1	9291908	ZZTUASXXUGMIMG-ULJHMMPZSA-N	489.666	6.472	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	9309746	VPXCZVSDPAWJFO-OAXZUEFOSA-N	490.032	6.398	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)c2C)cc1	9313195	NRYGQXXEEFEMRM-MTJSOVHGSA-N	463.921	5.571	10	40	JKCB	
CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1	10059395	GXDKHBRWZOGIQI-HUTHGQBESA-N	469.832	6.450	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(Cl)cc12)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	20288134	FGPZQDCZAUQQDY-BWAHOGKJSA-N	454.961	5.679	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)cc1Cl	35385556	DAIUBTVHUZDMDV-XDHOZWIPSA-N	455.992	5.422	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1OC	58849465	JFONAKVFEZMTIP-LZCXECNNSA-N	462.571	5.331	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(C(C)(C)C)c1O	96505114	WIVOJSRXJFEVFP-CPNJWEJPSA-N	460.064	7.046	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)c2C)ccc1Br	106692867	MTZUSJSKAONXPM-UUYOSTAYSA-N	499.405	6.541	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1C1CCCCC1	113833846	TWUNCJCUCDTEDP-OEAKJJBVSA-N	467.059	6.877	10	40	JKCB	
Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)c1	214599591	QVVZARMEKPPWLB-RGVLZGJSSA-N	453.903	5.843	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(Cl)ccc1O	223338085	IJEHOCFJGZNMBP-BJKOFHAPSA-N	479.005	5.614	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1O	223385944	IWUHJBXDRHSCIB-UIOOFZCWSA-N	454.599	5.367	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1C	224370984	LEQNKAMFTIBNRL-XZWHSSHBSA-N	494.708	7.406	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1	224988152	QOZYSESFPUOYDH-UHFFFAOYSA-N	479.646	5.189	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C	260766253	JLMHWRINDACEPP-AIYSXCBHSA-N	453.011	5.740	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cn1	408738175	RIMSVBFSVXLDJH-HMMYKYKNSA-N	499.364	6.584	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)c(OC)c3)C2=O)cc1	408810624	KHBMJUDNZZGTEX-BUVRLJJBSA-N	484.552	5.120	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Cc1ccccc1F	408880867	IVMYEPUAVPGITJ-CIAFOILYSA-N	478.907	5.135	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409015124	ANXTYFQDHHSJCY-HZHRSRAPSA-N	492.044	5.928	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCC(C)C	409043830	FNJRUDCGFMVDIE-XGICHPGQSA-N	493.259	6.530	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	409096595	DRCWFDQYONXBOP-GJSJWPQCSA-N	467.736	5.491	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	409246501	CAMJHUYIPSCIPB-UFFVCSGVSA-N	475.372	6.777	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S)c1ccc(Cl)cc1	409340094	QIFWMLIIZBNAMD-FYJGNVAPSA-N	498.988	5.604	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)SC1=S	409341459	BAGRBRTYGNDJLY-JAIQZWGSSA-N	482.454	6.582	10	40	JKCB	
CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(Cl)c(Cl)c1	2189129	FMEQBRHMGCAQLG-DEOSSOPVSA-N	453.373	5.987	10	40	JKCB	
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1	2637066	VEOUVEYBELQIAY-UHFFFAOYSA-N	452.967	5.516	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)CC	3768710	WDSCTYOLIMFUBU-GNUZOCDUSA-N	492.460	6.431	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	6600594	XNWQDUNYJJGQMG-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	9293652	GPXQMWUABORVEK-GGILCJMTSA-N	486.306	5.582	10	40	JKCB	
CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	9427453	WIFHNUYDXFBFEC-MOHJPFBDSA-N	491.682	6.720	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	9884816	OQPFKTVTTKUKLK-GULXKOIASA-N	488.439	5.661	10	40	JKCB	
COc1ccccc1/C=C1\C(=O)N(c2ccccc2)C(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	12371701	CHAGCCBFNGUSCH-QGOAFFKASA-N	483.376	5.750	10	40	JKCB	
COC[C@H](C)n1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nc2ccccc2c1=O	13141806	AIVVPWBGXIGHEO-KRWDZBQOSA-N	479.577	5.126	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1Oc1nc(Cl)ncc1F	15018749	AVQGWNMTGGQPGU-BOPFTXTBSA-N	452.873	5.266	10	40	JKCB	
CC(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(I)cc3)C2=O)cc1	16575723	FJBZFXKGWMTVPE-GZTJUZNOSA-N	493.391	5.456	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)SC1=S	40005928	JWAXAOUAQHWFBX-GRSHGNNSSA-N	468.427	6.192	10	40	JKCB	
CC(C)CN(CC(C)C)c1ccc([C@@H](Nc2ccccn2)n2nnc3ccccc32)cc1[N+](=O)[O-]	59488682	BKLAKHJEMKAFCU-SANMLTNESA-N	473.581	5.512	10	40	JKCB	
Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1/N=N\c1ccccc1	104090871	LKLLYUYCKZADMU-ZQZMJUSDSA-N	479.551	5.334	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Br)cc1	169616522	OAFNLWWUNWOWLQ-ZSXPUABSSA-N	490.397	5.642	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c1	208232927	KYAJDXCLKNOYNC-ZFJBLLOBSA-N	461.631	5.165	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccc(OC)cc2)c1C	223419974	KLTNPNYYHZOQKU-VMPREFPWSA-N	496.680	6.233	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223614937	SGPAXPFSMUDNJF-DNNAEVNTSA-N	466.622	6.871	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1	224796094	JYMOFCPIEPPTTB-UHFFFAOYSA-N	479.646	5.189	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(Cl)cc1[N+](=O)[O-]	408526180	AETJMSAUHDACMR-ZROIWOOFSA-N	463.719	5.346	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1	408634493	VINJQYUPGYZOIM-LTGZKZEYSA-N	469.010	5.827	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)C1=O	408869229	RLCPVZHQNMDMHB-ZHZULCJRSA-N	460.917	5.148	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3cccc(F)c3)c(Cl)c2)C1=O	408879819	GZPBENJUMZAMJT-XDHOZWIPSA-N	483.326	5.698	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cc(C)cc(C)c1	408935916	FDPXKSTWTYEHFN-BUVRLJJBSA-N	458.945	5.978	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409054054	MASBFLVCXILFMI-ONUIUJJFSA-N	454.570	5.978	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1C	409073210	PQFAPWMFBWBLPF-FYJGNVAPSA-N	478.017	5.504	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)c1C	409139509	BDICLAOIQPKIPQ-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc(F)c(Cl)c1	409182470	LFFYZCRHTWEDCG-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1cccc(F)c1	409235748	QFQYFSBBFBSAMN-UFFVCSGVSA-N	467.497	5.047	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)c2C)c(C)c1	409240858	QGCCSTIKXCSZMW-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	409254322	WTZDWMOWIHESSL-LICLKQGHSA-N	466.344	5.145	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1O	409334695	VUSYZOKQIFMEBA-VIZOYTHASA-N	460.791	6.157	10	40	JKCB	
O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1ccc(Cl)cc1Cl	409347404	PUYWIRJYBVYONQ-VGOFMYFVSA-N	492.190	6.004	10	40	JKCB	
O=C1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1	1534646724	RDCNDTQRIZURCR-GOTSBHOMSA-N	458.558	5.014	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C2=O)cc1	2223557	MFZIPPVXDOBBAI-XUANBZSPSA-N	471.557	6.123	10	40	JKCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)SC1=S	2863879	QWJOFPVYFOBKEV-PXNMLYILSA-N	489.243	6.166	10	40	JKCB	
COc1ccc(OCCOc2c(Cl)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2OC)cc1	8408024	GFHODGFMASUNAD-HZHRSRAPSA-N	492.959	5.621	10	40	JKCB	
CN(C)c1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1	8453516	DMLOEBAFQCNNHL-OBGWFSINSA-N	452.518	6.108	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@@H]32)c1	8606298	JLLJHABMEMDYAZ-WCYRKSIYSA-N	460.599	5.939	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	9010028	RBUJSBLSVOFQJO-NLRVBDNBSA-N	495.648	6.434	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1	9292424	PDWTZEDPDHVUGZ-DVELLGFNSA-N	455.587	5.745	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1OC	9480007	RXVFPLRCAVOFRF-MFOYZWKCSA-N	473.925	6.172	10	40	JKCB	
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc(F)cc1	15231464	AKUFVOJLWFOAKJ-AREMUKBSSA-N	478.955	5.244	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1	16042977	VUKJILLDBZDVEJ-MZTLHNGDSA-N	474.689	6.564	10	40	JKCB	biogenic,in-vitro
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1F	16729178	VLMSQRQNQKYPMV-XKZIYDEJSA-N	481.618	5.934	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)c1	19793124	LOOZGJCZWCZSAN-INIZCTEOSA-N	461.480	6.301	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(C)n1C1CCCCC1	23411413	LYNNIYXJKLPMDJ-DEDYPNTBSA-N	486.435	6.044	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850244	YJTOIPWXPIZOIJ-RHGYRFJNSA-N	489.399	6.760	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4C)c(Cl)c3)C(=N)N12	103563424	MPARMFAEHYTPBS-KUYAPCGNSA-N	453.951	5.273	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106756396	BZIZDWYATKYRQA-JAIQZWGSSA-N	492.428	5.450	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c1	214856952	IZBDAVPHEQXJNA-VXLYETTFSA-N	474.321	6.188	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224202065	QDNCTRAUSKYJKO-VSGBNLITSA-N	466.654	6.537	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C	224565463	XKTNOOFGEULADD-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(C(C)(C)C)c1O	408531081	LZACUWGYJSZTDC-ODLFYWEKSA-N	478.054	7.186	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	408759375	CZPZJHSYOGDUGU-RCCKNPSSSA-N	493.415	7.441	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2ccccc2Br)cc1	408766525	VEGVCTHAATWLGY-KOEQRZSOSA-N	467.366	6.745	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	408776572	WAJZUMSIUBYZTJ-LFVJCYFKSA-N	490.991	5.260	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408871023	XEUVUCKWGTVHKX-OEAKJJBVSA-N	488.971	5.613	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc(Cl)c1	408933523	ANCUHJVDABYCBS-HZHRSRAPSA-N	474.944	5.760	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409055468	CCSNAYXSJGRXCT-RGEXLXHISA-N	481.379	6.278	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1	409141444	JUHMIHKBRACQFS-RUZDIDTESA-N	477.651	5.678	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)c2C)cc1	409148989	VNJNMDCRIJSEJR-BWAHOGKJSA-N	487.625	5.655	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S)c1ccccc1	409176314	KEHRBYIIAWBNDS-WOJGMQOQSA-N	475.378	5.800	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)SC2=S)c1	409329152	DCBFQSYBVFBRLH-XKZIYDEJSA-N	467.612	6.532	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)SC2=S)cc1Cl	409332825	RZHZVAQDSUHKHI-CIAFOILYSA-N	469.971	6.217	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)o2)c([N+](=O)[O-])cc1C	409350607	YQUXGTYQRRNANH-RGVLZGJSSA-N	454.504	6.017	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ncccc2c1	634872	OVKFQYLWCSCIRA-HMAPJEAMSA-N	486.984	5.127	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	849729	XQJUGKVZQKDGQO-XNTDXEJSSA-N	461.301	5.224	10	40	JKCB	
O=C(O)CCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	1452585	FSRVYXQOXYGCLR-CPNJWEJPSA-N	484.002	5.259	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccccc1Cl	2378112	TYVMDHNBBOAZTL-UHFFFAOYSA-N	456.922	5.462	10	40	JKCB	
Clc1ccc(-c2nc(Nc3ccccc3)sc2/N=N/c2c(Cl)cc(Cl)cc2Cl)cc1	8453701	MVCJXLVJSHQZEV-ZQHSETAFSA-N	494.234	9.583	10	40	JKCB	
Cc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C\c4ccco4)SC3=S)s2)cc1	8820314	NJLYGQLJQSXFKW-CPNJWEJPSA-N	483.640	5.255	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCc1ccc(C)cc1	9188444	YUOOIYMTOLNUEP-XKZIYDEJSA-N	451.569	5.577	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	9232824	MCXILAOXJBLKTP-NJDFMEINSA-N	451.972	6.071	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1	9762219	FVXWSMQWXFUINH-HYARGMPZSA-N	491.385	6.233	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc2ccccc12	15223903	WVDACPQTASCYQI-HAHDFKILSA-N	453.473	5.053	10	40	JKCB	
NC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2Cl)c1-c1ccccc1	17130507	LCQQGFHDZOIIRE-CYYJNZCTSA-N	452.370	7.031	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCC(Cc5ccccc5)CC4)=NC3=O)o2)cc1	27019559	BOCAIASTSDLNPT-ITYLOYPMSA-N	470.594	6.074	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CCCOC)C2=O)ccc1OCc1ccc(Cl)cc1	33457250	OKECTGCKWSXWAW-KGENOOAVSA-N	478.035	5.555	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(OC)c1	35038993	CENWDODBNXVWER-HMMYKYKNSA-N	465.637	5.501	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3ccncc3)=NN12	41074354	QRVNWOYFDBAKPQ-FWPSJRISSA-N	465.947	5.147	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3cccc(Cl)c3Cl)=NC1=O)[C@@H](C)CC(C)(C)N2C	208232556	VUDBCNLXVHBKRV-GNKPEBMXSA-N	474.457	7.106	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223391131	UCVGFMDRXARZOE-KAYWLYCHSA-N	496.636	5.668	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018578	RAVAQFHGQMEVOP-NSOVKSMOSA-N	496.636	6.012	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1O	224465521	ODQIYSKGSVUJBH-JWQCQUIFSA-N	475.017	6.025	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224530247	KPGCJORRXRJFGA-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1C1CCCC1	408776689	QCRVPAAQBHXIHI-UHFFFAOYSA-N	469.610	5.968	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cccc(Cl)c1	408794713	BAZQIFGGTMIOQV-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1C	408855944	OVOAFZSDVZCCFP-XDHOZWIPSA-N	498.435	5.849	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2F)C1=O	408867632	LQGXLXIMQYWWOI-CPNJWEJPSA-N	483.326	5.698	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	408874155	ZJCVXQKUGQIDRY-UNOMPAQXSA-N	483.376	5.404	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(=O)N(c2ccccc2)C1=S	409022038	CTUXRSWQJHLFAE-KOEQRZSOSA-N	471.626	5.665	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(n4c(C)ccc4C)C3=O)o2)ccc1Cl	409210230	FORQKEZZTSAQQQ-UDWIEESQSA-N	487.002	5.732	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1	409234760	MGGIRPHGMUBEHI-KGENOOAVSA-N	462.596	5.694	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409331875	PDRKXQNYODWHFA-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1	409334427	XTBILVSXFQRTIW-HAHDFKILSA-N	464.587	5.877	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)cc2)c1	409335080	YPOXXSIOEKXELA-ONUIUJJFSA-N	467.615	7.133	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc2n1C	409339539	JWIXFRKNBXMMLH-ZDLGFXPLSA-N	477.836	6.308	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	409350652	YRSWJLKVYQBIRN-GZTJUZNOSA-N	479.377	5.552	10	40	JKCB	
COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4sccc4-n4c(C)ccc4C)cc3n2)cc1	1384267	XKCJLBHHJBSPTF-UHFFFAOYSA-N	468.504	6.560	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1C	3333138	UHBGHTODGQJOOD-UHFFFAOYSA-N	478.879	5.153	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1	9188514	RNVIOTVVYLILMB-UCQKPKSFSA-N	482.026	6.642	10	40	JKCB	
Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C1=O	9242371	WZNXEQJNSXBHPN-QNGOZBTKSA-N	471.944	5.718	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)o1	12630561	PKMWCKYDLNEMMF-JAIQZWGSSA-N	498.354	5.952	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)c1ccccc1	33529432	TXTXYOSIWMTGKP-CXTZRUPXSA-N	475.635	6.627	10	40	JKCB	
Cc1ccc(COc2c(Br)cc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	35088663	XKHUMSPHVRFGDC-NDENLUEZSA-N	497.776	5.451	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC(=S)N1c1ccccc1Cl	35638418	QDIJXVRDRVKWBA-WQRHYEAKSA-N	476.804	6.768	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCCSc1ccccc1	102466755	SLUJHPKCCZLHKR-PXLXIMEGSA-N	479.001	6.326	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	222989074	KOVHLAPZNZFARZ-RPWUZVMVSA-N	462.619	5.048	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1	223404971	WHBXIDIWFBKHMH-FTJBHMTQSA-N	454.599	5.362	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223825004	OSPGOYIBIJNUQB-KAYWLYCHSA-N	483.641	5.768	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccn1	223887738	RWIMNOMLAGBLMG-FTJBHMTQSA-N	468.630	5.127	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cc(Cl)ccc1O	224597064	JGYXPZSWQREFAB-LOSJGSFVSA-N	491.016	5.731	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccccc1	408740249	ARVQTQAGMKBFOI-KGENOOAVSA-N	477.354	6.408	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)cc1	408800416	PCJBAXZPPBWQGO-PXLXIMEGSA-N	460.917	5.148	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)c(C)c1	408806454	JHBXDZYBZHJZNC-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
CCOc1ccc(Br)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408877773	UKPVBQXCKHOYKC-UHFFFAOYSA-N	491.341	5.431	10	40	JKCB	
O=C1C(=Cc2ccccc2Cc2cccc(F)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408883474	REPKLRWIEOHYCK-UHFFFAOYSA-N	476.507	6.000	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)c(C)c1	408885833	BOSFACBTTFAPJF-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408893732	HBFAKHHFGVMUKU-OEAKJJBVSA-N	474.944	5.511	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)C2=O)c1	409238964	XRAWBVWKQQWTSR-YDZHTSKRSA-N	478.390	5.566	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc(OC)cc2)C1=O	409333455	TXNFCEMYKXTZRK-PDGQHHTCSA-N	464.406	5.652	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC(F)F	409342769	HJNWENQORHHFJC-VIZOYTHASA-N	462.326	6.009	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O)c(CN(C)C[C@H]3CCCN4CCCC[C@H]34)cc12	1565519483	AXTNJCUAEQQRPL-YIXXDRMTSA-N	474.645	5.403	10	40	JKCB	biogenic
COC(=O)c1c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CC[C@@H](C)C2	938460	ORKDUELRXVEHDV-HWPZZCPQSA-N	498.548	5.120	10	40	JKCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	1011073	LMFLHFGNGXEFBU-QRVIBDJDSA-N	479.989	5.942	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccc(C)cc4)nc3O2)cc1	2094481	URLYEYSSTCXGCW-AREMUKBSSA-N	483.641	6.489	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC(=S)N1c1ccccc1	2856436	XKNSSUNJKNRMND-BKUYFWCQSA-N	466.515	5.719	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc(Cl)ccc1O	8819682	ZWRSZQWLYCMHIS-UYRXBGFRSA-N	461.008	5.446	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	8922456	CXBRMDHLKHGFHR-FRIUOVIDSA-N	488.491	5.407	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccco1	9015830	AVXRTGOAHPJHTN-HYARGMPZSA-N	489.915	5.469	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Br)c3)o2)SC(=S)N1Cc1ccccc1	9296565	QZUCZOODRLRZDI-UNOMPAQXSA-N	456.386	6.111	10	40	JKCB	
CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=S	9322206	PJICDMPNNCKEBW-HMMYKYKNSA-N	495.398	5.663	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)c(Cl)c1	13941785	DPKFJJFHJOHDOY-FYJGNVAPSA-N	481.379	6.777	10	40	JKCB	
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@@H]3C=CC[C@@H]32)cc1	14165960	LRBFOZKFZIWXDV-SWYRRKHMSA-N	465.018	6.584	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	16291398	QEWYXEYMOMVIDU-ITYLOYPMSA-N	472.629	6.274	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21	20059442	YXSDXNHCQOERLP-SZXQPVLSSA-N	486.571	6.948	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2ccc(Cl)cc2)cc1	20288596	AWGLLGDXZXHZNR-BWAHOGKJSA-N	475.976	5.214	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)cc1	58850077	CJUNQZTZQGUODU-BOCWGRARSA-N	482.605	6.476	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	222882165	HWUFJDZXAPQRHP-DHIUTWEWSA-N	455.027	5.534	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1	223893628	GLGLCACEYYLEFP-SXOMAYOGSA-N	467.642	5.732	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	224193566	RBUNBQQJHZBOHJ-FTJBHMTQSA-N	454.643	6.199	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Br)cc3F)cc2)C1	260732763	AYIOIYRDCGMDEF-GJZGRUSLSA-N	450.421	5.872	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(F)cc3)C2=O)cc1	408761530	FQDZWJUBIPIJJV-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(OC)cc3)C2=O)cc1	408762521	BYRJMFNZGMEVIT-CJLVFECKSA-N	488.996	6.797	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	408818401	XUYWGKQCUFNYHZ-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408868054	NDUPRPMYAOWOMF-UDWIEESQSA-N	469.299	5.390	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1OC	408900949	AMEZXJAGBGYADG-LICLKQGHSA-N	450.379	5.262	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(F)c2)ccc2ccccc12	408945992	XVYNGLVHVVTJGN-KOEQRZSOSA-N	464.496	6.000	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	408984711	JIYDFMLVJLYJIM-XSFVSMFZSA-N	490.353	6.017	10	40	JKCB	
COc1cc(C=C2C(=O)N(c3ccc(C)c(C)c3)C(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1C	408985789	AXZNAVZJDMCVQS-UHFFFAOYSA-N	484.621	5.986	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C(C)=O)c3)C2=O)cc1Br	408986654	SBONRPAOOOPYCJ-HYARGMPZSA-N	488.381	6.522	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O	409015304	ZLAWOIUVUAMSDF-AGZSBTIMSA-N	467.374	5.389	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409058693	VDGSKESQTUKWJW-FMCGGJTJSA-N	495.406	6.587	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409064299	BYSBQMBKNQUWTD-FMCGGJTJSA-N	475.976	5.324	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S)c1ccccc1	409172897	JFWGVFKOXWUDGO-ATVHPVEESA-N	473.000	5.630	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1	409206537	WXBVLSMAZUJLRE-HZHRSRAPSA-N	459.376	7.620	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(OC)c1	409330311	KZBIYMUWSNTQSO-FRKPEAEDSA-N	470.797	5.526	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)cc1	409346792	LIXAOSHRVCDNQV-YBFXNURJSA-N	471.943	5.713	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1c1ccccc1	2067541	WGNUCKSCLFGBCD-NDENLUEZSA-N	479.495	5.701	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccco2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	2398707	VCFWWRVFVGRKJX-PFBJBMPXSA-N	489.502	5.735	10	40	JKCB	
CCCn1c(SCC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)nc2ccccc2c1=O	3360876	XREGYBOXIRVYOA-UHFFFAOYSA-N	461.587	5.198	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1	8816257	GOELOWSHSIJDAF-LPYMAVHISA-N	463.534	5.217	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9191811	MYGIKGNYIGEBLS-KAGZEXGGSA-N	480.037	6.255	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	9291575	YOUFUNVJGXFIDD-BIRLBKGPSA-N	453.571	5.129	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	9763720	BPQFIBYRBPNGAJ-NYULUDCUSA-N	452.579	6.467	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)c(Cl)c3)C2=O)cc1	13689523	AODAHHZPIIFZNT-QAIWHXNASA-N	496.394	6.023	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1C	16713852	UFRURHGMTAXUND-UCQKPKSFSA-N	487.606	5.851	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1	20288122	UTNWDNSMZMZNOX-DIBXZPPDSA-N	480.568	5.042	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1	33860908	LFNKQHPUBFSMCT-XVCGDLFISA-N	467.598	5.573	10	40	JKCB	
CC(=O)Nc1ccc(NC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl	58161225	IMMBNZQWPLLGOR-UHFFFAOYSA-N	460.759	5.721	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(Cl)c1OC(C)C	96193411	LGVYDIRNXFXZCS-CHHVJCJISA-N	463.317	5.294	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	113838708	JFPJNRJJNKFNMV-RGVLZGJSSA-N	465.471	6.935	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(F)(F)F)c1	222587622	ZSKQKALSLKSRMC-ITEAAPOESA-N	456.537	6.097	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224529622	SREJTFURMCTCFI-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
CN(C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc2ccccc2c1	408735804	XADZYKKVMUYIFN-UHFFFAOYSA-N	494.623	8.076	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)c(C)c1	408738121	OTCRSQBNIZCYMK-HAVVHWLPSA-N	462.505	6.943	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1OC	408754395	NCURBEBEAJXYAM-GZTJUZNOSA-N	497.334	6.390	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C(=O)NC2=S)cc1	408763196	RQDMYOXRSAADJI-UQQQWYQISA-N	494.572	5.259	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(Cc2cc(C)cc(C)c2)c1	408867893	MMVVVTBQOAIKDA-PCLIKHOPSA-N	468.553	5.186	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc2ccccc12	408870654	WYOGZPVSEBBRBE-ULJHMMPZSA-N	464.546	5.250	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O[C@H](C)CC	408897256	IPMVUHQKBMGSSE-VGSSETLESA-N	477.344	5.236	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccccc1Br	408986046	OPFKNYPJZOMBSQ-SFQUDFHCSA-N	471.181	7.227	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409020399	OVZQEPLUTVXWCL-ITYLOYPMSA-N	468.597	5.626	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	409122867	CNNCEXHJVPBQAF-XIEYBQDHSA-N	459.615	5.829	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	409330904	NLKRXAKEHJACFU-CIAFOILYSA-N	466.540	5.886	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(O)=NC2=S)cc1	858024	VNYACUMNKIHHGT-BUVRLJJBSA-N	457.599	5.945	10	40	JKCB	
CCOc1cc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)ccc1NC(=O)CC	1346240	STVRACJRGDZOER-UHFFFAOYSA-N	478.530	5.114	10	40	JKCB	
CC1(C)C=CC(C)(C)c2c(NS(=O)(=O)c3ccccc3)ccc(NS(=O)(=O)c3ccccc3)c21	1727949	DVYVRPXBKYPNNB-UHFFFAOYSA-N	496.654	5.413	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1	2232107	XCUURFLWCVIYTD-AZFHEMCLSA-N	491.591	7.268	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)cc1	2355882	MKBHKFZZVDOHBQ-HAHDFKILSA-N	477.655	6.185	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1OC	6176978	VVMZJLWTGKRRJZ-ATLLOTDBSA-N	480.561	5.470	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	8744470	ASIGJLIWVBVUQX-VHSZZVNMSA-N	498.535	6.207	10	40	JKCB	
CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccc(N(C)C)cc1	8774945	IMHNNYAXGXMKKC-VWLOTQADSA-N	484.987	5.612	10	40	JKCB	
Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1	8820128	XJUBRADAXMQCTC-HKWRFOASSA-N	459.036	6.049	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4ccc(C)c(C)c4)c4ccccc34)C(=O)N=C2S1	8986066	JNMWOCNVTLHQGA-XVCGDLFISA-N	485.613	5.675	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9089717	UIOCVXAKKKONAX-SDHSZQHLSA-N	498.376	5.472	10	40	JKCB	
O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1cccc(OCc2ccccc2)c1	9189272	VLWXYQRQOXJHDH-BWAHOGKJSA-N	473.573	5.197	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1	9763741	CIUKZVVMQXKWCY-MTJSOVHGSA-N	488.556	6.527	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)cc1	12285455	CIJIAIDPJXUHPE-XWCAUFEOSA-N	492.062	6.151	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4ccn(Cc5ccc(Cl)c(Cl)c5)c4)C(=O)N=C3S2)c1	13892987	BFBIIIUDUDPLKJ-QHQJJPTGSA-N	494.407	5.819	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	14010060	IZBIOHADQAYYES-WKRCLWGVSA-N	489.399	5.253	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=S)N=C3O)o2)cc1Cl	17112493	ABSNMGWRYXZXCF-MHWRWJLKSA-N	487.320	5.623	10	40	JKCB	
Cc1ccc(C)c(OCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	27548754	QOYNXWHJHJHLAT-HAHDFKILSA-N	483.524	5.432	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	33723308	MIPXZYOBBWNXLZ-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58847604	ZIBMUOFJBIPTHM-WZOHSFFVSA-N	480.973	5.696	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	58849999	XVFCAOFZTPYHEY-SGIRGMQISA-N	477.542	5.231	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4cccc5ccccc45)C3=O)o2)c1	106718524	YOGHSPRRGXPXFI-QRVIBDJDSA-N	489.936	6.688	10	40	JKCB	
O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1C1CCCCC1	208638637	SMYIBGSSHPDGIZ-NDENLUEZSA-N	485.543	5.829	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223344287	KPMVSVBZXHTWTO-UIOOFZCWSA-N	456.615	5.817	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223425246	NKUUEZTXGGBKCZ-VMPREFPWSA-N	496.680	6.287	10	40	JKCB	
Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCCC3)cc2)c1	223458333	NFNRZBQHHOGODF-BWAHOGKJSA-N	459.615	5.134	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224405690	WMSYBGXUTREZJI-LOSJGSFVSA-N	457.578	5.509	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(=O)O)c2)c1C	224569327	LVYCEIUAIOHBQZ-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)N(c2cc(Cl)ccc2Cl)N=C1C	408530089	IQTKGYLBFZWEFZ-KAMYIIQDSA-N	473.364	5.140	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NC(=O)Nc1cccc2ccccc12	408530188	IXXLBGKYYTWJCF-UYRXBGFRSA-N	463.335	5.339	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(C)c(C)c3)C2=O)c1	408808619	QKKAKIBEGQPWFW-OEAKJJBVSA-N	488.971	5.819	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccccc1Cl	408964036	MDZCWKQQTKHDPJ-UYRXBGFRSA-N	486.877	6.276	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1OC(C)C	409244506	DSBBQFZCATUCJO-YBFXNURJSA-N	487.021	5.481	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409347517	LYULZWXOCONKJF-HIPMGEKLSA-N	482.852	6.686	10	40	JKCB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1Br	1221515	IQQFEWBVGIYDLK-UHFFFAOYSA-N	471.336	5.193	10	40	JKCB	
CC(C)(C)c1cc(Cl)c(O)c(CN(Cc2cc(C(C)(C)C)cc(Cl)c2O)C2CCCCC2)c1	1594600	NUQSGOOJHNLWLR-UHFFFAOYSA-N	492.531	8.335	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc6ccccc56)c4C)C(=O)N=C3S2)c1	2425080	ZVIWNGMBCORMHC-LLIKLIDUSA-N	489.604	6.223	10	40	JKCB	
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)n1	2616890	VNFOLJJQBKMBAO-UHFFFAOYSA-N	466.994	5.825	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	8821370	RVMOSORGLHYUTA-KYYPIKSYSA-N	476.019	5.764	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(Br)cc1O	9233858	PSKYBYGJBGXMFD-PJQLUOCWSA-N	491.215	5.876	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)cc1	12274962	YYWXBAWZNQYWBT-DEDYPNTBSA-N	490.433	6.706	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc(Sc4nnc(-c5cccnc5)n4C)c([N+](=O)[O-])c3)C(=O)O2)cc1	12285103	UHXOLJAHSQGDOT-UDWIEESQSA-N	497.536	5.226	10	40	JKCB	
O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc12	19793070	SIMYSFRVSLNZHC-UHFFFAOYSA-N	460.961	5.137	10	40	JKCB	biogenic
Cc1cc(/C=C2/C(=O)N(CCC3=CCCCC3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	33332442	YUOKVSNAVXPMKU-PXLXIMEGSA-N	451.567	5.591	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	41076331	CLYLPRZDXXOGPF-JYHUHERQSA-N	490.589	5.510	10	40	JKCB	
N=C1/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12	41108508	XPJCJTUTCBIKCB-ZUGBYVCQSA-N	450.589	5.566	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1	58849364	CDVNZISIYHFEIT-ANSQWYIGSA-N	480.561	5.470	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)N=C(O)N(c3ccc(Br)cc3)C2=O)c1C	59198224	SZUJUMPAXOMELJ-KGENOOAVSA-N	492.373	5.290	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171079	QCRLZDVAHRKCSV-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1ccc(C)c(C)c1	224624986	TZANBAKRCWKEIY-UHFFFAOYSA-N	474.601	5.252	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1	225666362	RIKRHKBSUPAAIA-FQEVSTJZSA-N	450.652	5.351	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)C2=O)c1	408776780	QRQNLPOJGBJEJH-GZTJUZNOSA-N	499.748	5.646	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409051148	AQZIEZXXQNUKFM-QETRNLNESA-N	489.015	6.490	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(c2ccccc2)=NN1c1ccccc1	409088603	FTWVRZWPJIFMIB-VAMRJTSQSA-N	480.567	7.253	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1cccc(F)c1	409140551	FKSVXCHCVZMTMQ-HAHDFKILSA-N	476.529	5.204	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409156717	UGPOVZVBUOVMKK-VBHSOAQHSA-N	465.731	5.854	10	40	JKCB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1	409165681	APXDTBMURAAKAK-LPYMAVHISA-N	477.611	5.491	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1	409331897	PKPBBBMVFHVEDS-BKUYFWCQSA-N	492.534	5.228	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O	409338645	NMJCCAKTTBJZNK-RQZCQDPDSA-N	484.824	5.916	10	40	JKCB	
Cc1cc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)n2)c(C)n1-c1ccccc1F	3197569	BLRWXYXTSWPCRD-UHFFFAOYSA-N	495.514	6.246	10	40	JKCB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	6298941	BBSXKAWCXXOBBW-WHSLLNHNSA-N	482.960	5.276	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCCCOc1ccc(C)cc1	8453160	DMCWRPBSKHUAIC-XIEYBQDHSA-N	456.542	5.658	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)c(Br)cc1O	8456867	ZRXRSQUELKJYGQ-VIZOYTHASA-N	469.257	5.378	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl	8820424	ABPBDWIZDWEXCA-DFBITEFZSA-N	463.411	5.780	10	40	JKCB	
CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2c(O)c(OCC)cc(Cl)c2Cl)N3)C1	8921727	HVPSULGVHHEBFB-KRWDZBQOSA-N	486.377	5.103	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1	9292132	FEJYRLUFKUPLLZ-CLJVFQDKSA-N	490.629	5.817	10	40	JKCB	
CCCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1	13196333	GFCSWDUHNHAPDK-RCCKNPSSSA-N	471.051	6.108	10	40	JKCB	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	13777546	JUHGSJBZVDODBQ-HTRKUNOGSA-N	466.378	5.020	10	40	JKCB	
Nc1nc(-c2cc(Br)ccc2/N=N/N2CCCCC2)nc2ccc(Br)cc12	17046958	KUMMYSBDKOAQDW-OCEACIFDSA-N	490.203	5.889	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C	27018615	GYDRZRYXLLIKOQ-DIBXZPPDSA-N	476.580	6.443	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Br)c3)C(O)=NC2=S)cc1	38173037	MWJRDUIMLAHNFC-NTUHNPAUSA-N	465.756	5.042	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1OC	58846552	DDUFWBUTUFVKAA-SXDGJLEOSA-N	490.625	5.948	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847423	MWOUCHZGIUVXQR-PPJWLVRDSA-N	481.017	6.366	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	59249029	CJICLAZCCIWSGJ-LFIBNONCSA-N	460.704	5.104	10	40	JKCB	
CC(C)n1nc(O)c2c(-c3ccc(OCc4ccccc4)cc3)c3oc4c(O)c(O)ccc4c3nc21	95475231	PVLQRDSPBRJGGO-UHFFFAOYSA-N	481.508	6.274	10	40	JKCB	
COc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)ccc1/N=N\c1ccc(O)c(C(=O)O)c1	104388938	CAMUDURGYCTTQC-ZCAPXNBXSA-N	456.436	5.177	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)c(Cl)c3)cc2)C1	260735410	HRIJWSUGVKTIEN-LSDHHAIUSA-N	466.876	6.386	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2c(Cc3cccc(F)c3)ccc3ccccc23)C1=O	408872321	CZQDXGGITBBONO-LFVJCYFKSA-N	498.941	6.198	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2F)cc1	408874129	YYHJDAOOAXPZNE-LDADJPATSA-N	469.299	5.390	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1	408902415	NJDGVRKJMBSWCC-CIAFOILYSA-N	495.804	6.796	10	40	JKCB	
CC[C@H](C)Oc1c(I)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC	408903955	BRORNBZLTOLEKY-BGARDKSCSA-N	490.341	5.283	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(F)c1	408943336	RYEIIXLCFVKVBJ-CIAFOILYSA-N	478.907	5.509	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1C	408990272	WQJRAVNPCIVHME-UUYOSTAYSA-N	461.949	5.339	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1	409090645	MUVKSUKUKDOAEE-BCUAHEQISA-N	490.990	5.207	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1	409107839	RGNOOFXNUFPSQW-DEDYPNTBSA-N	463.990	5.196	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12	409215639	CTQZHEQYAOQRIN-ONUIUJJFSA-N	471.516	5.509	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1c1ccc2c(c1)OCO2	409345246	KUJKBDKYUZDXAG-VULFUBBASA-N	497.597	6.553	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1)c1ccc([N+](=O)[O-])cc1	6475287	JFGOGUHCUWAEIJ-SKVJQKLOSA-N	461.521	6.827	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)cc(Cl)c1OCc1ccc(F)cc1	8492193	RHAYINXOLXKMRZ-QKVDKRGOSA-N	486.956	5.486	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	9193047	HALOBWQKXYPKLP-VFHVDCSJSA-N	453.999	5.865	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9273954	UDCRRUXTAZKCJO-HJWIFZRKSA-N	460.390	5.676	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)cc1	16689051	ASHPOSQFPXLVOT-QQXSKIMKSA-N	489.662	6.683	10	40	JKCB	
O=C1/C(=C/c2oc3ccc(Br)cc3c2Cl)SC(=S)N1Cc1ccccc1Cl	16750556	XAFJTSGWJZFLOD-PXNMLYILSA-N	499.238	6.904	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2cccc3ccccc23)cc1	20289142	XWHPVLZMXNBVSH-ITYLOYPMSA-N	490.588	6.595	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccccc1Cl	59136221	IPYSFWIRSZFYSV-FOWTUZBSSA-N	453.926	5.558	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)c1	59198166	TVQURCFZAJAIEE-FYJGNVAPSA-N	478.346	5.672	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)c1	223601235	QKWQESBACRFVKV-WQZUMXOESA-N	459.590	5.470	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	223726556	HHYRYWBZUIKNIH-AHWVRZQESA-N	476.646	5.032	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc2c(c1)OCO2	223862798	VMNDAHVTVACFHL-IZZNHLLZSA-N	484.581	5.101	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(C(=O)O)cc1	225017592	DOXJARQDFHSPJL-BJKOFHAPSA-N	460.603	5.102	10	40	JKCB	
CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1C	225173507	BXMNNFJCKUXBKB-NSOVKSMOSA-N	495.652	6.015	10	40	JKCB	
Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1CCCC1=O	225671212	IJJDGTISOXNOAP-UYAOXDASSA-N	450.652	5.406	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)NCc4ccccc4)cc3)SC2=S)cc1	408576496	UVVVKTYUTZPKKB-HAHDFKILSA-N	474.607	5.096	10	40	JKCB	
CN(C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc2ccccc2c1	408735728	VVBWEPLIBRKYAH-UHFFFAOYSA-N	495.607	8.043	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(C(=O)OC)cccc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	408736462	USRXUFSMHGLUQP-VHSZZVNMSA-N	489.999	6.931	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	408737891	IXNMOXZBFFAFQA-PTGBLXJZSA-N	462.505	6.889	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	408876443	PEIBHZPFQSPXFW-HAHDFKILSA-N	491.385	5.734	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(Cc2cccc(F)c2)c1	408881173	IIPLVHGHUSWXCB-LPYMAVHISA-N	478.907	5.053	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1cccc(C(=O)O)c1	408971879	LJZLHLXOORGKHN-MOSHPQCFSA-N	453.420	5.141	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409009866	ADZOVWWDGCVMQE-HAHDFKILSA-N	478.017	5.620	10	40	JKCB	
COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409063728	BRENVESQTRSSIM-UCQKPKSFSA-N	467.009	6.061	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1	409180795	RRCRTTNFRSQVLP-IQCRLWEOSA-N	497.982	7.602	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(Br)c1OCC	409196621	WXVWEBKXCHUUSN-GZTJUZNOSA-N	481.437	5.202	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)c([N+](=O)[O-])c1	409199721	CXWVGOJPFWEHRR-FYJGNVAPSA-N	465.556	5.635	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccccc3Sc3ccccc3)C(=O)NC2=S)cc1	409245094	NHLFGPPQHILEGS-JWGURIENSA-N	458.608	5.793	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1	409312253	FFJVSVJPAUGSKS-DHDCSXOGSA-N	450.691	5.119	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3c4ccccc4cc4ccccc34)SC2=S)cc1	409327754	MJZALPGMLSSAJJ-HZHRSRAPSA-N	470.575	5.548	10	40	JKCB	
Cc1ccc2ccc([C@H](Nc3ccccc3C(=O)O)c3ccc(Cl)cc3Cl)c(O)c2n1	409330998	DCVVASYRGWWFDB-JOCHJYFZSA-N	453.325	6.455	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409331724	PDYBCSYBQVGCNJ-WOJGMQOQSA-N	481.868	6.355	10	40	JKCB	
O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	409350850	SKOIVPNXWYPQMJ-OMCISZLKSA-N	460.334	5.244	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)cc1	409377293	HPVAXXIQRFQSBP-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
O=C1/C(=C/c2ccccc2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21	1011256	DFUFXPZYHDNGOF-JWGURIENSA-N	474.632	6.107	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1	1785753	QFNPJDHSVYTVCV-RCCKNPSSSA-N	452.645	5.794	10	40	JKCB	
CC(C)c1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1	1795862	NSFATCPZPPDNKI-UHFFFAOYSA-N	483.589	6.995	10	40	JKCB	
Cc1c(C(=O)Oc2ccc(/C=C3\SC(=S)N(CC(C)C)C3=O)cc2)oc2ccccc12	2198640	GKGMEKWLVVRWIW-NDENLUEZSA-N	451.569	5.818	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1	2896928	APHHBUDRKLTGDF-PXLXIMEGSA-N	479.554	5.849	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1Cl	9274013	ZTLJQSFVFZBBPC-HBDRGQTGSA-N	489.988	5.424	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	9293447	IOAGLVRCCNEIOB-SPXSAIPKSA-N	453.999	5.865	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	13129471	WPGXCDBRKTYKQY-UHFFFAOYSA-N	493.485	6.291	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	16805177	DMVNNKZMYVPRGK-VVRYKASASA-N	463.628	5.856	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1	31829167	LSGMKAKMVUYTFW-MRSJDWDVSA-N	489.618	6.185	10	40	JKCB	
O=c1c(-c2ccccc2Cl)coc2c(CN(Cc3ccccc3)Cc3ccccc3)c(O)ccc12	54219551	UIRZBUXIASQPOM-UHFFFAOYSA-N	481.979	7.021	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)c1C	59198168	AVRHUGCVFDXLBR-FYJGNVAPSA-N	492.373	5.980	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)c(Cl)c2)C(O)=NC(=S)N1c1ccc(Br)cc1	59198496	HTNQNHJQDSLUQR-KPKJPENVSA-N	456.148	5.428	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)cc1	83302471	PUVKRKUPUDWEEJ-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCC(=O)c1ccccc1	97990642	SRSVMGMHCBIUJX-MFKUBSTISA-N	472.566	5.656	10	40	JKCB	
O=C1N=C(S)N(Cc2ccccc2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl	103120848	VTZGPPSFOWXOEH-JCMHNJIXSA-N	488.012	5.141	10	40	JKCB	
Cc1cc(/N=N\c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(N)cc1N	104367170	GEDXLLFPTRUMEY-QBNZQOSMSA-N	466.501	7.061	10	40	JKCB	
CCCCCCOc1ccc(Br)cc1/C=C1/SC(Nc2ccc(Cl)cc2)=NC1=O	108936583	FDSBTKCFHYFISJ-XSFVSMFZSA-N	493.854	7.144	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926541	LWONPNRATHTCFS-RPWUZVMVSA-N	453.055	6.079	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	223101012	WFOPEKFJVZDWAV-LOSJGSFVSA-N	499.511	7.101	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223600207	FONPCMPWJIDZMJ-OVBDPADQSA-N	461.631	5.327	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223768112	TWMHKOIQPRJNKX-FTJBHMTQSA-N	469.614	5.378	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c(C)c1	224902987	NSDQQJWXSRTOLJ-PXJZQJOASA-N	498.671	7.039	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1	225503628	FQEVALZBGGECHP-NSOVKSMOSA-N	495.652	5.409	10	40	JKCB	
Cc1ccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	225582153	RKKIPGYGVRPKQC-VSGBNLITSA-N	495.652	5.490	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	408576707	QOHQLUZVZHMSNS-XKZIYDEJSA-N	498.670	5.638	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	408578568	YVKNGSKFVIUWSX-KQWNVCNZSA-N	474.607	5.672	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)N=C2c2ccc(Cl)cc2)cc1	408767353	ZQCKOJJLKCHMSU-HZHRSRAPSA-N	462.933	5.590	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	408772075	KERYTLPYPZMIRT-VCHYOVAHSA-N	472.303	5.206	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)S2)cc1	408779555	YJRUOANEYJDXOL-ARLGEPFESA-N	461.587	5.263	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C)c(C)c4)cc3)C2=O)cc1	408806304	MOEGQPWCBVTMFJ-PCLIKHOPSA-N	454.526	5.111	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	408869704	REGCLQOWUAPMCC-BKUYFWCQSA-N	461.949	5.015	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Cc3ccccc3F)C2=O)cc1	408873156	NTOCWNHXUIIQNN-KGENOOAVSA-N	493.332	5.154	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1	408875786	KVBMFXNRSVSRGU-QRVIBDJDSA-N	477.561	5.525	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)C1=O	408881809	MGTNWIQDVTWIGO-HAHDFKILSA-N	488.971	5.765	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408887640	QAZFYHMECGASFC-OEAKJJBVSA-N	484.552	5.174	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2F)C1=O	408889399	GEFBAVQHFWROPD-ZHZULCJRSA-N	478.907	5.287	10	40	JKCB	
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12	409184729	ZTWXBMPGHFRLNQ-YGPADMCZSA-N	469.544	6.673	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC	409326863	FMNWUOMCPRUQNB-BOPFTXTBSA-N	498.851	6.306	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1Br	409346431	KNZAFNASRKRXOY-UNOMPAQXSA-N	456.386	6.017	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(Br)c3)C2=O)cc1	1184226	XFAJXZAMOLKMQA-LDADJPATSA-N	491.432	5.078	10	40	JKCB	
CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2264566	FYRSNNFWZQQEPS-VCTRWQRLSA-N	465.578	6.206	10	40	JKCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1	2274241	XWUFDKNCXTUQCK-XOASYVKCSA-N	495.673	7.119	10	40	JKCB	
O=S(=O)(O)c1ccc(/N=N/c2ccc(/N=N/c3cccc4ccccc34)c(S(=O)(=O)O)c2)cc1	4411271	PAILURZOPJKWEW-QSZPNPOGSA-N	496.526	6.164	10	40	JKCB	
CCCCN(CCCC)Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O	4522639	QSYRCMJUJQFUQJ-UHFFFAOYSA-N	492.063	7.901	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cc(Cl)ccc1O	8820153	XFGHNKZLEIDNJG-UNOMPAQXSA-N	495.453	6.099	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1	9477509	FZVPGTMFNSBRMC-FIOJILPZSA-N	491.591	6.178	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(C)n1-c1ccc2c(c1)OCO2	9586861	BNECFIAQAQQJPC-UHFFFAOYSA-N	499.495	5.449	10	40	JKCB	
CC(=O)N(c1nc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1c(C)cccc1C	13038119	DPLLXHDFHYTUQR-NDENLUEZSA-N	462.600	5.835	10	40	JKCB	
Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	13940781	RWTMDLIBVUPWMW-XQNSMLJCSA-N	492.578	5.767	10	40	JKCB	
O=C(O)c1cc(N2N=C(C(F)(F)F)/C(=C/c3ccc(Br)cc3)C2=O)ccc1Cl	19418842	DQLWFQMVIVSTOH-QPEQYQDCSA-N	473.632	5.149	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	19798311	KNHMYOVHPJWYJN-JWGURIENSA-N	497.619	5.259	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)ccc1O	20175797	QEJLCMKDZQWVCN-UHFFFAOYSA-N	472.566	5.156	10	40	JKCB	
Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S	20324896	WEUQMALKZHLQJX-UNOMPAQXSA-N	472.056	7.248	10	40	JKCB	
Cc1ccc(OCCOc2cccc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2)cc1	32109521	KMTDKSSOPNJUCO-ULJHMMPZSA-N	456.498	5.268	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[C@H]2C=CC[C@H]21	58846230	VMTKVYWZJXSUNI-ISCCLHIJSA-N	460.599	5.939	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CC[C@H](CC)C2	102185450	VAVYKRZJAZHPON-AVQZXHFCSA-N	459.608	5.071	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(F)cc1	113831150	GXNJOONNVDWUTR-WSDLNYQXSA-N	496.541	5.727	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1	208719591	BIGDDMDOVNXPLS-ODLFYWEKSA-N	483.483	5.177	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222878924	BGICOTZBAJVHQJ-FGZHOGPDSA-N	459.446	6.178	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223898085	WEXTWCBOAKAGQD-WUFINQPMSA-N	497.668	5.741	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1	224013615	ZPZJWQSHNPZFBO-UIOOFZCWSA-N	486.572	5.534	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(=O)O)c1	224605440	HKXOCOKTVGYSCK-LOSJGSFVSA-N	484.581	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(Cl)ccc1O	225010537	SGTCFJBNZUSVSH-RPWUZVMVSA-N	467.038	5.763	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1	225015911	RYURWFMRAXRRFJ-ZEQRLZLVSA-N	451.039	6.058	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1	408534036	SCICSOKMHLRGEI-CIAFOILYSA-N	488.486	7.859	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)O)o1	408634458	UWHLBFJMLIEUAV-UDWIEESQSA-N	471.966	5.525	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)c1	408799950	LYLUOANVHGQDPH-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OCc3cccc(Cl)c3)C2=O)cc1	408805034	CLLKJWCNPTZPSZ-OEAKJJBVSA-N	490.943	5.156	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)S1	408809251	NQBJHPVXEGEVEA-UHFFFAOYSA-N	471.433	6.781	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)cc1	408874451	BTQWTILMWHTFRO-RCCKNPSSSA-N	475.342	5.015	10	40	JKCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408883308	QOUXTNUEZOXUNM-VXLYETTFSA-N	496.306	5.159	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2sc3ccccc3c2Cl)cc1	408993605	WJTNFHIDXZIGRW-XMHGGMMESA-N	464.999	6.849	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	409048184	QZQMJFWEGPOHIH-UKTHLTGXSA-N	453.709	5.102	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409061907	JXEYNXRZZFLHCJ-IMRQLAEWSA-N	472.629	6.274	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S	409139320	AFCCSUWWKGQYFV-STZFKDTASA-N	473.019	5.221	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)SC1=S	409148920	ULRRJCIUSZMLQE-WQRHYEAKSA-N	465.438	5.013	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl	409211741	OKIGLNURCRUSBF-BKUYFWCQSA-N	483.998	6.178	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)c(C)c1	409218611	WEWDJMNILKVUME-NDENLUEZSA-N	459.514	6.988	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)o1	409327352	JFQYTTAQPZCRIJ-OEAKJJBVSA-N	471.559	6.512	10	40	JKCB	
COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1	8820131	YEZRMRZSCJRDLS-ZHZULCJRSA-N	475.035	5.749	10	40	JKCB	
CCOc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1	20288289	WOGOVNUGDHGKAS-QJOMJCCJSA-N	454.555	5.832	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc(OC)c1OC	35040697	QMDCGQMCZXWAQP-CAPFRKAQSA-N	495.663	5.509	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)c(OC)c1	58849241	ZXGXQIWQQGRWKN-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1c(OS(=O)(=O)c1ccccc1)cc1sc3ccccc3c21	66089240	ZMCQXFAKASHLGY-UHFFFAOYSA-N	470.527	5.598	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223567985	QROUQFHHOPBNEY-RIWZNOJBSA-N	451.998	5.934	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224233806	HAAVSUIQSIDPHT-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1	408813312	QAUKHGKXGBVILQ-LDADJPATSA-N	467.308	5.239	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC	408867367	IKIPKCBEFZRWRV-UHFFFAOYSA-N	476.916	5.331	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)c(C)c1	409140242	QEXUKCMPBWFMHI-GZTJUZNOSA-N	471.365	5.702	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC(=S)N1c1cccc2ccccc12	409199913	FQBAGKAKFDDVOW-HMAPJEAMSA-N	481.520	7.524	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCC(=O)O	409339968	NPSGUDMZNWFMTH-BKUYFWCQSA-N	465.552	5.108	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Br)cc1	1181352	AQEFVLYKHPOBAZ-SFQUDFHCSA-N	495.851	5.723	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5cccc(Cl)c5)CC4)=NC3=O)o2)cc1	2690971	LOECWHLGONMVAF-XQNSMLJCSA-N	463.990	5.701	10	40	JKCB	
Cc1ccc2nc(-c3ccc(-n4c(C)ccc4C)cc3)cc(C(=O)OCC(=O)c3ccc(F)cc3)c2c1	4121883	DLTGALZCLDMNGP-UHFFFAOYSA-N	492.550	6.797	10	40	JKCB	
CCCCN(CCCCCCCCCCN(CCCC)c1ccc(OC)cc1)c1ccc(OC)cc1	4366759	OZSUIHPUZNZOJZ-UHFFFAOYSA-N	496.780	8.738	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1C	9233027	YIILTVDPHNEJIJ-OEAKJJBVSA-N	476.579	6.196	10	40	JKCB	
Cc1ccc(C)c(OCCn2c(C)c(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)c1	9730806	ULGIWKUYUATIHC-ZFLZBDSRSA-N	499.640	5.921	10	40	JKCB	
Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C2=O)cc1	9763810	GLUDBBVYTKIDCB-XKZIYDEJSA-N	464.363	5.258	10	40	JKCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	12274992	OZKOBACOVUYXAX-FSEGOYHTSA-N	470.399	5.954	10	40	JKCB	
Cc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c23)c(C)c1	19794036	IRPQXUKMOKFSQE-UHFFFAOYSA-N	483.612	5.634	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)cc1	59135368	XEGJILCQALQIIQ-LFVJCYFKSA-N	474.536	5.586	10	40	JKCB	
COc1cc(/N=N\c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(OC)cc1/N=N\c1ccc(N)nc1N	104229745	GUAWFFBKFCAZJW-FNBANUKLSA-N	491.295	6.309	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208447712	DOIQMRFHAXNFIT-ODLFYWEKSA-N	458.414	6.708	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccc1Br	222615402	VJTKDLHFURSKNM-RXYZOABWSA-N	467.436	5.841	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223494532	VCWCRUUOFFCMPL-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223796990	AQGGLMSKDGAWFD-KAYWLYCHSA-N	486.616	6.204	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224253730	QVHRHCQQIJWOGY-SVBPBHIXSA-N	496.636	5.761	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	224568449	RKZDCMATVGBFKC-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1	225669019	FVRXUGGZVADOIP-CABCVRRESA-N	455.977	6.643	10	40	JKCB	
COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(C)C	225743685	GBSRJCFIYWROJY-UHFFFAOYSA-N	457.979	5.812	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1	408528586	GQUJCUNFHVYROD-QNGOZBTKSA-N	462.621	5.692	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O	408896624	SNNPDZGNOWZLRF-HKWRFOASSA-N	460.917	5.148	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O	408936009	JNFHXWPHIDTFOO-MOSHPQCFSA-N	481.335	5.547	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl	408938311	QAGGLUARGNVLRS-PXLXIMEGSA-N	474.944	5.760	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409023511	GFZZRGUCFBZWNV-XGDNCFSYSA-N	453.538	5.699	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409074602	VRAWBTFEWHIWJU-QQXSKIMKSA-N	472.560	6.117	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)c(C)c1	409184730	ZXEIZILUFKJDHQ-UUYOSTAYSA-N	490.537	5.245	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)c2C)c2ccccc21	409205778	JYWVFJSITIUYKM-KOEQRZSOSA-N	484.600	6.654	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC1=S	409207699	XSIJCYHXHXMFPG-RGVLZGJSSA-N	496.526	5.251	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C(=O)NC2=S)cc1	409230819	FYLGFYFTGPQJKK-XDHOZWIPSA-N	494.956	5.253	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1Cl	409233855	UDNXLFIXCJQWJS-GZTJUZNOSA-N	489.405	5.877	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1	409233909	IMFBZGGANQRQCE-DEDYPNTBSA-N	450.947	5.555	10	40	JKCB	
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(Cl)cc3)N2[C@H]1c1ccc(N(C)C)cc1	409337877	YORUPPVMXDNOQX-QFIPXVFZSA-N	453.995	5.701	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCc1ccncc1	409341980	COIPMSZXIQJVIN-XYGWBWBKSA-N	484.602	6.228	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1	667139	CYMYPNYQIDXAOE-CIAFOILYSA-N	481.335	5.547	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	1068803	NURASWRJEGEDBY-WZOHSFFVSA-N	476.554	5.021	10	40	JKCB	
CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2361870	WBYHHIXWVPLYJG-GVYVVWIYSA-N	479.605	6.596	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	8744472	ASIGJLIWVBVUQX-LOYIFYEOSA-N	498.535	6.207	10	40	JKCB	
Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21	8809462	XPBWURPOHQGIJK-JYFHCDHNSA-N	495.793	7.748	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@H](C)c1ccccc1	8919120	ZUIQVQWIEXQRDW-GDAZSKNVSA-N	474.464	5.017	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)c2C)cc1	9291497	RSECTZSWSHIQLA-YNRWKYOSSA-N	499.596	5.109	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	9291667	LVNQPEZSYVSNIE-UOIDATNWSA-N	455.971	5.031	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	12274910	BFXVZRRFJTZSKU-CIAFOILYSA-N	464.524	5.772	10	40	JKCB	
CN1/C(=C\C=C\C2=[N+](C)c3ccc(-c4nc5ccccc5s4)cc3C2(C)C)C(C)(C)c2ccccc21	12524065	RKEKMEOKCKGYAP-UHFFFAOYSA-N	490.696	7.837	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	35078022	QXHJQBLRKOYXPX-DSITVLBTSA-N	496.994	5.784	10	40	JKCB	
CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(c4ccc(OC)cc4)CC3)c2c1	36370354	APFXNMQMMXGKHL-UHFFFAOYSA-N	497.595	5.208	10	40	JKCB	
N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)C(=O)N=C2SC=CN12	41074314	XDNXERVJXLIZAT-FZAWDKCWSA-N	476.359	5.079	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58847805	UBLWPEKQVGKJGQ-YZUZCNPQSA-N	471.409	6.621	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4Br)c3C)N21	222698077	UQHKGMCHTBGOIH-PDIWNELESA-N	481.463	6.231	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(N(C)C)cc1	223100242	SHQQMWRWWNTODQ-RRPNLBNLSA-N	473.690	5.860	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cc(Cl)ccc1O	223454144	ZHWYNQXRGAVHAV-JWQCQUIFSA-N	490.032	5.416	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C(=O)NC1=S	260567327	KJQNOCWFIGFOIQ-SYVPYPDPSA-N	489.685	5.889	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(Br)c2)cc1	408764814	NIBNPHNRENICIR-FYJGNVAPSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(C)c1	408803843	AYKGEQOJVUJYBW-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)c(C)c3)C2=O)c(C)c1	408811953	MGMWJZYWWZBHLK-HZHRSRAPSA-N	454.526	5.166	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)C2=O)c(C)c1	408813430	UHOMWWTWQDHDJP-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)C1=O	408869913	SUSBOMBLLQFCGR-STZFKDTASA-N	478.907	5.287	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1	409043108	ZMOUSOLPBIGEKP-RIYZIHGNSA-N	476.357	5.455	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409135745	QLPGLHIYNLAWDN-NHDPSOOVSA-N	463.430	7.018	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1Cc1ccccc1	409218313	TYMZLBYYTKVFCR-OGLMXYFKSA-N	490.653	7.244	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)SC2=S)cc1	409326583	CJLBWBCHFZTEDS-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC	409340584	ZQXOXBQZZLEFEK-YBEGLDIGSA-N	495.376	5.170	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cc([N+](=O)[O-])ccc5C)c4C)C(=O)N=C3S2)c1	1869141	NAUNAFYKOAMGIO-PHNMUWTHSA-N	498.568	5.287	10	40	JKCB	
CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccc2ccccc2c1)c1c(O)ccc2ccccc12	3032942	QFBHUXCMBORVDD-MHZLTWQESA-N	463.514	7.852	10	40	JKCB	
Cc1ccc(Nc2cccc3c2C(=O)c2c(Nc4ccc(C)cc4[N+](=O)[O-])cccc2C3=O)cc1	8396887	YQGSOCJMHOWDGT-UHFFFAOYSA-N	463.493	6.474	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)cc2C)cc1	8870379	YHDLIVFKAHELQI-UHFFFAOYSA-N	458.586	5.271	10	40	JKCB	
COc1ccccc1/C=C1\N=C(c2ccccc2)N(c2nc3cc(Cl)c(F)cc3s2)C1=O	8955271	XHPCHJGWSLRNAA-ODLFYWEKSA-N	463.921	5.932	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1	9232592	CTVBSGKWGQLLQL-UDWIEESQSA-N	485.974	5.980	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)c([N+](=O)[O-])c1	9296597	YYELYRLDEXFWPO-YBFXNURJSA-N	483.483	5.177	10	40	JKCB	
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)/C=C/c2cc(C)n(-c3ccccc3)c2C)cc1	12523533	WSVBCMOCNWHCBB-FOCLMDBBSA-N	467.569	5.289	10	40	JKCB	
CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)Nc1ccc(N2CCCC2)cc1	13562330	ITXMYZHGSMDEBF-UHFFFAOYSA-N	469.054	6.191	10	40	JKCB	
COc1cc(/C=C2\C(=O)NN(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(Cl)cc1	15276547	IBWQMCLALIBJNS-RGVLZGJSSA-N	469.324	5.042	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)C(C)(c4ccccc4)c4ccccc4)ccc3o2)cc1	16678551	ICSWIJXBJMJDFA-UHFFFAOYSA-N	489.619	7.286	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl	23402429	HNZNLUSQZJLAJZ-ATVHPVEESA-N	473.743	5.687	10	40	JKCB	
O=C(NC1=CC=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]12)c1cc(-c2ccccc2Cl)nc2ccccc12	26780145	RMLONFKGBLFJLP-JIPXPUAJSA-N	490.946	6.050	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2	58845757	CVCRSLAOOMPRIV-BPYKYCOYSA-N	461.543	5.531	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc2[C@H]2C=CC[C@H]21	58849990	LWZXCFQJFVXAOA-DFIYOIEZSA-N	477.542	5.231	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	59182189	UVRKESCBMDZTHA-FYJGNVAPSA-N	492.582	5.250	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccccc1Cl	59474884	JYJJYXPEYQQVKX-XIEYBQDHSA-N	494.978	6.762	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1C	208219467	RSBVYABNYCXRIE-VLZFXTDASA-N	477.630	5.700	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208226986	UGUYLZSAQFGREV-BDQMVGTNSA-N	498.048	6.045	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc(Cl)cc1	208662888	PELWSYRFUKCYHT-WQRHYEAKSA-N	465.905	7.025	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223759187	OHNSCONHDQLKKU-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864256	LNHFXBGPQOFSBS-IZZNHLLZSA-N	498.608	5.378	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(F)cc1	223895741	KSWWATJHSXRUAB-RRPNLBNLSA-N	485.632	5.871	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224303127	HQAJCKXWXJHACX-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c1	224436211	GZIITSFHGNVATG-KAYWLYCHSA-N	470.617	6.422	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1O	224604423	LAKJZLQKCPKSBG-DQEYMECFSA-N	456.571	5.077	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O	408882150	QDJSIQKRMDLNCB-QGOAFFKASA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Cl)cc1	408902984	TVOUWXHHSRYEHR-FYJGNVAPSA-N	486.445	7.287	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409023182	XKPUPKFIMJBSGS-JTOYMXJDSA-N	483.564	5.708	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Sc2ccc(Cl)cc2)C1=O	409239034	FOGMIKWRCRPAEB-CYVLTUHYSA-N	478.957	5.556	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S	409378597	QHFSCAPFUKJRPZ-SOFYXZRVSA-N	464.351	5.514	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)SC2=S)c1	2283963	WUWPLNLIXNYUMY-UNOMPAQXSA-N	456.386	6.423	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc2ccccc12	2305358	VQLFGNUHUNVSNA-ZHZULCJRSA-N	452.988	5.723	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c1	8821295	KUNFPJFHHZXNBE-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1OC	9188825	DAGLSWXITRDDGM-KQWNVCNZSA-N	463.580	6.292	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccccc1F	9235869	KAWFBMPHJNBJQW-ZCODJQKYSA-N	461.497	5.040	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	9239557	VBDMORNVXNONSF-BUVRLJJBSA-N	479.598	6.205	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9273536	ORGGMJGXFNOLRU-AEDFNUKKSA-N	494.407	6.068	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	9293164	MCEOKZQSOHRDST-XTOVRFJNSA-N	453.571	5.324	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1	9293377	IDZWCROXWWNXQL-ZJRBDENDSA-N	461.635	6.301	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	9380723	AWGSQHPFBFJFMK-CZJMETBBSA-N	487.599	6.546	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S	16750570	UMHMTKINXJXXSP-VBYYMIJXSA-N	478.820	6.811	10	40	JKCB	
Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(OC(F)(F)F)cc2)C4)cc1	20934034	UENFHBPOJYLHPL-UHFFFAOYSA-N	453.416	6.024	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	33389290	DGXFUGXYDRWHBX-XMJDPUGWSA-N	488.444	6.456	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1	33499765	OIXQGXOTQIZNTK-PKAZHMFMSA-N	464.590	7.118	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)sc2c1CCCCCCC2	102651069	LJIWTCOZEBXBSZ-ZCLUNYJNSA-N	473.635	5.606	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c1	106683968	NQSPARUZMAVCGC-GRSHGNNSSA-N	474.321	6.188	10	40	JKCB	
CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2c(c1)nc(Cl)n2CC	222564615	VNLMWINFDRUIBV-UHFFFAOYSA-N	463.025	6.560	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	222968437	MCELQAWAKJGLTD-XZOQPEGZSA-N	473.473	6.569	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313162	CHLXRZPYEXQHPC-CVJWPJSTSA-N	460.647	5.257	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)c1	223558232	XGGJGDJHOOBALW-TTXZLZEXSA-N	475.589	5.252	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N(C)C)cc1	223860899	OZJHSWLGXILRRV-SVBPBHIXSA-N	483.641	5.438	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc2ccccc12	224162632	WZIUZNBXOGXJKC-WDYNHAJCSA-N	474.633	6.819	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172069	LHHIFUSYASJWHO-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224237125	OWFCXQZCORVUQW-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224302730	YBPQMPXHBOEFQC-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1cccc(C(=O)O)c1	408634080	ORTZIIHFSXVCIG-NDENLUEZSA-N	494.960	5.449	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1	408738456	XNPOSPOBQYJGJD-PTGBLXJZSA-N	496.404	7.743	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1	408772916	NGIVQKGICDZKEI-LGUFXXKBSA-N	491.616	5.846	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1O[C@@H](C)CC	409036953	CBHQESAVRPCYDS-LUHPIMIVSA-N	468.422	5.764	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	409040758	ULQXPDKQGUHVCE-GXDHUFHOSA-N	480.393	5.087	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409053522	KQAFMVZPDJQOHY-STZFKDTASA-N	481.379	6.278	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c(C)c1	409201311	LILPMXWYPCUABO-MTJSOVHGSA-N	450.541	6.186	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	409329884	IIQAMLURSNJRBP-MXAYSNPKSA-N	475.679	6.564	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl	409334154	VQINHKKOYYLZBJ-ODLFYWEKSA-N	490.389	6.446	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C	3322464	SGHHMSFRLUILGY-CQSZACIVSA-N	495.790	6.247	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	6057143	KGZGQCMXVIVEIS-UFPGJGBJSA-N	474.582	5.409	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2S1	8817215	WGSFULMQLOFSAC-ZJRBDENDSA-N	487.585	5.148	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(O)=NC1=S	9933816	TWLUTQMZRBJCEV-FOWTUZBSSA-N	470.959	5.764	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cc(C)ccc3C)C2=O)cc1Br	33155008	UCXPCRQYYRGDBX-KGENOOAVSA-N	460.371	6.546	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c1C	41076654	ZZLXZBCACZJOQF-JJYAYZJSSA-N	499.665	6.221	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58848986	FPBFDZIAATVRCT-WZOHSFFVSA-N	477.542	5.231	10	40	JKCB	
COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3ccc(N(C)C)cc3)C2)c(OC)c1	95945180	RNZRZPHMKJTKIG-HXUWFJFHSA-N	498.377	5.117	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	100208306	FEFVFUOCJYTBDD-QRVIBDJDSA-N	496.991	5.076	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1	100216296	CFXRKJQKMZYHQS-QJOMJCCJSA-N	482.565	5.610	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cc(Cl)ccc2Cl)cc1	103922361	FUSYLTKLIFHNIH-HMAPJEAMSA-N	470.331	6.278	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(Cc5ccc(Cl)cc5)c4s3)CC2)cc1	104673892	VDXNFMFITKDSJW-UHFFFAOYSA-N	481.021	5.079	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c(C)c1	223389916	JXTGPUXNPITUEY-PXJZQJOASA-N	480.681	6.587	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1	224166300	RHSKTHMFXSKURA-DQEYMECFSA-N	459.018	6.320	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224170005	FMDCELYAAYCLAU-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224336990	XNKWSDBLWXKMLZ-SVBPBHIXSA-N	468.626	5.934	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc2ccccc12	224430491	FADKIHDTECBTGL-VMPREFPWSA-N	492.623	6.959	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1	408965137	GYZVBMMBHNBPHJ-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1ccc(Cl)c(Cl)c1	408986675	SIWODVMGVDJWSD-MHWRWJLKSA-N	461.175	7.772	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)c2ccccc21	409194336	ATHHBXHOIDSBJM-XQNSMLJCSA-N	471.398	6.917	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1	409243638	XGRWMIKHJCXCHI-UNOMPAQXSA-N	468.376	5.488	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1	409327987	OTOSCOPLZSBZJF-HKOYGPOVSA-N	476.623	5.616	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc2n1Cc1ccccc1Cl	409350542	YMDOBIDUPBAEHC-BUVRLJJBSA-N	481.086	7.185	10	40	JKCB	
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1O	1505840668	NPINALXDLKQUAM-ODLFYWEKSA-N	494.395	5.730	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	6144592	LQJTURQEFGILOO-FHAGJXEFSA-N	459.929	6.172	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1cccc(Cl)c1	8828415	HJOOPFYNKQDHHW-WQRHYEAKSA-N	485.930	5.054	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)o1	8927292	UGKWIQJWLAWJJE-BOPFTXTBSA-N	483.889	5.188	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)SC(=S)N1c1ccccc1	9553965	LXESLRKKSWPMAT-PCLIKHOPSA-N	488.033	7.478	10	40	JKCB	
O=C1/C(=C\c2ccccc2Cl)SC(=S)N1CCCC(=O)N1CCCc2ccccc21	12377617	SOCQEYUAMRSTGL-HMMYKYKNSA-N	457.020	5.301	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccccc1O	13800518	MCIGMXSILOXEAD-NBVRZTHBSA-N	474.343	7.430	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1c1ccc([N+](=O)[O-])cc1	16401823	WTBFXOLFLDZKSU-ODLFYWEKSA-N	495.850	5.473	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)cc1	16678553	YXZMDLCGIZEZOW-UHFFFAOYSA-N	475.592	7.112	10	40	JKCB	
Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(-n2c(C)c(C)c3ccccc32)c(O)c1C	16807683	CHODVZYXGMNXCM-UHFFFAOYSA-N	465.531	5.279	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccccc2OC)cc1	20288442	XCSXXNJFCSLLRB-ULJHMMPZSA-N	484.581	5.128	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1	33153891	RRGFDEBCVYUIBE-GUOILJMFSA-N	472.482	5.168	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2cccc(Br)c2)C(=S)N=C1O	33739803	GWZCJIIPMILQTF-LICLKQGHSA-N	488.382	5.168	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1	41083534	GNKZONCODQCWNN-YKIDYSRNSA-N	451.621	5.547	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cccn4-c4ccc(C)c(C)c4)C(=O)N=C3S2)c1	41108412	BBWSAQCNPZXGRL-NEAWXCLQSA-N	469.570	5.101	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58847163	GLRGMMMUDNGERY-WZOHSFFVSA-N	464.518	5.182	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847889	AKZFTRGDDBUROZ-ATLLOTDBSA-N	468.981	6.415	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1F	59135219	FPJZUYKHQPBTGS-VCHYOVAHSA-N	498.869	5.713	10	40	JKCB	
CCOc1ccc(OCCOc2ccc(C3Nc4cccc5cccc(c45)N3)cc2OCC)cc1	70453900	WGMMAMMEWXDBOU-UHFFFAOYSA-N	470.569	6.631	10	40	JKCB	
CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1	72422408	UFOMMICUXBCREG-UHFFFAOYSA-N	479.599	5.839	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(CC)C(C)(C)C[C@H]4C)C2=O)cc1	208328202	KQCALJHNZJUQCI-MMTNMYCKSA-N	475.589	5.172	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1C	223349589	XJLKNHHNESSXJV-CLJLJLNGSA-N	456.615	5.872	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223767407	VSPZWFGSUATLFC-LMSSTIIKSA-N	496.680	6.546	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224238783	PAZBGOMTTSRGLI-IXCJQBJRSA-N	466.654	6.592	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1	224450185	SLUGHEUMALBUDD-RPBOFIJWSA-N	458.562	5.506	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c(C)c1	224902942	NSDQQJWXSRTOLJ-XRKRLSELSA-N	498.671	7.039	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(OC)c1	408635043	XDXXCSLQUVQZFM-UNOMPAQXSA-N	459.955	5.463	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408753886	ONQCBYQIOAJPPB-XQNSMLJCSA-N	482.967	7.682	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1OC	408755343	UFJFCRFSXXWQMA-GZTJUZNOSA-N	496.346	6.180	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408782116	VXFDAUFKCPVZMS-HMAPJEAMSA-N	495.406	6.668	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)S1	408813779	VBTUKLWRVKFDPO-UHFFFAOYSA-N	457.406	6.472	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3ccccc3Br)cc2)C1=O	408885095	XGXLOWZEQLKOND-PGMHBOJBSA-N	489.369	5.269	10	40	JKCB	
O=C(Nc1cccnc1)c1c(NS(=O)(=O)c2cccc3cccc(Cl)c23)sc2c1CCCC2	409115451	JEIFSHNDFHBBBU-UHFFFAOYSA-N	498.029	5.882	10	40	JKCB	
O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)c1	1315621	AMWULRNJUSBAKF-UHFFFAOYSA-N	461.465	5.371	10	40	JKCB	
Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	2149740	IKXVZJBBFPMPGU-KGENOOAVSA-N	483.351	5.221	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1	2225131	HGOUWMFUAQVPIB-ACOHOHFLSA-N	488.635	6.183	10	40	JKCB	
CCOC(=O)[C@H]1CCCN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)C1	2304095	PVFZHCFDACYYOA-KRWDZBQOSA-N	467.525	5.562	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1	2323164	VWCVVCMVSCCSAW-UHFFFAOYSA-N	495.579	5.982	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c(C)n1-c1ccc(F)cc1	3306245	WXWONNAYELJGSK-UHFFFAOYSA-N	455.485	6.101	10	40	JKCB	
COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)c4cc(C)n(-c5ccc(F)cc5)c4C)C3=O)ccc2c1	3456530	IDXCSZAPIYCRQA-LJAQVGFWSA-N	499.542	5.045	10	40	JKCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc12	4290119	XTZCGELSAIFNCH-IBGZPJMESA-N	497.513	7.227	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9311764	SBXBVLRAMCOCCP-KEBDBYFISA-N	476.454	6.357	10	40	JKCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@H]21	9763782	HJWIDERNYPGKRI-CKFHNAJUSA-N	461.312	5.210	10	40	JKCB	
S=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	20101021	GXXXWSUZYCYYQB-UHFFFAOYSA-N	473.041	6.683	10	40	JKCB	
CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	22419194	ZQPWAACKRIEMAT-AREMUKBSSA-N	458.606	5.072	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(Br)cc3)C2=O)cc1OC	39132423	DVHCIEICWMRNDV-XSFVSMFZSA-N	493.357	5.309	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1	41108554	BRJWCTYDTFNERJ-XKZIYDEJSA-N	496.997	6.229	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3Cl)C2=O)cc1	83318121	GRMCCPLMFKBVCO-DEDYPNTBSA-N	481.335	6.388	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1	112298269	HWNFGUFVEYSVRR-QNGOZBTKSA-N	471.051	6.108	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1C1CCCCC1	113834735	WNEPCQLEWXLPEO-KOEQRZSOSA-N	459.636	6.953	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c([N+](=O)[O-])c1	222926340	UWKMOMOOUQCPCB-BJKOFHAPSA-N	479.606	5.034	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(O)cc1	223859478	OCGZAJKTKNTSDJ-DQEYMECFSA-N	456.571	5.077	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223865418	YJGKFECRLBQCOE-RPWUZVMVSA-N	455.587	5.075	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223903358	BUNXXMWLDLSTDI-FTJBHMTQSA-N	482.657	5.436	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431893	XBQKFRFGYQQKCX-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)cc1	224566003	HMLBAYODLXMCTQ-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	224571644	FMCBYEGYIRTMGQ-PXJZQJOASA-N	496.680	6.600	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c1	224837818	AHJTYYWIDXDJBQ-VSGBNLITSA-N	498.652	5.992	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225349336	XZAAEINGCMWKBA-SVBPBHIXSA-N	497.668	6.157	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCCC2)cc1	225664281	JSOSKTOYSJPIGM-NRFANRHFSA-N	461.700	7.017	10	40	JKCB	
CN(C)c1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1Br	408633219	JAWYXOYANGUZCH-YBEGLDIGSA-N	479.787	5.171	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C)c(C)c1	408801050	SJJFGXFUTWKIFC-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408805385	AQVWRFHUZROKJX-BUVRLJJBSA-N	498.579	5.564	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(C)C)cc4)C3=O)o2)cc1	408987830	YVFOPGCRVIISSZ-LGUFXXKBSA-N	489.571	7.328	10	40	JKCB	
Cc1cc(C)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c(C)c1	408990868	OPNVNQBHRZVDBZ-HZHRSRAPSA-N	456.567	5.022	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1cccc(F)c1	409030511	DQNCNBKGJLJPAT-JAIQZWGSSA-N	480.026	6.314	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S	409096747	KXXBHSSEEJSUIP-DJKKODMXSA-N	491.421	5.672	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)c1C	409097758	NLHHUOCGXYXTAE-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccccc1Cl	409131218	MLBVRXLMJKBKBX-HAHDFKILSA-N	492.984	5.718	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	409159023	PUFWMOKZQNOGMD-IMWIBFENSA-N	498.367	7.141	10	40	JKCB	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(=O)O)c3ccc(Cl)cc3Cl)c(O)c2n1	409331002	DCVVASYRGWWFDB-QFIPXVFZSA-N	453.325	6.455	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc34)SC2=S)cc1	409335224	ZMXSBIDMDJBJOI-IMRQLAEWSA-N	497.641	7.223	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccccc3Cl)c(OC)c2)SC1=S	2878535	UNWBTDBJGFMUEG-ZHZULCJRSA-N	464.008	5.418	10	40	JKCB	
COC(=O)[C@H]1[C@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	8917800	HUUXVQGWQGTKNB-GMQQYTKMSA-N	477.560	5.416	10	40	JKCB	biogenic
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21	9291686	GSCQKADTMXHBEK-KKUQBAQOSA-N	497.541	6.013	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br	16688054	OEMJUSQTDPQPDU-GDNBJRDFSA-N	499.249	6.016	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C)cc2C)C1=O	16739195	JFKLDUFDMRNJLD-LKGVNHGVSA-N	450.629	5.870	10	40	JKCB	
C(=C/c1ccc2ccccc2n1)\c1cccc(/N=N/c2cccc(/C=C/c3ccc4ccccc4n3)c2)c1	25694558	XXBPDRMDRLZLPL-KTFKLYGASA-N	488.594	9.539	10	40	JKCB	
O=C1/C(=C/c2cccs2)SC(=S)N1CC(=O)N1c2ccccc2Sc2ccccc21	28464629	XQWYAOWCDMKHLR-UNOMPAQXSA-N	466.634	5.779	10	40	JKCB	
Cc1ccccc1OCCOc1cccc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1	33474784	SMPDQYFAHVWMCL-BJDNMCPZSA-N	481.577	5.757	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1C	33482596	GGNGRMOBDQQNQA-NMHFRFNZSA-N	471.561	5.518	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847828	BEFVCCAIKZAYRM-YZUZCNPQSA-N	489.399	6.760	10	40	JKCB	
COc1ccccc1/N=N/[C@@H]1C(=O)N(c2nc(-c3ccc(Br)cc3)cs2)N=C1C	100525176	KKKBUWYNHKPHSO-FTGFMQHASA-N	470.352	5.456	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2[C@H](C)CC1(C)C	208324047	BNUMRVZOBOCVRB-SUVVMJBMSA-N	479.602	6.252	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222994703	AKAPBLQDFATEIU-FGZHOGPDSA-N	474.552	5.127	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223102015	NDCVPGHDYFGWBY-SVBPBHIXSA-N	458.675	6.411	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(=O)O	223860008	PTPRYTRCYIDKCD-JWQCQUIFSA-N	484.581	5.070	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1C	224273964	OANBGOPTKOUZKF-CLJLJLNGSA-N	467.642	5.987	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408550703	JFIFIQGFIMOOPO-PXLXIMEGSA-N	465.619	5.050	10	40	JKCB	
COc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	408577845	UTPAFQDUOGDTDA-UCQKPKSFSA-N	490.606	5.114	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	408741201	KOOWBWKHKKQNSA-GDNBJRDFSA-N	477.756	5.738	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1	408752638	IWWNSDXUHHAVGJ-CPNJWEJPSA-N	450.897	6.667	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc2ccccc12	408803527	QCQUABKOULQWHZ-PCLIKHOPSA-N	492.531	5.402	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cccc(F)c4)c(Cl)c3)C2=O)cc1Cl	408877618	WGQBDBJZDNTFGZ-RGVLZGJSSA-N	483.326	5.698	10	40	JKCB	
O=C(O)c1cccc(COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2Cl)c1	408901263	CSLGXLQAJCPZJT-FYJGNVAPSA-N	481.982	6.023	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1	408934725	BPUIGMBXLSQIBX-FYJGNVAPSA-N	481.777	6.488	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408966914	OYUAWMPPVMCIMA-NTEUORMPSA-N	495.746	5.877	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(Br)cc1OCc1ccccc1	409038026	OIJXNNISWLQZGR-JMIUGGIZSA-N	492.460	5.894	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	409147459	XZSYCVSQUHZVNX-RUZDIDTESA-N	495.641	5.818	10	40	JKCB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)sc2c1CCCC2	409197331	BUNSFOIFOBDLRI-RCCKNPSSSA-N	460.599	5.728	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C	409332216	QKQZEKISSXZQBL-CIAFOILYSA-N	450.541	5.873	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCC)SC2=S)cc1	409334827	XTMKOYLGYGBAIP-LDADJPATSA-N	464.406	5.652	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)c(O)c(Cl)cc2c2c1CCCC2	526052630	XZXGUROTISUQQY-JHCMIULPSA-N	495.063	5.426	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br	2119622	OEMJUSQTDPQPDU-XNTDXEJSSA-N	499.249	6.016	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1	2165261	WUPVMUZEMDZDDV-NDENLUEZSA-N	487.806	6.751	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2453522	XHKPDCUZMCTPBC-NXCFDTQHSA-N	496.006	6.389	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	8819752	FNIPTHQVGLJVGJ-JWGURIENSA-N	452.645	6.012	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1OC	8821418	XUUSLOVZZOEVJJ-HYARGMPZSA-N	486.014	6.061	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	9232265	IHAWMSDENRUZHX-CXUHLZMHSA-N	454.798	5.907	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)c(C)n1-c1ccc2c(c1)OCO2	9285595	RGAJXGPDHJCVSW-UHFFFAOYSA-N	497.960	5.413	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)cc1C	10112130	RXTMGIIZMDWBCK-UHFFFAOYSA-N	491.657	5.333	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccccc1	26580615	MHGKTNXSOJRQAL-CJLVFECKSA-N	492.959	5.048	10	40	JKCB	
Cc1nc2c(c(-c3ccccc3N=O)c1C(=O)O[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C(=O)c1ccccc1-2	35080476	QCFQLASOCIGVFK-WKDUQFBDSA-N	480.564	7.038	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	41084881	NECSTWIMKPYFTO-FSWFDUBRSA-N	494.064	6.727	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccccc1F	59135917	VDFFELYSJYEADH-QGOAFFKASA-N	494.519	5.614	10	40	JKCB	
Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3c(O)ccc4ccccc34)C2)c(O)c2ccccc21	104827567	PCFKBIHZBXCDRY-JOCHJYFZSA-N	461.521	5.781	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)o1	113835657	SPXWVXBACWTINI-UDWIEESQSA-N	452.513	5.578	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223975779	NRAQXEYLHZKBSN-KAYWLYCHSA-N	497.624	5.330	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398371	MMEWNGVJQLJBRG-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
C[C@]12CCCC[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)CSc1ncc(-c2ccccc2)s1	253499700	RUPJLEKJZUBHKS-IZSLREAUSA-N	481.771	8.066	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)c(OC)c1	408759549	GWBJLVMVXZWGSS-CIAFOILYSA-N	481.321	5.440	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccc(Br)cc2)C1=O	408765944	RZUGRYUYIJPHKR-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1Cc1cc(C)cc(C)c1	408874876	BQSVMJAFNZPTEO-JCMHNJIXSA-N	472.516	5.098	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O	408884332	YMIOGGAZKDBZHI-LDADJPATSA-N	481.335	5.547	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)C2=O)cc1	408901587	YZESVLAJYGIACT-ULJHMMPZSA-N	488.515	5.250	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)C2=O)cc1C	408928555	CIFHGVCWJXYASP-YDZHTSKRSA-N	475.570	5.092	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc(Cl)c1	408935568	DCNNGRFLMASDRN-HYARGMPZSA-N	460.917	5.370	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409132795	LSQHYVTVRINVQR-UUYOSTAYSA-N	484.647	5.460	10	40	JKCB	
Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(I)cc1	409145871	QHEPYWIIHAEFKP-FQEVSTJZSA-N	459.356	5.396	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S	409332446	ROFPNOFNGVADOW-LICLKQGHSA-N	457.939	5.776	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)c1	409339595	WTKUSXLCWGTRJP-HMAPJEAMSA-N	462.552	5.888	10	40	JKCB	
Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O	409373038	SIJZOSMJMZZOMF-RQZCQDPDSA-N	477.398	5.721	10	40	JKCB	
CC[C@H](C)[C@@H](NCc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc12)C(=O)O	2090424	BUOQBVVJGXVRDI-JEOXALJRSA-N	466.317	5.187	10	40	JKCB	biogenic
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	6298943	BBSXKAWCXXOBBW-VWKPWSFCSA-N	482.960	5.276	10	40	JKCB	
CCCCCN1CCN(c2ccc(/N=N/c3ccc(-c4cnc(OCCCC)nc4)cc3)cc2)CC1	9075728	UUGZZSGSYUBPFY-ULIFNZDWSA-N	486.664	7.050	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccccc1	9187029	YMCAIAPIANJDPU-XQNSMLJCSA-N	490.606	5.211	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	13809771	KWKUZDKVJUFTJF-BKUYFWCQSA-N	473.891	5.989	10	40	JKCB	
O=C(Nc1ccc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O)c1ccccc1	23477813	WPZYPULDADILSU-UHFFFAOYSA-N	468.512	6.611	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)SC1=S	33412339	BKEJIHCDCPWBIN-BKUYFWCQSA-N	470.015	6.302	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	33924589	CXBRMDHLKHGFHR-YMGQGWEUSA-N	488.491	5.407	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c(C)c1	34256653	SSFGTENNWZAYHI-AQQGHWPGSA-N	487.673	6.691	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58848958	HHFYNMBQZODVPW-VKIDHGPPSA-N	492.597	5.340	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850302	PMYINQWKOKOGQV-DFXHWTJYSA-N	499.007	6.505	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cc(Cl)ccc1Cl	59135350	XOKUKRWYXDFHIC-VCHYOVAHSA-N	472.303	6.047	10	40	JKCB	
CC/C(Nc1ccc(Br)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100157848	SXPZWLHGSRLJBP-DTQAZKPQSA-N	495.324	6.100	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cc(Cl)ccc1Cl	100524864	HYMMXXHVSLFTCE-GSWFEHRJSA-N	475.317	5.900	10	40	JKCB	
CN(C)c1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3N=C3CC(C)(C)CC(O)=C32)cc1	104144364	WJXCVVKLVHIJNP-MUUNZHRXSA-N	465.597	6.855	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)c2C)cc1	106732335	HCAAKFXZZRNXMS-XKZIYDEJSA-N	497.414	6.102	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC	113837647	ZEWDYWNEHULDEI-FYJGNVAPSA-N	471.600	5.050	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3Cl)C1=O)[C@@H](C)CC(C)(C)N2C	208229267	BTAOTRIIGTXMHZ-BDQMVGTNSA-N	455.023	6.607	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc2C(C)=CC1(C)C	208504836	CQNIKKPCCQYISB-BKUYFWCQSA-N	482.447	6.553	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c(C)c1	223102578	ZHNCHZWGSGRELR-XCZPVHLTSA-N	472.702	6.720	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390871	ULUKQTSMIFONMK-KAYWLYCHSA-N	487.072	6.624	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223413119	PKSSFXZKGNKKIQ-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224240951	XOVOQXZHUOWILE-YTMVLYRLSA-N	480.681	6.845	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271770	DESHPYIOHNJMJZ-WDYNHAJCSA-N	480.681	6.900	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1F	224432319	SFBXAVFADOHUBA-RPBOFIJWSA-N	460.553	5.944	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463813	HLKHRYPESOFQKY-SVBPBHIXSA-N	487.072	6.882	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1	224804905	LZLYJASTMILWBF-IZLXSDGUSA-N	498.652	5.992	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1F	224899107	IIIARRQGQLVKPI-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1	225042398	YIJOGGYPXLUWRG-VSGBNLITSA-N	481.669	5.964	10	40	JKCB	
O=S(=O)(O)c1cc(N=Nc2ccc(/C=C\c3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	245240001	NVBYMNFFVGBGMZ-HLYYJHRYSA-N	470.510	6.254	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408755294	JHBDAXQLIRIHIA-FYJGNVAPSA-N	495.760	5.724	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2Br)cc1	408756528	VYMJLOSZKBPJNA-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2Cl)cc1C	408806063	ABZDNJSXLGCTSV-LPYMAVHISA-N	488.971	5.819	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OCc1cccc2ccccc12	408873157	NTQRQTBTJINLCC-JCMHNJIXSA-N	496.494	5.233	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O	408877526	VNEGXEWELLMHTL-RGEXLXHISA-N	495.362	5.801	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F	408897116	VUCMFXMXPPNGDB-SFQUDFHCSA-N	485.298	5.378	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC(=S)N1c1ccccc1	408901886	IKPDAIURBBEGBF-YDZHTSKRSA-N	495.456	7.402	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(C(=O)OC)=C2C)cc1	409020264	NGPZIMIIPAQIAC-ONUIUJJFSA-N	484.596	5.987	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)SC1=S	409328408	UOZLBBVCSZRHRG-NDENLUEZSA-N	482.454	6.582	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2SCc2ccco2)SC(=S)N1Cc1ccccc1	2534510	NORORAVBRWNJJD-NDENLUEZSA-N	468.581	5.882	10	40	JKCB	
Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2O)c(C)c1	6142966	LHIYQWGTTSFJBW-UHFFFAOYSA-N	485.630	7.267	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(CC)c4)cc3)C(=O)N=C2S1	8453050	QEINSBVWHTZCSF-YRKOIEFQSA-N	476.602	5.434	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(OC)c1OC	9188820	FUGDGKMFYKCCLT-JCMHNJIXSA-N	479.579	5.911	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(C)c2O)N3)C1	15946085	HDXOSNRDHDCQMA-BUXKBTBVSA-N	463.441	6.495	10	40	JKCB	
CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(OC)cc2)cc1	20289074	CXJXMOBECHZNBE-ULJHMMPZSA-N	472.501	5.139	10	40	JKCB	
CCOC(=O)c1[nH]c2ccccc2c1/N=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1	20840283	TVTZNDXIMDIPKX-KTMFPKCZSA-N	465.557	5.731	10	40	JKCB	
C[C@@H](COc1ccccc1)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	26593213	WBFZKJFAOHWBBL-UZXDDYOISA-N	461.608	6.186	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3c(Cl)cccc3Cl)c(OC)c2)SC1=S	32109497	YETCFDVDTVOSCB-MFOYZWKCSA-N	488.845	6.456	10	40	JKCB	
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1C	33400079	FENYTCDOYPUQPN-UHFFFAOYSA-N	488.996	6.575	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1	40006327	AHDGFCZAQYWJTC-HMAPJEAMSA-N	474.047	6.462	10	40	JKCB	
Oc1ccccc1[C@H]1CC(c2cccs2)=NN1c1nc(-c2ccccc2)c2cc(Cl)ccc2n1	89851089	VHRDCERNNQUKQF-HSZRJFAPSA-N	482.996	7.073	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21	208253066	SHDFDCBSWGQXIQ-LKEIMFIWSA-N	475.441	6.952	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222925685	FSCADFKNRZENDN-DNQXCXABSA-N	453.055	6.079	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Cl	223496433	JKRXREILVSFECR-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223761636	YCVDYWQBBALDFY-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224167851	XYIISAZGZJRDHO-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1	408650182	ZSJRBPNBRQXBCC-HXUWFJFHSA-N	452.510	5.632	10	40	JKCB	
Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)c2)cc1C	408728249	YDEZLRSOTUYLPG-RJUNGPLCSA-N	463.946	7.319	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1Cl	408982690	DVQAVIPISUWVTF-XNTDXEJSSA-N	486.267	5.136	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1Cc1ccco1	409135396	VBAMXXOUMWVALQ-JLPGSUDCSA-N	474.607	6.105	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409165087	SEVFXEQHJRNNJJ-LXIYXOSZSA-N	483.175	6.194	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC1=S)c1ccccc1	409175201	XLAYWYFMYRFBJS-KOEQRZSOSA-N	496.613	5.965	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1ccc(F)c(Cl)c1	409180166	URFVBJMIFNOOKJ-VCHYOVAHSA-N	450.343	6.798	10	40	JKCB	
O=C1/C(=C/c2c3ccccc3cc3ccccc23)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1	409330496	AWFOXJYVUMYOQD-HMAPJEAMSA-N	470.531	5.943	10	40	JKCB	
CCOc1ccc(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CCC3)cc1	920845	CBOPTTNMYOICFZ-UHFFFAOYSA-N	452.576	5.517	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1	2186542	JSMNDLJNLVLBJK-NCELDCMTSA-N	469.610	5.590	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cccc(O)c1	2512774	WKSCQALDQZRHSP-LJQANCHMSA-N	458.355	6.525	10	40	JKCB	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)S2)CC1	9273816	DLWUSWSOYNVRKM-XQNSMLJCSA-N	497.542	6.066	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1	9310558	GWLVSLNONKYZDL-PXLXIMEGSA-N	466.628	5.546	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccccc1Cl	9634110	UTWUYAJFEPGKKH-CTPANLQCSA-N	476.019	5.308	10	40	JKCB	
O=C(Nc1cccc(O)c1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O	9730653	QUINTRJAGQTFBL-QVIHXGFCSA-N	462.465	5.861	10	40	JKCB	
CCc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	12463318	XWJCVNUZKIKTAW-BWAHOGKJSA-N	475.635	6.421	10	40	JKCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)c(C(F)(F)F)c1	16712738	AXDVIBIJHGKNIB-GUSDSWBTSA-N	482.936	5.755	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(Br)cc2)cc1	20288996	MFPWDTNUQQAJOH-KQWNVCNZSA-N	492.373	5.603	10	40	JKCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1	22522477	LEHYNTJDLUXRHO-UHFFFAOYSA-N	463.942	6.164	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	33516805	SPOVGKIAWLCDPW-IUCHBDIMSA-N	493.567	6.054	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	33919756	YMDIPWLIMXNLGV-VKPUNFQASA-N	473.989	5.609	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c1	34871357	WHXKDCVTLGKSMD-DEIISRMLSA-N	489.988	5.424	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58848897	NPDFDAVKIBXBAF-ATLLOTDBSA-N	450.535	5.462	10	40	JKCB	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	62621044	TTWIAZKMXKVYJM-YBFXNURJSA-N	469.324	5.042	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc2ccccc12	83293515	JUPXGPOKQXXZME-IWIPYMOSSA-N	498.966	5.932	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCSc2ccc(C)cc2)cc1	112297821	SPRCDVSBCKENML-PLRJNAJWSA-N	475.589	5.550	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223458548	UKSSNNXHQBIICQ-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	224169372	SANKVNYTCUNPNO-JWQCQUIFSA-N	493.463	6.973	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224237370	RMLGKKUFBKIPTC-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224339243	MTOYMPZAUGKEMZ-YTMVLYRLSA-N	480.681	6.845	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)cc21	224455892	ULULHAMZQUVHQL-JWQCQUIFSA-N	475.061	6.544	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	224533706	VHZWBBVOFOJHNV-UIOOFZCWSA-N	498.608	5.373	10	40	JKCB	
C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1	225666331	RIKRHKBSUPAAIA-HXUWFJFHSA-N	450.652	5.351	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)N21	260775187	PRRSIUXSJSWHEU-DKLXNKCPSA-N	467.038	6.131	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1C	260926951	XEGNQTXGSNVQIH-QGUKFAFCSA-N	460.647	5.257	10	40	JKCB	
CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408650193	ZUWJVTOACNSQKC-JOCHJYFZSA-N	450.538	6.186	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)c1	408780116	SLIBQOAWOHTTMV-WPWMEQJKSA-N	476.532	5.702	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(F)cc1	408807215	KQRYHQMOXPRHOO-GTTXDWGESA-N	488.652	7.287	10	40	JKCB	
COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	408828734	LZHPNPDGPXPKIN-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408866312	GSESTZIOEYKORA-XDHOZWIPSA-N	451.309	5.251	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408866537	HXMGCCSDTGPMCV-PCLIKHOPSA-N	482.580	5.576	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409023506	GASDWMPMNGFUAZ-HAHDFKILSA-N	473.500	5.291	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S	409029414	AQAIPXCFVPTWEE-ODLFYWEKSA-N	462.434	5.885	10	40	JKCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	409141663	ILZAUUSYWQTEGE-BKUYFWCQSA-N	483.376	5.973	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1	409245474	UGYDHBVINGARLI-LFIBNONCSA-N	457.338	5.393	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1	409334239	WGKSYWSPAVXYRQ-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409334834	WLDKWSVQEODTQW-MTJSOVHGSA-N	482.970	6.233	10	40	JKCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S	2994013	LDHLRRPLGQXHGL-ODLFYWEKSA-N	499.953	5.491	10	40	JKCB	
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(-n4c(C)ccc4C)cc3)c3ccccc32)cc1	4124729	CAGJQPNQUDIGST-SSEXGKCCSA-N	464.565	5.410	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1Cc1ccccc1	9296556	SZASKBRNCVDYRB-YBFXNURJSA-N	456.932	5.910	10	40	JKCB	
CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)N[C@H](c2ccc(N(C)C)cc2)[C@H]1C	9309908	UJSGOICYYICMBC-FOPBRNFPSA-N	451.699	6.178	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc2ccccc12	9311233	JYJXJVBJOUKLEG-OQKWZONESA-N	452.351	7.074	10	40	JKCB	
O=C(c1ccccc1)c1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c([N+](=O)[O-])c1	12346002	BVXMDVAUZIBBSS-QNEJGDQOSA-N	473.492	7.298	10	40	JKCB	
Cc1ccc(OCc2ccccc2Cl)c(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)c1	12467589	SQLBRNAJPLBQEQ-UCQKPKSFSA-N	480.054	7.250	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(=O)c1ccc(F)cc1	16196081	SDIUBOIAMVLBKO-STZFKDTASA-N	471.575	5.587	10	40	JKCB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)c1	19791755	GYPRXIQVJVQOJP-UHFFFAOYSA-N	461.480	6.303	10	40	JKCB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	20797407	AQWIAHCGOFRINP-DEOSSOPVSA-N	457.965	5.683	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1\C(=O)N(c2ccccc2)N=C1C	27501263	UAIYCHCMMSLVMO-DHDCSXOGSA-N	450.130	5.026	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C(=O)N=C2S1	41083490	JDLRBFXNZBTXIM-YXZMWACZSA-N	478.430	5.731	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2	58846446	VLIHXSVAOJONFN-ANSQWYIGSA-N	499.463	7.238	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847643	LPZGYUPUSXMRGZ-DXMSMQRWSA-N	489.399	6.760	10	40	JKCB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)o1	108224876	RDFIVIJMOPPEFR-ZVHZXABRSA-N	486.549	5.863	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1	113834448	HBVIPJDZSFCJPO-WSDLNYQXSA-N	496.541	5.727	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224235372	JUPDEJIOVMSORI-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404642	UOAPKXLIYMFIGA-CLJLJLNGSA-N	491.035	6.767	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C(=O)NC1=S	260572544	WTQXUBWEZCIVJQ-GNFOSXPUSA-N	475.658	5.501	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1	408784178	UCTFCKNTHBKSIW-UFFVCSGVSA-N	476.960	5.180	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)cc1C	408804842	BSVSOPKZHUBKDS-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	408853547	VGEDZCRLWRIRNH-GXDHUFHOSA-N	477.756	5.738	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408902708	QGDKKAZCAHFTEI-RGVLZGJSSA-N	469.975	6.062	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1	408940313	NTXPZSUCLMXVQP-HZHRSRAPSA-N	475.342	5.470	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)C(C(=O)OC)=C2C)cc1	409014270	IFNLRPFVEZSMDD-BWAHOGKJSA-N	497.547	5.320	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OC(C)C	409031319	AOYJKTLBBNLCGT-JYRVWZFOSA-N	454.395	5.374	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccccc1	409147837	NUAANIRFYDPMHT-QRVIBDJDSA-N	479.001	6.888	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)c1	409252401	XQIIHIIPKIAHSN-IWIPYMOSSA-N	499.567	5.059	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409328221	QCQUYYSFLYNTMW-ZDLGFXPLSA-N	487.902	5.822	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S)c1cccs1	409328489	WGHXVBSAUCYRAS-XDHOZWIPSA-N	470.572	5.012	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OCc2ccc(Cl)cc2)SC1=S	409342019	DJYGFGGKYSIXEK-HYARGMPZSA-N	498.025	6.342	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC	409346518	KGJYEHHVABKWQE-RQZCQDPDSA-N	498.409	5.350	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1C1CCCCC1	409349490	PTNCIRMXJDHJPZ-QRVIBDJDSA-N	485.049	7.016	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Br	1848892	CLUAZQNBFKXTAN-JXLMVQBASA-N	487.444	5.625	10	40	JKCB	
CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2264567	FYRSNNFWZQQEPS-SYBRLPANSA-N	465.578	6.206	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCCCCCCCCC2	2754671	FDJLMPBQEBOIHT-MSOLQXFVSA-N	461.624	5.750	10	40	JKCB	
CCCCN(CCCC)C[C@@H](O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21	8756861	MJICQGMQLJIKBI-UIZNLQPJSA-N	486.660	5.711	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S	8821375	DVTYEFQHXXIRMY-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821460	CALYZXBEWPRMBG-ZXMBATIKSA-N	470.399	6.098	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c2ccccc21	13804604	CRQSQNOHOMFWOU-VHPLGQTOSA-N	484.625	6.401	10	40	JKCB	
CCCCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	18136359	GFTIWUFIXKHVLT-CLCOLTQESA-N	478.687	6.544	10	40	JKCB	
COc1ccc(C2=NN(C(=O)CSc3ncc(-c4ccccc4)n3C)[C@H](c3ccco3)C2)cc1	23292442	SYILZTIPQOAZJT-QFIPXVFZSA-N	472.570	5.159	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	26580586	KPFYQRJVORQKGT-UCQKPKSFSA-N	496.053	6.637	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)N3CCCc4ccccc43)C2=O)cc1	32701755	GVEUKIUCODCCDP-PTGBLXJZSA-N	464.656	5.736	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c([N+](=O)[O-])c4)c3C)C(=O)N=C2S1	34256161	MRYJWRANVQWRET-GXMOOAJBSA-N	498.996	5.711	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)o2)cc1	35127043	RLRPYQWCXXWDMB-SUYASHRRSA-N	478.643	6.719	10	40	JKCB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[C@H]2C=CC[C@H]21	58847291	BALUJYJLQZFNNJ-SRGWNRLKSA-N	481.961	5.876	10	40	JKCB	
O=C(CC(=O)N1N=C(c2ccccc2)[C@H](/N=N\c2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl	104292072	FKVLWOJNRCWKPA-BMJHRBPQSA-N	494.338	5.248	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccccc3Cl)C1=O)[C@H](C)CC(C)(C)N2C	208229224	BTAOTRIIGTXMHZ-YSUUHWHMSA-N	455.023	6.607	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Br)cc4)c3C)N21	222698772	BANQDBWMQSLWRA-CDNPAEQRSA-N	481.463	6.231	10	40	JKCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Br)cc2)c1C	222786135	LATPUTAHZWZMQP-RTWAWAEBSA-N	455.425	5.244	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222906074	SQQHVIOQYKABRB-PKTZIBPZSA-N	472.580	6.136	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224015892	ZKAZHKXYWPLCBS-SXOMAYOGSA-N	498.608	5.404	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224241246	HDPWTBKOSBWHKL-RPBOFIJWSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	224464227	GABFJMGGOJEIDT-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1	225503759	KISLUCUHDJQBNE-WUFINQPMSA-N	495.652	5.409	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	225719033	ZETFEBFNPHFLBM-JLJGYXLTSA-N	473.642	5.695	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2Cc2ccccc2F)C1=O	408884235	XJPZVYABCASMLY-XSFVSMFZSA-N	493.332	5.154	10	40	JKCB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c1	409035986	RBOSXGZYFSMNOB-OQLLNIDSSA-N	490.384	5.543	10	40	JKCB	
Cc1ccc(NC(=O)c2c(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc3c2CCCC3)cc1C	409109773	LDKNEXUMZOSPER-UHFFFAOYSA-N	499.614	5.513	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\NC(=S)N(c4ccccc4)C3=O)c2C)ccc1Br	409126327	FLAKGGXAEJMFAL-BKUYFWCQSA-N	466.404	5.427	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1O	409343599	HYYYSYQBPDSXGP-YBEGLDIGSA-N	450.379	5.268	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)SC2=S)c1	409347697	MNHGQFAYIUVBJT-CFRMEGHHSA-N	493.028	7.196	10	40	JKCB	
Cc1cc(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c(C)n1-c1ccccc1	3330437	HBOGGNOPDZFGPH-UHFFFAOYSA-N	477.589	7.094	10	40	JKCB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c1	8453051	YAEQPFFZRQWYFG-KLUMOMIWSA-N	476.602	5.290	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc(F)cc1	9311302	BXHXTCVVRZBPAJ-XMHGGMMESA-N	476.334	7.864	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1C	9424930	CKXKDWFDXPLQDO-HAHDFKILSA-N	485.971	5.186	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	32192946	ASCCVLDIQKRIJI-RVDMUPIBSA-N	458.923	5.055	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(Cc3ccccc3)=NN12	33149731	CTKBHTIZJRDJQT-ARLVZQCQSA-N	464.909	5.601	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	58846164	BXFDXIPCLFCDRD-UNVFRBQDSA-N	498.570	6.895	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c2C)c1	59135346	ZHWIKOQNZXXSDX-YBFXNURJSA-N	495.894	5.180	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1	59198301	MKNZIWYULNJYOS-JAIQZWGSSA-N	498.764	6.017	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	59435745	SDBKJTDZBARDGB-ZROIWOOFSA-N	456.247	5.889	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S)cc1C	103122009	GKVWZLRYAXOQCJ-LPYMAVHISA-N	463.990	5.607	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106709465	TVOVYLNHRJCDPC-MTJSOVHGSA-N	499.514	5.788	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	108123000	QSSGEWSNCXYMBH-ZDLGFXPLSA-N	457.288	5.173	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223012761	UBVQVPSZDXOGBA-FCHUYYIVSA-N	475.445	5.415	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(Br)cc1	408527634	BCEUXTUQCVSGMJ-SXGWCWSVSA-N	484.824	5.569	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(Br)c2)c1	408766100	ZICMSJCTLOYGBI-FYJGNVAPSA-N	496.202	6.355	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408810271	IMUGUDQEJDGOLC-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3cccc(F)c3)c2)C1=O	408935984	JJLNBLREGBLQHV-MOSHPQCFSA-N	464.880	5.033	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1	408937244	NNSYEXZJVVZHHB-MTJSOVHGSA-N	497.334	5.247	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1C	408968434	WPGAUDKLIHOPJP-HAHDFKILSA-N	459.571	5.332	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408974484	AJHWJMDXMFAGFD-FOKLQQMPSA-N	494.809	7.456	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c1	408984311	GMOCWHDLVUBJPY-XDHOZWIPSA-N	450.321	6.251	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)c1	409009635	HDPSXULKPRFNEI-UNOMPAQXSA-N	495.398	5.466	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC(=S)N1Cc1ccc(F)cc1	409141542	ACCGBKPAFBAYLS-QFIPXVFZSA-N	489.996	6.169	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4Cl)C3=O)c[nH]c12	409146222	RLBVSEOZKSRMBN-ZDLGFXPLSA-N	455.992	5.238	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S)c1ccccc1	409183739	ULLRXVJLHHTOGW-FYJGNVAPSA-N	498.988	5.604	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC	409198438	AQVKNMBBYVOUNH-PDGQHHTCSA-N	495.464	5.592	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	409217185	NWTTWJGCXMSQNZ-XDHOZWIPSA-N	461.486	6.380	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)SC1=S	409332273	QCFCKHUNMCLLNK-MTJSOVHGSA-N	488.556	6.527	10	40	JKCB	
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1	879718	DLLIUKVZTGPDNS-UHFFFAOYSA-N	488.590	5.595	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c2c3c(sc2n1)CCCC3	3267733	CGXLYFZFASQUTF-UHFFFAOYSA-N	465.619	6.400	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C(C)(C)C)cc4)C3=O)c3ccccc32)c1	4817552	ZHWQIZJRUULNGV-YZSQISJMSA-N	491.591	5.962	10	40	JKCB	biogenic
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O	8819321	MMVVASVUGWWWDK-QJOMJCCJSA-N	474.607	5.592	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	9293606	SJCSNXQWRZUROF-IJQXDZDCSA-N	467.598	5.632	10	40	JKCB	
Cc1ccc(OCCCOc2ccccc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1	12629693	TYJDUSXKWGGHPS-KQWNVCNZSA-N	465.596	5.837	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16000776	YGHHAFOYBFPGEP-ISJGIBHGSA-N	498.922	5.271	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3\SC(=S)NC3=O)cc2OC)cc1	20573314	IUWJUGVRSTYHEW-DABDWFRDSA-N	478.035	5.809	10	40	JKCB	
N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N12	41074290	FSCXFTOBRPXUGH-AQQGHWPGSA-N	473.561	5.844	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(Cl)c(Cl)c2)C(=O)N=C2SC(c3ccco3)=NN12	41076745	DMTUXQHHWPYVJF-MTLBIAMWSA-N	456.314	5.045	10	40	JKCB	
N=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N=C2SC(c3cccs3)=NN12	41108179	UVMSRZCEYZZSPO-IQGAPNPZSA-N	485.015	5.954	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2	58847987	XFVFGLWOKZRYED-ATLLOTDBSA-N	495.000	5.974	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	100077823	ROLXYDMFWXRLRP-LFIBNONCSA-N	451.822	5.013	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc21	208474951	HKKXOINPKOWLAU-YBFXNURJSA-N	466.006	5.111	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc(Cl)c1	223309393	XEDXPUZUWVOZRF-NKKJXINNSA-N	467.038	5.294	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224271352	QQZCVUAILIYLEI-FQLXRVMXSA-N	480.681	6.900	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21	260851256	KWNOBHLNDRQVMS-SXOMAYOGSA-N	497.668	5.325	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1	408532274	MFUDZAJLKBHEFI-ZROIWOOFSA-N	463.719	5.346	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1	408758852	SLSKCUQOSNDZCD-BUVRLJJBSA-N	471.329	6.576	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O	408807269	GTLJKTMJUZAMCP-WOJGMQOQSA-N	499.325	5.686	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	408812599	WZEDQYOWMNLNCW-JJIBRWJFSA-N	462.505	5.394	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)C2=O)cc1C	408855465	NJJMRYYKHHUNTH-GZTJUZNOSA-N	499.748	5.646	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O	408887220	MSVNMQJXOHDPDU-GZTJUZNOSA-N	499.325	5.686	10	40	JKCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1cccc(Cl)c1	408960493	MGLRIDNGJBKKFG-MOSHPQCFSA-N	455.967	5.005	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C(=O)NC1=S	408964119	BSSSUKZUGZKKDD-XQNSMLJCSA-N	480.593	5.036	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408969879	WEDVKBIVFUQWHW-KQWNVCNZSA-N	490.456	6.906	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c1	408971975	NAJOXOAMHQPMQY-RGEXLXHISA-N	454.404	5.472	10	40	JKCB	
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)Oc1ccccc1	408997836	JMNOHUJTFQCIGU-SADOOTFCSA-N	464.525	6.440	10	40	JKCB	
CN1C(=O)NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C1=O	408998164	IFPQZOONOMBYAC-XQNSMLJCSA-N	481.939	5.556	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409056470	RKHRJPFPIAQFCH-QQXSKIMKSA-N	454.570	5.897	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)cc(C)c1Br	409149207	ZCDAMNDWUICUTD-BKUYFWCQSA-N	481.415	6.714	10	40	JKCB	
CCOc1cccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c1OCC(=O)O	409217685	RLQVYZOLKYVKJF-LZYBPNLTSA-N	484.382	5.261	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409344175	GANKDDILEZTDBB-PXNMLYILSA-N	470.450	5.293	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc45)c3)SC2=S)cc1	409352223	XCBJBXFKCAGUHE-OVVQPSECSA-N	497.641	7.223	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	2053881	WGNKBZCKVLWKON-LFVJCYFKSA-N	492.044	5.921	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1	2235323	WGHSYYILDCYTAB-LPYMAVHISA-N	473.891	5.989	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1	8694352	HGSKMECVPHGERJ-HYARGMPZSA-N	476.960	6.588	10	40	JKCB	
O=[N+]([O-])c1ccccc1N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1	8843376	ULLOFCAGBIMSMH-UHFFFAOYSA-N	462.358	5.659	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1	9659828	JNUQTZWUZQZNPX-MOSHPQCFSA-N	467.308	5.239	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(Cl)c1	12032279	QKMIEGFXYLEDOA-YBEGLDIGSA-N	481.824	5.333	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2c2ccccc2)cc(Cl)c1O	13914850	ZMAJIXBKYGEWHU-ODLFYWEKSA-N	497.776	6.041	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)S2)cc1	35645577	HMADNMPEZJJDLA-BUVRLJJBSA-N	495.000	6.409	10	40	JKCB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C1=O	35843242	PROHNLRRZLTDRT-XPNTWCBSSA-N	499.350	5.149	10	40	JKCB	
N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC(c3ccccc3F)=NN12	41108196	PBPVTIDBXPZDOY-IDSPKZQESA-N	494.349	5.046	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCc1c[nH]c2ccccc12	54360704	ALXHXSSUJAWMIX-QJOMJCCJSA-N	477.655	5.288	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1c(F)cccc1Cl)N2	58850152	UHJYRIUEYPEXTP-ATLLOTDBSA-N	468.981	6.415	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	59959194	BVBLNSXWGSCYAE-JLPGSUDCSA-N	455.510	5.151	10	40	JKCB	
O=C1/C(=C/NCc2cccnc2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	96609542	ARSUICUCZVNAFE-XMHGGMMESA-N	492.029	5.513	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1-c1cccc2ccccc12	223306249	YEWOAUXNEKHFSW-FAQZDJIUSA-N	482.653	5.794	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	224305956	BAYYYLQWKSMCLF-NSOVKSMOSA-N	496.636	6.012	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224334018	HPAYFXODJQUWIT-IZLXSDGUSA-N	466.654	6.537	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224529572	SREJTFURMCTCFI-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019438	LQQSQYVBZMKJST-RPBOFIJWSA-N	465.066	6.366	10	40	JKCB	
CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	408533240	QEKONIKTAUAJCF-GDNBJRDFSA-N	467.736	5.492	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	408779012	OWAZNYLVGBRFEL-ITYLOYPMSA-N	468.597	5.626	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O	408803404	ONDMHGDCZUPVRW-DEDYPNTBSA-N	464.880	5.033	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1	408882741	QNVKRPVMRKGGCZ-LFIBNONCSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1Cl	408935628	IECNQDPMMYJOQG-MTJSOVHGSA-N	481.335	5.547	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2cccc3ccccc23)N[C@H]1c1ccc(N(C)C)cc1	408989768	LYYMIBFFASVYCI-VWLOTQADSA-N	459.615	5.677	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1	408997513	MTZCIFIRORJUND-LDADJPATSA-N	497.370	5.422	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1OCc1ccc(Cl)cc1	409338303	HMIUJVFKNWAXOQ-STZFKDTASA-N	474.047	6.462	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(Cl)c4)C3=O)cc2)c1	409343621	FDWMIWIALCIVNC-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1	409349217	UXBSBRVGKROOKI-WSDLNYQXSA-N	491.546	5.049	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	409368449	WLBHCWOYRVKNTB-LHHJGKSTSA-N	493.224	6.238	10	40	JKCB	
CCOc1cccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)C2=O)c1	977437	RJTNPYRCVFOENS-HZHRSRAPSA-N	457.530	5.562	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1ccc(F)cc1	1197916	OHUWLSBBLYMGTM-SXGWCWSVSA-N	468.369	5.055	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cccc(Cl)c1	2307238	QFWGHDKXRGBVGR-BOPFTXTBSA-N	451.400	5.614	10	40	JKCB	
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1	2637993	MCQFBMRWPZTXJO-UHFFFAOYSA-N	470.900	5.193	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc12	4290114	MUMIHEPOBZGMGB-INIZCTEOSA-N	483.486	6.837	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1	8819774	GFUVELKYPOXRNI-ZHZULCJRSA-N	468.600	5.094	10	40	JKCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	8821611	OZKOBACOVUYXAX-BRYYZUPOSA-N	470.399	5.954	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1C	9066465	AXJALXXXWSQMRV-ITYLOYPMSA-N	462.553	6.053	10	40	JKCB	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cccc(OCc2ccccc2)c1	9188931	IJFQTSIDRLJWGB-OOAXWGSJSA-N	468.622	6.191	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1cccc(Br)c1	9233979	SVYLORLBMCTMHS-WQRHYEAKSA-N	476.804	6.768	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(Cl)cc1	9344533	YPGBGBIDZDPRMW-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1	13661211	OVYGPYPPALXMTK-XYLCRUHJSA-N	461.949	5.370	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2Cl)c1	13671157	CROVAQLDUDEOOT-UHFFFAOYSA-N	498.048	5.370	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21)NC1CCCC1	15228099	BURWUNAUUXVEEF-HAHDFKILSA-N	481.687	5.482	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc5ccccc45)cc3[C@H]3C=CC[C@H]32)cc1	16691923	SSUTWCJPVAAKNR-LUXHBGHRSA-N	496.632	6.866	10	40	JKCB	
O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21)NC[C@H]1CCCO1	20059424	OZRUZHMZVCPTQT-NWJFTTBMSA-N	477.564	5.155	10	40	JKCB	
Cc1cccc(N2CCN(CN3C(=O)/C(=C\c4ccc(C(C)(C)C)cc4)SC3=S)CC2)c1	20079746	HCHGBZROIIPHMI-HAVVHWLPSA-N	465.688	5.273	10	40	JKCB	
CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1	28290662	LKBBJJAJAAMDMV-OAQYLSRUSA-N	466.025	6.199	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1OCc1ccccc1	33409369	RHSBWFIOVDVUFZ-QNGOZBTKSA-N	458.539	5.336	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc3c(cc21)N[C@@H]1CC[C@@H]2[C@@H]4CCCC[C@@H]4C(=O)[C@H]4CC[C@H]3[C@H]1[C@@H]42	37246226	WVSXJYGUVHEAPF-WMOOMGCISA-N	465.593	5.781	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc(Cl)cc1Cl	40006127	QRHCNKVEIPTPSH-UKWGHVSLSA-N	482.454	6.438	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC	40846796	URIYUXFISNXKDK-UHFFFAOYSA-N	456.498	5.067	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c1	106734400	VVBNQWYGNQCSAG-OCKHKDLRSA-N	492.311	6.327	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1F	223459601	CZAACFCQLXYFAH-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)nc1	224373931	VBZLOIQFXCBEGX-VSGBNLITSA-N	481.669	6.493	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224431977	XBQKFRFGYQQKCX-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224604837	BFXFGNPFFFOSCI-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1	224622088	UKWNGNHVYVSQHQ-LOSJGSFVSA-N	456.571	5.072	10	40	JKCB	
Cc1cc2nn(-c3ccc(Nc4ccc(Oc5cccc6ccccc56)cc4)cc3)nc2cc1N	226306861	HLAFSCRULVFXHO-UHFFFAOYSA-N	457.537	7.000	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21	260919597	MLLHGIVQCSRTLF-WUFINQPMSA-N	497.712	6.188	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)S2)cc1	408769225	PODOEOJNKGTRFB-PLQXQRLBSA-N	462.575	5.473	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4C(=O)OC)c3C)S2)cc1	408775959	KZPPQGNTMUZRIY-OFCKJYIJSA-N	461.587	5.043	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1	408879344	FJHCZVSCFWOWBJ-PXLXIMEGSA-N	479.363	5.813	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)CC	408902715	QIFOXUYXMRRXSW-PVGUKEHMSA-N	492.460	6.431	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OCc2cccc(Cl)c2)c1	408937040	MEJDOKKDAJZMNV-UYRXBGFRSA-N	467.308	5.239	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCc2ccc(Cl)cc2)=N1	408989757	LXGKJSANCYIRRM-VWLOTQADSA-N	491.060	6.252	10	40	JKCB	
CC1CCN(C(=O)Cn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)CC1	409134083	ORVSUMLRADYSEH-HAHDFKILSA-N	475.639	5.306	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCC	409339442	IBGWHLOOCLRNCC-PDGQHHTCSA-N	478.433	5.648	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc(OC)c1O	409350733	YWSFDAUURZXFCB-VIZOYTHASA-N	486.796	5.231	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1OCc1ccccc1Cl	8821697	GVRNDXPTXSUIDA-BWAHOGKJSA-N	490.028	5.712	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)SC(=S)N1C1CCCCC1	9296527	QQUHRDGQHRUSBU-UDWIEESQSA-N	485.543	5.829	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)ccc1OCc1ccccc1	9434427	ATKDSLLOGKTEKJ-ONADPJLJSA-N	488.594	5.198	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c(C)n1-c1ccc(Cl)cc1	12546711	RNDGDMRXIYMSPN-SFHVURJKSA-N	477.033	6.569	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccccn3c2=O)SC1=S	13751789	CMDAQQQNRCSBDC-ZPHPHTNESA-N	472.680	5.102	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(CC)c4)cc3)C(=O)N=C2S1	13810462	SSODIVPQKJZECO-VHDUERLVSA-N	462.575	5.044	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc(C)c(C)c4)C3=O)o2)cc1	15932696	INEXXPKNGAJEHB-XHPQRKPJSA-N	489.571	7.211	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1	33652581	CHBOSAVSWJGJDL-IWIPYMOSSA-N	493.028	7.017	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	33652784	ITTSIDHLYKODKO-MEOLDJOHSA-N	455.971	5.175	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)cc1C	33916750	KBBYNVGAJSVKHC-YLOHPIGASA-N	497.624	5.718	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)SC2=S)cc1	41108539	ZRHKQCZXKJGBBJ-DHDCSXOGSA-N	499.249	5.885	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	58848112	PPPOZNROMNCIQB-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58849063	CPDDFOKXROQAAB-ANSQWYIGSA-N	481.017	6.366	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1C	100524894	WYCNUSGAPRJGOO-PZPYUUCDSA-N	488.798	6.409	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N\c3cccc(C(F)(F)F)c3)ccc2O)C(=O)N1Cc1ccccc1	106681015	YAKGATAZWNRXQC-GDGWPKDCSA-N	483.471	7.063	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223122272	XDKWMCKFIGGCHI-UIOOFZCWSA-N	488.657	5.581	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862070	XBGWPOFDYABXBQ-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405535	HKVHSTISGGYDBO-XCZPVHLTSA-N	484.644	6.676	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224875385	SXGIPVHSOGBCQI-ZEQRLZLVSA-N	490.032	5.729	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(C)cc3)C2=O)cc1OC	408757147	XLGYCJXEVHBYTC-KGENOOAVSA-N	477.358	5.609	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCc1ccccc1	408814377	VLIWOFCCULYKDB-UDWIEESQSA-N	490.943	5.211	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1Cc1ccccc1Cl	408873063	MMXDPQBKHDCBCB-XSFVSMFZSA-N	495.760	5.360	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1Cl	408988323	QLJVKDLAIWLSQL-XNTDXEJSSA-N	475.715	5.882	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S	409338960	RBVHLFWVECRWLP-JMIUGGIZSA-N	461.439	6.608	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409347495	QEGMCKFVSCNTII-BKUYFWCQSA-N	493.566	5.813	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	409350266	XSWYTERGBCQBER-HAHDFKILSA-N	498.626	6.106	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)cc1	409352109	YRTFHTUWCDPNIB-IWIPYMOSSA-N	499.617	5.244	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(F)F	409358753	LPHMPFRVULYCDK-CXUHLZMHSA-N	452.460	5.001	10	40	JKCB	
CN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc12	1770094	DMMQWCNMZXFFHE-UHFFFAOYSA-N	489.493	6.970	10	40	JKCB	biogenic
CCOc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC	2258608	FCEYDOPIQVKNHG-QJOMJCCJSA-N	470.525	5.105	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3)C2=O)cc1	8819836	NNUANVIKIVDCGZ-PGMHBOJBSA-N	454.617	5.404	10	40	JKCB	
C/C(NNc1nc2ccccc2s1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	9041735	AEOKBBMBQBVECW-XNTDXEJSSA-N	474.493	5.062	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c(C)c1	9293365	MPWWVWCWIXGFQZ-DCAHJCEHSA-N	497.624	5.718	10	40	JKCB	
CCCCN(CCCC)Cc1ccc2c(C(=O)OCC)c(NC(=O)c3ccccc3)sc2c1O	9943290	CLUZVKBVLKAXRK-UHFFFAOYSA-N	482.646	6.438	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	13769742	OSSKRVDGDXAVAM-ORQZCMOFSA-N	493.419	6.705	10	40	JKCB	
C/C(NCc1ccc(Cl)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20287884	ILBZYTPIGIMWQN-JWGURIENSA-N	458.974	5.764	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1cccc(Cl)c1	26840972	HJOOPFYNKQDHHW-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(C)c1	27019424	CGZPQOVKQIDXOM-YQIGTUNFSA-N	468.582	6.831	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1	33751391	ITKPKQXDTZBGGR-ZKNSXIRRSA-N	461.635	6.301	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)ccc1OCc1ccccc1Cl	59861068	KHIPPZXMJHYTSF-DEDYPNTBSA-N	490.943	6.051	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1	95471602	INZZDOHJOSRKTA-IWIPYMOSSA-N	495.004	5.476	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c1	95927313	AYNHTGSKFOUNFT-HKOYGPOVSA-N	488.613	5.021	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1Br	106734515	SEDLAPATMQQFCB-IUXPMGMMSA-N	469.763	5.544	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101442	NPNWLCQIZSEFFX-SXOMAYOGSA-N	458.675	6.411	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	223443785	DXVQPMZVLFHSCG-FTJBHMTQSA-N	454.599	5.362	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223537068	NCQMIQKCTPCBOG-OVBDPADQSA-N	461.631	5.247	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223757725	KVHXZBBUTDYVKE-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223859883	CXSBOUWEVBWZQE-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	224400056	DDFCKMTYSNAOKX-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	224885800	ZVXMAOMXGRWNKD-LOSJGSFVSA-N	491.016	5.725	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(Br)c2)c1	408761886	IBZYTELAICQFAG-RGVLZGJSSA-N	461.315	5.321	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)cc1	408784001	QEXJZSJPSLZTDP-KOEQRZSOSA-N	485.653	5.785	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)c1	408812045	LAOXOYUZEGMKBX-KOEQRZSOSA-N	490.559	6.010	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1cccc(F)c1	408871042	VJEGTJWEWVETGU-FYJGNVAPSA-N	492.934	5.443	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)c1C	409132419	XVQJDCXHWZGYAY-LDADJPATSA-N	470.472	5.414	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)o1	409165343	WUSRYDCNUDSPAP-JAIQZWGSSA-N	496.928	5.282	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)SC1=S	409206370	IVMJBTDVAVUKAG-PCLIKHOPSA-N	470.619	6.375	10	40	JKCB	
O=C(O)c1cc(-c2ccc(C=C3SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl	1903857830	WOBPZFKXPCYOLU-UHFFFAOYSA-N	455.944	5.700	10	40	JKCB	
COc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1272221	FDJPAGZUBVPEHU-UHFFFAOYSA-N	489.597	5.627	10	40	JKCB	
CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c1cc(CN1CCCC1)c(O)c2CN1CCCC1	1867653	XTPQZIATVUXMSN-UHFFFAOYSA-N	476.661	6.084	10	40	JKCB	
Cc1cc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(C)n1-c1ccccc1F	3295661	WNTDGDOYLQMAQB-UHFFFAOYSA-N	482.580	7.530	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[C@H]3C=CC[C@H]32)cc1	4003800	CPBFYPBQPSTYSI-PPJWLVRDSA-N	490.581	5.109	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(Br)c2)C1=O	11859677	MQCPBQMOVVBBLZ-HIMLSBAZSA-N	473.417	5.235	10	40	JKCB	
Cc1ccc(NC(=O)c2cc3ccccc3c(/N=N\c3cc(S(=O)(=O)O)ccc3O)c2O)c(C)c1	12359973	LZBFYQQOKGIGIS-DQSJHHFOSA-N	491.525	5.782	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13811052	BCQWYYXPQMNJJA-BAMDHRJJSA-N	499.552	5.315	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	58849137	REMZFKOHWSUEDM-LZCXECNNSA-N	490.581	5.411	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(=O)O)c1	223099720	GVVYTXMNDIIQQI-LOSJGSFVSA-N	474.630	5.493	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223458261	SZXYFOAODGUKCM-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1	224915341	MGXQHQALTSYDQD-FTJBHMTQSA-N	472.589	5.814	10	40	JKCB	
[O-][N+](=Nc1ccc(Br)cc1)c1ccc(N=Nc2ccc(Br)cc2)cc1	245238737	AKCJTJLJVIEARH-UHFFFAOYSA-N	460.129	7.553	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1)Nc1ccccc1	408572015	DVPIPEZBNJDWDF-JCMHNJIXSA-N	460.580	5.106	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(F)cc2)cc1	408767104	VSUMKYGRENFRRE-LPYMAVHISA-N	455.316	6.366	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1C	408842480	ACTQMKIRDKTRPL-WOJGMQOQSA-N	455.297	5.537	10	40	JKCB	
O=C1C(=Cc2ccc(Cc3cccc(F)c3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408867494	ISNWWROSXLVSFM-UHFFFAOYSA-N	476.507	6.000	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1cccc2ccccc12	408937255	NOZBLXWFAJLWAT-OVVQPSECSA-N	490.559	6.259	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1C	408965191	HEQATSCFPXPIIM-RGVLZGJSSA-N	481.980	5.335	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)cc4)C3=O)o2)cc1	408986634	RSIPKXWIBVTJOV-HKOYGPOVSA-N	461.517	6.513	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409052157	BYSXYMXLNARDRB-MYYYXRDXSA-N	458.533	5.727	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409062565	WUUWKMNAJQVINX-PKAZHMFMSA-N	468.597	6.403	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC(C)C	409107261	RLEAWKBXMYUSQF-OQLLNIDSSA-N	493.412	5.319	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1cccc(F)c1	409350050	WYGGURCHDPHLCI-PXNMLYILSA-N	461.902	5.606	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc(C(C)(C)C)c1O	3003532	DRUKIMSLTGQWEJ-CIAFOILYSA-N	483.655	6.117	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1C	9210570	CMRGVFJFUJIIKX-MJSBPXROSA-N	494.045	5.979	10	40	JKCB	
CCOC(=O)Cc1c(/N=N/c2ccc(OC(F)(F)F)cc2)c2ccccc2n1Cc1ccccc1	12413471	PMOKILYODSZPHP-NVQSTNCTSA-N	481.474	7.109	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OC(F)F)cc1	12565138	ZQMIMQYHHLJDHU-UHFFFAOYSA-N	481.417	5.683	10	40	JKCB	
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C	12637979	AMUFWHCJEVGKEH-FOCLMDBBSA-N	453.542	5.336	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4cccc(C)c4)C3=O)o2)cc1	15932679	ZRWBMMHNHCKNQD-PLRJNAJWSA-N	475.544	6.903	10	40	JKCB	
CN(Cc1cc(Br)cc(Br)c1O)Cn1c2ccccc2c2ccccc21	31666706	VNHHQSIGAHIEJU-UHFFFAOYSA-N	474.196	6.115	10	40	JKCB	
O=S(=O)(Nc1cccc(Br)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58848293	VAUCDNOHHHCXKI-YZUZCNPQSA-N	499.405	6.216	10	40	JKCB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(CC)CC)cc4)[C@@H]3C2=O)cc1	101149366	SDFGADUTZMUCIW-KCHLEUMXSA-N	499.611	5.373	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3cccc(Cl)c3Cl)=NC1=O)[C@H](C)CC(C)(C)N2C	208232517	VUDBCNLXVHBKRV-LPKQHDGYSA-N	474.457	7.106	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)C(=O)NC2=S)cc1	208308120	QGCQDQCXNZVVDU-HINJULBWSA-N	461.631	5.192	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1ccc(Cl)cc1	223226407	TWUNRCCZWRCVIQ-BJKOFHAPSA-N	468.070	5.067	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223405584	AMJYVAPGMMBTDX-SXOMAYOGSA-N	496.636	5.448	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224366163	HRYFHEYENRMVDI-URLMMPGGSA-N	480.681	7.098	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1	224622039	UKWNGNHVYVSQHQ-RPBOFIJWSA-N	456.571	5.072	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)c1	408761606	GYFQSZOTUAEXQL-FYJGNVAPSA-N	467.750	5.946	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1	408785009	WWIHVPAYRDGYNT-LICLKQGHSA-N	462.402	5.358	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)o2)cc1	408844599	DTMWHVICPOKWDY-LFIBNONCSA-N	485.348	5.287	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(Cc2ccccc2F)c1	408874677	DZEFSBNZIMVQOR-XSFVSMFZSA-N	478.907	5.053	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	409012203	JPZAUUXQZQPYLQ-WPWMEQJKSA-N	497.982	6.424	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409014831	LHMRXWSGBSXVFV-JLPGSUDCSA-N	469.537	5.460	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21	409165424	YCYYUPWDNJJRIK-SWYRRKHMSA-N	462.456	7.876	10	40	JKCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c1	409332242	PWUCZXRELYDASF-LZYBPNLTSA-N	470.797	5.526	10	40	JKCB	
COc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)N(C)C2=O)cc1Cl	2958759	AKLLODCLSKQJQQ-BOPFTXTBSA-N	470.399	5.291	10	40	JKCB	
CCN(CC)CCC[C@@H](Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccncc1	4366170	UWHHGPUJFLEBJQ-XMMPIXPASA-N	463.025	6.720	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	9293380	ZUEDTNLZQQIICN-HGEMSSTASA-N	498.052	6.346	10	40	JKCB	
C[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1	13562237	HBFNUMBDJFOQKV-IBGZPJMESA-N	458.071	6.587	10	40	JKCB	
Cc1ccccc1N1CCN(CN2C(=O)/C(=C\c3ccc(C(C)C)cc3)SC2=S)CC1	20102388	OIELDLGRRAZWSA-XQNSMLJCSA-N	451.661	5.099	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1	58848585	PWIYUZVWTZMVLV-PPJWLVRDSA-N	481.017	6.366	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)c1	58849263	QNTLZPQGBODPGG-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
C/C(Nc1ccc(Br)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100094859	OMFTYNOURWFHAU-GDNBJRDFSA-N	481.297	5.710	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222906204	SQQHVIOQYKABRB-GOTSBHOMSA-N	472.580	6.136	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F	223095385	WRWVQIPQTKFJNU-RPBOFIJWSA-N	498.618	6.813	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(O)cc1	224015479	LDDBETIPWRYHAI-IZZNHLLZSA-N	484.581	5.101	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224236925	XRKJDUDQNQJAQN-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224269409	KKZINBHYAVWVDS-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	224339535	PXVFDUVFRVSGAK-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224405602	WMSYBGXUTREZJI-JWQCQUIFSA-N	457.578	5.509	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1F	224901467	COGWSAQAGFCAJF-WUFINQPMSA-N	499.659	6.180	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)/C(=C/c3cccs3)NC(=O)c3ccccc3)cc2)CC1	225098034	GUJGMKXQWNLEAF-JLJGYXLTSA-N	473.642	5.633	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1	225343129	OJYMLZPKJFTYKC-WDYNHAJCSA-N	496.680	6.762	10	40	JKCB	
CCCCc1ccc(N/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)OCC)C2=O)cc1	256055405	FTJBGXNKPJKEBC-LEHARJQJSA-N	468.644	5.317	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(OC)cc3)C2=O)cc1	408756733	WYWOPDXPHONDLK-PXLXIMEGSA-N	463.331	5.301	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(Cl)c4)ccc4ccccc34)C2=O)c1	408810091	SXZCYSHRBKWEFX-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408892560	CBBJQPXTWJLRAR-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1-c1ccccc1F	408929779	OBWVRLYBHUNNLS-UDWIEESQSA-N	468.326	5.089	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5s4)o3)C2=O)cc1	408991704	OXDGKFMHDPMDHG-FOWTUZBSSA-N	461.524	5.015	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N4CCCC4)c4ccccc34)C2=O)cc1	409244299	AUZULFCWMFNBSI-LFVJCYFKSA-N	487.581	5.124	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	409328811	AXQALUZAXCXJFG-SXGWCWSVSA-N	454.798	5.907	10	40	JKCB	
CCCn1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21	409330342	KWFSKMAKLCGMEC-UNOMPAQXSA-N	457.418	6.220	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409347522	LYULZWXOCONKJF-XACIZNRCSA-N	482.852	6.686	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)SC1=S	409378913	SFYCPVNCRZTPON-APSNUPSMSA-N	493.264	7.100	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1Cl	1163734	YWLUZHJVNDHOSO-CIAFOILYSA-N	491.887	5.642	10	40	JKCB	
CN1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N(C)C1=O	2237465	DMZBFIHFYSVIEH-UHFFFAOYSA-N	461.521	5.245	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1	3353767	TWPHVBCNSFLLMX-UHFFFAOYSA-N	481.173	6.203	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C(=O)N1Cc1ccco1	8739304	AOZNCDMRDDHWDM-WOJGMQOQSA-N	494.334	6.092	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)C(=O)N=C2S1	9193187	DGXFUGXYDRWHBX-CCKYPGBUSA-N	488.444	6.456	10	40	JKCB	
N=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)N=C2SC(C(F)(F)F)=NN12	9246236	WYQOQLKUAHTHMS-DLMGCVJOSA-N	480.471	5.600	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1C	9307059	PPMWVRFOFZJHPW-DVELLGFNSA-N	453.571	5.378	10	40	JKCB	
CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1	10059393	GXDKHBRWZOGIQI-XYZCENFISA-N	469.832	6.450	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1C	13785797	OJDSMJSPSSSMJC-BOJMXSMESA-N	481.577	5.887	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc2c(c1)OCCO2	14361481	FOKSPJWAINMSTC-UHFFFAOYSA-N	463.574	5.198	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1	26675842	DWXALFWGMCZHIC-UCQKPKSFSA-N	496.053	6.637	10	40	JKCB	
CCSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S	26687440	JPTLEVUGUJCDBJ-FOWTUZBSSA-N	459.643	5.142	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c(C)c1	33710434	QWHRZCAQZLBSCN-DDSBZIKFSA-N	471.561	5.518	10	40	JKCB	
COc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1Br	33740062	ZPYUGADNXXFKEZ-SOPDNMILSA-N	475.412	5.437	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	34721780	GDDOUVXEPXFGNO-NFLXFJMZSA-N	457.534	5.095	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(F)c5)c4C)C(=O)N=C3S2)c1	35146448	RBKYZPUBBDPNBJ-RXODYLLRSA-N	487.560	5.240	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2	58849006	YALRVVILKYHPLU-SXDGJLEOSA-N	490.625	6.110	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1cccc(F)c1	113834303	SHQQNFLJIZQOTG-FSJBWODESA-N	489.553	6.143	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208321333	XEWZSSSKNIYHMQ-QHSFOXILSA-N	491.657	6.091	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223538000	KDFXHUVQDNSBCF-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223802464	MDUOSDKYNPMGDC-FQLXRVMXSA-N	496.680	6.682	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224301663	BUTREYHFABYUTJ-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1cccc(Cl)c1	408801627	VALJIQBSAFQXPE-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c(OCc2ccccc2)c1	408810551	JBVYQTPDNBWVIX-YBFXNURJSA-N	497.334	5.247	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3cccc(F)c3)c(Cl)c2)C1=O	408875676	GXSWPSOCQPEDJT-RGVLZGJSSA-N	483.326	5.698	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	408876888	RMXLJBYFPPXWSO-UNOMPAQXSA-N	477.508	5.227	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(C(C)(C)C)c1O	408903152	QBHUFPQGTLEXDW-GZTJUZNOSA-N	499.405	5.416	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)c1	408966699	NPRYIYCSPRYBDE-RGVLZGJSSA-N	481.980	5.335	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409003093	DGIFSHBWOXRNSP-WOJGMQOQSA-N	454.313	5.067	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	409046952	SOQVBZPPLGFYBS-YRNVUSSQSA-N	479.317	5.062	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	409143204	VXERXLUYSYJVSJ-VWLOTQADSA-N	477.651	5.597	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(CC)C2=O)ccc1OCc1ccc2ccccc2c1	409144211	JHOUBKCDLJJGEG-HSZRJFAPSA-N	451.613	5.609	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OCC(=O)N1CCCC1	409350033	SIIOINDGWNTGOM-HZHRSRAPSA-N	496.654	5.109	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(c5ccc(C)c(Cl)c5)CC4)=NC3=O)o2)cc1	2369062	UALFKTCOHGAXIK-LFVJCYFKSA-N	478.017	6.009	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1Cl	2831830	SPYLWNHCLPOHEL-LICLKQGHSA-N	485.845	6.267	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1)c1ccc([N+](=O)[O-])cc1	6475305	JFGOGUHCUWAEIJ-VBOOUTDYSA-N	461.521	6.827	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1Br	8425748	GZEWKBVVKQBMQN-DHDCSXOGSA-N	450.130	5.026	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1	8821405	LMGJKVFAHDVECU-PXLXIMEGSA-N	454.016	7.348	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C	9113123	WCPGEMKJXBVFGA-BWBREFNUSA-N	498.992	5.062	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	9293472	QTOVJWOSOAHJEV-DCAHJCEHSA-N	497.624	5.718	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	9302009	FFWPBJBHKMLRSL-SKQFIHRFSA-N	459.236	5.435	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1	9309703	XAPZVDYBBVORSU-VZHDZHPESA-N	471.561	5.518	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1OC	12275215	ZRAYVEDZIUZPFL-NDENLUEZSA-N	457.573	5.287	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2cccc3ccccc23)SC(=S)N1Cc1ccco1	12464069	HLMAAAOQXSQYSF-IWIPYMOSSA-N	457.576	6.413	10	40	JKCB	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@H]32)ccc1Cl	12628070	BPUOMXAUWVDETM-VFVRVIDISA-N	452.679	5.679	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1	13799964	XYFZDKIISFGWSB-ATVHPVEESA-N	465.427	5.922	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	20123616	USCHEGWTLRUPFS-JTMDUIFQSA-N	458.470	5.665	10	40	JKCB	
CCNc1ccc(C(O)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)c2ccccc12	31302491	ZDMVLXPCERUWIR-UHFFFAOYSA-N	495.711	7.248	10	40	JKCB	in-vitro
COc1cccc(OCCCOc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	33430219	HZJUQKJUVYLPHW-UQQQWYQISA-N	491.634	5.945	10	40	JKCB	
COc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCCN4Cc3ccccc3)C2=O)c1	33574399	XVELNLMEGYMYPZ-JLPGSUDCSA-N	467.525	5.155	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C(=O)O)o4)c(OC)c3)S2)cc1	33619450	JXTSKJRNHOGAGD-XKZIYDEJSA-N	494.525	5.047	10	40	JKCB	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	35974754	YDVDPBCNHMNVHM-ZOVHSKPQSA-N	484.470	6.183	10	40	JKCB	
O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1cn(-c2ccccc2)nc1-c1ccccc1	96759083	JJUXVNWPHYCQHV-CYVLTUHYSA-N	450.929	5.847	10	40	JKCB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@H]3C2=O)cc1	101212917	MKHNEAQWPHFKIP-XPNTWCBSSA-N	499.350	5.149	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(N(CC)CC)cc1	102649930	AAZRSLQVDVLBOU-QNLPTKCRSA-N	493.651	7.493	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2	223102216	OXLAYACVKITAJO-IZZNHLLZSA-N	474.630	5.523	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438540	PMCIRNJPVXBSAH-IAPPQJPRSA-N	484.644	6.676	10	40	JKCB	
Cc1ccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)cc1	225582190	RKKIPGYGVRPKQC-NSOVKSMOSA-N	495.652	5.490	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl	408744098	YRDZUORIHMVDAO-XGICHPGQSA-N	474.525	5.076	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	408762586	LCZDQOXHAHGZJR-UDWIEESQSA-N	482.367	5.630	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccc(Br)cc2)c1	408841290	GAHIFPZKMJIQFT-KGENOOAVSA-N	451.751	6.245	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1C	408956072	VVQAGVFTLLZDFW-ZMOGYAJESA-N	470.569	5.138	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409238003	YKGDHNPUZHNAHI-ONUIUJJFSA-N	467.956	6.512	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1[N+](=O)[O-]	409341885	CFBCNOKSNKQUKR-VIZOYTHASA-N	485.768	5.425	10	40	JKCB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O	409359886	YORBYLKLLRTDGT-LPYMAVHISA-N	495.988	5.431	10	40	JKCB	
CCOC(=O)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	8435243	VAYWOFYVTSXXCF-BVMUCEKZSA-N	476.414	6.520	10	40	JKCB	
CCOC(=O)/C(=C(/C)Nc1ccc(C)cc1)c1c(O)cc(Br)c(O)c1Br	8453897	DVTFUOQVDJMFBT-PTNGSMBKSA-N	485.172	5.337	10	40	JKCB	
Cc1ccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C\c4ccccc4F)SC3=S)s2)cc1	8819257	BORKNNUCPRHACW-DEDYPNTBSA-N	497.642	5.411	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(O)c1	8820136	DHCPZACOSUICBD-UYRXBGFRSA-N	461.008	5.446	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1	8821872	VLUDXEWUSQTHSP-HYARGMPZSA-N	481.961	6.933	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1	9076549	RLABNPZMHZUNFR-RIRGPFDCSA-N	491.591	6.178	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c2C)cc1	13777185	JBGRBRHVDDGLIT-FISJVANTSA-N	468.582	5.797	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1	13898017	AICXFSFVCWBKII-FWMAWXJYSA-N	476.602	5.571	10	40	JKCB	
CCCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1	19793905	AGVPNKMSFICBPV-UHFFFAOYSA-N	461.480	6.248	10	40	JKCB	
COc1ccc(N(C(C)=O)c2nc(/C=C3\SC(Nc4ccccc4C)=NC3=O)cs2)cc1	21362628	KVURQKQZQFIJHV-NDENLUEZSA-N	464.572	5.227	10	40	JKCB	
Cc1ccccc1/N=N/c1ccc(N[C@@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c(C)c1	27019417	CGZPQOVKQIDXOM-SLFBTFMYSA-N	468.582	6.831	10	40	JKCB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)S1	33668011	RPHVAZRYENBCHI-UUYOSTAYSA-N	457.511	5.372	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	34388749	QZXNLBYDFWHAGU-ZKNSXIRRSA-N	461.635	6.417	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccccc3C(F)(F)F)N4)sc2c1	58851206	HINAUCXAVRDZIY-FUMQJTLXSA-N	462.540	8.117	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)SC2=S)cc1	59417997	QPVQLLJMALIEOO-GHXNOFRVSA-N	475.183	5.219	10	40	JKCB	
COc1cc(/N=N\c2ccc(C(=O)N(C)C)cc2)c(C)cc1/N=N\c1c(O)nc2ccccc2c1O	104367203	QENCHULXFOFBLI-BFWJDIMNSA-N	484.516	6.496	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)cc1	224013439	ZPZJWQSHNPZFBO-CLJLJLNGSA-N	486.572	5.534	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)SC2=S)cc1	408527881	FWLPLSTVHKDJDG-KQWNVCNZSA-N	463.649	6.951	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc(C(C)(C)C)c1O	408534471	SMHOGFABEFSNRH-XQNSMLJCSA-N	475.679	7.546	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)O)nnc1-c1ccc(Cl)cc1	408633979	QOUYGBGPMLDADX-RCCKNPSSSA-N	469.010	5.745	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1OCc1ccccc1	408799885	IZLUDNCINFZPCQ-GZTJUZNOSA-N	497.334	5.247	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccc(F)cc1	408816644	UGCUDHRHYRWXMX-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1Cl	408983612	MUBCCBXCQGUWTG-WQRHYEAKSA-N	455.297	5.537	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)c1C	409000430	YDFBSVUZSIMBNO-GZTJUZNOSA-N	497.370	5.477	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409018987	ZUSWNLBSSBETBS-IMRQLAEWSA-N	498.623	5.635	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1	409042860	DBQQTZKJTOUVTF-JYRVWZFOSA-N	462.330	5.146	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	409133076	MHIWCRDGPJUMHV-MTJSOVHGSA-N	454.552	5.047	10	40	JKCB	
Cc1cc(/C=C2/C(=O)Nc3ccccc32)c(C)n1-c1ccc(N2CCOCC2)c(Br)c1	409197315	BFGPSPSQPOFJDV-KGENOOAVSA-N	478.390	5.186	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	409205743	SUWYIAOOZSWJHL-WOJGMQOQSA-N	459.390	5.665	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl	409244375	BPTVIHNLNNSHDM-RGZVIEDOSA-N	482.911	5.367	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)SC2=S)c(C)c1	409351158	ZRUFJRFSOMXLCS-WSDLNYQXSA-N	464.568	6.494	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC(F)F	409358132	KITXQNFYJPNZDE-PDGQHHTCSA-N	450.532	5.159	10	40	JKCB	
COc1cccc(-c2cc(C(F)(F)F)n3nc(-c4sccc4-n4c(C)ccc4C)cc3n2)c1	1384268	TUFJRZUGSCMMBQ-UHFFFAOYSA-N	468.504	6.560	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	2217222	UJCPHCYMFFTTPP-ZHZULCJRSA-N	451.569	5.962	10	40	JKCB	
O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1CNc1ccc(Cl)cc1	3166736	CTZIOSRTAGXELE-OQLLNIDSSA-N	486.787	5.215	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1	8914408	IYECFIUQNVYWPQ-CAUNFOBBSA-N	496.394	6.863	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	9234846	LNFNCRLXKLRKSM-BRKMNUETSA-N	484.368	5.661	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)cc(C)c4)c4ccccc34)C(=O)N=C2S1	9246305	RDFPSMSYRAULIW-IYYHIDBJSA-N	485.613	5.756	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)c(C)c1	9291867	KSBBBLGIRUJALD-OAXZUEFOSA-N	488.016	6.032	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC(=S)N1c1ccccc1C(F)(F)F	9296713	ZVEVOAQYRNAPSM-WOJGMQOQSA-N	465.905	7.025	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccccc1	12629645	UPEBOQFXVHCPPU-HAHDFKILSA-N	463.580	5.689	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1c(OCc2cccc(F)c2)ccc2ccccc12	33656524	OPHUXJHXBOWSNW-XYGWBWBKSA-N	454.526	6.640	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4c(C)cccc4C)c4ccccc34)C(=O)N=C2S1	41083434	YQWNBTPRFQKRET-UAJGQANVSA-N	499.640	6.065	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(Cl)cc3Cl)C2=O)cc1	103920896	JZARBWYYSZMHMV-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1cccc(C)c1	113833705	OOAZMZWFFGEMMG-LFVJCYFKSA-N	467.656	6.507	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223566897	XMKQOABDLRQABH-ICODJCHTSA-N	495.620	6.001	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224167521	JLDZCKQBMNVBMU-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C=C2c2ccccc2)c1	408738110	OHHHHNSJKFXQLN-HMMYKYKNSA-N	472.371	8.033	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1C	408855353	LZXNMOWMIFCYOX-MFKUBSTISA-N	497.982	5.935	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)cc1	408875492	JGIWBDZNWCVUJC-DEDYPNTBSA-N	495.760	5.360	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCc1ccc([N+](=O)[O-])cc1	408901593	GRZLOROIDACJON-HZHRSRAPSA-N	457.486	5.379	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)c1	408936972	LQKJYJUYUOZHAA-STZFKDTASA-N	460.917	5.202	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	408939531	MWMJTQJCMRCPGL-FYJGNVAPSA-N	493.332	5.609	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(=O)OC)c(Cl)c3)C2=O)cc1	408986982	UFYAXMPTWFNMQM-HMMYKYKNSA-N	459.929	5.997	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409072713	RYEVBWLGQKWUDI-JCMHNJIXSA-N	460.505	5.119	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)c1	409223517	ZUUBHNBXSDBZTC-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	409242225	VUGGGAPDBFNDAE-OGLMXYFKSA-N	495.554	5.905	10	40	JKCB	
O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1	409339069	RMQLSFZMLQQSCD-MOSHPQCFSA-N	485.011	6.805	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1F	3659130	DQZTUPVXKOBANH-OEAKJJBVSA-N	459.908	5.888	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C/c4cccc(OCc5ccccc5F)c4)C(=O)N=C3S2)cc1	8493153	LJPQQPSLGJZYOX-JRUOFFEZSA-N	470.529	5.381	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	8821363	CWAWILPFMXUIRY-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
Cc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1C	9144642	TWQCEZUMLNGYKT-NLRVBDNBSA-N	489.662	6.553	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C(=O)N=C2S1	9186754	GTNJVUOEZLQXRT-RWYGKYMDSA-N	487.585	5.148	10	40	JKCB	
O=C(c1cccs1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9307702	SWXWNVVEFFFFBP-UODIDJSMSA-N	488.568	5.459	10	40	JKCB	
CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)SC1=S	10232841	BYUIIWXCTADTRG-CIKBWMHTSA-N	466.378	5.082	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1	12285209	VZCPTHCEUZHJNX-KZVRHOHFSA-N	492.601	5.045	10	40	JKCB	
COc1c(Cl)cc(/C=C2/C(=N)N3N=C(COc4ccccc4C)SC3=NC2=O)cc1Cl	15229722	RRKXIUYDHAWBSC-NPONLRJDSA-N	475.357	5.009	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC(C)=O	16321784	CRWFLODRRVEJAU-IUXPMGMMSA-N	484.382	5.342	10	40	JKCB	
O=C1/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC(=S)N1Cc1ccccc1	20324568	IDOQYEAPHMAZJS-UNOMPAQXSA-N	458.029	6.627	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1ccccc1	26593497	ACCJFIHVWOQTOU-UQQQWYQISA-N	453.588	6.825	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c1	28580697	YSTYQEOLSFDFFH-DIBXZPPDSA-N	462.553	6.134	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	33734054	HTXBKOPOLOPRKK-PZELHZDDSA-N	493.567	6.054	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(-c4nc5ccc(C)cc5s4)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	58851218	ACXGHMZMSXHUBX-MVYHEMRASA-N	469.566	7.015	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1F	59198222	ZJIKGBHVUAAJCR-LDADJPATSA-N	482.309	5.502	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(Cl)cc4Cl)C3=O)n2)cc1	100524979	LEFFRWWFPJOQDW-PZPYUUCDSA-N	460.346	6.001	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21	208454019	ZEAASZPMQCSIOI-GZTJUZNOSA-N	484.383	5.600	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223367424	LKFRZRFRIUWVCE-LOSJGSFVSA-N	486.597	5.041	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224237478	SVXXNURUMLFVTD-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224299416	RFFKINREVMGBDK-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1	225015793	RYURWFMRAXRRFJ-DNQXCXABSA-N	451.039	6.058	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(Br)ccc1O	408589221	ZFCDHNVQRRXVGX-SXGWCWSVSA-N	482.252	5.051	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1C	408756992	LBNCNSXSHHTVND-QRVIBDJDSA-N	463.379	5.675	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)N=C2c2sc3ccccc3c2Cl)c1	408765341	VJZCDZXGBIOMQR-JJIBRWJFSA-N	479.004	7.851	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C@@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1	408774173	AQPLLVJDADZHJN-QFDNUGPTSA-N	475.614	5.433	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1ccccc1F	408872069	KAAYANNAPUAPDZ-YBFXNURJSA-N	478.907	5.053	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)c1	408875345	JRQOHFQUMRXLHY-RCCKNPSSSA-N	489.369	5.323	10	40	JKCB	
Cc1cc(C)cc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	408882218	OAWZYRVRPCUKKJ-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cccc(F)c1	408892377	YZVBTDXAWUFDPO-HYARGMPZSA-N	488.515	5.087	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)C(=O)NC2=S)cc1	408988634	FDBHUOUZLAHABJ-FOWTUZBSSA-N	477.592	5.180	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4cccc5cccnc45)o3)C(=O)NC2=S)c1	408988706	FOHCRSPCTOYTRE-XMHGGMMESA-N	471.563	5.119	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	408994368	YZQQRLRBPVBZTI-BKUYFWCQSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(CC(C)C)C3=O)c3ccccc32)cc1	409137659	XRRGUAADHKQACX-IWIPYMOSSA-N	464.656	6.276	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1ccc(F)cc1	409350037	WZOFNXKSZGDPPO-QRVIBDJDSA-N	497.638	6.541	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	409350520	RURVRZSTTNYGMY-MOSHPQCFSA-N	457.498	6.904	10	40	JKCB	
CCOc1ccccc1CN1CCCCCCCN(C(C)=O)c2ccc(N3CCOCC3)cc2C1	643563450	VSGINSMBBRKCHM-UHFFFAOYSA-N	479.665	5.241	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(Nc4ccccc4C(F)(F)F)n3)c2C)cc1	2648682	IEGMSXSHELHMRG-UHFFFAOYSA-N	471.504	6.767	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1-c1ccc(OC(F)F)cc1	3361498	HBWVCRHFQGRVJY-UHFFFAOYSA-N	461.486	5.146	10	40	JKCB	
CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)nc1C	8816385	ULXDZOHMOGRKBB-DEDYPNTBSA-N	479.533	5.152	10	40	JKCB	
CN(C)c1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1Br	9159307	DTNJJOIXCIQWCT-YXBAXSDQSA-N	488.455	5.495	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)c1	13750468	NBJJUVMLPTWQEF-JWGURIENSA-N	479.627	5.176	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1C	15980065	HTINYGOSVDZOFS-UHFFFAOYSA-N	492.315	5.113	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N12	16007594	ZSSSEMZRTYSCSG-NXCFDTQHSA-N	497.541	6.013	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3Cl)C2=O)cc1	17113113	MAKIVDPWOJGXTG-HRKXOBMBSA-N	461.949	6.210	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)cc1	33334741	FSYUPFNPUPUHQS-HYARGMPZSA-N	492.373	5.926	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)c1C	34767803	MKFQXJBGWCKAJB-OHMBLGONSA-N	499.596	5.109	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)cc1	43781685	HRNHLSMYFXVRRX-MVERNJQCSA-N	491.569	5.621	10	40	JKCB	
CCOC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)=NC1=O	51330475	XDNGEPOPBLSROL-DSYGSDIDSA-N	471.582	5.359	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)c1	58845806	LEAFDKDGCZBALE-DFIYOIEZSA-N	485.436	6.929	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58848913	HGCJPWLFDIAGDE-WZOHSFFVSA-N	466.990	5.976	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2cccc3ccccc23)C(O)=NC(=S)N1c1ccccc1F	59136432	YQBFTUADAQHIDH-CJLVFECKSA-N	482.536	6.230	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139048	MXSOESMWVBLBQE-ULJHMMPZSA-N	492.487	5.537	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1cccc(C(F)(F)F)c1	59418160	SOUKLGGOMFWTDQ-CIAFOILYSA-N	489.515	6.829	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106685082	PMLURSDBJSIBCW-FBHDLOMBSA-N	491.827	7.291	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21	208443069	PJHRSUHPTRAAOG-MTJSOVHGSA-N	465.550	5.132	10	40	JKCB	
COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c1C	222563289	KDBXEPKKJFEHJE-UHFFFAOYSA-N	464.997	5.959	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2OC)c1C	223060744	ZFKUYQIAVATJRT-BJKOFHAPSA-N	485.053	5.160	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223121993	DPSHEDUPZXMQLF-UIOOFZCWSA-N	488.657	5.581	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cc(Cl)ccc1O	223376948	LANFDFWLUHMCOR-CLJLJLNGSA-N	489.044	6.021	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223971923	CWAZYZCQUAIBCT-SXOMAYOGSA-N	481.625	5.625	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224234015	HGJQXHAYLPZSGY-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224538270	RGGGNIASPHBDEK-CLJLJLNGSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)cc2Cl)cc1	409125187	CLLRGTDAPILIER-BKUYFWCQSA-N	497.403	6.281	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)c1	409338956	RBIXKSQHYXWRGA-IDUWFGFVSA-N	461.431	6.058	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC	409343616	HWFNRVMFTSXGDY-YVLHZVERSA-N	464.406	5.489	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)o2)ccc1Cl	409344682	GJNILLHXSVOGKS-UDWIEESQSA-N	469.971	6.101	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1C(F)(F)F	8765618	VXEXYTNULOMHTJ-WJDWOHSUSA-N	454.470	5.075	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S	8821272	NDQVBOMIFWZXLV-BJLUOBIUSA-N	455.601	5.419	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1	8993779	UFQYIZVPXVSEJH-OEAKJJBVSA-N	498.025	6.342	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1	9293422	QOWBGVZRSVTNKI-VZHDZHPESA-N	471.561	5.518	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(Br)cccc4[C@@H]4C=CC[C@@H]43)cc2)cc1	9557701	YQXIDARBAXXGPW-DPLHUUCSSA-N	466.806	7.508	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)SC2=S)cc1	12274974	FGAFUVRYSJWKJW-KGENOOAVSA-N	488.461	8.002	10	40	JKCB	
CC(C)c1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	13895880	PKEIRMWBCJFBDB-XQNSMLJCSA-N	461.493	5.336	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O	14133094	RNSIZKUBFKKPAT-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793013	YQWZTCGFLUUJHC-CYBMUJFWSA-N	467.871	6.338	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Br)cc2)cc1	20288993	JZRAFRYEINIKSJ-JWGURIENSA-N	462.347	5.595	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N3)cc1	58845937	OUVOJJLWWSUPCT-DFIYOIEZSA-N	485.436	6.929	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c4ccccc34)c2C)C(O)=NC1=S	59182298	DAHMXURDWNAJHC-LDADJPATSA-N	482.403	5.497	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422842	RACYRAQVOIFPIA-WSDLNYQXSA-N	481.687	5.044	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCOC)c1C	223061120	BKGDQXCXDJJKGS-AOYPEHQESA-N	462.663	5.369	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	223387709	PPZFEUSZCLTASC-WUFINQPMSA-N	481.669	5.728	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1	223608999	YKPGNGWJUNTYLL-WWJLXRQJSA-N	473.617	5.724	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1	223857353	RDQMCYHBAFCPGP-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	224464658	FAUHHPPVLQEZBR-RPBOFIJWSA-N	493.463	6.973	10	40	JKCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1COc1cc(C)cc(C)c1C	224614186	IPNQQANCSBFTFC-UHFFFAOYSA-N	488.628	5.561	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)c1	408739379	BHXONSKOIGZJAL-PDGQHHTCSA-N	487.364	5.483	10	40	JKCB	
O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408758109	GQJPAZGQTHLWNP-UDWIEESQSA-N	455.714	6.076	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1cccc(C)c1	408799769	KWPYTQQVHMIIGE-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1	409241093	RAWRPYVJTURVCN-DEDYPNTBSA-N	478.658	5.942	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(F)cc1	409332505	PPGGPFRMPKYNHB-KSEXSDGBSA-N	495.553	5.548	10	40	JKCB	
CCOc1cccc(/C=C2\SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)c1	409369594	QIOGXJCUFWGYBN-SXGWCWSVSA-N	468.387	5.330	10	40	JKCB	
CC(C)(C)OC(=O)N1C[C@H](C=S)C[C@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21	1570001147	JQLSABPOUBLMOP-MOXGXCLJSA-N	456.608	5.690	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	1465314	YMMYDSODPQQNRW-UHFFFAOYSA-N	464.900	5.784	10	40	JKCB	
COc1ccc(OC)c(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)c1	2195611	KUMZZQHEKMYZEP-BKUYFWCQSA-N	475.570	5.091	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Br)c2)o1	2302412	OTDZQUOUJKSSEZ-GZTJUZNOSA-N	471.694	5.029	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1	2388329	GPVKNEBZXUUWKW-MTJSOVHGSA-N	467.447	5.088	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(NC3CCCCC3)nc3ccccn3c2=O)SC1=S	2823583	RTTKDIZNYMRUHI-RRMQHPPMSA-N	490.654	5.402	10	40	JKCB	
COc1ccc(-n2c(C)cc(C3(c4cc(C)n(-c5ccc(OC)cc5)c4C)CCCCC3)c2C)cc1	3177158	HEUADIAIAJTFOE-UHFFFAOYSA-N	482.668	7.769	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1	9188621	CHLMIRHWDWZIKR-QRVIBDJDSA-N	466.027	6.942	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)C(=O)N=C3S2)c1	9193158	AHYAQQAYDHKMRC-BDPOZWGGSA-N	457.534	5.209	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	9290580	ZWDRYAJUUFSYOI-CHZFGFJDSA-N	488.016	6.032	10	40	JKCB	
CC(=O)NCc1ccc(C(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)s1	9349745	IVIZUWLZGBINKR-UHFFFAOYSA-N	479.602	5.410	10	40	JKCB	
CCCN1c2ccccc2C(=C2SC(C(=O)OCC)=C(C(=O)OCC)S2)C(=S)C1(C)C	9463787	KCUACFMIWQXYLF-UHFFFAOYSA-N	477.673	5.552	10	40	JKCB	
CN(C)c1ccc(C=C(C(=O)Nc2cccc(Cl)c2)C(=O)Nc2cccc(Cl)c2)cc1	12621254	ZDTDQYFVAAKSJN-UHFFFAOYSA-N	454.357	5.720	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c(Br)c1	16284661	FLYPIIREJVHHCQ-XDHOZWIPSA-N	462.434	6.551	10	40	JKCB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(Cl)ccc2O)cc1	19325732	NDUYUHINKLBXEP-UHFFFAOYSA-N	452.982	5.470	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	23382832	FFIWQQAFGYWZQA-IWIPYMOSSA-N	461.993	6.138	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)o2)cc1Cl	27549252	DXNQZHAXLBGUNJ-MBYGRGGXSA-N	460.946	5.770	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	33781879	AAKYOXNQANWPDK-MEOLDJOHSA-N	455.971	5.175	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	107982026	CEZNCWVWJTXTOK-ZDLGFXPLSA-N	473.743	5.687	10	40	JKCB	
Cc1cc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c(C)cc1Br	138893767	WKEFOYLZUXXINM-UHFFFAOYSA-N	455.352	5.269	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	223039723	FRPQIQLIXBFVLG-PKTZIBPZSA-N	488.579	5.517	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1Cl	223536095	SVRGTOFAODJWTD-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223757499	OUQWUCKUPYHTBW-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223894350	NRQHNHQMPBWQOA-NSOVKSMOSA-N	481.669	6.041	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1C	224260445	SOOOYZQVXMFBGA-UIOOFZCWSA-N	453.615	5.678	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437825	GIIQFAYNORDKLH-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224533214	ZRBDNUSZTFPBSS-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1F	408774123	AYJXLPVXZFRWLI-DEDYPNTBSA-N	494.906	5.123	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)c1	408880172	DUEJQASGJUKTFA-YZSQISJMSA-N	478.523	5.853	10	40	JKCB	
COc1ccc(C(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1OC	408975032	ITZVHOUOFPWHTL-UHFFFAOYSA-N	459.505	6.359	10	40	JKCB	
Clc1ccccc1COc1ccc([C@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@H]23)cc1	408994902	HRDAPWWCCDVCJF-NXMSCROESA-N	491.245	8.706	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1OC	409092039	XDIHDRRGDLTDSX-LPYMAVHISA-N	494.569	5.501	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)NC2=S)c1C	409123119	DXJGUKMUCBLKEN-LFVJCYFKSA-N	479.605	5.695	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)SC(=S)N1c1ccc(F)c(Cl)c1	409184500	YOXUONFBGUKDTC-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C(=O)NC1=S	409233946	ITAPNEUGKUDPTG-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c3ccccc32)c1	409241719	UATRAYAIZGISNI-WGOQTCKBSA-N	493.632	5.953	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(Cl)c4)C3=O)c2C)cc1	409244857	JQHOYHUZIGMCBA-LPYMAVHISA-N	494.016	5.286	10	40	JKCB	
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409349419	PSOGRKAZPAAFIL-BKUYFWCQSA-N	450.541	5.941	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409352271	XLQYILNOLVRFLP-XYGWBWBKSA-N	498.585	6.733	10	40	JKCB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccccc1Br	929892	IEXIMLOUDZMBGM-QGZVFWFLSA-N	472.408	5.222	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	1421587	YJOPZLWVRWNPTM-HZHRSRAPSA-N	480.977	5.168	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1cc(Cl)cc(Cl)c1	2262600	XCTKLGDLAVMZNP-APSNUPSMSA-N	471.818	5.877	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1	2824239	QJRGGNRLJLSARJ-LICLKQGHSA-N	488.308	5.833	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1c1ccccc1	2856321	RUYMODACNLIICP-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
CC(C)(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C=C2c2ccccc2)cc1	9311294	KDSNMIADNHSKQL-FCDQGJHFSA-N	490.559	7.624	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	9427945	SDISEBFVSXTXDU-PHQOBFFQSA-N	459.521	5.413	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1	9435183	COUJJKFZDUXGDM-MHHBVAOCSA-N	484.423	5.522	10	40	JKCB	
Cc1cccc(-n2c(C)nnc2SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1	13129215	NZXNOEWATBJKCA-UHFFFAOYSA-N	474.586	5.038	10	40	JKCB	
Cc1cc(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)c(C)n1-c1ccc2c(c1)OCO2	13146272	UVIQVCBACGCXIA-UHFFFAOYSA-N	460.313	5.098	10	40	JKCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	13940737	SJCFIAZLNXWQSY-KQWNVCNZSA-N	482.026	6.512	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccccc1NCc1ccc(F)cc1	16448936	CZQUJTPJSNWXJE-CPNJWEJPSA-N	450.307	6.182	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccc3ccc4c(/N=N/c5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1	17949778	KSHFJTGUZJLPPE-LBYUQGKWSA-N	496.618	9.547	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCCc2ccc(F)cc2)cc1	20288430	CFABHFAAASFUBU-ULJHMMPZSA-N	486.572	5.301	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCCN4Cc3ccccc3)C(O)=NC2=S)cc1	33623745	DVVUYEHSNXFVQL-BWAHOGKJSA-N	497.620	5.710	10	40	JKCB	
Cc1csc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccccc2)n1	44086399	ITHGXNZLVCSNMN-UHFFFAOYSA-N	499.459	5.857	10	40	JKCB	
CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc23)SC1=S	58822156	OPHTZCZYVXZFCH-FYJGNVAPSA-N	484.440	6.402	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2	58846430	RISXSQWCYXPSGM-OUDXUNEISA-N	499.463	7.238	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3[C@H]3C=CC[C@H]32)cc1	58848147	RSIOXWBRQVRUEB-QHWMMSMNSA-N	495.044	6.674	10	40	JKCB	
CN(C)c1ccc(/C=C\c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1	71782758	SGCXBSVGZNEIJT-YPKPFQOOSA-N	454.593	8.798	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(Br)c1	103918870	XZCVRHLDEXUSAH-UYRXBGFRSA-N	455.381	5.948	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	222878760	BGICOTZBAJVHQJ-VXKWHMMOSA-N	459.446	6.178	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223103630	APRIQNSYFZRNOR-UIOOFZCWSA-N	479.093	6.756	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224335611	DHEUGVNUVNUOEM-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	224574123	SXAMJWCZTNDYPB-CLJLJLNGSA-N	469.614	5.378	10	40	JKCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1ccc(Cl)cc1	408959803	GCWJOCFRNFNQTB-ZHZULCJRSA-N	455.967	5.005	10	40	JKCB	
C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408998859	CJTDQIORPJVSQA-WNESXPETSA-N	488.588	6.539	10	40	JKCB	
CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409035260	JJVQDIOELDHYDA-VNUQYUTRSA-N	493.259	6.672	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	409041637	KFQIVNRNSNPQSB-LICLKQGHSA-N	485.298	5.378	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409060822	WGEIWFKOYVJFPG-IWIPYMOSSA-N	460.505	5.119	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	409078772	ICVCSZWPPSNTJM-VAMRJTSQSA-N	494.594	7.562	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1ccc2c(c1)OCO2	409348176	RNZUTLREVAUHCJ-DJKKODMXSA-N	476.362	6.388	10	40	JKCB	
COc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc(Br)c1OC	4164750	YTSQXCDEMAKOKZ-FQEVSTJZSA-N	466.335	5.317	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)c(OC)c1	8821365	NYPOSOZPOPKQGC-QRVIBDJDSA-N	498.025	6.342	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3cc(C)ccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9012514	YWVAKEKOPYBZNG-PKTNWEFCSA-N	477.560	5.416	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	9309685	SYNPAJUUZUCUPB-GGLRMMABSA-N	499.640	6.084	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](Cc4ccccc4)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1	13074870	HBTLACYQTVCBGB-UOIFGXKSSA-N	494.550	5.060	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1Cc1ccccc1	13881267	DHUUBOYADGVINF-HGMBWOCJSA-N	485.638	5.663	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	14415109	MOBTXQRKUDZXLP-XHPQRKPJSA-N	497.591	5.580	10	40	JKCB	
COc1ccc(CCN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccc(OC)cc2)cc1	20288592	LOOQWEJHINSEEU-BWAHOGKJSA-N	498.608	5.171	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1	32969728	GUBXMAVJHSAJRM-JKJUGIAJSA-N	456.483	5.467	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3C(C)C)C2=O)cc1Cl	33546271	LOIMVHIPQKLNGQ-JCMHNJIXSA-N	491.975	6.159	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1	33658857	IQOSLXIOKWNBFI-XKZIYDEJSA-N	479.945	6.218	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35843280	XPDSVOATPDVUNT-UODIDJSMSA-N	451.497	5.157	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418239	CLWJKBJDKNQTOX-VCHYOVAHSA-N	487.902	5.822	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223014999	IEAJBUHAJKQYBS-DHIUTWEWSA-N	455.027	5.070	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223761510	YCVDYWQBBALDFY-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c1	224831461	FBGNBVSJHIJRLJ-FTJBHMTQSA-N	485.613	5.078	10	40	JKCB	
Cc1cc(C)cc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1	408572649	HMZAXQXMMKBBDY-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)S2)cc1	408769226	PODOEOJNKGTRFB-VVNKCDPRSA-N	462.575	5.473	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)c1C	408809388	HALKYHSWWGJJPK-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2cccc(Cl)c2)c1	408813803	YOFGYVZUWDYCNE-XDHOZWIPSA-N	497.334	5.247	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1Cc1ccccc1Cl	408877014	SBRVIFGOIXYHCQ-HYARGMPZSA-N	490.943	5.005	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408891734	CHKNELMLXZONKL-XGDNCFSYSA-N	453.538	5.699	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc2ccccc12	408894644	SAQUBFHZJTXYNZ-JCMHNJIXSA-N	462.343	5.870	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(C)c1	408904889	QAKIFEOVSFMLET-HZHRSRAPSA-N	461.359	6.143	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12	408934611	BKPQQWRCGMBYJH-ZTKZIYFRSA-N	468.556	7.378	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc([N+](=O)[O-])ccc3O)C2=O)cc1	408983819	CXEBPYUCFXZSBG-QGOAFFKASA-N	462.889	5.824	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(Sc4ccccc4)o3)C2=O)cc1C	408995940	FVQPNXBWBDTGHR-WOJGMQOQSA-N	497.370	5.477	10	40	JKCB	
CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409003164	RJSRPMVTTSIAML-GPRVPVMCSA-N	464.591	5.742	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409057074	TVNMVQVKLQOQCC-UCQKPKSFSA-N	490.987	5.942	10	40	JKCB	
Cc1ccc(/N=N\c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1	409290884	VKROFTSSNDRLLK-GOSMGCKZSA-N	469.544	6.807	10	40	JKCB	
C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nc4c5ccccc5c5ccccc5c4nc3c1)C2	409337150	YECDIMMDWXEDEJ-UFYCRDLUSA-N	491.660	7.510	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)cc1	409347335	PQFUSYFIMGICOA-NDENLUEZSA-N	484.986	5.770	10	40	JKCB	
CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	2671713	RZDFMYTYUSOUQU-KQWNVCNZSA-N	493.654	5.484	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)c1	4092036	UWCXLVCBEYHQAE-LPYMAVHISA-N	491.525	5.025	10	40	JKCB	
CCOC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	8435244	VAYWOFYVTSXXCF-NEMUNFNQSA-N	476.414	6.520	10	40	JKCB	
Cc1ccc(-c2nc(COC(=O)c3ccc4c(c3[N+](=O)[O-])C(=O)c3ccccc3C4=O)cs2)cc1	9671306	VQXGTBFJQHOLNK-UHFFFAOYSA-N	484.489	5.159	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c(C)c1	26712478	VQRGLDNBDDSQLG-ZJRBDENDSA-N	476.602	5.427	10	40	JKCB	
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	26965793	UDDOTCLBHVGOAE-VWEQIBBSSA-N	457.576	5.707	10	40	JKCB	
O=C(O)c1ccc(Cn2cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c3ccccc32)o1	33717442	CKYKQRIPGJQZDH-MTJSOVHGSA-N	460.536	5.387	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1	41108142	FYEKRFPCNSYNTE-OSZNWEDFSA-N	471.498	5.139	10	40	JKCB	
CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	104145303	IWDPBOKFJVLFSH-SSEXGKCCSA-N	479.624	6.788	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	224400144	DDFCKMTYSNAOKX-LOSJGSFVSA-N	477.008	6.459	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccn1	224862704	JUUMPLLGOVMLAT-ZEQRLZLVSA-N	476.005	5.420	10	40	JKCB	
CC(=O)Oc1c(Cl)cc(Br)cc1/C=C1/C=C(c2ccc(Cl)cc2)OC1=O	408741394	IPRGJGMRVRHGCM-MLPAPPSSSA-N	454.103	5.663	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C2=O)cc1	408799871	IUUSKKWYRSLKGO-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2Cl)cc1	408805787	LPZSFHKPQNVSOB-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N(c3ccccc3)C2=S)cc1C	408961315	RJZDDHCFTKORKB-DIBXZPPDSA-N	495.648	5.960	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022120	FIPZWHSRZBPJSS-JLPGSUDCSA-N	459.929	5.796	10	40	JKCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O	409220617	CHZHRIBVFCFBMU-YZSQISJMSA-N	492.579	5.092	10	40	JKCB	
O=C1N=C(N2CCCC2)S/C1=C(/C=C(\CC(=O)c1ccccc1)c1ccccc1)c1ccccc1	2146315	DOLSGHRNPZEHEC-JKWYUJKRSA-N	478.617	6.480	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	8821267	ZCCOYWAHZAKQLP-IWIPYMOSSA-N	459.592	6.182	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1OC	8821480	PHILYAPYXCUNHT-HYARGMPZSA-N	496.566	5.316	10	40	JKCB	
O=C1/C(=C2\SC(=S)N(c3ccccc3Cl)C2=O)SC(=S)N1c1ccccc1Cl	8870046	QVYRXSKKEVMNJO-BUHFOSPRSA-N	483.448	5.635	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1C	9805842	OSMCVHAXQFEUDY-OEAKJJBVSA-N	483.568	5.277	10	40	JKCB	
COC(=O)c1ccc2c(c1C)N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21	12468765	WKTQCASQGHUYKH-WHSLLNHNSA-N	458.352	5.388	10	40	JKCB	
Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1	13477740	VNNUBGDQEYUINX-UHFFFAOYSA-N	474.516	5.583	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	14480436	RDPMYCYOWHTTNY-BXTSTYNKSA-N	474.626	6.329	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	31842154	AHEGSMIQKPWDKY-VGLNWYAGSA-N	465.456	6.270	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	37014450	KQMBSNLZWDMWEO-KQRQPNSISA-N	453.673	6.950	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58846157	FKDOMOWJQGPEBG-VVZHRXSXSA-N	475.570	5.785	10	40	JKCB	
COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCCC2)cc(O)c1O	95473599	IZNUWEBNRJSTQQ-UHFFFAOYSA-N	461.474	5.334	10	40	JKCB	
[O-]/[N+](=N/c1ccc(Br)cc1)c1ccc(/N=N\c2ccc(Br)cc2)cc1	100368368	AKCJTJLJVIEARH-KATZTRTISA-N	460.129	7.553	10	40	JKCB	
Cc1cc2c(cc1C)N[C@@H](c1cc(/N=N/c3ccccc3)ccc1O)C1=C(O)CC(C)(C)CC1=N2	102526878	KBNLCSMEEQIDFG-JAVXYERYSA-N	466.585	8.296	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4cccc5ccccc45)C3=O)c3ccccc32)cc1	113838317	ZQTLODMWCNJCIV-OGLMXYFKSA-N	490.653	7.557	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1C	208219511	RSBVYABNYCXRIE-QRAWFLTRSA-N	477.630	5.700	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccccc1F	223459771	CZAACFCQLXYFAH-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223787630	OUGJGGMCNHRKDD-SVBPBHIXSA-N	484.669	6.289	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223795878	YOHLIGBPUHPNTE-VSGBNLITSA-N	482.653	6.373	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223964470	FSMVCWBRQRARJQ-IZZNHLLZSA-N	482.613	5.020	10	40	JKCB	
Cc1cccc(NC(=O)CCN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1	225657356	ZCQVXNOCNVOYLI-IZLXSDGUSA-N	495.652	5.490	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccccc1	408573835	KWRQKXOIPFSWHT-STZFKDTASA-N	464.543	5.249	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1Cl	408758946	VGBFNEJDYVHCNV-LDADJPATSA-N	482.363	6.491	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	408967046	OXYOZUPJAXQDPC-UCQKPKSFSA-N	450.991	6.546	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	409017962	KIZYAJDOIVETNU-ZSOIEALJSA-N	452.721	5.533	10	40	JKCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1	409019034	OLRMIWHRXLXIOJ-GZTJUZNOSA-N	458.923	5.358	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409020552	QKGWEPABGRSDSI-QQXSKIMKSA-N	468.597	6.205	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409059362	WTGDAKDHDGBYIV-HMAPJEAMSA-N	476.960	5.633	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC	409350569	RYTLOJZXRCBEFO-GHOUAXAESA-N	464.008	5.940	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	1008126	QMXRLEULQOKYBQ-XKZIYDEJSA-N	463.534	5.217	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)SC2=S)cc1	1912438	FUCFSYKGXNWWFR-JCMHNJIXSA-N	461.564	5.458	10	40	JKCB	
CCOC(=O)[C@@H]1CCCN(c2cc(Nc3ccc(C)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1	2303313	SGWXUOKKXRAYNJ-GOSISDBHSA-N	481.552	5.871	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc4cc(C)c5ccccc5n34)c2C)cc1	3267162	UMJBZKOCHQODNT-UHFFFAOYSA-N	470.598	5.972	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	9282623	ITTSIDHLYKODKO-HCNNPVLLSA-N	455.971	5.175	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCCOc1ccc(C)cc1	9805345	GOJBANNNKXVKPL-JLPGSUDCSA-N	495.597	6.006	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	12629908	WSZIGHCIPKJXTR-YPCDYVTLSA-N	452.450	8.421	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C)C3)c(C)n1-c1ccc2c(c1)OCO2	13141967	BGFRURCSXCDWQS-KRWDZBQOSA-N	496.563	5.536	10	40	JKCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	14010588	YSQJJVGWXAHNLQ-WKRCLWGVSA-N	489.399	5.253	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	16525428	KBJWSFGGLYRXJQ-LPYMAVHISA-N	490.346	5.663	10	40	JKCB	
COc1ccc(-c2coc3c(CN4CCCC[C@H]4c4cccnc4)c(O)ccc3c2=O)cc1OC	20761617	IBKPSVLFMZANJP-QHCPKHFHSA-N	472.541	5.305	10	40	JKCB	biogenic
Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c(C)n1-c1cccc(C(C)C)c1	32928355	KMSWXOHIWALYDK-UHFFFAOYSA-N	487.600	5.437	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	35040035	BFXVZRRFJTZSKU-MTJSOVHGSA-N	464.524	5.772	10	40	JKCB	
O=C1N=C(O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)N1c1ccc(Br)cc1	59198126	IXLPALHLBOQVAG-HMAPJEAMSA-N	471.310	6.262	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)ccc1O	59484906	ASRLZIKKRJULEB-JJIBRWJFSA-N	492.531	5.836	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)cc1	107897255	RQLPXIZHKNYMRP-ATVHPVEESA-N	471.365	5.647	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)S2)cc1C	208242670	NPKPYHGTSHFCBZ-VBHHZLGVSA-N	454.039	6.761	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccccc1C(F)(F)F	223266266	LVKLBVZZNNFCBM-XZOQPEGZSA-N	487.595	5.042	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C2=O)cc1C	223559133	KILWEOZARHSDQV-IXOWOOARSA-N	459.590	5.470	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1	224320573	PQKVNTXZPYUFHW-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224535831	JAFKYPWXAJPBGP-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C	224565155	GBCLYMAJDSZWHI-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1cc(C)cc(Cc2ccccc2C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1	408871490	ZCELMAOHHGXIGH-UHFFFAOYSA-N	486.571	6.478	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1Cc1cccc(F)c1	408873531	VMAFHNCYIOJEPZ-KEBDBYFISA-N	499.325	5.398	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)c1	409016048	BEXRQYDRHIWWEW-LDADJPATSA-N	454.960	5.528	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409019686	VXMAWVXSZSNQMM-HMAPJEAMSA-N	494.374	6.450	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C	409020371	OPYIRHJBJIPZKH-UUYOSTAYSA-N	485.422	5.575	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409023868	LGTMGFJWXNOSRT-NVMNQCDNSA-N	488.371	5.371	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409062034	MEPZMKCDKFQYCU-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1C	409123614	HQQATCATNVDMSL-OEAKJJBVSA-N	466.603	5.806	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccccc3Cl)c12	409129524	GTRJYSHTWYRWGS-QRVIBDJDSA-N	493.053	6.900	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)c1C	409132765	RCPZJDHYVONCMB-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)SC2=S)c1	409203507	WSVORIOZJVYFIY-OGLMXYFKSA-N	490.653	7.557	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c(C)n1-c1ccccc1F	409231459	JEELOXIQQNEPES-SRZZPIQSSA-N	467.497	5.047	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)NC2=S)cc1	409245696	XRLLBEGIOHLRNH-XDHOZWIPSA-N	485.392	6.208	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@@H](C)CC	409339796	YNGRPRFSJBAKSG-GQFJFNLSSA-N	458.561	5.577	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc(Cl)cc1Cl	409342965	GCWZZVHPBBFQEY-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1O[C@@H](C)CC	409343488	HGBYDARGYLAYFF-SVTVQYSDSA-N	463.624	6.822	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/Nc3ncc(Cc4ccc(Cl)cc4Cl)s3)SC2=S)cc1	618254946	KNJBGVULNRJWGQ-WQRHYEAKSA-N	492.478	6.667	10	40	JKCB	
O=C(COc1ccc(Cl)cc1Cl)N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S	670416558	JFSRVQPIYQQSHX-PJQLUOCWSA-N	493.220	6.107	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1c1ccccc1	3097598	QECMIAGJDCFWLY-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)c2C)cc1	3396322	TWUNYEFIXKRMEF-UHFFFAOYSA-N	499.514	6.275	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Br	8820429	DNYLCDDICNEYGL-YKYHQJSKSA-N	473.417	5.235	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)N=C2S1	9293381	NQEXMJKUCQQDJV-CGUYEQRQSA-N	474.417	6.210	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9311770	GVJGAQPTKZQTFY-RGVLZGJSSA-N	476.520	6.658	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009591	CDJGYNHCRMJCBG-SAHIIKMKSA-N	458.533	5.667	10	40	JKCB	
COc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1	19596414	ZTUCLIOXFQERGZ-CQSZACIVSA-N	463.452	5.693	10	40	JKCB	biogenic
CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1	35042582	DPCWXWGKOQIQLQ-NLRVBDNBSA-N	456.611	6.999	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=N)N4N=C(c5ccco5)SC4=NC3=O)c3ccccc32)cc1	41076785	YYOYWAWJCLCJCR-NHQDZBNKSA-N	495.564	5.289	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	224169188	NVUZZBYYBZYCED-RPBOFIJWSA-N	493.463	6.973	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	225059748	WULHTSCONJBOJR-IZLXSDGUSA-N	497.668	5.664	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	408801409	AOQYPBBNGQHPCX-LDADJPATSA-N	485.298	5.378	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C	408807130	OGYFWYHQRKQLAJ-LPYMAVHISA-N	495.362	5.856	10	40	JKCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C	408871158	XYQBWKQLWYBVHU-UHFFFAOYSA-N	490.943	5.719	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(C(F)(F)F)=NN1c1ccccc1	408973202	XKDOCNLYAXAZGV-STZFKDTASA-N	456.851	6.268	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	409055561	ZLIJHNVOOSXULW-HMAPJEAMSA-N	481.505	5.257	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409062733	ZYXZSFGYKBVAOF-FIOJILPZSA-N	468.597	6.145	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)c1	409222883	YAWXDHXASMNNLV-LDADJPATSA-N	481.371	5.157	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(=O)NC2=S)cc1Cl	409244345	BHZDWARENYHWCN-DEDYPNTBSA-N	464.999	5.631	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)cc2)cc1	409353018	ZZCAYYPVNOPOBT-HYARGMPZSA-N	493.631	6.042	10	40	JKCB	
CCOC(=O)c1c(C)oc2cc(Br)c3oc(=O)c(-c4nc5ccccc5o4)cc3c12	1099033	ZPEFAYFIAPQBKE-UHFFFAOYSA-N	468.259	5.595	10	40	JKCB	biogenic
O=C1/C(=C/c2ccco2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	1476362	PHXFDTRIOJIZBU-MOSHPQCFSA-N	499.038	6.354	10	40	JKCB	
O=C(c1ccccc1F)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2446886	BDTCVXJRLRWAQT-NLDZOOGBSA-N	499.541	6.142	10	40	JKCB	
Cc1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3305007	PXMUBEPUHXFXRY-UHFFFAOYSA-N	490.881	6.738	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1	8821483	AYYFHHHMCGVKBV-PXLXIMEGSA-N	464.568	6.603	10	40	JKCB	
O=C(O)CCSc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O	8870799	CEXOZTDCFRDYOU-UHFFFAOYSA-N	453.541	5.066	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1	8964909	VUKJILLDBZDVEJ-UJFCCYPUSA-N	474.689	6.564	10	40	JKCB	biogenic
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	9294945	JQMUSYJHZWRCIS-OEAKJJBVSA-N	492.578	5.584	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc1	12032443	OXHMYFUHOYLYIW-CIAFOILYSA-N	454.661	5.061	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\S[C@@]3(NC2=O)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1	15057182	NXFJHCMRBOPZPS-CNMFJUKFSA-N	496.636	5.592	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1F	15230892	NTBZKZAXAUIHPM-MOSHPQCFSA-N	453.564	5.346	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc21	208471964	DUPAHHVYIGMOIW-JMIUGGIZSA-N	458.414	6.708	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222875269	POFWFXZLINXPEM-FCHUYYIVSA-N	469.452	5.634	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F	223095499	WRWVQIPQTKFJNU-DQEYMECFSA-N	498.618	6.813	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c(C)c1	224170953	GHYDZTBCQXKIEL-XCZPVHLTSA-N	466.654	6.592	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224301375	QUIIVMQEXNECAD-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc2ccccc12	224397097	IGBPBCZIGJZBFI-FQLXRVMXSA-N	492.623	6.959	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)ccc1F	224898928	JWFSEBUFPUCRBB-CLJLJLNGSA-N	474.580	6.253	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408786631	UEUCCNWLQBPHLG-OEAKJJBVSA-N	475.976	5.711	10	40	JKCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1	408870071	VCCNYYUYAODERN-FYJGNVAPSA-N	479.363	5.867	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)cc1Cl	408881746	KHPPQPWZHWBSRF-LFVJCYFKSA-N	498.941	6.198	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1C	408916652	FPXBJTBOEPRSTC-SSDVNMTOSA-N	497.960	5.901	10	40	JKCB	
Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1	408963928	BFPIGAUBNXVQNX-ITYLOYPMSA-N	488.653	6.815	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(C(=O)OC)=C2C)cc1	409021304	AOLLLYVNZTXNPH-UQQQWYQISA-N	499.563	5.550	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c(Br)cc1O	409034812	OFYCCVLRYNFDAC-RUDMXATFSA-N	491.210	5.055	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)SC1=S	409377808	KYTFXVYUKBWYCD-NDENLUEZSA-N	474.434	6.947	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	2626753	DVBBFPXHPPGWEL-HWRSSNJWSA-N	490.431	5.720	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1-c1cccc(F)c1	2679180	YRXGSZLJOOBTJF-UHFFFAOYSA-N	451.592	6.092	10	40	JKCB	
CN(C)c1ccc(/C=C/c2nc(Nc3nc4ccccc4o3)nc(-c3ccccc3O)n2)cc1	9668972	HGZJYGMMWHYTRZ-DTQAZKPQSA-N	450.502	5.365	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	13165702	VDYHSVFRMDESCF-NFLXFJMZSA-N	458.974	6.052	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)C(=O)N1	26963391	FYHLPZYUSGXCKZ-UHFFFAOYSA-N	461.282	5.017	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1	32594722	PGZOWVWCDDSXPW-AUAXKSBWSA-N	473.985	6.170	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	33691812	KWIBKULNHVZWJD-VKPUNFQASA-N	465.538	5.508	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c(C)c1	33692556	KFMUHZREBIVZQK-LFVJCYFKSA-N	497.551	5.823	10	40	JKCB	
N=C1/C(=C\c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	33850015	MKQAGQXNZRLPML-SREDRKHISA-N	490.928	5.014	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O	41108830	GMHAEMJNAKAGIL-RJDQKLELSA-N	462.509	5.603	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58845773	QSMLJGMMTOSOQH-OUDXUNEISA-N	460.555	5.351	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484771	RGIMLEAJYGYUHY-JJIBRWJFSA-N	477.476	5.640	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)c2ccc(OC)cc2OC)cc1	59569648	DCXHUDGOYLHMAO-INOCPDNRSA-N	466.622	5.059	10	40	JKCB	biogenic
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1Cl	223271704	WGVJBIWWNZKCEJ-XZOQPEGZSA-N	488.488	5.330	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223824636	HSZKOEQOZBICNL-FTJBHMTQSA-N	483.641	5.768	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223856703	LQJZNEXSKKYHEJ-RRPNLBNLSA-N	468.626	5.934	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Cl	223857796	XUNUQLSAMWVBGM-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223982061	MXNLJWLCAAIOQQ-SVBPBHIXSA-N	496.640	5.328	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	224399849	RONMSCUPNDVGAZ-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C)c1C	224565047	ZYHGOOQWQQQPGR-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224609646	BFDLIHBOOMKFNR-LOSJGSFVSA-N	455.587	5.075	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1NC(=O)C(C)C	260746347	WJRKZFDXXSQBLR-OALUTQOASA-N	489.707	5.279	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408772379	LHMJANYRIVYYAI-OEAKJJBVSA-N	459.521	5.197	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1	408887959	VKCHRTDTIHOPHS-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c(Br)c1	408970011	YOELHLRDTQSYFG-ATVHPVEESA-N	475.264	6.366	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409136035	WAWXLKQRADBEGJ-RRAHZORUSA-N	484.665	7.421	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409201209	KPAYREAJUDWAOO-WSDLNYQXSA-N	495.582	5.138	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1C	409209263	FATVGQWNDCXGHS-WSDLNYQXSA-N	480.973	6.083	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409229909	AVRQDHGHMOLRRD-HYARGMPZSA-N	463.921	5.022	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccccc1	409339078	DUVSOCRQIQQDIM-HAHDFKILSA-N	492.578	5.978	10	40	JKCB	
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1c(F)cc(F)cc1Br	1010385	GTOJHDOMTUFEDK-UHFFFAOYSA-N	493.289	5.163	10	40	JKCB	
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(Cl)cc2Cl)cc1OC	2289959	ZZUMIBFKMDXFFV-UHFFFAOYSA-N	480.369	5.351	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1	2965117	FYWDNWATWOXDCG-HMAPJEAMSA-N	482.026	6.329	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3296252	AJABSLBJHIYATA-ONNFQVAWSA-N	494.321	6.442	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccc2c(c1)OCO2	3390192	SLHYZMDYDZJGEA-AWEZNQCLSA-N	451.544	5.049	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c(Br)cc1O	3769242	JZUQNMZPYSOQTK-VCHYOVAHSA-N	479.421	5.025	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OCc1ccccc1	6906960	SWGJZMPXZABMBS-DEDYPNTBSA-N	462.889	5.434	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	8450645	QWFFMOURVNOMBD-RTBHRAJNSA-N	485.413	5.294	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9193196	YWHAQGWJQVJSGF-SDGGQIDFSA-N	477.952	5.554	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)cc1	9232555	CVDQPTKFXDQSDP-HZHRSRAPSA-N	464.587	5.877	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1	9323978	PABFNVIIBHBIPH-FMCGGJTJSA-N	494.513	5.840	10	40	JKCB	
Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	13713141	MBNJLBDXEDGOHR-JVWAILMASA-N	495.579	5.583	10	40	JKCB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(N(CC)CC)cc4)[C@H]3C2=O)cc1	13777437	SDFGADUTZMUCIW-PKTNWEFCSA-N	499.611	5.373	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)SC1=S	27018228	FCPJCWZAWGFRHC-IWIPYMOSSA-N	469.635	6.550	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl	40006255	NSRHJHUQBNQTEY-IWIPYMOSSA-N	496.053	6.719	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)cc(C)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58846667	HZHHADQLTJGUHO-JWZKTCGFSA-N	490.625	5.948	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1OC	58849509	DXCQJMHBMOFNDA-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=C2/SC(=S)NC2=O)cc1	113831043	XGROESSROCBWAU-CPNJWEJPSA-N	492.460	5.693	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1	113833272	DVPFBBLFQUVPRO-DEDYPNTBSA-N	453.361	6.098	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)cc1OC	136485252	YRPCAKRNCGPZLF-SJWFJVLYSA-N	495.826	6.371	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc3ccccc23)c1C	223049982	PNAHDLIINAQWCX-RRPNLBNLSA-N	470.642	5.651	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c(C)c1	223102376	ZHNCHZWGSGRELR-IXCJQBJRSA-N	472.702	6.720	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223121935	DPSHEDUPZXMQLF-IZZNHLLZSA-N	488.657	5.581	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223312931	MRNQGEBYJCQDGU-MZBJOSPHSA-N	460.647	5.257	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1	223496866	LAUSHCREUWONFL-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223502344	XUIMQFCBXIYMLV-IZZNHLLZSA-N	488.060	6.019	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C	223566372	DXIZWIMHAVZWKV-PVFDWLMNSA-N	477.630	5.862	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	224169531	SANKVNYTCUNPNO-DQEYMECFSA-N	493.463	6.973	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224269543	MIHFQZFKSUVWRO-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc2ccccc12	224600315	QUWZBAQTIGKICF-FQLXRVMXSA-N	490.632	6.525	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2Br)cc1	408757855	DIUQJNKINCIMHE-KGENOOAVSA-N	462.303	5.500	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(C(=O)O)ccc3Cl)C2=O)cc1OC	408759421	DRTJIYUPJNSBSQ-WOJGMQOQSA-N	496.346	6.180	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C1=O	408815715	UENKOORHCWNLOB-JJIBRWJFSA-N	462.505	5.394	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2cccc(C)c2)cc1	408844607	OYGBJJYKPGLXSN-XQNSMLJCSA-N	461.359	5.991	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1	408968717	BTEWEHAAIRUBGP-ATVHPVEESA-N	457.364	5.212	10	40	JKCB	
O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(I)cc1	408986668	SEYYOPOMYFLHNN-NBVRZTHBSA-N	483.736	6.416	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCc2ccccc2Cl)=N1	408987222	FDULNLLYBYZGPU-VWLOTQADSA-N	491.060	6.252	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)NC2=S)c(C)c1	409136099	RZBXVDGQWJNUMB-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O	409335751	ZFIHUBMXIAVSHR-CXUHLZMHSA-N	452.420	5.585	10	40	JKCB	
CCCCN1C(=O)/C(=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S	2197555	XZZHRHGONAFNDR-LGMDPLHJSA-N	471.991	5.142	10	40	JKCB	
COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	2454371	LLHHOLOFRVTWOU-UPRLRBBYSA-N	493.559	5.035	10	40	JKCB	
Cc1cc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)cc2)c(C)cc1N	4523167	BETDIULUXNWVLT-JWTBXLROSA-N	465.513	7.787	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)c1	8821529	HFLQPJGBWJHZQK-RGVLZGJSSA-N	484.942	6.117	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9291519	FHKQNMZXIHOBGM-GGILCJMTSA-N	469.851	5.068	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccccc1C(F)(F)F	9296725	FEGYWDLYJKZXON-WOJGMQOQSA-N	499.457	7.390	10	40	JKCB	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	12418431	XYHKYEBAJQBIPV-WTOJCKNJSA-N	455.179	6.600	10	40	JKCB	
Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\CCn3c2nc2ccc(Cl)cc2c3=O)c1	13069714	UETUSMFGLDORIG-HMMYKYKNSA-N	464.956	6.155	10	40	JKCB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)cc1	13805827	MKHNEAQWPHFKIP-FUDKSRODSA-N	499.350	5.149	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@@H]3C=CC[C@@H]32)c1	14166062	FDTUABQPSHVWGC-DXBVXKBHSA-N	460.599	5.939	10	40	JKCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccccc3Sc3ccccc3)C2=O)cc1	20288279	ZNFGCKDOKAGKFI-HFTWOUSFSA-N	491.616	6.983	10	40	JKCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	33405594	SLLPUBHCJBGOCQ-CDLVGDAQSA-N	464.403	5.341	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58847980	JGXRLTUZHPWEIO-GNBJCERTSA-N	495.000	6.004	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cccc(Br)c1	59135306	VTSVVFFJGSEYOO-RGVLZGJSSA-N	482.309	5.502	10	40	JKCB	
Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1Cl	95472772	JYIJSRBLSWDFHS-UHFFFAOYSA-N	451.866	5.589	10	40	JKCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	100324047	LRLFETBRZNBLKO-PXLXIMEGSA-N	475.932	6.414	10	40	JKCB	
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1nc2ccc(Cl)cc2s1	101122263	GHINTHQTLKEYCP-NTEUORMPSA-N	494.745	5.273	10	40	JKCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12	103918485	WTCIVEBTYXCKJR-JLPGSUDCSA-N	450.970	5.439	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C	208305860	TYGNCPVAFVYQLI-NXUSMQHESA-N	481.593	5.613	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc2[C@H](C)CC1(C)C	208309282	YLXSMYPHPPHMQB-RFRKOGIWSA-N	486.399	5.772	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222925812	FSCADFKNRZENDN-BJKOFHAPSA-N	453.055	6.079	10	40	JKCB	
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1N1CCCC1=O	225671185	IJJDGTISOXNOAP-QUCCMNQESA-N	450.652	5.406	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21	260924191	RYVFFLDGBQGHAH-LOSJGSFVSA-N	475.061	6.544	10	40	JKCB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc(Br)cc3Cl)C2=O)ccc1Cl	408534201	VHSRZESEEGJUMR-LCYFTJDESA-N	455.139	5.483	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)c(C)c1	408575460	OKGNTSKDOPZCBC-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c(C)c1	408645012	UEXLTTHNDMZTNO-JOCHJYFZSA-N	450.538	6.241	10	40	JKCB	
CCOc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccc(Cl)cc1	408736500	WSEGVQKNFMQJSG-VHSZZVNMSA-N	466.408	7.798	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1	408804972	HXISEVURGWYFKA-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)cc1	408810920	VAWBUKCUJWXYET-KOEQRZSOSA-N	478.504	5.094	10	40	JKCB	
CCOc1cc([C@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@H]23)ccc1OCc1ccccc1	408860581	ZDLLJMQOXKMFCG-AWVRMFGXSA-N	455.554	6.497	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Cc3cccc(F)c3)C2=O)c1	408869048	QLGGSNKPASZSOO-HYARGMPZSA-N	493.332	5.154	10	40	JKCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O)Nc1cccc(C(F)(F)F)c1	408876508	LQCOLXRGOQWQGS-MOSHPQCFSA-N	489.519	5.371	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccccc3Cl)c2)C1=O	408933839	BOGUHOLYNUWBNX-NDENLUEZSA-N	481.335	5.547	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(Cl)cc1	408935047	CDANCMBEYNLGJV-HYARGMPZSA-N	460.917	5.370	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N(c2ccccc2)C1=S	409017201	XSLKOIZPPGXGFN-KOEQRZSOSA-N	497.595	5.782	10	40	JKCB	
O=C1/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC(=S)N1c1ccc(Cl)cc1Cl	409345403	LTFWHQLCJMDZOT-VCHYOVAHSA-N	496.397	5.144	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CCCC5)c2C)cc1	719355	GUNLEOZPPAJHPD-UHFFFAOYSA-N	463.628	5.961	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	1243011	VNRUBAYQKJQWMW-XKZIYDEJSA-N	473.891	5.353	10	40	JKCB	
CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(Cl)c(Cl)c1	2189130	FMEQBRHMGCAQLG-XMMPIXPASA-N	453.373	5.987	10	40	JKCB	
O=C1/C(=C\c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccc(F)cc2)N1c1ccccc1	3766464	DTFTWOQXYKZKDN-OAANICDFSA-N	472.519	6.298	10	40	JKCB	
Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(-n4c(C)ccc4C)cc3)c3ccccc32)cc1	4124730	CAGJQPNQUDIGST-PMERELPUSA-N	464.565	5.410	10	40	JKCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3C)C2=O)cc1	8820070	ZVSSVWBSSUVGQZ-JWGURIENSA-N	496.654	5.490	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)ccc3OCCOc3ccccc3)SC2=S)c1	8916212	ULWDNQCOTCJHSP-ULJHMMPZSA-N	461.608	6.167	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccc(F)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9010092	ZYIITSFJYWTWLV-PVHODMMVSA-N	481.523	5.247	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9159567	NDRANGCRCSUIJM-PVHODMMVSA-N	463.533	5.108	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	9477927	JYBCTTGGQDFZBT-XLNZFTOWSA-N	470.783	7.693	10	40	JKCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S	10232799	IKJDNVCADYHHGG-JQFNYASXSA-N	460.533	5.008	10	40	JKCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	12468732	HJWIDERNYPGKRI-BIENJYKASA-N	461.312	5.210	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1Br	27519469	ATGBBTBCQIHMQR-HZHRSRAPSA-N	482.377	7.082	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(O)=NC2=S)c1	33304437	WEJFVFNDRUODML-NDENLUEZSA-N	474.498	5.071	10	40	JKCB	
Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2Cc2ccccc2)no1	44086376	UVRUHBSJXNTPMJ-UHFFFAOYSA-N	473.385	5.932	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58846473	SIWMTXUIKYYELV-UNVFRBQDSA-N	475.570	5.839	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	58846979	IXYWGDGNTLQOHG-XLNZFTOWSA-N	499.405	6.216	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccc(F)cc1	103347294	JIESEISPMTYPKT-NDENLUEZSA-N	469.946	6.104	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)SC1=S	107675835	GPCQMVKQQCCQLX-YVLHZVERSA-N	464.952	5.057	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc21	208443621	VEZIFAXIAQOSNS-QRVIBDJDSA-N	475.614	5.610	10	40	JKCB	
Cc1cc(C(F)(F)F)c2c(N)c(C(=O)OC3CCN(C(=O)Nc4ccccc4)CC3)sc2n1	215745139	QZPXPLYVEHOAAT-UHFFFAOYSA-N	478.496	5.059	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccccc1Cl	224165641	XTDAIRHUWLKRPE-JWQCQUIFSA-N	459.018	6.320	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224467813	YLSCORPDXCGRLY-VPUSJEBWSA-N	487.072	6.936	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224602024	HWPBHEMMAHJFFZ-SXOMAYOGSA-N	468.626	5.934	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)c1	224837571	VREXMPXXURUYMQ-WUFINQPMSA-N	498.652	5.992	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)ccc1F	224897632	DPOIJDKSZRSZPV-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
CC1CCN(c2ccc([C@H](C)NC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)CC1	225586834	KIYYQPORMDHHBZ-FQEVSTJZSA-N	472.048	5.805	10	40	JKCB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1	408647085	RQZBMEAPWBYTMD-UHFFFAOYSA-N	475.770	5.614	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1	408762668	QBUHTKLQOWAYBH-UDWIEESQSA-N	472.169	6.590	10	40	JKCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408874094	YNPKFOUTICMGTJ-UNOMPAQXSA-N	460.496	5.442	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)c(C)c1	408894531	IMIXSBBYYKJQCS-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408931778	QDPHCRRJLAMSIS-IWIPYMOSSA-N	461.993	6.138	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC(C)C)C2=O)cc1C	409046230	JJJYREBAURJVRK-GIJQJNRQSA-N	461.345	5.311	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br	409125663	DRTBUCGPFINZBV-CPNJWEJPSA-N	451.430	5.912	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(OCc2ccccc2)c1	409334431	XUBVXWLZXLCCCT-MYYYXRDXSA-N	492.641	6.657	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)SC2=S)c1	409338908	QPFPXJYJDDWMCA-CFRMEGHHSA-N	490.650	6.956	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S	409367660	CVNHVTSCXORZLM-FRKPEAEDSA-N	463.371	5.413	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)c3ccccc32)cc1	1140345	DTGWGPWVNAIYEY-OEAKJJBVSA-N	469.541	5.809	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(Cl)cc2)C1=O)=C\c1ccccc1	8833883	UWIJNNSIMRLWAL-GEZYKDBCSA-N	457.020	5.906	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)C(=O)N=C2S1	9057091	DHPNROPIMIGHHM-GOUSHSFNSA-N	473.385	5.848	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	9309603	RBNOTZJLFOZBLT-DMNVVODESA-N	459.600	5.577	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCCCC2)c1O	11869522	TYROJZKDGOTFRY-UHFFFAOYSA-N	459.590	5.724	10	40	JKCB	biogenic
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S	12629165	YESOTEKPKRXLBR-ZHZULCJRSA-N	455.601	5.433	10	40	JKCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	14009518	PSWDNQWMDREJSP-JAIQZWGSSA-N	456.970	5.085	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S	20324914	ADWDMJGQGAJBGV-UNOMPAQXSA-N	474.028	6.640	10	40	JKCB	
O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58846885	GFWNGRHQWKERKW-PVTPYKNESA-N	478.617	6.981	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)ccc2OC)N3)cc1	58848488	KDGIQEGWPLQNFW-XXAUWVGASA-N	492.597	5.340	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208317210	MTLKWIYCNCZIPL-WMRWHDLOSA-N	465.981	5.427	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2C(C)=CC1(C)C	208532908	HULMADMALOGOBV-QRVIBDJDSA-N	450.579	6.392	10	40	JKCB	
COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	408577311	SJOZZVYDANISLN-UCQKPKSFSA-N	490.606	5.114	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3OC(C)C)C(=O)N(c3ccccc3)C2=S)cc1C	408604158	TUZXSNJWGNURKY-ULJHMMPZSA-N	470.594	5.839	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408770682	AJIMKBHXCRPWHP-QQXSKIMKSA-N	489.015	6.632	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3c(C)ccc4ccccc34)C2=O)cc1C	408798014	DKGUSGSIFOEHTB-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
COc1ccc(CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@@H](c3ccc(N(C)C)cc3)N2)cc1	408988542	IIDFFNCGVNJULM-AREMUKBSSA-N	486.641	5.608	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccc4ccccc34)c2C)C(=O)N(c2ccccc2)C1=S	409018732	SXIBIUKSDILPEJ-LGUFXXKBSA-N	493.632	6.201	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	409036963	WTIZMPQROVNBPP-LICLKQGHSA-N	492.831	6.421	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	409047008	SWNPZFAGPYOGQU-UDWIEESQSA-N	495.451	6.749	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@@H]32)cc1	653929	BUDOMHCPDYLHMO-WCYRKSIYSA-N	460.599	5.939	10	40	JKCB	
COc1ccc(Nc2cc(NCCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2297665	XDSFXRBGEYSWJC-UHFFFAOYSA-N	461.521	6.446	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	9281468	XZVYDYZMTOSURK-ZKNSXIRRSA-N	455.587	6.057	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1	9293644	LSQLWUYOVILKMY-DHPBROCDSA-N	463.607	5.692	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	14415011	JWVHVRIJYOJTPM-QOMWVZHYSA-N	467.565	5.571	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)SC1=S	16733717	ZJHYOLSVPQBMHT-QNGOZBTKSA-N	478.599	5.839	10	40	JKCB	
Cc1ccccc1/N=N\c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(C)c1	18125463	FTJRRCJGWNWSIS-LYJPHZJBSA-N	460.515	7.240	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)SC1=S	27025878	CHLBOYOKDYUTHB-NPRIEWAGSA-N	478.661	5.012	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)o2)ccc1Cl	33330365	ZONAFSPRNLPYDE-YBEGLDIGSA-N	470.865	5.109	10	40	JKCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3cccc4ccccc34)N=C2C)sc2c1CCCC2	101113073	HKOGLYPYJIOLPI-HMMYKYKNSA-N	459.571	5.675	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCc2ccc(Cl)cc2)cc1	112297907	SZKWUOUWUQBKER-KQWNVCNZSA-N	476.920	5.072	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	223762653	HQGLBHVPOBWHQZ-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224463576	ODCKYLCWONNEGU-SXOMAYOGSA-N	487.072	6.882	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O)Nc1ccccc1	408573222	JEIMRVJINNMGGD-STZFKDTASA-N	464.543	5.249	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1OC	408725139	HLIMZECOHXAISB-UHFFFAOYSA-N	484.552	5.684	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(Cc3ccc(C(=O)O)cc3)C2=O)cc1OC	408763881	PNPQZEIPSQQPJE-FYJGNVAPSA-N	475.928	5.522	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)cc1C	408820255	WEUJYVRFQAJIKB-RGVLZGJSSA-N	481.980	5.335	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc2Cl)c1	408881018	LEWCEKWIXDUAKS-OEAKJJBVSA-N	472.972	5.831	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1Br	408986589	QVNARMMQFXPLIU-HMMYKYKNSA-N	476.370	6.328	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	409063864	AJQPBQKAPZDCAD-OEAKJJBVSA-N	476.363	6.402	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O	409245404	SGCXAIXVXXBPSH-UNOMPAQXSA-N	468.340	5.376	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409338494	KWWJAKYCRNMQJD-MTJSOVHGSA-N	466.540	5.886	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)SC1=S	409351279	SZBCZUDJXOUNBD-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(F)(F)F)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	409382179	PRYMJUOUSQGBPC-DHDCSXOGSA-N	456.247	5.889	10	40	JKCB	
COc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1Br	829459	DDVCQSDYYPUWEL-UHFFFAOYSA-N	493.382	5.206	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	2059586	COIYTKSIFSDUEO-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)c(Cl)c2)C(=O)N=C2SC(C3CCCCC3)=NN12	8495738	RFMBAHKWJGGZML-SHTUGUSNSA-N	492.988	5.759	10	40	JKCB	
Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Br	20032343	DYXNPFMKMUDTRP-HRIUQOHOSA-N	454.349	5.113	10	40	JKCB	
CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1	33650823	XJLYXWQPHXKRIW-AFUMVMLFSA-N	469.585	5.727	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	33719525	BVBCCIIJBFBXLF-KUYAPCGNSA-N	469.998	5.566	10	40	JKCB	
C/C(NCCc1c[nH]c2ccccc12)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	95482947	MJYQBUQPFWFNFD-UYRXBGFRSA-N	469.492	5.149	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1	222923387	JZGHPIMMQAXZQZ-KAYWLYCHSA-N	475.706	5.964	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc21	223515829	MDHJAADJDVQFRC-DEDYPNTBSA-N	477.605	5.376	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)c1	223900682	QLWDMDVQCLSLIM-VMPREFPWSA-N	495.696	6.349	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224534344	WHTVRHRBFXQCNS-NSOVKSMOSA-N	497.668	5.741	10	40	JKCB	
COCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2nc(Cl)sc2c1	225982606	VMSAGCGSKSVDFJ-UHFFFAOYSA-N	453.995	5.646	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O	408741131	KGUMSNVJISURIN-UYRXBGFRSA-N	495.398	5.141	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1C	408883637	UEYJKIMREDKIEX-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC	408902676	PSHBYGNSKJGVBA-LDADJPATSA-N	477.991	5.086	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCc1cc(C)cc(C)c1	408936406	GCFIWMUVKQQZNQ-YDZHTSKRSA-N	488.971	5.986	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409075259	YDBBQNREIZDMCC-RGEXLXHISA-N	464.924	5.764	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(OCc2ccccc2)c1	409362699	GEACNEMEBQTZSL-MYYYXRDXSA-N	493.028	7.006	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC(C)C)cc2)SC1=S	2355589	FMBKEOJYVYVQGW-ULJHMMPZSA-N	491.682	6.575	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(C)C	3768794	HGRYNWKLVPLOFM-YBFXNURJSA-N	478.433	5.898	10	40	JKCB	
CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	8686990	TUXNHFUXZNQYFF-IEWVHIKDSA-N	451.551	5.960	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	9281055	BVBCCIIJBFBXLF-LECIVKJOSA-N	469.998	5.566	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9293696	YVCZMGIGVJQJOE-HJWIFZRKSA-N	460.390	5.676	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)c1	9309410	SONOFCSKIABWBC-JFDFMHGASA-N	457.534	5.209	10	40	JKCB	
COc1cccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1	9849392	AOPCSYWGTACJDY-IWIPYMOSSA-N	495.597	6.006	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\C(=C\c3ccccc3)c3ccc(Cl)cc3)SC2=S)cc1	16216922	WGKPYLDGODPAKQ-YCTDNUTKSA-N	464.011	6.838	10	40	JKCB	
O=C1/C(=C/c2cc(Br)cc(Br)c2O)SC(=S)N1C1CCCCC1	23410845	IWNWDEWGPXTJQD-QPEQYQDCSA-N	477.243	5.451	10	40	JKCB	
COc1ccc(N2CCN(c3cc(-c4nc(-c5ccccc5)no4)c4ccccc4n3)CC2)cc1	33140345	ROPZZAONLPJCRU-UHFFFAOYSA-N	463.541	5.287	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	34782770	LAEUXPAXKXZISU-ZKZDLDBDSA-N	468.026	6.255	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	58849982	QWJVOGLQVKSEHG-YZUZCNPQSA-N	481.961	5.876	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)SC2=S)c1	59459802	NCURMHIFMPWJJK-MTJSOVHGSA-N	493.522	6.010	10	40	JKCB	
COc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(OC)cc1/N=N\c1ccc(O)c2ncccc12	104219959	SFXRKMUUGIAIPX-MPCWFZQZSA-N	458.434	6.697	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)C2=O)c1	208226294	GBLFAGTUFZZQHZ-QRAWFLTRSA-N	477.630	5.700	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1Cl	223619772	AGWDQUDTJBTYQT-YADHBBJMSA-N	475.445	5.151	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1	223758521	JPIYYVKMERCAMN-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862502	OGLUFZDRXYEBCV-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1	223878909	KHTGVLPUYLIHGO-JWQCQUIFSA-N	456.571	5.072	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C	224268295	KNLIPOOQOMKWHG-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224298937	AOQQWSSNQLRBFO-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224339818	FNRWQDKBPYSJOV-JDXGNMNLSA-N	494.708	7.154	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224434704	NSPGZSDXDJLYME-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(F)(F)F	225014485	FEGTXNZBFPIWNS-BJKOFHAPSA-N	484.591	6.423	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2Br)cc1	408754779	RPISTEFQSXXWRK-KGENOOAVSA-N	493.357	5.309	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)S2)cc1	408768729	INYHTHKFETUFEG-PLQXQRLBSA-N	478.574	5.173	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408902184	LNOYCMSHTWVLCF-HYARGMPZSA-N	477.563	5.378	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1C	408903140	UXYQFAQWQPEXGX-CIAFOILYSA-N	455.004	6.162	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CCOc4ccc(F)cc4)C3=O)c2C)cc1	409053005	VTCVPDAXJKZXDR-HAHDFKILSA-N	450.535	5.657	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409055788	QBKJZMGHEXYPHK-CFRMEGHHSA-N	490.987	5.942	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409062734	ZYXZSFGYKBVAOF-RIRGPFDCSA-N	468.597	6.145	10	40	JKCB	
COc1cc(OC)c(C[C@@H]2SC(=S)N(CCC3CCCCC3)C2=O)cc1Br	409142983	MJMRDFWBQJUSOQ-SFHVURJKSA-N	472.470	5.208	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(OCc2ccccc2)c1	409204334	FRLXFSWOSKYWMS-KOEQRZSOSA-N	455.558	5.205	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1Cl	409237648	AUIGUGZHNJCOJG-GZTJUZNOSA-N	490.890	5.759	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)c1	409336159	MSIQYTAUQMXSQI-XDHOZWIPSA-N	464.631	5.435	10	40	JKCB	
Cc1ccc(Sc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3c2O)cc1	1795807	CRMYRVDJPYKTKF-UHFFFAOYSA-N	477.651	7.103	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3cccc(Cl)c3Cl)C2=O)cc1	2059108	AERPGVMJISCSPF-HKWRFOASSA-N	464.348	6.641	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1Cc1ccccc1	2302201	AXLVUZKVVVANLN-ODLFYWEKSA-N	456.932	5.910	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)cc1	8821526	GBZBCVYNQPJTMN-UDWIEESQSA-N	470.959	6.476	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)S2)c(OC)c1	8821695	VGUGGWBCTCDKQR-QRVIBDJDSA-N	480.973	6.019	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\Nc3ccccc3N3CCCCC3)SC2=S)cc1OC	8993080	JHBJFLYMZGSERY-HAVVHWLPSA-N	483.659	5.050	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1	9057242	UKIQMWHULYKVCD-ZVTCDHROSA-N	455.645	6.269	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9191802	YTALWRLKOZEUGY-CYBUCUQUSA-N	497.624	5.916	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	9232514	LTVVCBKZRMGXEG-WSDLNYQXSA-N	486.445	7.287	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(C(=O)O)c1	9323372	LKTHICHZPUEANR-LPYMAVHISA-N	490.943	5.822	10	40	JKCB	
CCc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(N(C)C)cc1	13025243	JUMFWLCYDZPMCU-AREMUKBSSA-N	459.590	5.355	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(Nc4cccc(C)c4)=NC3=O)cc2OC)cc1	13039035	KVNCBPUGBIORNI-HAHDFKILSA-N	474.538	5.314	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1	13787467	ZARXFKHPPOGXRB-BIRLBKGPSA-N	453.571	5.378	10	40	JKCB	
CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)C(=O)N=C2S1	13881195	AOSYKXUULQEMRI-UYAJQHSGSA-N	489.782	5.321	10	40	JKCB	
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]3C=Cc4ccccc4N23)cc1	16001121	QNPILTYMXWVDIB-DTXPUJKBSA-N	495.578	6.311	10	40	JKCB	
CCOc1cc(Br)cc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O	17085961	NLEGVGSCSJKPRL-JEOXALJRSA-N	479.440	5.620	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2)cc1	26965702	NJRYSCXLUGOVEA-QJOMJCCJSA-N	475.591	5.358	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C1=O	41108834	NCJINUUZXABJJI-VKZJTJHYSA-N	468.538	5.664	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484781	PTLRFARMXCIYLC-XIEYBQDHSA-N	462.505	5.740	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C2=O)cc1	59861096	CHDMOCNKDBBHHW-HYARGMPZSA-N	490.487	5.319	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1C	223312659	XEGNQTXGSNVQIH-BYXVTNLJSA-N	460.647	5.257	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1	224279040	WCMRJKDCWUGBNV-JLJGYXLTSA-N	473.642	5.695	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(OC)c2)c1C	224530669	MFTNPYXPFMIJAZ-NSOVKSMOSA-N	482.653	6.237	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1	224885758	ZVXMAOMXGRWNKD-RPBOFIJWSA-N	491.016	5.725	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21	260919593	MLLHGIVQCSRTLF-NSOVKSMOSA-N	497.712	6.188	10	40	JKCB	
O=C1NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C/c1ccc(Cl)cc1Cl	408776260	XNQFMPANWUKXAO-VZUCSPMQSA-N	463.626	5.332	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)n1-c1ccccc1	408817895	WNYDZHWONOYWBM-JPYYIPBLSA-N	470.662	7.148	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)cc1	408899620	PMDRUFIZVWAXKG-JWGURIENSA-N	490.943	5.374	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(F)c(C)c4)C3=O)o2)cc1	408984156	FJEVDDCICSODPC-HAVVHWLPSA-N	479.507	6.652	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409056011	QPZHDOYJVYHUFV-XYGWBWBKSA-N	489.015	5.971	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1C[C@H]1CCCO1	409133442	UCPISKUMAMDGLJ-SPMKTWQFSA-N	499.057	5.754	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1C(=O)O	409216898	PPRCDTQQWXJZNX-MTJSOVHGSA-N	466.946	5.682	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C	409226263	MKYHCAFPASKVSZ-LPYMAVHISA-N	450.991	6.601	10	40	JKCB	
Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)C2=O)c1	409362883	SVIASCLAJGGCHD-UUYOSTAYSA-N	490.537	5.245	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409382605	VAOATXROHGEIIG-MYYYXRDXSA-N	497.547	5.354	10	40	JKCB	
CC(C)OC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	666599	KTLVOEXLKDPDTE-UNOMPAQXSA-N	485.323	5.280	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C)n1-c1cc(F)ccc1F	1100850	IOLZEQGCVCYBIR-UHFFFAOYSA-N	480.565	6.119	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1	1159949	UNPRGFXNJPTKIK-VLDJDNEVSA-N	491.638	5.237	10	40	JKCB	
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)ccc12	1737624	ICTPEPWRXHZMIG-KRWDZBQOSA-N	468.461	5.248	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)cc1Cl	2594799	DYWRYASRRUDLNG-UNOMPAQXSA-N	455.992	5.882	10	40	JKCB	
Cc1ccc(Sc2c(F)c3c(c(F)c2Sc2ccc(C)cc2)C(=O)c2ccccc2C3=O)cc1	4256802	GYRWMGDMKQGCRB-UHFFFAOYSA-N	488.580	7.659	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)c1	8821284	GKXVUWXYOCMUNV-UCQKPKSFSA-N	466.027	6.942	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccccc4)c4ccccc34)C2=O)cc1Cl	9428612	WSKDCWIRMPTCEX-HAHDFKILSA-N	499.954	5.349	10	40	JKCB	
CCCCCn1nc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccc2c1=O	13141779	TXZFLFCUJPKETH-UHFFFAOYSA-N	471.557	5.034	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(F)cc1	13943203	ZROZPWAWIMLQHM-LICLKQGHSA-N	482.396	5.397	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15999122	HRCYYOSZZCDMHA-AWCRTANDSA-N	499.541	6.142	10	40	JKCB	
C/C(Nc1cccc(Cl)c1C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288309	WLRBUBNYUCSZDB-JWGURIENSA-N	458.974	6.395	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1	26580593	RFYJZEOGQSZTFQ-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	27550000	PULXZJYQXYSHPR-WQRHYEAKSA-N	496.273	5.122	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c3ccccc32)c1	33457676	WVSIPSXCXBOPKY-RSQAEGOUSA-N	495.633	5.921	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1C	34379752	GLWCBIOBMDDHKN-AQQGHWPGSA-N	487.673	6.691	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc(Cl)cc1	34703255	TUNODDOJGJFFMM-FYJGNVAPSA-N	467.308	6.079	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)cc2Cl)cc1	35330502	MSALMFRJUDNNNV-XKZIYDEJSA-N	483.420	7.272	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C3CCCC3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1	36612291	QKLOGAITOYEBGU-HYARGMPZSA-N	482.627	5.165	10	40	JKCB	
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Br)c4)cc3[C@H]3C=CC[C@H]32)cc1	58848277	ISHOUXUGMAJPQX-SGIRGMQISA-N	495.442	6.385	10	40	JKCB	
CCCCC1(Cc2c(C)ccc3ccccc23)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	59498131	LRTQTMMFBCGNOG-UHFFFAOYSA-N	462.593	6.862	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(OCc2ccccc2)c1	214356678	FRQFLLDEUFXJKI-WGOQTCKBSA-N	490.600	6.487	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501020	HBSOAOUDYPCPJF-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)S2)cc1	408774342	VCFCQXFIZCMCEF-PNZYDNNZSA-N	462.575	5.473	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCc1c(C)ccc2ccccc12	408801286	USSLYGRKAAJEAA-LFVJCYFKSA-N	492.531	5.402	10	40	JKCB	
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1=O	408822493	AYGATMGQVNZIMA-DEDYPNTBSA-N	497.334	5.247	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12	408868792	OUOGDQFRYGGZID-JLPGSUDCSA-N	498.991	5.904	10	40	JKCB	
COc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)cc1	408963972	KNGOQQADIZEPBP-JCMHNJIXSA-N	452.432	5.623	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	409137649	XORSUKOCAIUKDJ-XKZIYDEJSA-N	468.579	5.437	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O	409253746	VCQJLNOTIROBRV-WBFOAEISSA-N	464.974	5.502	10	40	JKCB	
COc1ccc(OC)c(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2Cc2ccco2)c1	905533	FFBCMXGMVFWHEJ-UHFFFAOYSA-N	463.559	5.248	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccccc2)cc1OC	1277294	ARRNHHOMKWLWJX-XMMPIXPASA-N	452.510	5.554	10	40	JKCB	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	1899068	YBOKAJAHOHWNTF-UHFFFAOYSA-N	473.598	5.926	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S	2201576	QFSUORXAKNWXMW-SILNSSARSA-N	479.627	5.577	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(Cl)cc1C(F)(F)F	8819237	FIQJYDAMUTXAHG-SXGWCWSVSA-N	488.915	5.728	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1	9290832	YLQHVHLKTPYIOA-VMJYKDGMSA-N	487.673	6.691	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3CSc3nc(C)cs3)CC2)cc1	9596653	RDHHFSYLGLQFIF-UHFFFAOYSA-N	479.627	5.461	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCCCOc3ccc(C)cc3)cc2)SC1=S	9659526	CWPMGCRNGCRAIF-XHPQRKPJSA-N	489.662	6.811	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c(Br)c1	9933385	AEGSCGCAANPEIB-XMHGGMMESA-N	450.763	6.882	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1Br	14406727	HNNXDWPHELIDKV-YBEGLDIGSA-N	477.152	5.089	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)cc1	15729627	MLCVAGTUWVTVOP-UHFFFAOYSA-N	455.889	5.499	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16001311	RJDRRLWMJNDVLV-ISJGIBHGSA-N	498.922	5.271	10	40	JKCB	
CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1	20289033	JBHIUIIYNSIQNR-MOHJPFBDSA-N	455.514	5.009	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)C2=O)cc1	20324502	ZTAWBQKTROUHHG-UNOMPAQXSA-N	468.918	5.741	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	32193802	MEPZRTAYTIAGIG-PDGQHHTCSA-N	452.264	5.423	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	35039893	PGLKOBWNSWVTJS-JCMHNJIXSA-N	464.568	6.603	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc(Cl)c1OCCOc1c(C)cccc1C	41082519	WXIKIHKOHWWKSL-MFTSTXPMSA-N	495.963	5.264	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)SC1=S	96624511	OBOCBYFERCAYNF-YVLHZVERSA-N	452.370	5.388	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223015673	QWHCIAZZTMOZNB-PKTZIBPZSA-N	455.027	5.070	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223459233	AKWKJGBFKAQSSH-RRPNLBNLSA-N	467.642	5.619	10	40	JKCB	
Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1N1CCCC1=O	225656988	JDZPXXVBUSIQNB-HXUWFJFHSA-N	450.652	5.406	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1Cl	408576700	QNEQMCHJIFTXRU-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	408741384	IOKGOMWXAPPICU-VCHYOVAHSA-N	487.766	7.216	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1	408760297	WGSXQZULJMSTGJ-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	408801870	WFEHKXGCTWBUHI-NLRVBDNBSA-N	492.531	5.484	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(OCC)c3)C2=O)cc1	408871299	YIPDMUXBDAEDMJ-YZSQISJMSA-N	498.579	5.358	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1	408901511	YHSPMECHGDBBCW-UQQQWYQISA-N	488.515	5.250	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)c2C)cc1	408964534	DBZMBJZPLBTZDB-UDWIEESQSA-N	481.980	5.280	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1C	408967961	SZVLFRKZOXZXAB-IWIPYMOSSA-N	473.598	5.640	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	409011940	PFKWTTOOJUAUDU-BKUYFWCQSA-N	495.501	5.381	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1	409080855	OBQHJELLHJJMCY-WOJGMQOQSA-N	478.848	5.755	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C)C3=O)cn(Cc3ccc(Cl)cc3Cl)c12	409123130	FAYPSOISUFROFR-OCKHKDLRSA-N	461.439	6.390	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21	409167648	JESOYQCTDKSQGB-LZCXECNNSA-N	452.450	8.421	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1Cc1ccccc1	2379323	MHJIJHMOYFLUTF-PXLXIMEGSA-N	471.944	5.405	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(OC(F)F)cc1	2641226	RKYMODBFRYDJSY-HNNXBMFYSA-N	498.580	6.316	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)cc2)cc1	2700649	VILIDXQCUWDJSI-AMCKHAKVSA-N	475.591	5.601	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)c(C)n1-c1ccccc1	4788605	PWVOCGUHGOAPJD-TUKHXMGSSA-N	471.611	5.604	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@@H]3C=CC[C@@H]32)c1	8606736	JLLJHABMEMDYAZ-KHVXQDHOSA-N	460.599	5.939	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	8820168	UFHCZWZJLIBERQ-WDULPBOOSA-N	465.084	5.893	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1OC	8821402	BLSRGTGNGLEZBI-HYARGMPZSA-N	486.014	6.061	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	8821544	AEWHVFBIJZIXIA-HZHRSRAPSA-N	478.595	6.912	10	40	JKCB	
CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccc(N(C)C)cc1	9075906	NUNZVQCWCLIKRE-LMSSTIIKSA-N	466.666	5.663	10	40	JKCB	
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NCC(C)C)nc3ccccn3c2=O)SC1=S	9463190	LGUMUCQIPNNQFR-NFBGKYEXSA-N	472.680	5.180	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	9554182	XMLMPJZIIDZTIC-AHXGQMSJSA-N	490.032	6.542	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC12CC3CC(CC(C3)C1)C2	12375269	CWANGXLVKHOAQN-VXLYETTFSA-N	461.052	5.016	10	40	JKCB	
CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(Br)c(O)c(CN3CCCC3)c12	12413722	NMBRMSKZKYEEQS-UHFFFAOYSA-N	487.394	5.188	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCC3)c(C)n1-c1ccc(OC(F)F)cc1	12532866	BAHZPMYMALMDCL-UHFFFAOYSA-N	490.506	5.772	10	40	JKCB	
CCCCN(CCCC)c1ccc2c(c1)-c1cc(N(CCCC)CCCC)ccc1C(=O)C2=O	16638741	YSZQAWHTAATMJC-UHFFFAOYSA-N	462.678	7.546	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)c(Cl)c1	24494955	BRGIQPUSGXBJHA-RQZCQDPDSA-N	458.301	5.496	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	33794261	BQSMYNRFXVXDRV-QLSUFNALSA-N	484.025	5.956	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)c2C)cc1	59198358	CQBTUBHIOPHRBA-LPYMAVHISA-N	492.373	5.926	10	40	JKCB	
CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1	102650246	NREAASQEXRGIGD-MUUNZHRXSA-N	496.680	7.416	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	224203392	RMKVXNVFSVIETA-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)c1C	224565805	JCIMUFGVMTUVAL-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1O	224604286	LAKJZLQKCPKSBG-JWQCQUIFSA-N	456.571	5.077	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccn1	224862620	JUUMPLLGOVMLAT-RPWUZVMVSA-N	476.005	5.420	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Br)N1c1ccccc1	408755623	RCFDHGQVJGABSY-JJIBRWJFSA-N	453.339	6.437	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)cc1	408795478	CFOWDKQFNLQGJU-CIAFOILYSA-N	467.308	5.239	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2Cl)c1	408815514	WXSUJIFLVHMVNG-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)SC2=S)cc1	409053985	PKNAFWXMGZXGAS-XKZIYDEJSA-N	463.584	5.712	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)o2)ccc1Br	409132530	JZEREKSZXDVLTJ-MOSHPQCFSA-N	476.461	6.799	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O	409250327	NBYBTJIZFHGNBH-QINSGFPZSA-N	471.296	5.319	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409339115	FBMHDQLTTIOSBQ-YBEGLDIGSA-N	465.350	5.162	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	680467	PQERAZLKIFRXKH-ITYLOYPMSA-N	470.569	5.760	10	40	JKCB	
COC(=O)c1c(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CC[C@@H](C)C2	938462	ORKDUELRXVEHDV-QLJPJBMISA-N	498.548	5.120	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1	1355662	HJHLFEDSWNRQLT-UHFFFAOYSA-N	482.631	5.685	10	40	JKCB	aggregator
CC(C)(C)c1cc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(C(C)(C)C)c1O	9188574	PIUFONCBDWNAHR-UNOMPAQXSA-N	493.616	7.412	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1	28295106	NXPIWLFKKCYSAP-IBNIFWCESA-N	484.537	5.425	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1C	41108043	DWQNFUWUNCCJOE-MNAJPBKWSA-N	483.597	5.409	10	40	JKCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)C2=O)c1	59104540	JZPZBMDDJVPHDJ-MHWRWJLKSA-N	488.924	5.051	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc(Cl)c4C)c3C)N21	222702325	ZRSAENXUCIMWQQ-DQMJNTIXSA-N	451.039	6.430	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C	224269059	OAWZFGORRSCKRA-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224398197	KODCOIPPXGIVGP-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224431633	PNJOKMUKKLVAFN-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224532033	YSVWHRQNFZFANC-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Cl	224603144	XWVXGCSOJWFPNI-DQEYMECFSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	225018257	COFCZHUQUANIGC-BJKOFHAPSA-N	485.484	6.711	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	260925620	WGPAMQNTTLXPKO-KAYWLYCHSA-N	468.670	6.453	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1Cl	408571848	CURJWUSBPKPVIS-XKZIYDEJSA-N	495.025	6.072	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Br)cc2)c1	408758771	QXCRSGUDAJCWMF-CIAFOILYSA-N	486.196	6.899	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3ccccc3Br)C2=O)c1	408871330	YPSPZVLDOMUWMU-RCCKNPSSSA-N	475.342	5.015	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)c1	408881313	KRHDPVPEENFVTN-KGENOOAVSA-N	479.363	5.867	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1	408963490	FAGILCLCFZEPQI-ZHZULCJRSA-N	456.851	6.268	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	409043472	MKWKJAPXNGTJEU-LICLKQGHSA-N	476.376	5.906	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409054800	BQUZNXJUELWZDK-KSEXSDGBSA-N	495.406	6.587	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NC1=S	409106963	PGQRECMNSMMTCR-GDNBJRDFSA-N	491.783	6.047	10	40	JKCB	
CCOC(=O)COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OC	409213415	UPVZFOFMUNOKNM-GIJQJNRQSA-N	498.409	5.350	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1cccc(F)c1	409227846	RVTOVQPLGWSDEZ-SRZZPIQSSA-N	483.952	5.562	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O	409338900	QLGGAOZFFXVJBD-FYJGNVAPSA-N	455.988	6.306	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S)c1cccs1	409345667	JZDGZYZMOAQLCV-MTJSOVHGSA-N	493.610	5.436	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCCOc2ccccc2)SC(=S)N1c1ccc2c(c1)OCO2	409350398	RMYRMCMTLVLDCH-OEAKJJBVSA-N	477.563	5.279	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)c2C)cc1C	409375997	RXERTUDCMDEUAD-YSMPRRRNSA-N	499.636	5.332	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@H]32)cc2c1oc(=O)c1ccccc12	1614472786	JBZWXYXSJXSYML-XMODGQSNSA-N	470.613	5.355	10	40	JKCB	biogenic
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)s1	1776309	UBNUQKLRHPUKIT-QINSGFPZSA-N	481.068	5.154	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccc(F)cc1	2238335	KJQJHSKINUIQNR-BOPFTXTBSA-N	455.239	5.355	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1	7003478	ZXIFJBNKTARBHR-AQTBWJFISA-N	452.894	5.297	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	8450647	HXTOXHUIZDYORX-XAUISYEUSA-N	475.577	5.915	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)cc(Br)c2O)N3)C1	8919885	IVWULXATDPVHCT-XTZNXHDOSA-N	483.859	6.840	10	40	JKCB	
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(OCc5ccccc5)cc4)C(=O)N=C3S2)cc1	9113251	AMJXAUAZQPSRQF-XTOVRFJNSA-N	452.539	5.241	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1	9144533	HSNSIYSVOFFHTO-WQRHYEAKSA-N	484.426	5.647	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9193754	NFFZOFQZKRXZAT-SDHOMARFSA-N	487.477	5.728	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9209677	ROROQTMCCYCYJU-ZMFLSQNASA-N	495.395	5.463	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)SC1=S	9233441	FJOIVTKYWMOGDO-WOJGMQOQSA-N	482.852	6.293	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OCCOc1cccc(C)c1	12628876	MPZXPQJUPAACSJ-UQQQWYQISA-N	491.634	6.176	10	40	JKCB	
COc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c1	13895607	XXRRKDDUATVAJI-UQQQWYQISA-N	491.634	6.176	10	40	JKCB	
O=c1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)oc2c(CN3CCOCC3)c(O)ccc12	19791513	LOHRAJVSXCTPKI-UHFFFAOYSA-N	474.262	5.323	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12	33583739	NMQWMPIMBIWTIR-QRVIBDJDSA-N	478.404	7.079	10	40	JKCB	
CC(=O)c1ccc(N2CCN(Cc3cc(-c4ccnc5cc(Cl)ccc45)ccc3O)CC2)cc1	53166836	MRGPUJBIFREFAW-UHFFFAOYSA-N	471.988	5.786	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1cccc(C)c1	59514500	NVHZIGSRFPBMLC-LPYMAVHISA-N	496.009	6.282	10	40	JKCB	
Nc1c(/N=N\c2cccc(/C=C\c3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	100367656	CRCOCKHORNPKSY-SYDNUOLQSA-N	469.526	6.131	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc(/N=N\c4ccc(Cl)cc4Cl)ccc3O)C2=O)cc1	106704286	PZLXTFJYNCZHQL-VMROFEDTSA-N	498.391	7.659	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222872473	QNCGSBFCZWCEPZ-VXKWHMMOSA-N	458.553	5.890	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926671	LWONPNRATHTCFS-ZEQRLZLVSA-N	453.055	6.079	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc21	223518926	KJDBKWJEKSJHEX-CFRMEGHHSA-N	481.061	7.295	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1ccccc1F	223535274	HICAQZSTUSYCSA-RPBOFIJWSA-N	457.578	5.196	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)cc2)cc1	408532265	NRYJESMQGOJDBT-FYJGNVAPSA-N	487.593	7.571	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	408643759	RSRFZOSHAUIKTR-QHCPKHFHSA-N	472.544	6.777	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C1=O	408796360	ADQSJBLVKXHXNM-MFKUBSTISA-N	496.950	6.047	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)S1	408809302	RHODQMFMHURFOF-UHFFFAOYSA-N	487.432	6.481	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	408901923	IXQPLVXCYZHBBU-YBFXNURJSA-N	499.767	6.627	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccccc4)c4ccccc34)C2=O)cc1Cl	408991066	YXWIXEXFMCSVTN-HAHDFKILSA-N	483.955	5.626	10	40	JKCB	
COc1cccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1OCc1ccccc1	409039378	GMOLFYNMDNDCFX-WJDWOHSUSA-N	488.412	5.776	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O	409203220	WXTNSMOHOFFBRR-JCMHNJIXSA-N	498.467	7.187	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)SC2=S)cc1	409328797	BAVXGQMGKWAWDY-UYRXBGFRSA-N	482.608	5.294	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	409347685	MNBKTLUMYWVZAI-YBFXNURJSA-N	472.931	5.923	10	40	JKCB	
Cc1c(-c2ccc(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)o2)cccc1[N+](=O)[O-]	1839258	QUFBKNPNSOWRJT-BKUYFWCQSA-N	465.556	5.635	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C)c4)C(=S)N=C3O)c2C)cc1	8997651	SANIQQFTPAHRDJ-HZHRSRAPSA-N	487.581	5.251	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9291405	AFDHZPFFXHJHKO-UFTGVOQFSA-N	487.560	5.299	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C)n1-c1ccc2c(c1)OCO2	9717156	YTTGRQALDKPECB-UHFFFAOYSA-N	475.357	5.147	10	40	JKCB	
CC(C)(c1ccccc1)c1ccc(OCCOc2ccc(/C=C3/SC(=S)NC3=O)cc2)cc1	13940046	FBHLMSCEYMHLCK-HKOYGPOVSA-N	475.635	5.959	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)N1CCN(C)CC1)c(O)c1ccccc12	23292222	WEMYAQHQZMANBN-RUZDIDTESA-N	458.558	5.114	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	58845765	JCYNEJQAMSYUET-CEYNDMKZSA-N	484.543	6.641	10	40	JKCB	
O=[N+]([O-])c1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1	58847450	KRBJKBIHBAWACA-YZUZCNPQSA-N	481.961	5.876	10	40	JKCB	
COc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)ccc1OCc1ccc(Cl)cc1	96669692	RGVIJCYBOQREAR-HYARGMPZSA-N	456.995	5.820	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N(C)C)cc1	223348638	MENYJAUYBDVWCY-CLJLJLNGSA-N	471.630	5.321	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223494349	VCWCRUUOFFCMPL-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223495599	VFOMNGJOTOEEQL-SVBPBHIXSA-N	467.642	5.619	10	40	JKCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223617192	UGHLAWMMCOCYEG-VLZFXTDASA-N	466.025	6.242	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224204342	KEERMRIXGJVXDZ-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	224337492	WRFYHFDXOXYMPF-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438986	YFBFOLAIALXKFB-ZEQRLZLVSA-N	457.578	5.509	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225049557	OBYPTNHOTPZOSY-SXOMAYOGSA-N	496.684	5.667	10	40	JKCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1	225668994	FVRXUGGZVADOIP-HUUCEWRRSA-N	455.977	6.643	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc2nc(O)[nH]c2c1	408526135	ACPQKASHVRDACN-HAHDFKILSA-N	467.573	5.455	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1	408806146	ANZFFJLBKMTZOA-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408871897	ZDFNDVKFCWSYJG-PCLIKHOPSA-N	495.466	5.144	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)cc2)c1	408873564	SBDBDJFLKYWMOI-PXLXIMEGSA-N	458.945	5.522	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1c(OC(C)C)ccc2ccccc12	409041442	VXNGWXMWFJSHCK-GDNBJRDFSA-N	460.402	6.129	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2)cc1	409077822	GGUIMKKGPITCHC-OOAXWGSJSA-N	494.572	5.597	10	40	JKCB	
CCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C1=O	409123523	CJEJGWFDQNCPBJ-UQQQWYQISA-N	476.598	6.731	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O	409136133	SNOSQELJLVRCTQ-HRKXOBMBSA-N	458.583	5.465	10	40	JKCB	
COc1ccc(CN2C(=O)[C@@H](Cc3ccccc3OCc3cccc(F)c3)SC2=S)cc1	409139818	FJJFIQSGDKCRHU-HSZRJFAPSA-N	467.587	5.385	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc2ccccc2c1	409148769	RLSXDXBXPKRXEY-ZXVVBBHZSA-N	466.606	6.916	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1	409244807	JAVHVGCRQKUEFO-DEDYPNTBSA-N	450.947	5.555	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1OCc1ccc(Cl)cc1	409351315	TYSBZBWRKIGMTC-BKUYFWCQSA-N	485.989	6.473	10	40	JKCB	
Cn1c(/C=C\C=c2c3cccc4cccc(c43)n2C)c2[s+]c(-c3ccccc3)c(=O)n-2c2ccccc21	409415797	RPBZJEYZJDSOIJ-JXAIBUFTSA-N	498.631	6.634	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1	2700604	SDOXFSBAELIPCT-UAPYWLNTSA-N	475.591	5.601	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(C)n1-c1ccccc1F	3295523	SVDPFBFXLZGGKP-UHFFFAOYSA-N	486.572	6.108	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S	4108484	GGOKFKYGVFCOOO-OYKKKHCWSA-N	485.590	6.312	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1ccc([N+](=O)[O-])cc1	6475310	JFGOGUHCUWAEIJ-OARDWFSCSA-N	461.521	6.827	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1ccc(Br)cc1	8766485	SVMDQAFKIHAHFV-GZTJUZNOSA-N	498.314	5.289	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1	9311778	IWMXFGLZUUADSO-XYGWBWBKSA-N	479.605	5.392	10	40	JKCB	biogenic
Cc1ccc(OCCn2cc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)c3ccccc32)cc1	9805958	KTWSEPKITJLVFQ-PKAZHMFMSA-N	498.673	7.051	10	40	JKCB	
COc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O	10058974	HQSFEXHMGAEBCO-YPMLDQLKSA-N	465.413	5.805	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	13595393	AWGSQHPFBFJFMK-GUDIABFTSA-N	487.599	6.546	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=C1/SC(=S)N(Cc3ccccc3)C1=O)N2CC	13600784	FAEMIBLOKYLULJ-VMTNTFKOSA-N	493.654	5.315	10	40	JKCB	
C/C(Nc1cccc(Br)c1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288254	SDRBOUCSHFAQQM-QNGOZBTKSA-N	450.311	5.725	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	33916759	MSKWZQACXYDPLY-WUXVYIAASA-N	488.016	5.918	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OCc1ccc(C(=O)O)cc1	34910131	XLVVILYJOUVTAI-HYARGMPZSA-N	460.511	5.055	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3c(OCc4ccccc4F)ccc4ccccc34)S2)cc1	35044974	JJALUYCPZJAOKZ-QQXSKIMKSA-N	468.553	6.949	10	40	JKCB	
O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58848335	VXMGOJIIFZHIPQ-GLDPYIMESA-N	499.405	6.216	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1	107836213	QBXBPPNCYQFTOP-HAHDFKILSA-N	499.364	5.643	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(Nc3cccc(Cl)c3C)=NC1=O)[C@H](C)CC(C)(C)N2C	208235652	HFOXAZIRQLIEOO-SRMCNWIXSA-N	454.039	6.761	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223540823	YVMKTMUOINCTTN-AHKZPQOWSA-N	467.642	5.674	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1C	224467507	CJQDGHHPSWRVFG-RRPNLBNLSA-N	487.072	6.936	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1	225015832	RYURWFMRAXRRFJ-RPWUZVMVSA-N	451.039	6.058	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	225018039	DPMXDPURBIZYDH-RPWUZVMVSA-N	485.484	6.711	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccccc1	408781856	FJFNRIUHVVQBAK-WOJGMQOQSA-N	454.313	5.067	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)c2C)cc1C	408813713	OTMPVNOKAMNXBJ-UHFFFAOYSA-N	451.015	6.436	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc1C	408816455	TZAJCERYDYKONW-BUVRLJJBSA-N	465.578	5.138	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c(C)c1	408850688	CKQTVFWSGYZXNT-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408866161	GDKBNDDHPIIBQC-XQNSMLJCSA-N	484.914	5.890	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408881582	NMCHKRKOOFRHME-CPNJWEJPSA-N	469.299	5.390	10	40	JKCB	
COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1	408938668	QYAKMXAADDPBMG-MTJSOVHGSA-N	497.334	5.247	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C	408982999	JMBBOSFBGNLIJV-BKUYFWCQSA-N	461.949	5.285	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCC(=O)Nc2ccccc2)=N1	408992841	URNIUCNHDZQIOL-AREMUKBSSA-N	499.640	5.038	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)SC2=S)c(Cl)c1	409218367	UPSWJONEAKRQLV-YBFXNURJSA-N	498.969	5.153	10	40	JKCB	
O=C(Cn1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21)Nc1ccc(F)cc1	409340226	SNIPYSLIMANACG-OEAKJJBVSA-N	493.629	5.953	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)c(Cl)cc2c2c1CCC2	1614472260	VPWAHDXHQXMJPT-PCYHDRSOSA-N	481.036	5.036	10	40	JKCB	biogenic
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2ccccc2Cl)c2ccccc12	2174349	HUTRLQYCNYVJEP-CPNJWEJPSA-N	489.959	5.313	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3C)C2=O)c1	9144460	WMBMBODDCGWCTJ-ONUIUJJFSA-N	475.548	5.736	10	40	JKCB	
CN1C(=O)/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)SC1=S	9236612	MTHXSJQTEACXSI-UDWIEESQSA-N	470.413	6.012	10	40	JKCB	
Cc1cc(/C=C2\SC(NC3CCCCC3)=NC2=O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	12482086	WBRNNHJZGCWFDC-JAIQZWGSSA-N	481.971	6.659	10	40	JKCB	
C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc23)C[C@@H](C)O1	16609547	SOQQJUCOCSPQGJ-BETUJISGSA-N	467.871	5.447	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1	16678579	DGMBKAXGROJEME-UHFFFAOYSA-N	484.383	6.909	10	40	JKCB	
C/C(Nc1cccc(Br)c1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20288258	IXQMTKACSPDFJP-QNGOZBTKSA-N	477.318	5.494	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SN=C(SCc3ccccc3)N12	30708156	YXPMQARXMIXMBM-QDLOHUEYSA-N	488.550	5.155	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	41108443	DYCLNYPOYBDXQD-NMYLSWQBSA-N	473.627	5.634	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1)Nc1ccccc1	44086220	IBHCRDRAMOCSHB-UHFFFAOYSA-N	468.376	5.685	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)cc1	58848652	RUECQVWHFNXHJO-UZINWLIJSA-N	491.569	5.621	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	58883990	RUOFUJPIOVIJKI-XYGWBWBKSA-N	455.510	5.151	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)o2)c(Br)c1	59138873	COUKYSUATJRMFY-AQTBWJFISA-N	465.303	5.026	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCc2ccc(Cl)cc2)cc1	112299311	WWCQTTOPRZKUHO-ULJHMMPZSA-N	461.949	5.172	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1	208219557	TTZCIRAZSVWAJR-NQRZERFFSA-N	493.629	5.482	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223308091	WLJSKBTVOZNSKR-OUIFVKKZSA-N	460.647	5.203	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	223759645	UZFIPXAQEGDYLS-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1	223893589	GLGLCACEYYLEFP-KAYWLYCHSA-N	467.642	5.732	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1	224433049	ZODGCJNVCWRSLD-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224434579	NSPGZSDXDJLYME-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224532925	YTUXGYAHJJWALI-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1Cl	224603046	XWVXGCSOJWFPNI-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224868077	KTIVIOJEBXTLOC-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)SC2=S)cc1	408574928	GQJIEDYFTPLKAT-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(Br)c3)SC2=S)cc1	408602491	OTIOMUIVABVKGA-ODLFYWEKSA-N	462.434	6.198	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1	408751882	DJMOKSBYVRLTNH-KGENOOAVSA-N	495.760	5.724	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)cc1	408757652	BHUWEKFNLWHGQU-HZHRSRAPSA-N	461.359	5.991	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3)C2=O)cc1C	408814445	RJZHYNYCUSMDBP-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)c(OC)c1	408841331	GHLIZQTVKYHVNY-FYJGNVAPSA-N	497.776	5.954	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1	408877714	XXONVSJDFGKFAL-MTJSOVHGSA-N	499.514	5.788	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12	408936414	GEKYARSZTBRFND-XIEYBQDHSA-N	482.561	5.722	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)C1=O	409045069	YBGZHDVGZFIDSM-GIDUJCDVSA-N	481.763	5.656	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12	409137270	WJBSAYCVYLLGPQ-ZXVVBBHZSA-N	466.606	6.916	10	40	JKCB	
CC(C)CN1C(=O)[C@H](Cc2ccccc2OCc2ccc(Br)cc2)SC1=S	409144581	KVXLPEYIAUHOCO-IBGZPJMESA-N	464.450	5.456	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)cc1	409342820	CFTOXZSLCVDOKS-BUVRLJJBSA-N	488.634	6.035	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=S)N=C2O)cc1OCc1ccccc1	664652	VFIZSVKOCVMIJX-KGENOOAVSA-N	472.566	5.563	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	1010973	FDBQVXCOMDTAQF-YVNNLAQVSA-N	450.491	5.198	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	1200475	OHPUEWGXKRYVOL-HZHRSRAPSA-N	451.482	5.205	10	40	JKCB	
CCOC(=O)c1[nH]c2ccccc2c1/C=C1/C(=O)N(c2cccc3ccccc23)C(=O)N=C1O	2051938	JESBGZZJSJXZSM-XMHGGMMESA-N	453.454	5.005	10	40	JKCB	
COc1cc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])cc1OC	3322590	KXLXEQRYOYPBCO-OAHLLOKOSA-N	486.908	5.101	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)c1	8819175	DAPJDKGELKHZLV-GIJQJNRQSA-N	481.426	5.622	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1	8914409	IYECFIUQNVYWPQ-SITPEIFSSA-N	496.394	6.863	10	40	JKCB	
CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2c3ccc(Cl)cc3C=C[C@@H]2C12C(=O)c1ccccc1C2=O	9307351	CHLPFJRWDPCCPG-PVHODMMVSA-N	497.978	5.761	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	9308076	ZSODSFGLVHBKSV-CLLCEIHTSA-N	473.524	5.922	10	40	JKCB	
Cc1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)n1-c1ccc2c(c1)OCO2	13525592	GISRPIUTJQGBDK-UHFFFAOYSA-N	468.884	5.865	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccccc1	16479734	WEVZRJGCBWMZBJ-HMAPJEAMSA-N	452.000	6.320	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccc(Br)cc23)c2ccccc21	20059393	VMFMXOLJUWMNIR-HYARGMPZSA-N	492.417	5.323	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(F)cc12)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288155	PKNJAWVUEVYVDA-UQQQWYQISA-N	456.496	5.303	10	40	JKCB	
O=C1N=C(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)S/C1=C\c1ccc(Cl)cc1	36633761	YATOYOIQMNGZFS-QPHMKDBKSA-N	478.404	6.815	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12	41076375	USMMAJBVDLOQAP-QPNLLNHJSA-N	494.620	6.618	10	40	JKCB	
CC(C)CCCN1C(=O)/C(=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21	95115652	ZNUAASNRKCBHME-DQRAZIAOSA-N	450.629	5.284	10	40	JKCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCc2ccccc2)cc1	101451230	GAUCNCRRJQZZHT-LTGZKZEYSA-N	470.623	5.773	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1-c1ccccc1	103918990	DIBZEMCHCGMKJC-BWAHOGKJSA-N	452.583	6.852	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)ccc1Cl	214107915	DMDFCYRNZQYEJK-VXLYETTFSA-N	474.321	6.188	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222906142	SQQHVIOQYKABRB-XZOQPEGZSA-N	472.580	6.136	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223344554	QNSHOGGRQRGHGY-UIOOFZCWSA-N	456.615	5.817	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223382177	SBNRYZPMCNJMST-SVBPBHIXSA-N	452.627	5.970	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)nc1	223392835	JJVZUIXXNQPRPR-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223600274	FONPCMPWJIDZMJ-SDLXJUDFSA-N	461.631	5.327	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224366782	ZMVHWRIGRNHQSX-KYJUHHDHSA-N	494.708	7.352	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)c1	224533380	CLXZZYJYOMCHQU-RRPNLBNLSA-N	484.625	5.683	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)ccc1Cl	408737637	FLLQINNKMHGROC-QGOAFFKASA-N	494.772	6.360	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Cl)N1c1ccc(O)cc1	408754271	JUIBEKLPUXPBDJ-DEDYPNTBSA-N	453.723	5.643	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1OC	408759738	KOTKVMLYBXJDRF-DEDYPNTBSA-N	481.321	5.440	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c(C)c1	408868621	AJVOULHGKZAAFP-QRVIBDJDSA-N	477.561	5.525	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408870246	VRNRIAFYOWYVQM-HZHRSRAPSA-N	489.369	5.323	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c(Cc2ccccc2Cl)c1	408870667	UFLHBBUBDLBNOO-PXLXIMEGSA-N	474.944	5.223	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)NC1=S	409089980	NXVXWMLYTCLHAL-CPNJWEJPSA-N	456.011	5.403	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409118306	PRQFMZMIMOYUMT-FYJGNVAPSA-N	464.543	5.492	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(Cc3ccc(F)cc3)c12	409145806	QZTLVGUTCVOANJ-XYGWBWBKSA-N	492.685	7.173	10	40	JKCB	
CCC(=O)NCc1c(C(=O)O)n(CCCOc2cc(C)c(Cl)c(C)c2)c2cc(Cl)ccc12	2037879132	YBBIYEBYLPJDBZ-UHFFFAOYSA-N	477.388	5.758	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCc1ccccc1	6821599	UVQKYJIRSJDMOT-HYARGMPZSA-N	477.358	5.843	10	40	JKCB	
CCc1ccc(OCCCOc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2OC)cc1	8495946	DDBLWSOVUDGVLP-PAMLCIOASA-N	477.586	5.272	10	40	JKCB	
CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	8684653	TUXNHFUXZNQYFF-XYFQYJLHSA-N	451.551	5.960	10	40	JKCB	
Cc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	8765583	RCYNFTQZFFSEON-STZFKDTASA-N	468.600	5.124	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)SC2=S)cc1	9295635	AFOKXJQRIIBIQO-ZVHZXABRSA-N	495.597	5.823	10	40	JKCB	
O=C1/C(=C/c2ccccc2Sc2ccc(Cl)cc2)SC(=S)N1Cc1ccccc1	13602859	CRXVROHFUKJZHJ-STZFKDTASA-N	454.041	6.893	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	14009550	VQNDGLGTZRYIAD-BWAHOGKJSA-N	484.596	5.326	10	40	JKCB	
O=C(c1ccccc1)c1ccccc1NC[C@H](O)COc1ccc(Cl)cc1C(=O)c1ccccc1	17141454	HQBVXGSETFEVCV-QHCPKHFHSA-N	485.967	5.654	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	58847082	UZJAVNUDNSZJSY-YZUZCNPQSA-N	454.954	6.106	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1	59417942	CKXKWKYUPLVSJL-DEDYPNTBSA-N	474.424	5.710	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1	83319211	QSPGILPONSGTMU-NDENLUEZSA-N	452.513	5.265	10	40	JKCB	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1	100651191	MQBBLWBTWOWGTA-KUNJGFBQSA-N	475.614	5.758	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccc(OC)cc3)c2C)cc1	223420072	MVFQMJSILUEJGQ-WDYNHAJCSA-N	496.680	6.233	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1cccc(F)c1	224013361	JWKKHCTUCCLYGZ-UIOOFZCWSA-N	486.572	5.534	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	224201558	SQQHYWHKYRUVFL-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224371349	WWCRIIJDHBESRP-MFMCTBQISA-N	494.708	7.406	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccn1	224862657	JUUMPLLGOVMLAT-BJKOFHAPSA-N	476.005	5.420	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1C	260572435	VJHBIABUFNBFJW-MBTVCVBTSA-N	482.049	5.510	10	40	JKCB	
COc1cc(N2N=C(C)/C(=C/Nc3cc(C)c(Br)cc3[N+](=O)[O-])C2=O)ccc1Cl	408529929	KNCQTOCRVSCZLK-LCYFTJDESA-N	479.718	5.046	10	40	JKCB	
CCOc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1	408577428	SNNYBTDTZRGTBZ-KQWNVCNZSA-N	490.606	5.509	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(Br)c2)cc1	408752650	IXXMMGUMCBBQEZ-RGVLZGJSSA-N	477.314	5.021	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408760444	YTECLSGBUIUADD-FYJGNVAPSA-N	467.750	5.946	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4Cl)c4ccccc34)C2=O)c1	408772695	FEXWVQPNMVQWIL-OEAKJJBVSA-N	483.955	5.626	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)cc2C)cc1	408786857	WRVNWHLLNSRMCZ-XSFVSMFZSA-N	475.342	6.445	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccc(C)cc1	408813391	UDRDUNGKBFJVMZ-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408882443	PCNBVFBCLLSIGW-OEAKJJBVSA-N	484.552	5.174	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O	408889285	BKWFLIQHKHEBLW-QNGOZBTKSA-N	460.917	5.148	10	40	JKCB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	408918879	QCFAYSSZCLUPKJ-BUVRLJJBSA-N	490.581	5.273	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1C	408959820	GHAWMVIUUNIQQY-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C=C1c1ccccc1	408985988	OHAXLQVZXNJPME-LYBHJNIJSA-N	491.543	6.603	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccccc1Cl	409142169	LSFBSBZMVOEBMD-JOCHJYFZSA-N	485.030	5.294	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	409146800	KVPPQIKIAIMSOK-WSDLNYQXSA-N	496.972	5.447	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1cccc2ccccc12	409199706	CUNDCZAMQJEMKV-HYARGMPZSA-N	485.546	6.341	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4Br)o3)C2=O)c1	409230413	DFTIKBLLOOFUSI-CPNJWEJPSA-N	495.329	5.083	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br	409236234	FEMSMZDSVAOSHT-LQELWAHVSA-N	493.810	5.111	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1Oc1nc(Cl)ncc1F	409352605	XRHGFMSSJGZEDF-WQRHYEAKSA-N	494.013	5.994	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1O	409372127	LOEWKTJATCHVQO-LZYBPNLTSA-N	484.386	5.036	10	40	JKCB	
CC(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(O)c3)cc2)CC1	1772572811	MVDJTCFLEZIJEJ-QVIHXGFCSA-N	456.630	5.654	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	853253	VEPDIDYFRAJPLN-ZDLGFXPLSA-N	472.303	5.206	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1	2415435	CQYOXKGMSGCNJK-HAHDFKILSA-N	469.591	5.607	10	40	JKCB	
Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)C(=O)[C@@H]2C)cc1	3325136	SEGDTEDKRHWSQH-SFHVURJKSA-N	481.499	5.044	10	40	JKCB	
Brc1cc2c(cc1[C@@H]1Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]31)OCO2	6445371	RIVTWYVNCSCPEQ-UYSIFFEZSA-N	496.142	5.609	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1cccc(F)c1	8820143	OXEAMVSSZKNBGK-UYRXBGFRSA-N	462.999	5.879	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	9310271	TTZTZUBNJRNQTL-LICLKQGHSA-N	477.350	6.567	10	40	JKCB	
Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(Cl)cc(Cl)c4O)[C@@H]3C2=O)c(C)c1	9498735	CBAPORZLOWXHFY-XJUOHMSHSA-N	483.351	5.367	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)c1	13897019	RELOZCZTWHODSY-VHDUERLVSA-N	462.575	5.118	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccc(Cl)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	16000809	CHLPFJRWDPCCPG-OYUWMTPXSA-N	497.978	5.761	10	40	JKCB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1c(O)ccc2ccccc12	19326410	NBUOLMUUEUJMBW-UHFFFAOYSA-N	468.597	5.969	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)c1	19793125	JYYVYILMXSBENG-OAHLLOKOSA-N	461.480	6.158	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)c1C	59104339	KTSIGDBLTOLJCJ-HZHRSRAPSA-N	455.558	6.089	10	40	JKCB	
Cc1ccc(Sc2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)cc1	59137801	WUBBTCCVRMXAHM-UHFFFAOYSA-N	496.613	6.488	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1cccc(Br)c1	59198303	ZUWYQBCXWHXDQV-BOPFTXTBSA-N	482.246	5.124	10	40	JKCB	
CC(C)n1nc(O)c2c(-c3ccc(OCCc4ccccc4)cc3)c3oc4c(O)c(O)ccc4c3nc21	95477676	FOBVTVJKVLRXTN-UHFFFAOYSA-N	495.535	6.317	10	40	JKCB	
O=C1c2c(-c3ccccc3)ccc(-c3ccccc3)c2C(=O)C1c1ccc(-c2ccccc2)cc1	100710332	FLZGKPRTKHXGKG-UHFFFAOYSA-N	450.537	7.850	10	40	JKCB	
COc1cc(/N=N\c2ccc(S(=O)(=O)O)cc2)ccc1/N=N/c1ccc(O)c(C(=O)O)c1	104388933	CAMUDURGYCTTQC-KATZTRTISA-N	456.436	5.177	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208472028	CEDDPIMNQZDUSE-OCKHKDLRSA-N	492.859	7.361	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223101856	NDCVPGHDYFGWBY-KAYWLYCHSA-N	458.675	6.411	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	223759959	UCXZMMOXDHYVNE-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223855455	IFSNRBQDLCVBNG-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463306	GWZCUXQRMYFYKW-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4F)o3)SC2=S)c(Cl)c1	408600817	GJEQHXSORONLEW-VXLYETTFSA-N	490.940	5.733	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)c([N+](=O)[O-])c2)cc1	408786318	PIHOFKIWMHMANS-LDADJPATSA-N	461.861	5.936	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2Cl)cc1	408872944	LQBKVHCIXIYTEL-PDGQHHTCSA-N	464.880	5.033	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408885080	XBOSUJWNHOVGJH-OEAKJJBVSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)cc1Cl	408991819	RAIDVKFOIDJNEE-UNOMPAQXSA-N	481.335	5.547	10	40	JKCB	
CCCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1OC	409049401	QQXHXDWHOZKBSG-UKTHLTGXSA-N	454.395	5.376	10	40	JKCB	
COCCCN(Cc1c(O)ccc2cc(-c3ccccc3)c(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12	524729183	HQFRYVSQJDWLRR-RPLLCQBOSA-N	490.644	5.269	10	40	JKCB	biogenic
Oc1c(Br)cc2oc3c(c2c1CNc1ccc(I)cc1)CCCC3	1773390	QZIJQIVOZMQRHG-UHFFFAOYSA-N	498.158	5.996	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1	2281601	KJDKVJNJZWLJAF-FYJGNVAPSA-N	466.415	5.791	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1	9444158	NFLKWFDEPAPYKB-AMQBKCJUSA-N	480.611	5.040	10	40	JKCB	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2cc(Br)ccc12	12062944	RSVMFULZIFJWLF-FQEVSTJZSA-N	471.395	5.391	10	40	JKCB	
CCOP(=O)(OCC)[C@@]1(C)N(C)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2C1(C)C	12524072	RZJCWNDGWHLXDR-VNRABVQOSA-N	460.471	6.720	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	13895000	SAAHPDYJAURWHB-XYGWBWBKSA-N	456.542	5.288	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O	14132722	VVRJDWNEKOBUBG-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1NS(=O)(=O)c1ccc(C)cc1	16310652	KIVILYFEPHCLEF-PGMHBOJBSA-N	462.600	5.315	10	40	JKCB	
CN(C)c1ccc(/C=C\c2cc(/C=C/c3ccc(N(C)C)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	16926321	UBMDHWQGZWPJDD-JTAXDKCCSA-N	458.518	5.976	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	33689857	PKKQALZIXCBMFT-WQRHYEAKSA-N	477.991	5.237	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)cc1	33908245	MKQHMJDVHYFKKT-DEDYPNTBSA-N	452.513	5.659	10	40	JKCB	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)cc1Cl	33928968	LJHSJKAFHWGMDG-HYARGMPZSA-N	498.073	6.591	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	37170883	PSGLXRYZKUVHBK-SWYRRKHMSA-N	476.414	7.172	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OCC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1	41083098	XDGSEAQFWVYUIW-IFSHFEHQSA-N	481.534	5.453	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	41108192	JGCZWUAGRATXCK-VOKATDEVSA-N	487.560	5.218	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)cc1C	59198154	ZGZWRDIHNPYTKC-LPYMAVHISA-N	492.373	5.980	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)cc1	59536411	OMCBFCFSEKNCLV-HAHDFKILSA-N	465.571	6.209	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)ccc1Cl	106685761	NAEMGZPSFXJCCH-GRSHGNNSSA-N	474.321	6.188	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	224209135	IZUFCNBVPDCNFJ-DQEYMECFSA-N	453.615	5.678	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224341992	ZUKJCVNSINQLAO-RRPNLBNLSA-N	467.642	5.932	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1O	224434017	MCJBMDGKOJKYNG-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608788	WKCIDWOORMGXGZ-FTJBHMTQSA-N	498.608	5.378	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	260920962	NRJFYISLYALMEH-RPBOFIJWSA-N	455.631	5.281	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c1C	408962293	YFKQTRGHSJCJES-IWIPYMOSSA-N	487.625	5.948	10	40	JKCB	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O	409217803	WTHSSPPYDBOGSG-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1c1ccccc1F	409338167	FCXLOEQQTDXEON-FMCGGJTJSA-N	496.991	7.027	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409350729	SIFMAGCVKGSMER-UCQKPKSFSA-N	492.578	5.897	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c(C)n1-c1ccc(OC(F)F)cc1	3361495	FCSAORXOVWBKOO-UHFFFAOYSA-N	499.495	5.449	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1	8821760	GEDMIQUBMRERIZ-BWAHOGKJSA-N	490.028	5.712	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1	9015722	XPEPMBPPFRKPAJ-MCEYFSPLSA-N	488.927	6.114	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)o2)cc1Cl	9191923	AVCDXZRREDLORO-NVOZUQLISA-N	481.021	6.888	10	40	JKCB	
O=C(c1cccs1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9234445	NLQRIIFGZITTRC-KWXIBIRDSA-N	487.580	6.064	10	40	JKCB	
Cc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1-c1ccc(F)cc1	12549227	WJFKNCHXUXDSTF-UHFFFAOYSA-N	484.524	5.039	10	40	JKCB	
O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(Cl)cc21	12615202	UDRWFAANOOMZPY-UHFFFAOYSA-N	488.930	6.583	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)ccc1OC(=O)c1cccs1	16185317	APXVEBPKSAJNGV-QGMBQPNBSA-N	487.364	6.089	10	40	JKCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	17167678	CBXMCKFQJGCLMR-MGKUZBKYSA-N	489.015	6.490	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c1C	33405014	ZSZREAJWOLXWEF-KOKPDDJTSA-N	467.598	5.518	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58849152	ZEPSDGVKMUICEN-LZCXECNNSA-N	491.569	5.621	10	40	JKCB	
CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1Br	59135150	AMQHBSOOORFWQT-NTUHNPAUSA-N	467.678	5.147	10	40	JKCB	
CC(C)c1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1	102671687	VIQPEYAMIVDDQB-RBZQAINGSA-N	499.950	5.159	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106689777	YSUIXYIJAUTIMR-NHDPSOOVSA-N	474.479	6.489	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223501306	BZUHIKZDZGUPEB-VPUSJEBWSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)cc1	223551456	RDBQYEHUETWOMW-SDLXJUDFSA-N	461.631	5.327	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223561017	SQDZHXOKVQYVBA-HUCUOGIVSA-N	465.594	5.158	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224233961	HGJQXHAYLPZSGY-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224238688	DIGJSLAARYABNZ-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224299522	RFFKINREVMGBDK-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2Br)N1c1ccccc1	408762193	DETGHTNWSWZOQO-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2c1	408778077	AGVFJSLRNCTMLQ-CPNJWEJPSA-N	499.350	5.610	10	40	JKCB	
COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)S1	408803680	SAJJLBCIIDQLNU-UHFFFAOYSA-N	468.602	6.327	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)c(C)c1	408865288	CVZINKXVBCZILZ-RCCKNPSSSA-N	489.369	5.323	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(Br)ccc1OC	408995165	AIEORYBJKTXFBM-MOSHPQCFSA-N	470.363	5.342	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)o2)cc1	409008091	SZILASILPOUWTM-UHFFFAOYSA-N	492.487	5.317	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2C)o1	409043179	ZZOYCVVYCDOJDC-ZSOIEALJSA-N	466.793	6.410	10	40	JKCB	
COc1cc(OC)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Br	409051713	FTDJRIMEDLUKLF-NVMNQCDNSA-N	464.406	5.176	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1	409056801	ISSJBUOQNMZUKA-UHFFFAOYSA-N	461.008	5.642	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc(C)c1Br	409198148	YGMCIBTUSODMPX-YZSQISJMSA-N	497.436	7.692	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1Sc1ccccc1	409220603	CACZBSIRTFHRLJ-VKAVYKQESA-N	450.972	5.323	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409331266	NHPXUGQVNOAMLP-GRSHGNNSSA-N	483.502	5.336	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1OCC	409347859	NDIMLPVRRQYNFZ-CPNJWEJPSA-N	463.024	5.609	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cc(Cl)cc(Cl)c3)C2=O)cc1	1182504	JNGZQFDCMUFWRP-CAOOACKPSA-N	451.400	5.532	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(O)N(c4ccc(Br)cc4)C3=O)c2C)cc1	1307167	FSYUPFNPUPUHQS-HMAPJEAMSA-N	492.373	5.290	10	40	JKCB	
COc1ccccc1-c1c(C(F)(F)F)oc2c(CN(C)Cc3ccccc3)c(O)ccc2c1=O	1782087	SJYNQLGOZIOHSG-UHFFFAOYSA-N	469.459	5.825	10	40	JKCB	biogenic
O=C1C(=Cc2c(Cl)cccc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	3771392	OMXJWKZLYWZBGS-UHFFFAOYSA-N	453.350	5.742	10	40	JKCB	
Cc1cccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c1	8742628	PYMNDUIUCOVGTQ-KGENOOAVSA-N	463.921	5.344	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1cccc2ccccc12	8952253	WTSLLZSVWXWYNK-WPWMEQJKSA-N	497.641	6.829	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC	13117015	FEMIMOOGQCCFGX-JLPGSUDCSA-N	482.565	5.639	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccccc1	15011616	NFYGYALFIWYCRE-HMAPJEAMSA-N	452.000	6.320	10	40	JKCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	26531646	IRMWWONYJGHRQL-LGVQKSJGSA-N	496.702	5.019	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(C)cc1	33456843	LFJKNSUNGOFYPF-BTVXTAIASA-N	469.628	5.353	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	83302467	ZWEXRYCUUSZHHL-HZHRSRAPSA-N	482.026	6.724	10	40	JKCB	
CCCCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C	96193302	XCSOTCCFNQNZFX-BOPFTXTBSA-N	491.769	5.786	10	40	JKCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	101076130	NBVUTOWQEBFCTK-PFBJBMPXSA-N	499.522	5.049	10	40	JKCB	
O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O	101429913	HJVPEMFHYXOOPR-FLWNBWAVSA-N	462.465	5.861	10	40	JKCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	112297548	DLBVPURQWUWYJI-BWAHOGKJSA-N	472.570	6.635	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)SC1=S	208656837	BAXBYWMLBRLGIP-WQRHYEAKSA-N	496.423	5.787	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222965655	FJSMSPVTXHRZCY-XZOQPEGZSA-N	483.479	6.024	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	223425109	VDPBYEGXTFRYAI-URLMMPGGSA-N	496.680	6.287	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1	223995969	UVSIIMBCTNEVLL-SXOMAYOGSA-N	497.624	5.325	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224209197	ASUGBDCGEBFZLE-CLJLJLNGSA-N	453.615	5.678	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O	224401694	GGRDVIKGVFYIJM-LOSJGSFVSA-N	486.572	5.504	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	224416825	LAMRWUBDZKHOQO-DQEYMECFSA-N	458.562	5.506	10	40	JKCB	
Nc1c(N=Nc2cccc(/C=C\c3nc4ccccc4[nH]3)c2)cc(S(=O)(=O)O)c2ccccc12	245238939	CRCOCKHORNPKSY-PWTHMAPTSA-N	469.526	6.131	10	40	JKCB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)O)o1	408634003	QWBBTUHRTVOJPH-NHDPSOOVSA-N	499.951	6.163	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	408743746	UVPYBIOJUZCRDT-LFIBNONCSA-N	487.817	7.041	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1	408819030	XTJQYJNOWVDJMW-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1	408841777	LGCPQJXWGCVZLX-DEDYPNTBSA-N	482.721	5.845	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1	408881216	KGJOJJUPZRDPHA-KGENOOAVSA-N	479.363	5.867	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1	408984653	JKBJPXZWSZHPNC-XKZIYDEJSA-N	495.362	5.801	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)NC1=S	409148245	XVHCDKWWNFDKQC-HMAPJEAMSA-N	478.599	5.231	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O	409239594	HORDBJJFSNBJJG-CPNJWEJPSA-N	450.947	5.032	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O	409239870	RFHHPDNPESWRNX-BUVRLJJBSA-N	481.017	6.773	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C	409350598	RZEKRPWITGRPII-BKUYFWCQSA-N	470.616	5.057	10	40	JKCB	
Cc1ccc(-n2c(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)nnc2-c2ccccc2F)cc1	3393316	GUJSLVVTCFWHGZ-UHFFFAOYSA-N	496.611	6.764	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	6198462	KZGXJRKJTIIQSR-BUVRLJJBSA-N	495.004	5.476	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1	8820773	HSIWYCSFEVVDQD-ITYLOYPMSA-N	471.626	6.503	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)cc3)C(=O)N=C2S1	9291706	QCJHTOGBYUAROZ-XTOVRFJNSA-N	492.601	5.208	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c1	9293331	OGPLFODQEYFJSP-BIRLBKGPSA-N	453.571	5.378	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4ccccc4Cl)c4ccccc34)C(=O)N=C2S1	9309748	BFXBBUFZXNGDRS-XGCFFSCVSA-N	476.989	5.931	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C2=O)cc1	9477318	UOKRPVDFBNPKHR-ONUIUJJFSA-N	463.537	5.476	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2\C(=S)C(C)(C)Nc3cc(C)ccc32)S1	12524277	NNHBWXPQVORCGW-PTGBLXJZSA-N	453.654	6.650	10	40	JKCB	
Cc1cc(OCC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C)C1=O	13540162	XMBCHQXLQMGJQI-XKZIYDEJSA-N	463.628	5.714	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1nc2ccccc2s1	15906115	BQPYNQGXJUMVBI-WJDWOHSUSA-N	491.566	5.128	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1	16401739	KFDPHHYSTUFYGC-NDENLUEZSA-N	495.850	5.473	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	33654607	LQTURPMVSIJPFE-XVCGDLFISA-N	483.597	5.355	10	40	JKCB	
COc1ccc(OC)c2c1N[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1CC=C[C@@H]21	36080629	ODVROXNLTAIKLG-UFPGJGBJSA-N	458.514	6.018	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC)c(OC)c2)N3)c1	58848807	DIANVAIYGNRJMH-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	59186131	YMFPCEJVDPPZJW-GRSHGNNSSA-N	487.308	7.508	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)C(=O)N1c1ccccc1	83297162	SQQUIANTDUCKEH-LFVJCYFKSA-N	482.923	6.579	10	40	JKCB	
O=C1C[C@H](c2ccc(Cl)cc2Cl)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1	96114864	UOPSCSVSQQJKGS-CQSZACIVSA-N	469.276	5.619	10	40	JKCB	biogenic
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	208241866	LMHMLWTZDAREEX-VVSAQIQQSA-N	472.372	5.382	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc2ccccc12	223342106	CANHWWUVMNOJLP-IZLXSDGUSA-N	478.621	6.408	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223405536	AMJYVAPGMMBTDX-KAYWLYCHSA-N	496.636	5.448	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1C	223500776	YYQMRIUZEJTRPA-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1F	223895301	ZZIKWCIGTRJSLY-SVBPBHIXSA-N	485.632	5.871	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	224400105	DDFCKMTYSNAOKX-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224529731	PXWRWYZTADTBIN-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)ccc1F	224899193	IIIARRQGQLVKPI-IZZNHLLZSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(F)c1	225043879	CMSGJHVNHSVGTB-NSOVKSMOSA-N	499.659	6.103	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O	260564936	FXADDSDOPNLKRK-OLIBUNOHSA-N	498.048	6.045	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	260914726	HBICLFCTJSZYDI-LOSJGSFVSA-N	491.060	6.249	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)SC1=S	408571989	DSCXGQONRWCSJG-ZDLGFXPLSA-N	480.533	5.333	10	40	JKCB	
Cc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1cccc(C(=O)O)c1	408632643	GGXBOIWXFXGFOT-NDENLUEZSA-N	495.944	5.714	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccccc2F)cc1	408743246	RRVIGUAUATYKBH-CPNJWEJPSA-N	451.291	6.149	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Br)cc1	408753532	NFNPPMHLIJDCDD-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(Br)c3)C2=O)c(OC)c1	408755402	LBKVZBLAXLAZCL-LPYMAVHISA-N	477.358	5.609	10	40	JKCB	
O=C1C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408763658	JJBOGQRSPVEYDB-UHFFFAOYSA-N	466.518	6.014	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1Cl	408788462	FRHMXJIDEDHYFF-CPNJWEJPSA-N	474.900	5.815	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc(Cl)c3)C2=O)c1C	408817923	WQPXYIXTRRRVSU-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2cccc(Cl)c2)C1=O	408818475	WZKFWDNASGRSQM-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2cccc3ccccc23)c1	408868916	OFGQKNNDNYMATG-XYGWBWBKSA-N	494.572	5.259	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(C=C3C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)cc2)c1	408873002	QRCUGOOQCWJEGO-UHFFFAOYSA-N	486.571	6.478	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409015089	AIXCMIQEDCTMEB-PKAZHMFMSA-N	482.624	6.595	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)o1	409334315	WUDTVYZYFXRIFC-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)cc1	409334943	YCMCAHZJCYAICB-BKUYFWCQSA-N	464.568	5.207	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	409339830	ZEYQFVXZENONAR-JCMHNJIXSA-N	476.579	5.119	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	2257979	ZVDQZUMZOLJCGL-QNGOZBTKSA-N	465.669	6.263	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c1	8821545	JPENUOOSVHHDKL-CIAFOILYSA-N	464.524	5.772	10	40	JKCB	
Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)c(C)c1	8871908	BRZIEIASVZCUMO-UHFFFAOYSA-N	483.589	6.797	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C(=O)N=C2S1	9322285	DRAHEQGDDYDJAW-SUYASHRRSA-N	457.559	5.140	10	40	JKCB	
Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1-c1ccc(OC(F)F)cc1	13129249	QNRJXGQJDYHAEX-UHFFFAOYSA-N	489.525	6.188	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4ccc(OCc5ccccc5)c(Cl)c4)C(=O)N=C3S2)c1	13940628	ONBHRYZALAWGJL-OAXZUEFOSA-N	486.984	5.895	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Br)c4)c3C)S2)cc1	16161869	IGKBVJIDPZFWHM-RWTNITNYSA-N	482.447	6.019	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(O)=NC(=S)N1c1ccc(F)cc1	16944611	KNVQLKVPENBMKQ-YBEGLDIGSA-N	461.301	6.064	10	40	JKCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1	20490216	YQDSTMNNXXOAPI-UHFFFAOYSA-N	484.021	5.061	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H](C)CC)C2=O)cc1F	26533576	BCODIZRNKOXFFE-SITPEIFSSA-N	481.618	6.077	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)cc1	32124608	XKQJWAULUDQFIE-FYJGNVAPSA-N	499.038	7.114	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCCOc1c(C)cccc1C	33430164	GTFXIRMVADAPGC-QNGOZBTKSA-N	457.617	5.381	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)c3ccccc32)c1	59135961	DFJWHTWWZOOZDL-KGENOOAVSA-N	469.541	5.809	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1C	59336726	QKCURIDVSASCRJ-BOPFTXTBSA-N	455.297	5.537	10	40	JKCB	
CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	107867853	GARWADPZUPGSIS-ZQHSETAFSA-N	486.601	6.332	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)SC(=S)N1c1cccc(F)c1	113830312	QXWCHXKKQJWNJC-KEBDBYFISA-N	497.485	5.840	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)[C@@H](C)CC(C)(C)N2C	208235521	ZUVRZKVVEVIGNL-RSZPVBOMSA-N	461.631	5.165	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc21	208469259	LBVMECPGGLMUBR-YBFXNURJSA-N	480.033	5.420	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	208665917	UUWNOLUOOXRGHI-ZDLGFXPLSA-N	487.902	5.822	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F	223095320	WRWVQIPQTKFJNU-JWQCQUIFSA-N	498.618	6.813	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C(=O)O)cc1	223099857	JNXXGOQRQAQFED-JWQCQUIFSA-N	474.630	5.493	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c(C)n1-c1cccc(Cl)c1Cl	223619858	AGWDQUDTJBTYQT-VXKWHMMOSA-N	475.445	5.151	10	40	JKCB	
C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1	223828188	DFJYGOGRJAYNRA-TTWQBBKJSA-N	459.615	5.387	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607044	YGHJRDBGVYTGHT-XNMGPUDCSA-N	468.626	5.989	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(F)cc3)C2=O)cc1	408761435	KECMCEIELJGKLM-RCCKNPSSSA-N	475.976	6.594	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408866414	FQUHCQSBONEWCI-YBFXNURJSA-N	485.754	5.904	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12	408869010	QXDDWGNXZWQRLF-JCMHNJIXSA-N	484.458	5.363	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1Cc1cccc(F)c1	408872050	JQQHOMNJWUNUST-XDHOZWIPSA-N	469.299	5.390	10	40	JKCB	
Cc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc2n1Cc1ccc(Cl)cc1	408971122	MPPKWBKHPQGGMO-HAHDFKILSA-N	493.916	7.000	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cc(Cl)ccc3OC)C2=O)cc1	408987276	VSDPCSBGBADWGC-XMHGGMMESA-N	466.364	6.872	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OCC(C)C)C2=O)cc1	409049773	YNIBUMZNDVSZTO-VCHYOVAHSA-N	477.344	5.093	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409059536	QNCFJNXFQXBJMA-IWIPYMOSSA-N	460.961	5.933	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1CCc1ccccc1	409123045	DJWXFMIPEJYEDY-XHPQRKPJSA-N	484.646	6.164	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	409246584	IZOGXXNZMLKHPA-KGENOOAVSA-N	464.999	5.631	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1	409247199	CJVJCERUEVZRMF-XDHOZWIPSA-N	495.944	5.463	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	409339769	YBMWSWOQCRKTTK-WOJGMQOQSA-N	493.404	5.548	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)SC2=S)cc1C	409345849	LPQMARGSKSCSIE-YSMPRRRNSA-N	486.637	7.160	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1	409347561	MBROIVSFABBBHV-HZHRSRAPSA-N	492.578	5.978	10	40	JKCB	
COc1ccc(-c2nc(-c3cc(C)n(-c4ccccn4)c3C)[nH]c2-c2oc(C)cc(=O)c2O)cc1	1547208962	YKUZAAYFYVJXRW-UHFFFAOYSA-N	468.513	5.189	10	40	JKCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	2371103	JAFBOSDWMHQKBG-HYARGMPZSA-N	463.921	5.653	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cccc(C)c5)c4C)C(=O)N=C3S2)c1	2402962	OYFOZOLSZKBVLR-HGMBWOCJSA-N	453.571	5.378	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9307262	CGLWAAMIDVWZBD-VAXYQBTPSA-N	459.962	5.415	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9309160	VOKUSLXWNAEOIE-DZCSLESKSA-N	494.407	6.068	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1CC	9763109	LQKGEKKNXYDCLB-UYRXBGFRSA-N	464.008	5.248	10	40	JKCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccccc4OC)C3=O)o2)c1	34877975	AAGVELQQNQNFJF-STZFKDTASA-N	465.552	5.538	10	40	JKCB	
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	35848259	OZBUWUCMKVRRFD-CYXNTTPDSA-N	479.551	5.874	10	40	JKCB	
CCOC(=O)[C@@H]1[C@H](c2ccccc2OCC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35848476	SUMXYCURLOGNBG-PVHODMMVSA-N	493.559	5.082	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1ccc(Br)cc1	41108863	WILQQBKULGJXOX-GDNBJRDFSA-N	489.684	6.008	10	40	JKCB	
Cc1ccc(/C=C2/SC(N3N=C4/C(=C/c5ccccc5)CCC[C@H]4[C@@H]3c3ccccc3)=NC2=O)cc1	51330098	WXSSLMSYHIVNMT-MSLWZJPASA-N	489.644	7.262	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58849268	YHAZUSFWPRBSQE-OREGWCPLSA-N	492.597	5.340	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCc1cccc(Cl)c1	107727154	DLNLAGDZCUAPHJ-IWIPYMOSSA-N	479.001	6.709	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(=O)OC)c1C	222989126	KOVHLAPZNZFARZ-BJKOFHAPSA-N	462.619	5.048	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223420281	BDTCHJWVXQAIRE-RRPNLBNLSA-N	486.616	5.810	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223465114	ALPHJRMNCGAKHE-VPUSJEBWSA-N	467.642	5.674	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Cl	223496556	JKRXREILVSFECR-LOSJGSFVSA-N	474.033	5.710	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	223955322	ZVWLOKNZSFCNRW-NSOVKSMOSA-N	495.652	5.194	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	224204859	HHDOOVMCFGGYFJ-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224205046	XGAQJQOWWWTKPM-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438627	PMCIRNJPVXBSAH-XCZPVHLTSA-N	484.644	6.676	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224538545	YCNFYRZORCFBFA-UIOOFZCWSA-N	469.614	5.378	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(F)c1	224602681	WTRWVYLFCZJSHL-LOSJGSFVSA-N	458.562	5.511	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224607984	BTKHLHLYVKMUDJ-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21	260914766	HDZAMWLOJPXLJU-DQEYMECFSA-N	481.109	6.672	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408784483	SZZAYJNFNYJETG-XKZIYDEJSA-N	495.406	6.587	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCc2ccc(Cl)cc2)c1	408804073	VLNPVZVMXDOMKS-YDZHTSKRSA-N	490.943	5.211	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)c(OCc2ccc(Cl)cc2Cl)c(C)c1	408850534	BNXLDCIALKLPME-YDZHTSKRSA-N	465.380	6.995	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2ccccc2F)c1	408878592	AVLIPNOFMKXSAV-XDHOZWIPSA-N	494.906	5.042	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccccc3F)c2)SC(=S)N1c1ccc2c(c1)OCO2	409341773	BZKPAZMGVSWLAF-SSDVNMTOSA-N	465.527	5.539	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1O	409352111	WHKYKJSZZHOWSK-CAOOACKPSA-N	450.379	5.186	10	40	JKCB	
O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1c1ccc(Cl)cc1Cl	409355010	BBXJPAXRCAAUSJ-SYZQJQIISA-N	455.300	5.036	10	40	JKCB	
Cc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2N)C(=O)c2ccccc2C3=O)cc1	2227773	XWIYHMRZEWLACC-UHFFFAOYSA-N	454.529	6.477	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1	2648815	MAOOGHQHUHHWNC-MHZLTWQESA-N	498.554	5.521	10	40	JKCB	
N=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN12	8983917	MQZGUITVODORGC-WJOFZGQRSA-N	497.624	5.920	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c1C	9292174	GLWCBIOBMDDHKN-VMJYKDGMSA-N	487.673	6.691	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2ccccc2)SC1=S	9730545	UKQOGKLHCTVTEP-AQTBWJFISA-N	464.406	5.128	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccc(OC)cc2)N2CCCCC2)c1O	11867327	KCVHBNKQBLABRJ-DEOSSOPVSA-N	490.625	6.077	10	40	JKCB	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]23)cc(Br)c1OC	12418434	XYHKYEBAJQBIPV-VLXJIEOASA-N	455.179	6.600	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	33387951	ADPAFCMKFCUWDU-UCQKPKSFSA-N	465.571	5.815	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)c(Br)c3)C(=O)N=C2S1	41083668	LPESIUULBQSQRP-OUQLGABESA-N	472.339	5.334	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Oc4ccc(OC)cc4)cc3)c2C)C(O)=NC1=S	59182294	CBROVBBHDRLJGU-HZHRSRAPSA-N	475.570	5.382	10	40	JKCB	
O=[N+]([O-])c1cc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl	59267074	BPUOMXAUWVDETM-VBHSOAQHSA-N	452.679	5.679	10	40	JKCB	
CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)c2ccccc2C(=O)[C@@H]13	104371893	JEWNLRSIOYOUSQ-DCMDJXMHSA-N	460.614	6.208	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1c1ccccc1	113833564	JZTHBKQARHVMMO-OEAKJJBVSA-N	461.011	6.749	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223898022	WEXTWCBOAKAGQD-IZLXSDGUSA-N	497.668	5.741	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224397915	DDINZKWMUBSGRE-CLJLJLNGSA-N	456.590	6.114	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224622721	RORKYQWFPIJZFR-IZZNHLLZSA-N	498.608	5.158	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(-c2ccc(I)cc2)o1	408744224	XKTALGIZVJLTOA-RVDMUPIBSA-N	474.681	6.186	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408816392	LLNDZLCTMGMRSA-LFVJCYFKSA-N	498.991	5.904	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccccc1OCc1ccccc1	408851771	FZVXLWFPIIHRJL-GHRIWEEISA-N	483.376	5.404	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2Cc2ccccc2Cl)C1=O	408868626	NECCNAOWXSMJMO-XSFVSMFZSA-N	465.336	5.559	10	40	JKCB	
O=C1C(=Cc2ccccc2OCc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408876060	IYJXTLPDLAZEKH-UHFFFAOYSA-N	474.516	5.849	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)cc1	409031547	HBYLONZHFSDRDP-LICLKQGHSA-N	475.417	5.604	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409053002	GBJPSRDAPNXJLK-XKZIYDEJSA-N	494.950	5.772	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409057457	QHCWDOBHVWLRQK-BKUYFWCQSA-N	498.476	6.129	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1	409068672	HNRFGBUVMOIVPX-RVDMUPIBSA-N	494.256	5.469	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1C[C@H]1CCCO1	409126274	FENZVFWDYMBXGP-NLKUQUHMSA-N	482.602	5.240	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)c1	409243944	ZJDGHAVKIFNZEY-LDADJPATSA-N	470.472	5.414	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O	409327978	OOMGINZOHRPCSU-BOPFTXTBSA-N	452.370	5.783	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21	6475533	LPWKMALQNCFLOY-DPZBCOQUSA-N	462.505	6.794	10	40	JKCB	
CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	8819664	XZLCSBTZVLEUTE-FXBPSFAMSA-N	454.617	5.486	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(O)=NC2=S)c1	8997634	PUQKBHGNIZVGJW-OEAKJJBVSA-N	459.571	5.473	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1	9188741	KAPKCSQEUGIQKO-HAHDFKILSA-N	490.606	5.129	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(I)c2)c1C	9259234	CPSLFUJBRBQDGQ-LPYMAVHISA-N	481.337	5.505	10	40	JKCB	
Cc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(NCc3ccccc3)=NC2=O)c1	13096679	QNOLJEMWHJRHGE-JLPGSUDCSA-N	450.567	5.608	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	13940426	LTCLIYRJZLYMDN-PQBVRSPLSA-N	490.947	5.726	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)c([N+](=O)[O-])cc1OCCC(C)C	16349996	MODSOLMFWGSFLA-WQRHYEAKSA-N	481.505	5.152	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Br)cc1	17264883	FGFCJOKBNMVYJZ-PDGQHHTCSA-N	491.179	5.479	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)cc2)cc1	27549297	ZQGMWRNSELRMSX-MBTLPQJVSA-N	496.592	5.429	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1C	33717788	PPMWVRFOFZJHPW-VKPUNFQASA-N	453.571	5.378	10	40	JKCB	
Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	96759153	ARWWJQGBHOQSAM-DEDYPNTBSA-N	465.582	5.326	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1OCC	98087035	UURLZCHYTFKXRQ-UNOMPAQXSA-N	478.433	6.042	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224235183	QPAANWBXRIZQTE-CLJLJLNGSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1-c1ccccc1	224885628	GTFQCAVSWSFXFX-BJKOFHAPSA-N	460.990	5.717	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)cc1	408578530	YLUZPFNMHXWDTQ-HAHDFKILSA-N	474.607	5.414	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)c(C)c2)c1C	408757986	SZVSWWDGTXNUDS-RGVLZGJSSA-N	487.818	6.872	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(-c2ccccc2)n1-c1ccccc1	408768468	WWZSTWJOBWREEC-LFVJCYFKSA-N	481.939	5.773	10	40	JKCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	408780021	QCOVXXRKRAUSNM-GRSHGNNSSA-N	461.389	5.730	10	40	JKCB	
COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1	408812849	XJEYYUXRNQOOCG-UHFFFAOYSA-N	452.987	5.828	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(Cc3ccc(Cl)cc3)c12	409125820	KNDZTLROANZISA-UUYOSTAYSA-N	469.075	6.763	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccccc1Br	409135054	PKUBMPNZOPPNBM-FYJGNVAPSA-N	473.436	6.473	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)c(C)c1	409136785	ZMWQWWPIEXMIPK-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C)cc1	409342003	DHJHEQIIIFKPKI-QRVIBDJDSA-N	492.578	5.897	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN(CC(C)C)CC(C)C)c1O	1833052	BQABPIQRLNSCFS-UHFFFAOYSA-N	464.631	6.452	10	40	JKCB	biogenic
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1	8995588	VAEYJOSBWQAWHS-OEAKJJBVSA-N	453.473	5.331	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	9076116	UWRQOBHLDFNQBV-DFIYOIEZSA-N	470.481	5.427	10	40	JKCB	
CCCCOc1ccccc1C=C1C(=O)N(c2ccccc2C)C(=S)N(c2ccccc2C)C1=O	9232670	ZDXAPDCKYXLEPV-UHFFFAOYSA-N	484.621	6.231	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N=C2SC(c3cccnc3)=NN12	9424782	YXBWEQGHBLPMRO-WKDARJRMSA-N	489.560	5.481	10	40	JKCB	
COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	70453929	VORZIFUDIILVOZ-UHFFFAOYSA-N	491.525	5.369	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C/c1c(F)cccc1Cl	100275275	DRTKYXFWLSMWLT-XNTDXEJSSA-N	450.691	5.119	10	40	JKCB	
CCCCCCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1OCC	107625049	XICOBESDRUSCDV-CJLVFECKSA-N	459.011	6.780	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2C(C)=CC1(C)C	208531188	KUGDRKYWIZAFTQ-QRVIBDJDSA-N	493.604	5.831	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2C(C)=CC1(C)C	208533637	YUJFIMUZHBJNSB-UCQKPKSFSA-N	475.614	5.692	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Cl)c1Cl	222833334	SXMZREKDAPEQIR-VXKWHMMOSA-N	459.446	6.177	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cc(Cl)ccc1O	223377056	LANFDFWLUHMCOR-IZZNHLLZSA-N	489.044	6.021	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	224301729	BUTREYHFABYUTJ-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224304077	ULAQSXYNUOGALG-URLMMPGGSA-N	495.696	6.349	10	40	JKCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1	408526353	BBTDRWJRBDJTAB-PCLIKHOPSA-N	483.612	5.658	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)Nc1ccc(F)cc1	408576585	PYAQHGZTYBAHCG-HMAPJEAMSA-N	478.570	5.245	10	40	JKCB	
C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=O)Nc1ccc3nc4c5ccccc5c5ccccc5c4nc3c1)C2	408736000	ZMZJWPDVLSGCCT-DYXWJJEUSA-N	474.608	7.378	10	40	JKCB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\SC(=S)NC3=O)c2-c2ccccc2)cc1	408743701	ULTAGQUVRNXSKN-BWAHOGKJSA-N	482.630	6.699	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409094334	DENANYAGPBKXTK-XFXZXTDPSA-N	496.133	6.227	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1	409101815	YXWKJOQYTOOVBE-DEDYPNTBSA-N	468.962	6.137	10	40	JKCB	
O=C1/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC(=S)N1Cc1cccnc1	409135193	VOVWTAOBRKVQJW-XYGWBWBKSA-N	485.634	5.907	10	40	JKCB	
COC(=O)c1cc(-c2ccc(/C=C3/SC(=S)N(c4ccccc4OC)C3=O)o2)ccc1Cl	409334990	YGDPKEZERMPKHZ-UDWIEESQSA-N	485.970	5.801	10	40	JKCB	
COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)c(OC)c1	752977	IABMWESSRAAVQJ-UHFFFAOYSA-N	454.364	6.079	10	40	JKCB	
CCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2	2083705	GZVZKYAMEZKVQF-RUZDIDTESA-N	477.678	6.950	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(OC)c3)SC2=S)cc1	8821390	OMRRIVUABJUCTN-IWIPYMOSSA-N	496.053	6.896	10	40	JKCB	
Cc1cccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4c(C)cccc4C)C3=O)c2)c1	9849467	HJJJBDLFMHZJHZ-BWAHOGKJSA-N	489.662	6.866	10	40	JKCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN(CC(C)C)CC(C)C)c(O)ccc3c2=O)c1	19793134	UTCKMKJMMZICQY-UHFFFAOYSA-N	491.550	7.041	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)cc1	20324792	YVGGNTKYPCUMBG-UNOMPAQXSA-N	458.029	6.940	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc3C2)cc1	22419123	RVUFBEXOABUQMV-VWLOTQADSA-N	483.443	5.981	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)c1C	24992795	XFYNTUIPARGKOD-UHFFFAOYSA-N	467.013	5.069	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OC(=O)c3sc4cc(C)ccc4c3Cl)cc2)SC1=S	26965832	NMKUGSDWKNAGMF-BOPFTXTBSA-N	474.028	6.303	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)C2=O)c1	27520656	ZVZLWJSRYANFIM-WQRHYEAKSA-N	464.861	5.422	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(Nc4cc(C(=O)O)ccc4C)=NC3=O)o2)c([N+](=O)[O-])c1	35043089	RZCRWSFKAUKLFS-JAIQZWGSSA-N	463.471	5.252	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	58846471	ORDHKUKMWWDFAJ-VVZHRXSXSA-N	474.582	5.629	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)c1	58847006	WAGAOVYGTITFGN-ANSQWYIGSA-N	480.561	5.470	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208223761	ZGARZQWIWSMNPG-YSUUHWHMSA-N	455.023	6.607	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223601572	NYFYKDWVMMVHPX-NEIHUHTASA-N	480.008	5.815	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224401402	ORLCKLFTKQSOIJ-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408860582	ZDLLJMQOXKMFCG-IWHLBADBSA-N	455.554	6.497	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OCC	408867243	KPPTTZBAHSZWEZ-UHFFFAOYSA-N	486.593	5.622	10	40	JKCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	408965123	GTKFSSLFYBGEHB-ZROIWOOFSA-N	495.746	5.877	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)C2=O)cc1	408986016	ZBLWBGJRQIYCJR-NDENLUEZSA-N	495.362	5.801	10	40	JKCB	
C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408998864	CJTDQIORPJVSQA-ZNGBCDTHSA-N	488.588	6.539	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022041	IDLRNUQRDLTEKH-UQQQWYQISA-N	473.956	6.186	10	40	JKCB	
O=C1/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1C[C@@H]1CCCO1	409084072	WJFDHGHVEMZHFP-HRVJUDJTSA-N	490.444	5.408	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	409160315	UCNUHDNDKHBECT-IUUKEHGRSA-N	488.731	6.965	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)NC1=S	409172211	DDAOBECAUFDKLH-KAMYIIQDSA-N	473.337	5.093	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4)c4ccccc34)SC2=S)c(C)c1	409332773	RCIYZMJNABRXHC-WGOQTCKBSA-N	468.647	7.021	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	409355220	CHDIFEVAAJAIJZ-LPYMAVHISA-N	450.947	5.667	10	40	JKCB	
COC(=O)Cc1c(-c2cccc(OC)c2)oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c12	604404208	LGGBMMAPNJJPQC-UHFFFAOYSA-N	472.449	5.009	10	40	JKCB	biogenic
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)cc1	1180044	NXJSAHMIWOFYPE-LTGZKZEYSA-N	452.645	5.414	10	40	JKCB	
O=C1C(=CNCc2ccc(Cl)c(Cl)c2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	2092260	JWVHOUORNCJIBS-UHFFFAOYSA-N	478.420	5.423	10	40	JKCB	
Cc1cc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c(C)n1-c1ccc(F)cc1	3442471	GUXMHPCXJBMXKW-RUZDIDTESA-N	485.990	6.930	10	40	JKCB	
CCOc1ccc2nc3cc(/N=N/c4c(C)c(CN(CC)CC)cc(C)c4O)ccc3c(N)c2c1	5573694	ZYQXDYJKPNVUDL-QNEJGDQOSA-N	471.605	6.949	10	40	JKCB	
Cc1cc(Br)c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2	6193478	UITANCGXHSZJNN-PLXFJCCSSA-N	494.860	8.125	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1)c1cccc([N+](=O)[O-])c1	6475289	AQWCLNCEJYOJNP-SKVJQKLOSA-N	461.521	6.827	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1	6973743	KNKIWSBVLOYGQD-FXBPSFAMSA-N	498.376	7.189	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)SC2=S)cc1	8399820	VKQZZKKBTVJWHP-YBFXNURJSA-N	495.931	7.033	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)cc1	8453481	LFKACSYHCDSZFR-SNCYIGMASA-N	467.598	5.518	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nc(CSc3ccc(Cl)cc3)cc(O)n2n1	8762474	YDAFVNQCVDJUAE-UHFFFAOYSA-N	467.019	6.517	10	40	JKCB	
O=C1/C(=C/c2ccccc2)SC(=S)N1CCCCCC(=O)N1CCCc2ccccc21	8819698	ZTOARFJSZZSILB-PYCFMQQDSA-N	450.629	5.428	10	40	JKCB	
CCOc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3O)C2=O)cc1	9262076	FSRSWBWNOOSRSL-AQTBWJFISA-N	452.337	6.569	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(F)ccc3N12	9273950	XPDSVOATPDVUNT-ZNZIZOMTSA-N	451.497	5.157	10	40	JKCB	
CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	9444625	UVECXGDLWRUNCJ-XMHGGMMESA-N	461.008	5.359	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	34696632	KYPGTHLRKAFHMT-MSYYJCCKSA-N	473.646	6.417	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1	35645587	JFUBXMQAPUOPQP-LPYMAVHISA-N	466.946	5.716	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccc(F)cc1	59135428	DWWZONXSEVYOJP-GZTJUZNOSA-N	455.239	5.355	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59138985	VZLSEYMLLARLKE-TURZUDJPSA-N	489.575	6.294	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	101157119	KDWPXBAHHVCUNV-GVAUOCQISA-N	475.976	5.237	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)NC2=S)cc1	107980905	NOHFIPLGSDWOFR-NDENLUEZSA-N	498.435	5.795	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208231065	RUUZCSDFSMZUHY-SLDJAQPHSA-N	451.954	5.037	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)ccc1Cl	214992559	RHCAHHAHRLPPAX-VXLYETTFSA-N	484.873	5.443	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224164521	ZPUJSTNHAOFURY-SXOMAYOGSA-N	452.627	6.229	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224845114	XFGOPBVVDSWLKX-SVBPBHIXSA-N	499.640	5.387	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S	408533319	QGMBIVPEHHDKCP-ZHZULCJRSA-N	455.645	6.402	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1cccc(Cl)c1	408577613	UAXFAXMAOSESFO-BKUYFWCQSA-N	480.998	5.763	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1C	408808517	MHXRQVFQVBAETB-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(F)cc2)cc1	408842574	OSLCFMHXIQNGLO-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(OCc2cccc(F)c2)c1	408886613	KTHXLFUAZGUTDE-UDWIEESQSA-N	494.906	5.042	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1cc(C)cc(C)c1	408894462	IFSKKRJNYYEESU-BUVRLJJBSA-N	498.579	5.564	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1	408939014	LMYRSQKXSNQZDJ-HYARGMPZSA-N	481.777	6.488	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(OC)c3)C2=O)cc1Br	408987814	YOIGTHGPMFHZJO-XSFVSMFZSA-N	476.370	6.328	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408995032	KWUULFMPSAMBGL-MTJSOVHGSA-N	455.004	5.815	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccc2ccccc2c1	409032646	CTNOLJNYGZCLRJ-OYKKKHCWSA-N	463.624	6.285	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S	409197786	OVVIPOLZZIPMNN-QRVIBDJDSA-N	461.587	5.784	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	2185217	FNRXIONLWPIZFZ-QRVIBDJDSA-N	471.563	6.004	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)c2c(NCc3cccc(OC)c3)sc3c2CCC3)cc1	3065998	CNXTZAPKEPORIY-UHFFFAOYSA-N	450.560	5.287	10	40	JKCB	
COc1ccc(Cl)cc1NC(=O)c1c(NCc2cccc(OC)c2OC)sc2c1CCC2	3066011	OQQXETJJVCWWDT-UHFFFAOYSA-N	472.994	5.780	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)c2C)cc1	12568430	VUILXMIHKLFAAG-UHFFFAOYSA-N	494.635	7.214	10	40	JKCB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2	16362328	RZLDUIBSIPFGDS-VVZHRXSXSA-N	465.018	6.584	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)c1C	33563540	ZLNFFJBJXKTBLX-JHKOBTARSA-N	483.597	5.409	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(Cl)c1OCc1ccccc1F	33616157	DCRFJWLDPNKVOV-XKZIYDEJSA-N	482.964	6.458	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)c(OC)c1	35042589	DOXQWMVVCWPPQO-ZVHZXABRSA-N	460.555	5.674	10	40	JKCB	
COc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1OCc1ccccc1	36245366	RCKDNASAROYDBO-MHZLTWQESA-N	463.537	6.125	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C2=O)cc1	41077964	SRCZHGKNTYNZNA-MXJLDLDKSA-N	455.558	5.582	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)c(OC)c1	58845852	UPNBUEZYRMMKIL-XXAUWVGASA-N	476.598	5.640	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58848976	MBHUYKBXUGAJSO-LZCXECNNSA-N	490.581	5.109	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl	58883868	GTUALQRNXRLIBP-LCYFTJDESA-N	457.140	6.177	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cccc4ccccc34)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484886	DGAFELHHGFPYJI-VFCFBJKWSA-N	482.539	6.885	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(Br)cc1	222615851	VNMQOSIEQZEFQH-ARBPTSGCSA-N	467.436	5.841	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	222970623	VRZJNRIQJBSIML-DNQXCXABSA-N	453.055	6.224	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1Cl	223384279	UGGFRFFLJBASNZ-CLJLJLNGSA-N	473.045	6.315	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c(C)c1	225019245	FYAPNXVITWYIEU-XNMGPUDCSA-N	458.675	6.330	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1	408530348	KLOPBYKMZVWUNJ-UUYOSTAYSA-N	463.605	6.281	10	40	JKCB	
CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408639027	DVBOYCDHBUBAAZ-NRFANRHFSA-N	466.537	6.022	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3Br)cc2)C1=O	408887770	UABJVFSLDKUFSS-XSFVSMFZSA-N	491.341	5.003	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc(F)c1	408901596	GSWNPJQKCWDPFH-CIAFOILYSA-N	450.897	5.873	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c2C)c1	408966921	PAHCSILYQQXVKN-HAHDFKILSA-N	460.555	5.507	10	40	JKCB	
O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(Br)c(Cl)c1	408985505	MMUVENNAOKCOTO-SFQUDFHCSA-N	471.181	7.227	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409017139	KMQBSRVITXISJU-IMRQLAEWSA-N	467.565	6.150	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c2ccccc2N1c1ccccc1	409206276	SOZNMGLCXRVLDI-KOEQRZSOSA-N	495.409	8.215	10	40	JKCB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)C1=O	409210328	KBNSETAFSOGPAS-IERINAHZSA-N	496.629	5.490	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1	2323467	ZTRADBMYLGOQOB-UQQQWYQISA-N	497.645	6.339	10	40	JKCB	
Cc1cc(C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OC(F)F)cc1	3284634	TUWUKYNRJYOGKL-IZZDOVSWSA-N	470.428	5.043	10	40	JKCB	
Cc1cc(C(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c(C)n1-c1ccccc1	3299099	IZDDBZIPKGAEET-UHFFFAOYSA-N	497.982	5.155	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccc(Cl)cc1	8683368	FRSALIPXDMWDSD-PTNGSMBKSA-N	464.890	5.467	10	40	JKCB	
Cn1cc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c2ccccc21	9308911	DMHZGFMSFUWCLB-IUXPMGMMSA-N	452.910	6.256	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)c1ccccc1	9434972	NYTKPASAJDWKCA-WPGBELRESA-N	490.943	5.545	10	40	JKCB	
CCc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	9435036	YBFGOEYABCIVIR-LGUFXXKBSA-N	489.662	6.498	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OC(=O)c1ccco1	12629239	KIBVGOSXVDBTGV-PKDRVQFCSA-N	492.557	5.097	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc4c(=O)n5c(nc4c3)CCCCC5)c2C)cc1C	12634841	OQFPBKGXXVXWQS-UHFFFAOYSA-N	497.595	5.187	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1)c1ccc(Cl)cc1Cl	16400262	RAWXSUYBNOVUJV-NDENLUEZSA-N	492.449	6.747	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S	35040026	RWKRSIBWKWKZFH-BKUYFWCQSA-N	450.541	6.131	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	41108502	FZOWFQHSTDJXEN-DDSBZIKFSA-N	473.577	5.884	10	40	JKCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c23)cc1	101218433	NIRVXWSUHCFHDV-HMILPKGGSA-N	462.590	6.108	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12	112294951	RAAFIYOVSNOLIW-ULJHMMPZSA-N	457.603	5.695	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)cc21	208461723	OKRBASPNLBVACX-CFRMEGHHSA-N	489.641	5.919	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222968136	IBKQLBITKLMILS-SXOMAYOGSA-N	475.706	6.108	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cc(Cl)ccc1O	223850449	KGTALTFLXZNUKH-JWQCQUIFSA-N	491.016	5.731	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1C	224268971	OAWZFGORRSCKRA-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224373783	JWDWXHVWWAMSQP-SXOMAYOGSA-N	481.669	6.493	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224463084	UWDWUXZMUNMUDD-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)n1-c1ccccc1	224885549	GTFQCAVSWSFXFX-DNQXCXABSA-N	460.990	5.717	10	40	JKCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1	408536083	XZUSEVOZZFMABW-ZHZULCJRSA-N	498.670	5.542	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2)cc1C	408806291	MNRXVIPFOUELFH-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C	408870274	VSDNJSBAZGISGR-XKZIYDEJSA-N	481.415	6.402	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)cc1	408984694	SOQHXNOWTDWGGK-NDENLUEZSA-N	482.367	5.630	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)o2)c(C)c1	409108446	VXQNJKOHVPGIDC-LFIBNONCSA-N	499.306	5.015	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	409160912	XWWJYYYLFBIJJM-PPJWLVRDSA-N	462.456	7.876	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)SC2=S)c1	409328325	SGDGGGQBADPUIW-LPYMAVHISA-N	484.067	7.047	10	40	JKCB	
CN(Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12	524731803	KSSCVVJCDPHHKV-YADARESESA-N	467.009	5.515	10	40	JKCB	biogenic
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(F)cc1)N1CCN(C)CC1)c(O)c1ccccc12	1095660	MVYHLHIYRBYFKC-VWLOTQADSA-N	476.548	5.253	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	1100980	NIOKYXHEYWAKCP-SLSDLSHTSA-N	478.545	5.240	10	40	JKCB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1ccc(/N=N/c2ccccc2)cc1	6446004	YUILMTFSOUOTAF-OCOZRVBESA-N	450.398	6.047	10	40	JKCB	
O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C(=O)N1	6474200	GUDUTAGZGOOLHC-UHFFFAOYSA-N	467.912	5.214	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1	8819781	HXMTYBFEPMEQQU-ULJHMMPZSA-N	474.651	6.549	10	40	JKCB	
COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)ccc1OCc1cccc2ccccc12	8861590	KCFRBMXATDSZJT-UHFFFAOYSA-N	466.489	5.610	10	40	JKCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(C(C)(C)C)c1O	9188733	REEKBMFCYVPORK-RGEXLXHISA-N	468.644	5.533	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3c(C)n(Cc4cccc5ccccc45)c4ccc(C)cc34)C(=O)N=C2S1	9907695	GSPWOSUUYFYVCH-UEMQBUKZSA-N	491.620	6.489	10	40	JKCB	
CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)cc(Br)c2O)N3)C1	10059392	GXDKHBRWZOGIQI-XLFHBGCDSA-N	469.832	6.450	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c(C)n1-c1ccc(Cl)cc1	12546710	RNDGDMRXIYMSPN-GOSISDBHSA-N	477.033	6.569	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCCCOc1ccc(C(C)(C)C)cc1	33430409	LSBNDPQKFZKCBK-PGMHBOJBSA-N	471.644	5.672	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cccc(F)c1	33728563	MDLFGIZMQMLATH-IBGZPJMESA-N	460.346	6.959	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4)cc3[C@H]3C=CC[C@H]32)cc1OC	58845984	UNYUIFOFNWYPEQ-OREGWCPLSA-N	476.598	5.640	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCCOc3ccccc3)SC2=S)cc1	83302475	LYNKARIIBTUPOT-HKOYGPOVSA-N	477.607	5.949	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	208254477	JOZRXBKELMJQGU-YYLUKMIBSA-N	485.993	6.207	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	223255032	CTSKIAPQVNVTTD-GOTSBHOMSA-N	487.595	5.042	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N(C)C)cc1	223348732	MENYJAUYBDVWCY-IZZNHLLZSA-N	471.630	5.321	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223425885	ZFPZOWAEKKYXLD-FQLXRVMXSA-N	496.680	6.287	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224206450	LDDHVNGZQIUSHM-WUFINQPMSA-N	466.654	6.592	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224237661	MPTWIVACPZDASI-VSGBNLITSA-N	481.669	6.041	10	40	JKCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)C3CCN(Cc4ccc(Cl)cc4F)CC3)cc2)C1	225587510	DEUGYUJUCSNLIG-LJQANCHMSA-N	458.021	5.244	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)c1	260569488	QKWQESBACRFVKV-IXOWOOARSA-N	459.590	5.470	10	40	JKCB	
CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O	408538779	QSBMDUYTLIBCLR-QNGOZBTKSA-N	499.405	5.691	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1	408647002	QYFTUXXLMBNBIK-UHFFFAOYSA-N	461.743	5.306	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12	408739904	BQSJYMOICHGFJM-HMAPJEAMSA-N	487.378	5.587	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408759074	XISACLDUWURBFG-XMHGGMMESA-N	493.813	7.152	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(C)cc1	408803675	RYECGVYONMMAMO-HZHRSRAPSA-N	484.552	5.256	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)c1	408881571	NDEUQXWNRGRGKA-UDWIEESQSA-N	479.363	5.867	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C	408964282	CSAAXGSBLXTYJG-UCQKPKSFSA-N	477.561	5.471	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)c1C	408966960	OGYKXCZBFSUHBW-QRVIBDJDSA-N	494.016	5.985	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)SC1=S	409005975	HSPJDBJJJKTQST-MFOYZWKCSA-N	458.819	6.447	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C2=O)cc1	409101103	VGIPPEQSEODSCZ-IWIPYMOSSA-N	489.597	5.476	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1C	409136361	UBULBFQIJRLCGT-LDADJPATSA-N	468.987	5.532	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	409152824	BUGMZTMHVXEDLH-UNVFRBQDSA-N	452.450	8.421	10	40	JKCB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O	409211669	MNJXVJGFMXAHSJ-VAODSVERSA-N	480.508	5.491	10	40	JKCB	
CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O	409244894	KDVJSHRRVRLEAR-BUVRLJJBSA-N	463.965	5.629	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C(=O)NC1=S	409246528	CIUMSCJLCPHKFT-CJLVFECKSA-N	458.608	5.540	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3)SC2=S)c1	409326870	FQEUDOOITLHFJA-JCMHNJIXSA-N	460.580	5.418	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1Cl	409328666	ZQNFLUXRPHISRE-YBFXNURJSA-N	472.931	5.923	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)SC2=S)c1	409328986	BOVHWAGOMUYSJI-LZYBPNLTSA-N	496.429	5.040	10	40	JKCB	
CCOC(=O)c1c(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)sc(C)c1C	6195073	WJBWJKQPTIIYFC-UHFFFAOYSA-N	495.626	5.777	10	40	JKCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)cc2)c1	8495614	XTEKMYIWOYUQIF-YIUBPJELSA-N	472.570	5.414	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	8872520	OBNQIYZRRXYRQV-XKZIYDEJSA-N	450.922	5.213	10	40	JKCB	
COc1ccccc1[C@@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCO[C@H](C(C)C)C1	9076616	YHCSBWVYRBEFRR-NSOVKSMOSA-N	452.639	5.273	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1C	9293556	ISTVTEVHFUBGES-WNGCWRAYSA-N	467.598	5.687	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccccc1Cl	12032414	MRIYLRUTQCTIBO-SFQUDFHCSA-N	495.851	5.723	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C2=O)cc1	20238502	IFNQFCZVOUZOSF-QNGOZBTKSA-N	470.506	6.099	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(C)cc23)cc1	20288799	IWFVFBGNUUZDSN-OOAXWGSJSA-N	464.569	5.342	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc3C2)cc1	22419120	RVUFBEXOABUQMV-RUZDIDTESA-N	483.443	5.981	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	33739490	VJLUDGRGBJCOFD-NKFJNAIASA-N	451.571	5.823	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C	33934834	BOPDJASUXIAQSQ-XCHKLHEQSA-N	465.888	5.237	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCc3ccccc3C2)cc1	36369763	ANCHELUGTGNZIK-NDEPHWFRSA-N	455.646	5.580	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)N=C2S1	41083680	PRFWCIHZPSBKNF-WHJFZTRWSA-N	472.339	5.334	10	40	JKCB	
CC(C)n1[nH]c(=O)c2c(-c3coc4ccc(Cl)cc4c3=O)c3oc4c(O)c(O)ccc4c3nc21	85877625	QVYHOFOSZABJST-UHFFFAOYSA-N	477.860	5.043	10	40	JKCB	biogenic
C/C(NCc1ccccc1Cl)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	101623865	DVNBLIFSCPGPIS-JWGURIENSA-N	458.974	5.764	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223795664	ZSTZUFYAGDFBDO-VSGBNLITSA-N	482.653	6.373	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1nc(-c2ccccc2)cs1	408536055	VMFCVBBMYYCRLG-BOPFTXTBSA-N	453.365	5.600	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4ccccc4)c3)SC2=S)cc1	408571352	BFTNOXLDGHLTJM-KQWNVCNZSA-N	490.606	5.509	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1	408578543	YNJIZSBXBCMNKJ-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	408800291	LOQKOKYVLLCQAN-XDHOZWIPSA-N	467.308	5.239	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	408804921	CJFDWJHTFMIURF-PCLIKHOPSA-N	478.504	5.099	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3cccc(Br)c3)C2=O)c1	408844895	PRESIKIKCQKTBV-KGENOOAVSA-N	463.331	5.301	10	40	JKCB	
COc1cc([C@@H]2Nc3c(C)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408875228	HRZQEHBFWRRZJZ-YBXDKENTSA-N	476.414	7.172	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1	408876085	JHCWSDWLSYIYIX-BOPFTXTBSA-N	485.298	5.378	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1	408891110	LPUUTOVRGJMZMN-KGENOOAVSA-N	478.907	5.287	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2sc3ccccc3c2Cl)N(c2ccc(Cl)cc2)C1=O	408996752	MZBJTUOAFZNHPI-XMHGGMMESA-N	479.388	7.051	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(SCC(C)C)c2ccccc12	409033013	KQSHFYKEINZBQA-LICLKQGHSA-N	490.497	7.090	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	409147461	XZSYCVSQUHZVNX-VWLOTQADSA-N	495.641	5.818	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)SC(=S)N1C1CCCCC1	409200818	JUCPZVCZQSWVKM-WPWMEQJKSA-N	482.674	7.377	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC(=S)N1C1CCCCC1	409330262	KICZDGBGDMCPMT-STZFKDTASA-N	488.472	6.562	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2cccc(C(F)(F)F)c2)SC1=S	409372993	ROAWYYNXBVWAOJ-VGOFMYFVSA-N	492.331	5.950	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(I)cc2)SC1=S	409375016	DFAQKFQGOQQSTD-BOPFTXTBSA-N	481.380	5.091	10	40	JKCB	
Cc1ccc(Nc2cc(N(C)[C@H](C)[C@H](O)c3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2139676	LYVPVJUAXBUHNB-XBBWARJSSA-N	489.575	6.650	10	40	JKCB	biogenic
O=C(CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1cc(Cl)ccc1O	2454625	MLINSZHZLQGTFH-SXGWCWSVSA-N	497.823	5.038	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	8396157	ODGODAFNWMWRDM-ZVHZXABRSA-N	481.017	6.771	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1Cc1ccccc1	8872112	GGGKKVKAPHNYAX-HMAPJEAMSA-N	452.000	6.320	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1	8984685	GMGRLVXSYLQEHU-QFOSJIQNSA-N	476.602	5.571	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	9293403	SDSPRQDRXIRBBM-UFTGVOQFSA-N	488.016	5.977	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCc1cccc(F)c1	9310606	OBXBRWHOOWSKJK-CXUHLZMHSA-N	468.369	5.007	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(F)cc1	9424573	QRDNCYKXXSPFRR-UCQKPKSFSA-N	461.562	5.188	10	40	JKCB	
CCOC(=O)c1sc2nc(C)nc(SCC(=O)c3cc(C)n(-c4ccccc4F)c3C)c2c1C	14358843	CIJKCTWMINFUAR-UHFFFAOYSA-N	497.617	6.006	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	40567440	VUFFAYZFIFCMNN-CIKBWMHTSA-N	488.439	5.661	10	40	JKCB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1	58846308	RRUQVSNMBIIKRF-JWZKTCGFSA-N	458.627	6.548	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc2ccccc12	224162572	WZIUZNBXOGXJKC-FQLXRVMXSA-N	474.633	6.819	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224904411	KJIQFRIGZYYUPM-LMSSTIIKSA-N	498.671	6.985	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1	408600904	GWBMRWCCXNRFPI-UCQKPKSFSA-N	499.032	6.530	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)O)nnc1-c1ccc(Cl)cc1	408634868	XJYZCAWKGFMVBN-RCCKNPSSSA-N	469.010	5.745	10	40	JKCB	
CCCN(Cc1ccccc1)C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735184	LGPXJPXAUDOWNO-UHFFFAOYSA-N	487.628	7.665	10	40	JKCB	
FC(F)(F)c1cccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)c1	408735890	XZQHQGUQZFLLSS-UHFFFAOYSA-N	498.533	7.917	10	40	JKCB	
CCOc1cccc(N2C(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)c1	408998718	QDPYXGPAHWOSSH-MFKUBSTISA-N	495.604	5.228	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409061204	BWVNETJEEBSYCG-JTOYMXJDSA-N	454.570	5.836	10	40	JKCB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409342673	FBGPRSDDRJCOIJ-PXNMLYILSA-N	498.807	5.060	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)SC1=S	409351082	ZGABNGQENSOAEQ-ODLFYWEKSA-N	489.531	5.305	10	40	JKCB	
CN(C)c1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)c2ccc(F)cc2)[C@@H]3c2ccc(N(C)C)cc2)cc1	8444262	FGZWOUFZGLBAQV-RSIJKLHNSA-N	496.630	6.395	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2cccc(Cl)c2Cl)C1=O	8819305	VNIHVMWPSUKGRS-WJDWOHSUSA-N	467.399	5.232	10	40	JKCB	
CSc1nnc(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)s1	9283757	ULUMGOWJDPJQLG-UHFFFAOYSA-N	454.440	5.405	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1	9296463	SBJQQKZBFUJBSR-KGENOOAVSA-N	476.535	5.215	10	40	JKCB	
Cc1ccc(C)n1-c1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1	12549264	QYKMCVIQJDTTMP-UHFFFAOYSA-N	451.595	6.593	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C1CCCCC1	13546383	QQEIQJQVZRSCJE-MOSHPQCFSA-N	470.367	5.039	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1cc(C)ccc1C(C)C	13897064	JEPSODIXUYQCTO-HMAPJEAMSA-N	457.617	5.416	10	40	JKCB	
CCN(Cc1ccccc1)c1ccc(/N=N/c2cc(Cl)c(S(=O)(=O)O)cc2Cl)cc1	25693528	RBSXUHSLINSOEF-OCOZRVBESA-N	464.374	6.682	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c1	28580694	NDDAMQDYCYAPMY-RRAHZORUSA-N	476.580	6.524	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@@H]32)c1OC	36056885	CEJPURLKVRROJN-BCQCSXDESA-N	490.625	5.948	10	40	JKCB	
Cc1cccc(Cn2c(C)c(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)c1	41076292	LRGLKVBRFLNKLS-UATAVTPQSA-N	481.503	5.488	10	40	JKCB	
CC(C)c1nn2c(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)c(-c3ccccc3)nc2s1	41076661	ADOMSLWZSWAAKD-WSFLPQJTSA-N	496.621	5.885	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c(C)c1	41108335	MPWWVWCWIXGFQZ-BOJMXSMESA-N	497.624	5.718	10	40	JKCB	
O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1c(F)cccc1Cl	59639335	NSVKPHWOQWYHSY-BOPFTXTBSA-N	457.288	5.173	10	40	JKCB	
CSC(=S)n1nc(-c2ccccc2)c(/N=N\c2cccc(Cl)c2Cl)c1-c1ccccc1	104225400	DRAAZJPUFPEMBL-RQZHXJHFSA-N	483.449	8.435	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	106695829	INVUUYONRNSFKR-NHDPSOOVSA-N	474.479	6.489	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927271	PRKHVPZPLZZVBV-DNQXCXABSA-N	479.606	5.034	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1O	223385879	IWUHJBXDRHSCIB-IZZNHLLZSA-N	454.599	5.367	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1Cl	223496611	JKRXREILVSFECR-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223541826	KCALLZAGNHDYRY-IZZNHLLZSA-N	488.060	6.019	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1C	224270071	DASFTKJUUOXSDO-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224604906	NYFALYTYEHQHFO-CLJLJLNGSA-N	470.598	5.380	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccccc3)C2=O)c(OC)c1	408761528	FPWZVHZHEDPRLN-XSFVSMFZSA-N	474.969	6.406	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Br)c(Cl)c1	408881568	NCGSCVBMPZZBSW-XDHOZWIPSA-N	495.760	5.360	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C2=O)cc1	408936527	KUODKVIOLCSCTA-ONUIUJJFSA-N	478.504	5.094	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(OC)c1	409015623	CSBLUUVDOYXSBM-ULJHMMPZSA-N	469.537	5.542	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1	409065980	JOOSNVQWKGTTMZ-MOSHPQCFSA-N	463.990	5.196	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)SC(=S)N1Cc1cccnc1	409140509	IKCGMPRRBDTLDU-OAQYLSRUSA-N	489.449	5.939	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OCC	409327022	GPDYDRDOSBHSMI-CPNJWEJPSA-N	492.460	6.038	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	409328299	RQLOVOSLLSUOBU-YBFXNURJSA-N	468.427	6.587	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1I	409339100	RWKXWRRFKFUCGF-OQLLNIDSSA-N	487.771	5.359	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	409356695	HDNRVPJXVYITAC-ZDLGFXPLSA-N	469.858	5.237	10	40	JKCB	
C=CC(=O)OCCCCCCOc1ccc(/N=N\c2ccc(OCCCCCC)cc2)cc1	2362803889	YZOBFCBAODPXQB-ZIADKAODSA-N	452.595	7.730	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3cccc(C)c3)N=C2C)ccc1OCC(=O)Nc1ccc(C)cc1	671126	FNZIFEKYERMWEO-IWIPYMOSSA-N	469.541	5.136	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2C(=O)c2ccccc2)cc1OC	1277295	ARRNHHOMKWLWJX-DEOSSOPVSA-N	452.510	5.554	10	40	JKCB	
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3C(F)(F)F)=C(C)N(C)C(=S)N2C)cc1	3280999	CKFPVLHZQOMTRQ-QFIPXVFZSA-N	490.595	5.668	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)c1	4149930	HRSRIHYHMPVJRL-SGIRGMQISA-N	460.555	5.321	10	40	JKCB	
Cc1ccnc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c2C)c1	8400796	IUPNDVJBTVHTLX-FYJGNVAPSA-N	474.586	5.089	10	40	JKCB	
CC[C@@H]1CCCCN1C(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	8819871	SAXMFFJPZXZOJZ-JUJXNAJKSA-N	460.665	5.248	10	40	JKCB	
Cn1cc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c2ccccc21	8821717	OMFXNHAIGAYLSH-PGMHBOJBSA-N	458.649	5.975	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)c(OC)c1	8821730	JYTJIGHIYWEQCV-OYKKKHCWSA-N	460.555	5.674	10	40	JKCB	
COC(=O)[C@H]1[C@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	8917799	HUUXVQGWQGTKNB-KWXIBIRDSA-N	477.560	5.416	10	40	JKCB	biogenic
CC(=O)Oc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br	12363400	OJCQYAQLFRBPQB-VIZOYTHASA-N	478.136	5.427	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1	12574373	VRRBGVRHQVKREE-MTDXEUNCSA-N	476.580	6.380	10	40	JKCB	
Cc1nn(-c2ccccc2)c(O)c1/N=N\c1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12	16249379	MIYOTRBHEIESLQ-HYOGKJQXSA-N	472.512	6.302	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3o2)cc1	16678593	HCSCNRFBGHMKHU-UHFFFAOYSA-N	460.490	5.510	10	40	JKCB	
Cc1ccc(C)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)c1	58847887	IXLVJLHQSRYHRV-ISCCLHIJSA-N	479.045	6.893	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21	208454161	UANSZSOUZBXZQB-VCHYOVAHSA-N	484.383	5.600	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223443969	NARZKWJTVLUJFF-SVBPBHIXSA-N	484.625	5.371	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCC(=O)OC)c1C	223728748	SUTYHPBSMPQUKG-AHKZPQOWSA-N	490.673	5.286	10	40	JKCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(COc4ccc(C(C)(C)C)cc4)c3)CC2)cc1	224185655	LFWDAXKDJLIMGQ-UHFFFAOYSA-N	488.628	5.543	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	224571522	WZCSIWMMHIEIME-KAYWLYCHSA-N	498.608	5.404	10	40	JKCB	
COc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2c1	224741406	SFZHECXTVOVTJG-UHFFFAOYSA-N	451.931	5.534	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc2ccccc12	225013336	DBKKZSCYWXEKTF-WUFINQPMSA-N	466.654	6.557	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1C	408850198	HYSZTCZTOUKZFV-XDHOZWIPSA-N	452.919	5.367	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cc(C)cc(C)c1	408880173	GIMBWZLBUPGIJN-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Br)cc1	409002008	RVHCREDDXFPHJB-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)C(=O)N(c2ccccc2)C1=S	409022005	HPZWMEURKDWGSX-XIEYBQDHSA-N	471.626	5.610	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	409059351	WOZXODHKJQBYDX-OYKKKHCWSA-N	474.988	5.929	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409061614	YKIMGMNRZZBEST-CFRMEGHHSA-N	490.987	5.942	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)c1	409329284	DFJLLNWELODSPP-PDGQHHTCSA-N	476.069	7.212	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409349931	WPMYVJKCNFKODH-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
O=C1/C(=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)cc1Cl	409350047	WYKFGUBWQKVFPZ-VCHYOVAHSA-N	496.397	5.144	10	40	JKCB	
O=C1/C(=C/c2coc3ccccc3c2=O)SC(=S)N1c1ccc(Br)c(Cl)c1	409382769	ORSBMOMLHMETND-APSNUPSMSA-N	478.776	5.615	10	40	JKCB	
CC[C@@H](C)[C@@H](NCc1c(O)ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc12)C(=O)O	2090421	BUOQBVVJGXVRDI-NSPYISDASA-N	466.317	5.187	10	40	JKCB	biogenic
Cc1ccccc1Nc1cc(N2CCN(c3ccccc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3	2293326	NKEATENVVRVGIK-UHFFFAOYSA-N	486.575	6.418	10	40	JKCB	
CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(OC(=O)c5cccs5)cc42)C(C)=CC3(C)C)SC1=S	2349446	UXDLMZNGVXTRAP-ZPHPHTNESA-N	496.635	5.101	10	40	JKCB	
CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2361872	WBYHHIXWVPLYJG-IPZQJPLYSA-N	479.605	6.596	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	8919115	ZUIQVQWIEXQRDW-HEDCCBFCSA-N	474.464	5.017	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)c(Br)c1	9311234	BEPFMCFKBUIGTM-XMHGGMMESA-N	495.214	6.991	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	13880309	VDCKISQVGUMSML-CIAFOILYSA-N	472.994	6.014	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1	16914335	VCEWZWGWHQAFCL-SANMLTNESA-N	496.577	5.065	10	40	JKCB	
Cc1cc(/N=N/c2ccc(-c3ccc(/N=N/c4cc(C)c(N)cc4N)cc3)cc2)c(N)cc1N	18178398	JCGDZDVFMMHRGQ-FMWAKIAMSA-N	450.550	7.130	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)cc3)SC2=S)cc1	35040068	VETJQRDAFOMDRC-KOEQRZSOSA-N	497.645	6.516	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)c(Br)c1	59417897	JCLKSJBNPWQXHS-YBFXNURJSA-N	474.376	6.562	10	40	JKCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\c1c(O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O	100947818	ULCQYNQPTOKSMJ-JWGURIENSA-N	498.539	5.008	10	40	JKCB	
Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	103014805	WYTDIKVGLCLJPS-ZQHSETAFSA-N	476.602	5.758	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223099022	MBVJZJVNVVUMIM-UIOOFZCWSA-N	460.647	5.803	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	224154277	ZHXINBZRMSLSRV-RPBOFIJWSA-N	492.570	6.685	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)nc1	224609975	UVWOUAZIDPRTFL-JWQCQUIFSA-N	455.587	5.075	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1C	260569791	SHFAGDPXHSPYPH-MNOULKQQSA-N	461.631	5.165	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)c2C)cc1	408818490	VPRUWQATASJQCL-UHFFFAOYSA-N	452.987	5.828	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cc2ccccc2Cl)ccc2ccccc12	408865761	FGTHACJOJNHOCD-ULJHMMPZSA-N	482.992	5.915	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1C	408897091	VMXJLCXMYXQABK-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
CCN1C(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N(c2ccc(Cl)cc2)C1=S	409009567	GFZANOWTXKGWFX-RQZCQDPDSA-N	488.794	5.147	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(Cl)c1OCc1ccccc1F	409043314	YVUCLRYDNRXFPS-JAIQZWGSSA-N	480.026	6.314	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)SC1=S)c1ccccc1	409176486	OVXJYKUAQONCBX-UCQKPKSFSA-N	487.581	5.375	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)C1=O	409243261	RIEOVOACQFLDHL-HAVVHWLPSA-N	485.584	5.457	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O	409348549	ONFWWIYYJMTCHM-LZYBPNLTSA-N	470.797	5.613	10	40	JKCB	
CC(C)C[C@@H](C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)N1C(=O)c2ccccc2C1=O	1782186	HBDBGQMJGQFEMC-LSYYVWMOSA-N	492.575	5.462	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)ccc1Cl	1791597	NJTXOXTYANDOSB-UHFFFAOYSA-N	481.898	6.503	10	40	JKCB	
COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	3764393	WTMSIOPCQISMBA-VXLYETTFSA-N	480.369	6.807	10	40	JKCB	
CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\SC(=S)N(c2ccccc2)C1=O	4048100	BMWSKSUJGACJRC-MYTRHGCZSA-N	454.642	6.198	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1	8407953	RZHMRTVYCTZPJQ-BSMJIXEWSA-N	485.613	5.756	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	8450586	LGRHKBXXNMFUFW-QGNOBFDASA-N	471.586	5.448	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Sc2nc([C@@H]3CCCO3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	8728282	UEFMCJJHERYJSD-KSSFIOAISA-N	462.522	5.029	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(SCc5ccccc5)SC4=NC3=O)c2C)c1	9158453	PXQJTGUUKMYALT-QRPNVLAJSA-N	499.665	6.221	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cccn2CCOc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1	9167988	HLNILMYJVNOYMP-XSFVSMFZSA-N	487.409	5.232	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1	9296571	QCSPHEBMGCMHEW-HMAPJEAMSA-N	467.999	6.333	10	40	JKCB	
O=C(c1ccco1)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccccc1O	13128649	YCMICJQFOCHWMY-VWLOTQADSA-N	474.520	5.829	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1C	13895046	NJMDBLMSTNWQDA-ZKNSXIRRSA-N	476.602	5.427	10	40	JKCB	
COc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	13942136	CMVKVEQJWGOBQD-KQWNVCNZSA-N	463.580	5.559	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccccc4Cl)c(C(F)(F)F)oc23)C1	19793088	YBBDCPBIUZPMRL-ZDUSSCGKSA-N	467.871	6.195	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccccc1	33348748	LSAHUJDMLFISJO-UCQKPKSFSA-N	461.011	6.749	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2)c1	33736284	QBVHFTFQHHJOFH-HMAPJEAMSA-N	477.973	5.748	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F	59418059	UAJXYGZMMJPBAI-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	103918940	JAQWQRWKZLGSIQ-BWAHOGKJSA-N	484.650	7.336	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)C2=O)c1	223488134	GJDOYKFDUAAONZ-OEAKJJBVSA-N	473.573	5.162	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	223559467	YIJUSQDIQCRPHT-FSTGKYBXSA-N	459.590	5.416	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223798914	ZQYKYFKBGDVFCF-KAYWLYCHSA-N	484.625	5.771	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223972394	ZQGBIANEVRXOJC-IZLXSDGUSA-N	495.652	5.933	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224169947	FMDCELYAAYCLAU-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c([N+](=O)[O-])c1	224171588	SVXNTKCGTFISCE-IZZNHLLZSA-N	499.596	5.583	10	40	JKCB	
Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)on1	257344965	ZZKBIXBGYJFWSW-UHFFFAOYSA-N	459.638	5.717	10	40	JKCB	
C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=O)Nc1ccc3nc4c5ccccc5c5ccccc5c4nc3c1)C2	408736001	ZMZJWPDVLSGCCT-ZJOUEHCJSA-N	474.608	7.378	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)c1C	408783105	KARCCDFIWROXII-LFVJCYFKSA-N	469.585	5.675	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1C	408813033	CXRAEVUDSJRVGS-RGVLZGJSSA-N	465.912	5.170	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O	408818387	VJOKZEGUADNMGV-DEDYPNTBSA-N	481.335	5.547	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409210543	JJQXAULOOXKFFZ-VCHYOVAHSA-N	480.483	5.096	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409329099	CRQVEDRHUSLEMI-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O	409344687	GKEBDXMQNYJPLA-MOSHPQCFSA-N	470.413	6.407	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCCCCC(=O)N1CCCc2ccccc21	1868555	KHAYTOSTTKHNQF-XLNRJJMWSA-N	485.074	6.081	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)c(Cl)c4)c3C)C(=O)N=C2S1	5946140	BQSMYNRFXVXDRV-OEEDQDNFSA-N	484.025	5.956	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@H](CC(C)C)C(=O)O)C3=O)cc2)cc1	8821353	LHBVFOZEBPJWLV-TUNPGAEXSA-N	455.601	5.275	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(NC(=O)Cc4ccccc4)C3=O)cc2)cc1	8821356	FVKLTWMIPPKDCM-HAHDFKILSA-N	474.607	5.049	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	9309645	JBEJJSSPCFUILT-WOIBEVDJSA-N	473.646	6.382	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1	9763721	CPBFYPBQPSTYSI-UMFSSWHCSA-N	490.581	5.109	10	40	JKCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)cc2)cc1	12628739	AEGAXVJOHKTFON-RQFVJUFOSA-N	486.578	5.138	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc([C@H](C)CC)cc4)C3=O)o2)cc1	13687851	UYAYEWVCXVVTNE-CXJVOSNZSA-N	486.524	5.303	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc3o2)cc1	16678555	RDFOWAINPMYIAL-UHFFFAOYSA-N	471.601	6.790	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=S)N=C3O)o2)c(Br)c1	17122698	ZQMBRMNKUNGDMX-ATVHPVEESA-N	467.344	5.689	10	40	JKCB	
Oc1ccc(Br)cc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21	17265211	MENHLZFUQHUXJM-UGKGYDQZSA-N	455.739	6.050	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Br)cc2)cc1	20289000	GTXAEUFVHJUOFJ-JCMHNJIXSA-N	480.337	5.734	10	40	JKCB	
CC(C)CC1=NN2C(=N)/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C(=O)N=C2S1	41082984	MPBBFONHLCYOPC-FISJVANTSA-N	468.582	6.084	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58848171	QLNWVNYCKLZYDR-BPYKYCOYSA-N	495.988	6.184	10	40	JKCB	
O=C(O)c1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C(O)=NC2=S)cc1	95544352	SHXMRBWVTZTQFL-FYJGNVAPSA-N	499.523	5.199	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1	103917600	IMBJKOCSEAPAOU-ITYLOYPMSA-N	497.624	6.937	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)SC1=S	108970229	ZXMQHKWOMDIFCU-ODLFYWEKSA-N	455.992	5.155	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208305436	DVCNGLPETZLCKM-NLKUQUHMSA-N	477.630	5.782	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501120	HBSOAOUDYPCPJF-RRPNLBNLSA-N	467.642	5.674	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224202852	HGHDVHIXATVAJJ-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	224334962	HVJQRZVKENYRKF-WDYNHAJCSA-N	480.681	6.791	10	40	JKCB	
CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl	225670623	OUXOIUCRJXTYPK-SJORKVTESA-N	460.043	5.801	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	408765782	ZTSLANHFWSBYHB-KGENOOAVSA-N	451.309	5.615	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1	408783630	NYMIMDIILWWGGK-HZHRSRAPSA-N	467.500	5.112	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)cc1OCC	408786827	OIEGUVSSGYTOPH-XNTDXEJSSA-N	496.869	5.213	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@H]4C)C3=O)c2C)cc1	408809198	KQSBFCYWKWKDPV-POZLFYOWSA-N	484.689	7.457	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)c1C	408883998	SLLOPPVZXUECPV-KGENOOAVSA-N	462.908	5.353	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408892121	BFDSHSSTNXUPML-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)cc1	408969314	LLPPQFUHBBICPQ-RGEXLXHISA-N	454.404	5.472	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409039709	XGWQSPPADHHTOS-YRNVUSSQSA-N	487.211	6.755	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccccc3F)c12	409125551	AWHAXFJYJCTVCA-IWIPYMOSSA-N	472.610	6.797	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1	409141482	JZZSHAJQKHSJNG-VCRXTVNUSA-N	461.008	5.372	10	40	JKCB	
CCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc21	409184870	YOWATRNJGMEVMJ-ODLFYWEKSA-N	455.992	5.169	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)cc1Cl	409228760	DQVUDENGVSHEGZ-UDWIEESQSA-N	463.990	5.196	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)C)c(Br)c3)C(=O)NC2=S)cc1Cl	409247654	FGHJICOSUPCCKF-OVCLIPMQSA-N	493.810	5.029	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O	409339485	IWXRUOMAFXRTAZ-ZMFRSBBQSA-N	489.706	7.186	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409348190	RPURFKLPZHKQAU-MTJSOVHGSA-N	493.522	5.488	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)NC1=S	3662867	BTYMFWLBEWSWSL-YVLHZVERSA-N	495.826	5.158	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)cc1	8819763	WLHRNEGODIOYJK-RGEXLXHISA-N	493.481	6.702	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc2)cc1	8984726	DMROIIMGDMCNPV-OSWZSTQVSA-N	498.579	5.633	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S	9232461	VIXBXNUKXAYIDU-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCc3ccccc3C2)cc1	16914319	DPIKTWLSFCQEBK-RUZDIDTESA-N	478.434	5.045	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)c(CN2CCCC[C@H]2C)c(O)c2c(=O)cc(-c3ccccc3)oc12	20113141	QGPIZOQEGOUCIZ-UXHICEINSA-N	476.617	5.620	10	40	JKCB	biogenic
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1C	26608554	GRFZMJZJZWEWPH-WQRHYEAKSA-N	478.433	5.566	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc5ccccc45)C(=S)N=C3O)c2C)cc1	33915969	GCCZAKFCMPMLNS-LFVJCYFKSA-N	465.578	6.227	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N(c3ccccc3)C2=O)cc1	59139075	ZMEWRYWVLPOTCF-JJIBRWJFSA-N	482.923	6.492	10	40	JKCB	
CCOc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1	65298008	QUFDXXSDSJYAMJ-HHHXNRCGSA-N	490.047	5.960	10	40	JKCB	biogenic
O=C1C[C@H](c2ccccc2Br)c2c(c(O)c(O)c3c(=O)cc(-c4ccccc4)oc23)O1	96115848	IPCNHNKEHXRZQS-CQSZACIVSA-N	479.282	5.075	10	40	JKCB	biogenic
COc1ccc(-c2nnc(N/C=C3\C(=O)N(c4c(Cl)cc(Cl)cc4Cl)N=C3C)s2)cc1	103785122	BPSOBEVGTSCXID-ZROIWOOFSA-N	494.791	5.892	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C2=O)c1	208255587	VMQSPOIGHVYVBF-VBHHZLGVSA-N	498.048	6.045	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351108	DUNJZTHMJVAEKL-RPBOFIJWSA-N	477.033	6.217	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223386637	VTAWPDZSNPUNNF-SXOMAYOGSA-N	468.626	5.670	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1F	224399110	SCPIZZVCBOBMGL-RPBOFIJWSA-N	460.553	5.944	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(F)c1	224464057	NILGWNJGBORCTO-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224534444	WHTVRHRBFXQCNS-WUFINQPMSA-N	497.668	5.741	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1	225504599	WUEUHPFVRMTZTD-KAYWLYCHSA-N	499.615	5.239	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)O)n[nH]1	408633496	ZDTSOUPYEIQYDG-UUYOSTAYSA-N	495.004	6.067	10	40	JKCB	
Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1	408642575	OZQYIKNKGNIYSG-JOCHJYFZSA-N	450.538	6.241	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2sc3ccccc3c2Cl)N1c1cccc(Br)c1	408764056	VUIMUVYCINRPJZ-CPNJWEJPSA-N	493.813	7.152	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cc(C)c(C)c([N+](=O)[O-])c2)cc1	408778318	DIJYVGPXJBQFDS-FYJGNVAPSA-N	455.470	5.900	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1Cl	408834971	XPAHTKSIEGTUAE-XDHOZWIPSA-N	497.334	5.247	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1	408866092	GHKFTYCVPGBXAA-BUVRLJJBSA-N	472.972	5.831	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409009293	CXCNAIJJSCPROQ-QQXSKIMKSA-N	484.596	5.592	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)cc1C	409095848	DNCCYEULFISFLF-XDHOZWIPSA-N	482.367	5.684	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)c1C	409126962	OTCIIJUOJKCJAM-KOEQRZSOSA-N	488.609	5.858	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)c2C)cc1	409186963	KFFBNUWBTOYZQG-UDWIEESQSA-N	498.366	5.466	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)SC2=S)cc1	409329674	HLNRXDBKWVGKRY-ODLFYWEKSA-N	465.508	5.057	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2ccc(Br)cc2)N[C@@H]1c1ccc(N(C)C)cc1	409333493	HQCJTVFHNKVDAH-OAQYLSRUSA-N	488.451	5.286	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)SC2=S)cc1Cl	409343330	GGZAWWADWJFSRP-VCHYOVAHSA-N	496.824	7.321	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC1=S	409346526	LGXMTGSTEKRPKE-JAIQZWGSSA-N	469.971	5.358	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1	409347567	MCVGVSIEAUCMOT-SXGWCWSVSA-N	484.824	5.521	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2Sc3ccccc3N12	2350455	NGZVFNSMCXKWOS-DIIXFEDBSA-N	487.580	6.039	10	40	JKCB	
COc1ccccc1[C@@]1(CCN(Cc2ccc(N(C)C)cc2)C(C)=O)CCO[C@@H](C(C)C)C1	9076617	YHCSBWVYRBEFRR-IZLXSDGUSA-N	452.639	5.273	10	40	JKCB	
CC(C)(C)C(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9232582	QUVRNKYCHZLDKN-UODIDJSMSA-N	479.551	5.874	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S	9263210	ULATWXLFKOVZCY-UNOMPAQXSA-N	467.953	5.026	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	9264507	NOFIKBMNXMPUOG-BHGWPJFGSA-N	490.625	5.683	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)c(OC)c1	9309686	CFEUKSSKKCOVON-OILBOLJZSA-N	499.596	5.087	10	40	JKCB	
CCOc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc2ccccc2c1	13371337	AGPOMZNWBUZOAC-YUMHPJSZSA-N	462.545	7.107	10	40	JKCB	
COc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)ccc1OCc1ccccc1	13547394	NZFXOKACSDEHMM-RRAHZORUSA-N	498.648	6.199	10	40	JKCB	
Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1	13689755	DQSAHNXZTNETMW-GRSHGNNSSA-N	499.061	5.126	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21	13799352	HYSIBZNCSPXTMQ-ZHIXYLIPSA-N	487.585	5.004	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)SC2=S)cc1	16292361	ORGHOFHNBJQWKN-UCQKPKSFSA-N	466.027	6.629	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2cccc3ccccc23)SC1=S	41108602	UOACOYLEORYRCK-BKUYFWCQSA-N	450.541	5.548	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(Cl)cccc2Cl)N3)c1	58846646	AKHMKBAOWLBXCX-UNVFRBQDSA-N	499.463	7.238	10	40	JKCB	
O=c1[nH]n(C2CCCCCCC2)c2nc3c(oc4cc(O)ccc43)c(-c3ccc(O)c(O)c3)c12	79190198	TWNOMKYWBKMXGS-UHFFFAOYSA-N	459.502	5.693	10	40	JKCB	biogenic
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1	100702613	HQKLNWNFPBAZAE-MVJHLKBCSA-N	497.599	5.759	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc(/N=N\c3c(O)c(C(=O)O)cc4ccccc34)cc2)n1	104123485	ORXXNQOAEAEAQN-QPLCGJKRSA-N	462.487	5.163	10	40	JKCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	113470198	HGQGECSLJDDONO-ITYLOYPMSA-N	484.600	7.300	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223347707	LMTQTNXEFLULTE-RPBOFIJWSA-N	458.587	5.263	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223494739	XDHRSVWTWGGOJW-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(OC)c(N4CCCCC4)cc3OC)N21	260786553	YFQWSTHRLJQINO-CQLNOVPUSA-N	452.624	5.069	10	40	JKCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408762649	FMAXHGFRFSMGJU-KGENOOAVSA-N	461.945	5.833	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccc(C)cc1	408857665	LPBPLYLYLIVTKM-RNHFSVANSA-N	494.404	7.311	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1Cc1cccc(F)c1	408870154	SAYPMMSUQWKCEF-HZHRSRAPSA-N	472.516	5.098	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	408871995	IWDYBDDBGMYLJL-UCQKPKSFSA-N	450.991	6.546	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1	409165467	YMLVYQSUVHXSGN-JAIQZWGSSA-N	498.354	5.952	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1Br	409330045	JEYDLEBUPXIRKU-CXUHLZMHSA-N	452.420	5.585	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OCc2ccccc2)c1	409331449	NCDLESJEMOFSMF-XYGWBWBKSA-N	492.641	6.657	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)SC2=S)c1	409344819	HJOWUUCWSAJOPL-HYARGMPZSA-N	451.638	6.755	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)cc1OCC	409347052	NKXBUCUVHJREGJ-HZHRSRAPSA-N	493.606	5.586	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1	2124245	BQFVBCWUPWUXJD-HZHRSRAPSA-N	493.581	5.845	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccc(Cl)cc1	2245767	SLZNMDVVQBJOFH-BKUYFWCQSA-N	482.970	6.233	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(C(F)(F)F)=NN1c1ccccc1	2995242	MVENOAXXEGYAQB-SFQUDFHCSA-N	461.237	6.058	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)c(C)n1-c1ccccc1	3286705	HDUBUPSYLBPIRD-UHFFFAOYSA-N	453.951	5.685	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)c2C)cc1	6089597	WLIQXSOLWPSWAY-HZHRSRAPSA-N	471.513	5.086	10	40	JKCB	
CCCCCCc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(CC)C2=O)cc1	8916111	RHEDAZJUZHVQSA-CLCOLTQESA-N	469.672	6.488	10	40	JKCB	
COc1ccc([C@@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1OC	9281218	PCGVSLLNAIECKZ-SYZXBLONSA-N	462.933	5.454	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9307368	WQUQMNZMOYLZFF-ZYAFDPRBSA-N	494.407	6.068	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)n1-c1ccc2c(c1)OCO2	12546940	HXIMLGNTSKLFBQ-UHFFFAOYSA-N	499.617	6.470	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16007290	YFAQUBVEBMOEIZ-HZFUHODCSA-N	496.006	6.486	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(CSc2ccccc2)=NN1c1ccccc1	31934198	OZPWIMKZFJHAFC-HAVVHWLPSA-N	481.533	6.433	10	40	JKCB	
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1Cc1ccccc1	33590384	OIFITTQMIHNNLK-PCLIKHOPSA-N	493.613	6.687	10	40	JKCB	
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cc(Cl)ccc3C)=C(C)Nc3ncnn32)cc1	35507658	BCUYHFIDVZYRBP-QFIPXVFZSA-N	450.974	5.014	10	40	JKCB	
CCOC(=O)[C@@H]1[C@@H](c2ccccc2OCC)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35848473	SUMXYCURLOGNBG-PFBJBMPXSA-N	493.559	5.082	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	41077618	DJCLYFSTYSBCEC-UNOMPAQXSA-N	464.008	5.254	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(OCC)cc4)C3=O)o2)cc1	59536581	MMWWSAFEJUSLLO-PXLXIMEGSA-N	479.579	5.928	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)c1	223350465	VITRUQCWTAASGZ-UIOOFZCWSA-N	456.615	5.872	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1	223878971	KHTGVLPUYLIHGO-RPBOFIJWSA-N	456.571	5.072	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1C	224208694	WFURNTKKCLIXQC-PXJZQJOASA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1	224365693	ITJMSSTWQXFILE-VSGBNLITSA-N	466.654	6.790	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)cc1	224402109	APDWWOICPLDONV-DQEYMECFSA-N	486.572	5.504	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccn1	224862568	JUUMPLLGOVMLAT-DNQXCXABSA-N	476.005	5.420	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408538325	KZWKFDVGRJYSIQ-MOSHPQCFSA-N	484.980	5.591	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Cl)cc1	408762982	CYGDAJBTDZWHFF-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)c(C)c1	408815711	UDKAZIJCCODVFE-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(Br)cc2)cc1	408844151	OQJCOSOLSAPCEJ-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(Br)cc2)cc1	408846073	XJNCCIQEIWMZJC-PXLXIMEGSA-N	491.341	5.381	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc2ccccc12	408878106	ZUINCENYNGHSEW-JLPGSUDCSA-N	498.991	5.904	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cccc(C(C)=O)c4)C3=O)o2)cc1	408987335	WNGOXKGUVPLTMQ-XIEYBQDHSA-N	489.527	6.407	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccccc2)o1	409001608	JLLLPJIXPRIDCU-LFIBNONCSA-N	485.384	5.025	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409012296	QEGUOGZQINCJJJ-IWIPYMOSSA-N	474.988	6.242	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409056952	FNVLIYDCUYWLJS-UUYOSTAYSA-N	454.998	5.775	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1Br	409101499	UJVXOFHWNUCEBN-XYOKQWHBSA-N	498.160	5.210	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	409229575	RIEOHFUPSMYETQ-DEDYPNTBSA-N	489.959	5.313	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409328327	SGOSWZWDQHPLCC-BKUYFWCQSA-N	493.522	5.488	10	40	JKCB	
CCc1ccc2c(c1)Cc1cccc(c1)CN(Cc1cc(C(C)(C)C)ccc1O)CCOCCO2	643563563	CLRVWVCMPALYBY-UHFFFAOYSA-N	473.657	6.254	10	40	JKCB	
CCCOC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2	8744471	ASIGJLIWVBVUQX-BERHBOFZSA-N	498.535	6.207	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1	8821417	VVXRYCMXKQQBGJ-KGENOOAVSA-N	455.988	6.053	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	9290696	RPLSJOTXGXPKDU-RQFVJUFOSA-N	451.571	5.823	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)c1	9291854	WNKFVBFVNUDXSK-DVELLGFNSA-N	453.571	5.378	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	13141836	MLQSBQCQZRNKTQ-UHFFFAOYSA-N	469.493	5.655	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2[N+](=O)[O-])N3)c1	14166052	YADXUNCPNMZVDH-OHUGHZGNSA-N	477.542	5.231	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1c1ccccc1	16488390	QNIZSGIDUIZQQR-LDADJPATSA-N	489.359	5.957	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1	19798704	DTEVBOPINLPSEA-STZFKDTASA-N	467.999	6.333	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCc2ccccc2)cc1	20288539	RNFUBCSVXBXJMQ-QJOMJCCJSA-N	454.555	5.120	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(C)c(Cl)c4)C(=O)N=C3O)o2)cc1	33330714	AZLPFBYXPMKTOB-PDGQHHTCSA-N	464.861	5.202	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1C	33828067	MADBSTSQURMMOF-XNKHQWLISA-N	471.561	5.518	10	40	JKCB	
C[C@@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1	34897741	IVERSTLFIWWDDQ-LBPRGKRZSA-N	459.727	6.233	10	40	JKCB	
CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1	35362228	BTXAPEHXESZJBY-ZQHSETAFSA-N	486.601	6.103	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCc1ccc(Cl)cc1	40006359	WXQZQVDBEFGICZ-UMUMUWHJSA-N	476.019	5.308	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	40567469	OSDUXXDMUOHWCA-SLVCOGOPSA-N	488.439	5.661	10	40	JKCB	
CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1	58847319	FFLYXZRXQNUYGY-OREGWCPLSA-N	495.044	6.755	10	40	JKCB	
COc1ccc(Nc2ccc(N/C(C)=C3\C(=O)N(c4ccc([N+](=O)[O-])cc4)N=C3C)cc2)cc1	112295008	PTQPYUBNCBXPAJ-JLPGSUDCSA-N	457.490	5.456	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223798858	ZQYKYFKBGDVFCF-RRPNLBNLSA-N	484.625	5.771	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224269634	MIHFQZFKSUVWRO-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1	408761384	JLWAJRLAOTZFQW-HYARGMPZSA-N	465.322	5.821	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c(C)c1	408802577	ZCDQJXPSTVDMDY-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(Cc4cccc(F)c4)c(OC)c3)C2=O)cc1	408868765	OLZJXNFKAGIVPR-LPYMAVHISA-N	492.934	5.307	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)c1	408890003	MKUZLOACMSWJEA-XSFVSMFZSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)c1	408942294	YXNOBZMSTRKEQX-HMAPJEAMSA-N	460.917	5.202	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409009431	FSBUGQYJYCRUEM-RGEXLXHISA-N	464.924	5.764	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)SC1=S	409034565	HNAKRMMQXPGDLN-GRSHGNNSSA-N	496.879	6.539	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC(=S)N1Cc1cccnc1	409125695	DVYWLITUXKWOGR-KSEXSDGBSA-N	494.016	6.279	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)c1	409143317	MVSSVYPFMOLTBW-HZHRSRAPSA-N	466.603	5.887	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409216578	JLRKWVIWXSTBGM-UDWIEESQSA-N	497.529	5.726	10	40	JKCB	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccc(F)cc1)Nc1ccc(Cl)cc1	920507	PIVWIXUJJKZPJO-UHFFFAOYSA-N	451.954	6.122	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	2626755	DVBBFPXHPPGWEL-DLUDVSRJSA-N	490.431	5.720	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3ccccc3Br)C2=O)cc1	8781322	HFHOPNGGBIRJDF-CPNJWEJPSA-N	476.465	5.566	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(Cl)cc2Cl)[nH]c1N1CCN(c2ccc(OC)cc2)CC1	8781620	BQADZTAYNCILKX-UHFFFAOYSA-N	474.388	5.500	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)o1	8927078	KVCBTEUDFUJUTR-HAHDFKILSA-N	493.565	6.128	10	40	JKCB	
N=C1/C(=C\c2c3ccccc3cc3ccccc23)C(=O)N=C2SC(Cc3cccs3)=NN12	8983599	ALXIEFSFKNHQES-OMYHDSEFSA-N	452.564	5.916	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(SCc4ccccc4)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9282644	YJJXLQPWCZYJKY-AXZYZTBISA-N	489.601	5.743	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1C(=O)c1ccccc1Br	16449232	PAWXKLTWHAEFTN-ZROIWOOFSA-N	483.206	5.253	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1	16678624	SUVZHSNGXPOPLP-UHFFFAOYSA-N	472.614	6.085	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1	27519458	GVTRCBCBAVBWDY-XMHGGMMESA-N	462.343	5.938	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1	36081973	GFYFOVDZPMOQQA-LFIBNONCSA-N	471.694	5.029	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(Br)cc1	39132428	OMBJHWAANIMUAN-XDHOZWIPSA-N	477.314	5.021	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F	58822165	LCFFBHKKPSXECH-FYJGNVAPSA-N	485.989	6.473	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccc(F)cc1	58822180	XPBLPSFWADCVFL-CIAFOILYSA-N	495.348	5.982	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58845749	PEXXZERVDQBMIJ-CEYNDMKZSA-N	461.543	5.531	10	40	JKCB	
COc1ccccc1/C=C1\C(=O)N(c2ccc(C)cc2)C(=O)N(c2cccc3ccccc23)C1=O	59484779	WMLZKHZFPLQGLT-HKOYGPOVSA-N	462.505	5.740	10	40	JKCB	
CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cc(Br)ccc3O)C2)cc1	65298116	HESGGYXXCZLMEH-QHCPKHFHSA-N	486.454	5.278	10	40	JKCB	biogenic
Nc1c(C(=O)OC2CCN(C(=O)Nc3ccccc3)CC2)sc2nc3c(cc12)CCCCCC3	215746050	QCLVGLOWWBAIQH-UHFFFAOYSA-N	478.618	5.391	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223313316	LRRBDBYXWLCSFZ-UCGXPXSYSA-N	460.647	5.257	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223382326	NDUULQJAMCCOSY-SXOMAYOGSA-N	452.627	5.970	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2[C@@H](C)CC1(C)C	223585395	BNUMRVZOBOCVRB-ICODJCHTSA-N	479.602	6.252	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223981643	PIXXYBUJWGAMHU-SXOMAYOGSA-N	496.640	5.328	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	224202929	HGHDVHIXATVAJJ-UIOOFZCWSA-N	456.590	6.114	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224299100	AOQQWSSNQLRBFO-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl	408535369	NVGVNEBMMNSTCG-WJDWOHSUSA-N	499.281	5.018	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3cccc4ccccc34)C2=O)c(C)c1	408804447	GBYXFYHSSGSZED-KOEQRZSOSA-N	476.532	5.702	10	40	JKCB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1Cl	408815872	SROHGYQRQOPOEB-QGOAFFKASA-N	484.339	6.313	10	40	JKCB	
COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1Cl	408848908	WXMSFAQANLZIIP-WEVVVXLNSA-N	476.168	5.140	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)C2=O)cc1	408898382	LWNOAALAMBYTPQ-ULJHMMPZSA-N	470.525	5.029	10	40	JKCB	
CCOC(=O)C1=C(C)N=C(SCc2cccc3ccccc23)N[C@@H]1c1ccc(N(C)C)cc1	408989767	LYYMIBFFASVYCI-RUZDIDTESA-N	459.615	5.677	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)cc1Cl	408989834	VFZDODLKPCAKEF-MYYYXRDXSA-N	496.950	6.047	10	40	JKCB	
C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408998848	CJTDQIORPJVSQA-OKNRFVQKSA-N	488.588	6.539	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1	409039854	WZAOKRLSOLQJEU-YVLHZVERSA-N	492.831	6.421	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc(Cl)c1OC(C)C	409050526	WSZOQRMPUIMFSO-SDQBBNPISA-N	488.840	6.028	10	40	JKCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)C1=O	409075873	YUWGBBADNOMXDL-OEAKJJBVSA-N	466.990	6.383	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CC(C)C)C3=O)cn(CC(=O)NC3CCCC3)c12	409127972	IEOSKSIOJATSOH-MTJSOVHGSA-N	469.676	5.120	10	40	JKCB	
COc1ccc(CN2C(=O)[C@@H](Cc3ccc(OCc4ccccc4F)cc3)SC2=S)cc1	409145666	OWMZHEMKMUATLO-HSZRJFAPSA-N	467.587	5.385	10	40	JKCB	
O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	868315	YFPARKNHYHLBCL-UHFFFAOYSA-N	495.516	5.603	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1)N1CCc2ccccc21	1340013	OVLSKJCODLGMOM-UHFFFAOYSA-N	478.061	6.775	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc(OC)c1O	9188821	LASFKIOLTBDKGT-STZFKDTASA-N	465.552	5.608	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4Cl)c4ccccc34)SC2=S)c1	9720759	VEUWAAYPZIWBNC-OYKKKHCWSA-N	475.038	7.057	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(CC(C)C)SC4=NC3=O)cc2)cc1	13940405	WNWAZUVJDBVMTI-VHDUERLVSA-N	462.575	5.118	10	40	JKCB	
CCOc1cc(Cl)c(Cl)c([C@@H]2N=C(O)c3c(sc4c3CCN(C(C)C)C4)N2)c1O	15947080	SCWKDRBFXMBMNM-GOSISDBHSA-N	456.395	5.355	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	34386880	CHLPTDFDGOOCEA-RPRMMSFASA-N	459.497	5.532	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(Nc4ccc(C)cc4)=NC3=O)c2)cc1	35201172	BELLJQRDRATXBS-HAHDFKILSA-N	457.555	5.403	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1OC	58847010	FRVZHGNORKJPCM-GNBJCERTSA-N	480.561	5.470	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl	98086449	UDRPSGQFUIHRHF-LICLKQGHSA-N	454.400	5.802	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1Br	107792360	DJJIFBWSELXDOZ-WJDWOHSUSA-N	496.224	6.083	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	113833419	ONFXWWNRXWOYMN-WSDLNYQXSA-N	496.541	5.727	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCOC)c2C)cc1	223057062	QGCVSCXYIDFBRX-KAYWLYCHSA-N	491.705	5.344	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223538243	ATWDCCXQNHSYAV-FTJBHMTQSA-N	469.614	5.065	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	223765257	STXSIQYWCKNCMP-PXJZQJOASA-N	496.680	6.600	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	224204209	RRMGUIDYWWQYHH-IZZNHLLZSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)C2=O)cc1C	260573634	ZEANDWPGCPWXJW-RIMPEIONSA-N	491.657	6.009	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1	408815774	UMDAZINGIWQRFG-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2cccc(Br)c2)C(=O)N1c1ccc(F)cc1	408843137	QMPGMKHLWWCYPU-XSFVSMFZSA-N	451.295	5.431	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)ccc1OCc1ccccc1Cl	408881491	LJHBFGCNZWEABS-DEDYPNTBSA-N	490.943	5.211	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1Cl	408981305	ANSOAKBEUAYVIO-NDENLUEZSA-N	481.335	5.547	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1	408983243	GOYUDNOITZIPFN-XKZIYDEJSA-N	460.917	5.202	10	40	JKCB	
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408998191	KNLACCAVQFGQTG-ARVYSTCASA-N	474.561	6.151	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1	409043689	TVJVUUSYJPEABA-YBFXNURJSA-N	485.298	5.378	10	40	JKCB	
COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	409047149	NASKTZDZWDBLMA-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCC4CCCC4)C3=O)cn(CC(=O)N(CC)CC)c12	409148774	RNNBIVXARDEDIH-KQWNVCNZSA-N	497.730	5.854	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc(Br)c1	409197160	XIZDBUBBWOSNEX-AUWJEWJLSA-N	455.742	5.417	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccccc1	409329193	DTTVZAGQSQWMDS-UCQKPKSFSA-N	492.578	5.978	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Br)cc3)C2=O)cc1	1896209	WCJFWXXAFQOEEF-XMHGGMMESA-N	489.460	5.632	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	9846000	KLSQSFKKGWRVGC-UQQQWYQISA-N	479.020	6.311	10	40	JKCB	
C[C@@H](c1ccccc1)N1C(=O)N=C(O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O	20324462	CNSGUBRUXMKXFL-HYTQYMIGSA-N	466.946	6.289	10	40	JKCB	
COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1	20352815	GFEONHWOOKTJEL-UCQKPKSFSA-N	475.526	5.573	10	40	JKCB	
Cc1ccc(C(C)C)cc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CCC(=O)O)C1=O	27018297	HTRGISJXWCFPSG-HMAPJEAMSA-N	491.638	5.647	10	40	JKCB	
COc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O	34828075	QJSLDAXWIQIIFX-NVNXTCNLSA-N	485.222	5.626	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	35039317	RMZFVTBENBZURZ-BUVRLJJBSA-N	459.592	6.182	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccccc2)cc1	44086296	CFLUTDUUVJFGBA-UHFFFAOYSA-N	463.990	5.991	10	40	JKCB	
COc1ccc(N2CCN(CC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)CC2)cc1	57551883	IRBQOYGYRVCVPU-UHFFFAOYSA-N	472.614	5.041	10	40	JKCB	
CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)C1=O	59087288	IFHJHUCWMJPEDR-RQZCQDPDSA-N	486.753	5.428	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4)=NC3=O)cc21	208472254	PVIJRSOOGJYKGY-UKWGHVSLSA-N	458.414	6.708	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	222950805	WFZZOOONZBCOIW-SXOMAYOGSA-N	489.689	5.098	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223898142	WEXTWCBOAKAGQD-NSOVKSMOSA-N	497.668	5.741	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224011844	MHIORTOAVKSNIX-SXOMAYOGSA-N	482.609	5.703	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccc(C(=O)O)c1	224401800	GYIQJWQMXWCZCM-JWQCQUIFSA-N	486.572	5.504	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224436544	CMYLKXMXCFAWRK-BDYUSTAISA-N	470.617	6.422	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c(OC)c1	224823986	MSFUGUMIPAWYRS-IZZNHLLZSA-N	470.598	5.375	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C	224904328	KJIQFRIGZYYUPM-XRKRLSELSA-N	498.671	6.985	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225349228	XZAAEINGCMWKBA-KAYWLYCHSA-N	497.668	6.157	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O	260564882	FTECESZVVGYTIX-DTLUWHCESA-N	458.624	5.484	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	260924233	SKQANPZJEDEFTD-DHIUTWEWSA-N	471.070	5.376	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)cc2Cl)cc1	408779749	JROOQAIWFTYVJS-LDADJPATSA-N	451.309	6.681	10	40	JKCB	
COC(=O)c1ccc(C)c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)c1	408781734	DIBJVMZAYBWWHE-HYARGMPZSA-N	454.482	5.470	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccccc1Cl	408938635	LHUBUTBWISRTPT-KGENOOAVSA-N	460.917	5.370	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccccc1Cl	408967772	USBTYPXXQYEZLY-MHWRWJLKSA-N	488.371	5.371	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1C	409072505	VRXJNDLXBOIJIE-KGENOOAVSA-N	462.958	5.774	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409214330	WYFHIDFFRANADE-UWVJOHFNSA-N	481.401	5.636	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(C(F)(F)F)c1	2932504	VCQKXHAMWFAYFS-WOJGMQOQSA-N	476.457	6.279	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c(C)n1-c1ccc(F)cc1	3267581	OZNVNPGYDNUZSN-UHFFFAOYSA-N	473.598	6.880	10	40	JKCB	
COc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1	8819744	XPFFMJKSZQFNCH-QNGOZBTKSA-N	454.617	5.404	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	8916774	AZDLDOXVLZZACI-AEDFNUKKSA-N	477.952	5.554	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4OCc4ccccc4)S3)CC2)cc1	9188215	XPMRAVXVHRSWKP-XHPQRKPJSA-N	485.609	5.067	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCCOc3ccc(Cl)cc3)C2=O)cc1Cl	9424418	DFZXBMIEGVERPK-STZFKDTASA-N	498.366	5.239	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1Cc1ccccc1	12466111	QFBGFVIKUBHYQV-ONUIUJJFSA-N	467.615	6.820	10	40	JKCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	14009256	JTCPEVVINIEVSB-UNOMPAQXSA-N	477.388	5.110	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)c1	16269351	FSUUGTKMUYHECH-XKZIYDEJSA-N	463.990	5.196	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)C(=O)N=C2S1	26642063	QDMXKTJFKWDJAU-HGEMSSTASA-N	480.565	5.613	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1	28617727	XFDPUWIBADUZMB-QLSUFNALSA-N	476.945	5.607	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1	33742885	XIZUZKTZXQXOSJ-XYGWBWBKSA-N	470.981	7.155	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	35974756	YDVDPBCNHMNVHM-WPHSCVLSSA-N	484.470	6.183	10	40	JKCB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(C)ccc2C)N3)c1	58849360	RQXJSEWQWYEMDT-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
Cc1c(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc2n1Cc1ccccc1F	59136265	URYGWOUWRDUWEW-XSFVSMFZSA-N	487.531	5.948	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCCC(C)C	96193351	PFRCLXGCCCTQKK-WQRHYEAKSA-N	456.926	5.278	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc21	208467487	VKLGBNRXIPVQGO-JJFYIABZSA-N	453.007	6.517	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)cc2C(C)=CC1(C)C	208518481	OYLLVAIUPLXBFQ-KGENOOAVSA-N	459.615	5.157	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(F)cc1	223460307	XXPRJRHADKPZPE-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224167803	XYIISAZGZJRDHO-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C	224267320	SMGFLLVDJZJSFR-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1	224481120	FVUQBSBWGSHOML-LOSJGSFVSA-N	475.017	6.020	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1	260567524	LSBJCQMCISSXGX-IERINAHZSA-N	489.616	5.561	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)cc2)C1	260735362	GWSPFPKCAMYTRC-SFTDATJTSA-N	464.679	5.597	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(c4ccc(Br)cc4)C3=O)cc2)cc1	408528472	GGYIFDYOHCIEDN-STZFKDTASA-N	498.492	7.315	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)cc1	408782252	GLACYORXMCOPFA-KOEQRZSOSA-N	462.505	5.394	10	40	JKCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	408810906	KPUQFMVSTRNSRI-KGENOOAVSA-N	460.917	5.202	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCc2ccccc2F)C1=O	408890801	ZLLRWYHYAMHDBE-QGOAFFKASA-N	464.880	5.033	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	409001017	OLTBRHVAMJMWCU-ONUIUJJFSA-N	469.537	5.147	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21)NCc1cccs1	409124954	COBMTUGANKBSEC-XKZIYDEJSA-N	489.647	5.425	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O	409245493	UQJFLGLDCCLCKM-PDGQHHTCSA-N	498.366	5.466	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)CC	409346658	NXUZEQXKOFMSGD-GHOUAXAESA-N	482.454	6.975	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1OC	409346939	LULRCTJOHIJGMQ-WQRHYEAKSA-N	477.991	5.005	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(Cl)cc3Cl)C2=O)cc1	2217204	PQGMVMZMQKMCNL-WOJGMQOQSA-N	465.427	5.922	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)C2=O)cc1	2224509	JYWHQWHNQHFLOC-PZBNQXIHSA-N	472.497	5.753	10	40	JKCB	
Cc1ccc2nc(NCC(C)C)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1	2255076	VSDIYDIQAMJFME-SYERDGIWSA-N	478.643	5.033	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)SC1=S	2306890	HPZVRRDZTGTRCH-JCMHNJIXSA-N	463.628	5.858	10	40	JKCB	
CCCc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)sc1C	3363153	SBMZQMVHXRFXBK-UHFFFAOYSA-N	474.420	6.219	10	40	JKCB	
O=S(=O)(c1ccc(/N=N/c2cc(Br)cc(Br)c2O)cc1)N1CCCC1	8400621	BZPAAGSTGUJDHL-FMQUCBEESA-N	489.189	5.117	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCCCCC(=O)N(CCO)c1ccccc1	8820207	BWQNNNXLKHKZIZ-FXBPSFAMSA-N	489.062	5.127	10	40	JKCB	
CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)C1	8917900	WIMLOHBGWSTMRH-KWMCUTETSA-N	461.558	5.337	10	40	JKCB	
Cc1cc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)nc2ccccc12	13148761	CLZLCYPAUMEULA-UHFFFAOYSA-N	452.526	6.527	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cccn2CCOc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1	13570400	AXKXSSIGZMOKKZ-QGOAFFKASA-N	488.302	5.520	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O	14133108	ZOZSSGPAFIEGBF-XSFVSMFZSA-N	491.341	5.003	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21	20059453	GNAJJXRIGBJESF-SGWCAAJKSA-N	470.572	7.248	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCCc2ccc(Cl)cc2)cc1	20288597	BKAZMNQHFMVKOS-ULJHMMPZSA-N	463.940	5.345	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	35039314	YDLNPBYGDFWPRF-NLRVBDNBSA-N	473.663	7.322	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S	83259486	BPNGBMHXPIFUNU-BOPFTXTBSA-N	464.406	5.258	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113830996	OPKWPEKIUWLLML-WQRHYEAKSA-N	476.457	6.279	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc21	208451089	KQMVLINRMOIDFQ-UUYOSTAYSA-N	452.023	6.671	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Br)cc4)c3C)N21	222698646	BANQDBWMQSLWRA-OFAXGOBFSA-N	481.463	6.231	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cc(Cl)ccc1O	222911972	FXUKQAYMCQEVPO-DHIUTWEWSA-N	455.027	5.477	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	224200627	NRUGDCWPRVVMSI-KYJUHHDHSA-N	488.660	7.128	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224204492	CIWYLQHGCJZNIL-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224206691	GDJXNDCSNCPTCB-XCZPVHLTSA-N	466.654	6.592	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224241138	DFRFKBURIWQRCQ-UIOOFZCWSA-N	453.615	5.678	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(OC(C)C)cc3)c2C)cc1	225343162	OJYMLZPKJFTYKC-URLMMPGGSA-N	496.680	6.762	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)C=C2c2ccc(Cl)cc2)cc1	408753408	MPHXJCXYPSFTKY-XSFVSMFZSA-N	475.928	5.615	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(C)c(C)c1	408817718	WOVYLTZWTCIMRC-BUVRLJJBSA-N	484.552	5.256	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408820596	XCRIKYGJHJTMPD-DEDYPNTBSA-N	490.346	5.663	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OCC	408874958	GOEMYMLHSRMQFM-UHFFFAOYSA-N	470.525	5.458	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2/SC(=S)N(c3ccccc3)C2=O)c1	408902482	OIRSRYTXIVQNOL-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(Br)c1	409098070	IFIWWNOFFATESS-SRZZPIQSSA-N	468.326	5.089	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc(Br)c1OC	409173716	QPPBVVINAYHVHS-PZROIBLQSA-N	465.731	5.854	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	409200481	HNFXCDCEZXMCKV-MKMNVTDBSA-N	490.187	6.070	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC	409340107	QMNQSBGOQAGRTQ-VCHYOVAHSA-N	454.400	6.197	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SC(=S)N1C1CCCCC1	409346183	MXAIHMZUYFKQND-XYGWBWBKSA-N	494.081	7.606	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	2671702	FXRXGHFGJVHLNT-JCMHNJIXSA-N	479.627	5.094	10	40	JKCB	
O=C(Nc1ccccc1)Nc1n[nH]c(NC(=O)Nc2ccccc2)c1/N=N/c1cccc(Cl)c1	8453281	VBZRYMBDQJIAJW-QVIHXGFCSA-N	474.912	6.767	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)SC2=S)cc1	8821266	MOPUBDZYXPIVNI-ITYLOYPMSA-N	473.663	7.322	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)SC2=S)cc1	8821304	XGJNZMHVJRTUPZ-UQQQWYQISA-N	475.635	6.027	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)CCN2Cc1ccccc1Cl	9466068	PHKBBYNRCQZXBJ-KGENOOAVSA-N	492.362	5.223	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(COc4ccc(F)cc4)o3)c2C)cc1F	11195728	JSVPQXTUYOWVGL-UHFFFAOYSA-N	469.513	5.618	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1	13943034	TUNODDOJGJFFMM-BKUYFWCQSA-N	467.308	5.239	10	40	JKCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc23)C1	19793081	HLJGASGSGIVPEH-MRXNPFEDSA-N	489.534	6.839	10	40	JKCB	
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1	21123971	XVZXXRGXXRKRDT-JXMROGBWSA-N	452.938	5.406	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(OC)cc1)N1CCN(C)CC1)c(O)c1ccccc12	22810536	MNJLDTWIVWQWOM-AREMUKBSSA-N	488.584	5.122	10	40	JKCB	
CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(C)c4)C3=O)o2)ccc1Cl	32109808	HWIUGRUNUFTLSV-STZFKDTASA-N	478.932	5.245	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC(=S)N1C1CCCCC1	32124620	AAWROKNTYLAZHA-DEDYPNTBSA-N	491.059	6.933	10	40	JKCB	
CCc1cc2c(oc(=O)c3cnc4c(sc5nc(C)cc(C)c54)c32)c(CN2CCC(C)CC2)c1O	32501415	YXIWZUYAVIEPAI-UHFFFAOYSA-N	487.625	6.221	10	40	JKCB	biogenic
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1C	33920942	SDSPRQDRXIRBBM-XDWJAMLSSA-N	488.016	5.977	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)N=C2S1	41083023	OGMCRCLDXYPGOQ-JSIBOBQWSA-N	470.396	5.439	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223973997	ZPZDPTXRBIMZOL-SVBPBHIXSA-N	499.615	5.764	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224018066	DZELUGVIEUGTIB-WUFINQPMSA-N	496.636	6.012	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C	224267903	JFJKIGSGSYQBMH-SVBPBHIXSA-N	487.072	6.936	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224463047	UWDWUXZMUNMUDD-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21	224861423	RHXMFSMOKOSONC-JWQCQUIFSA-N	491.060	6.249	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1cccc(F)c1	225504483	XDTYIGDYYNYGRX-SXOMAYOGSA-N	499.615	5.239	10	40	JKCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1	408762967	MFDVLPKLCPVVBZ-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(OCc2ccc(Cl)c(Cl)c2)c1	408816164	SRDRROGJRKBOLM-XDHOZWIPSA-N	497.334	5.247	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Cl)c3)C2=O)c(C)c1	408881473	NKDYFWMPCAYCAV-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C2=O)cc1Cl	408983307	LHAZCKFFNKVTKK-NVMNQCDNSA-N	486.330	5.515	10	40	JKCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)c1	409091486	UTBLHHRLXHYUOO-YDZHTSKRSA-N	488.565	5.933	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)c(C)c1	409148098	XGHGVSYSVDEUMI-WJDWOHSUSA-N	471.365	5.702	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)SC1=S)c1ccccc1	409183074	POSUSCIVDIRFAV-UQQQWYQISA-N	496.613	5.965	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)c2ccccc21	409205311	BGXZHPQNSJCTDM-XQNSMLJCSA-N	456.546	5.510	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccc(F)c1	409231651	DTOWNPHHUSAUGH-KEBDBYFISA-N	487.478	5.083	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccc(F)cc1	409237490	WZYVOVQYQCSKTO-CIAFOILYSA-N	483.952	5.562	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(OC)cc4)C3=O)c2C)cc1	409240954	MIWHHOBQXDZSCN-BUVRLJJBSA-N	489.597	5.340	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)c(Br)c1	409241370	RYKSKRYVUVVTNF-SFQUDFHCSA-N	481.371	5.157	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	1826529	JWJOKPAWLZTGFL-KQWNVCNZSA-N	459.640	6.382	10	40	JKCB	
Cc1cccc(N[C@@H](c2ccc(OCc3ccccc3)cc2)c2ccc3ccc(C)nc3c2O)n1	2094677	GSZIEKUUOZPTTD-NDEPHWFRSA-N	461.565	6.733	10	40	JKCB	
CCN(CC)c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1	2229184	HROCDVMVAKVXKD-UHFFFAOYSA-N	455.583	5.281	10	40	JKCB	
O=C1C(=Cc2ccc(Cl)cc2Cl)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	3017920	CSIIFJJKDDYVSQ-UHFFFAOYSA-N	453.350	5.742	10	40	JKCB	
CC[C@@H](C)n1c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)nc2ccccc2c1=O	3442651	PYAVCQGRKFKIQT-MRXNPFEDSA-N	489.597	5.479	10	40	JKCB	
[N-]=[N+]=NC[C@H]1O[C@H](OC(=O)c2ccc(Cl)cc2)C[C@H](N=[N+]=[N-])[C@@H]1OC(=O)c1ccc(Cl)cc1	4277015	GTVZYBHRETXPMQ-MLHJIOFPSA-N	491.291	5.480	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)s1	8819805	BXMPKNGRYUCUAG-SDXDJHTJSA-N	488.704	5.589	10	40	JKCB	
CC(C)(C)OC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	8828424	UGFPOKUCKLZCCK-GZTJUZNOSA-N	465.518	6.067	10	40	JKCB	
Cc1cccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	8997345	VTZATYUREWBBNL-LFVJCYFKSA-N	483.524	5.514	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c2ccccc21	9065945	JACNWKOINRIIED-VTGHKQSHSA-N	471.586	5.304	10	40	JKCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	9188575	PTVFPQMIEKZSDY-IUXPMGMMSA-N	455.479	5.137	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)c1	9309200	WORRRIKGMOTAEW-HZHRSRAPSA-N	465.578	5.138	10	40	JKCB	
COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(c2cc(Cl)c(OC)cc2OC)C4)cc1	9423267	KIPMNPGATDYDHD-UHFFFAOYSA-N	479.916	5.496	10	40	JKCB	biogenic
O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21	9968535	XEDPWZUJSGAHKG-MIZPHKNDSA-N	464.790	7.160	10	40	JKCB	
COc1ccc(OCCOc2ccccc2OC)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	12628942	ZULNTNWMTGKIPR-ULJHMMPZSA-N	493.606	5.567	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4OC)ccc3o2)cc1	16678644	RRMVELHVKVPKRQ-UHFFFAOYSA-N	474.586	5.476	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1	20036328	UUHHVGUAAGQRTJ-PCLIKHOPSA-N	460.553	5.172	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c(C)c1	20324871	VLRXEEGNZJFZND-NDENLUEZSA-N	472.056	7.248	10	40	JKCB	
C[C@H](COc1ccccc1)COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	26593216	WBFZKJFAOHWBBL-VKINRBECSA-N	461.608	6.186	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3cc(Cl)ccc3C)=NC2=O)cc1OC	33614756	TZYRIJWBTRGMSW-GJUHEBOISA-N	465.402	6.570	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)SC1=S	33629133	QJMKSKVRBRXTAG-SXGWCWSVSA-N	468.383	5.492	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4OCC)c3C)C(=O)N=C2S1	35306344	RBFIOGYICAQZEE-FKODFALISA-N	463.607	5.692	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2	58847109	NOQKYCSFVPNGPB-YZUZCNPQSA-N	499.405	6.216	10	40	JKCB	
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc(/N=N/c2ccc([N+](=O)[O-])cc2)c1O	101132174	MRNBDIGPVRKDOB-DQPVQCHKSA-N	471.407	5.076	10	40	JKCB	
CN(CN(C)/N=N\c1ccc(Br)cc1)CN(C)/N=N\c1ccc(Br)cc1	104239789	BIGWGIVXMICKSC-YEUCEMRASA-N	483.212	5.620	10	40	JKCB	
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)c1	107657242	JOTVHLSMPNFGMD-BYYHNAKLSA-N	472.574	5.849	10	40	JKCB	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc(-c3ccccc3)cc1)[C@@H](c1ccccc1)OC21C(=O)c2ccccc2C1=O	169619599	NBVUTOWQEBFCTK-ZONZVBGPSA-N	499.522	5.049	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc21	208467096	OQVUWUJKIGVEQR-FBHDLOMBSA-N	483.977	6.116	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223413174	PKSSFXZKGNKKIQ-CLJLJLNGSA-N	469.614	5.065	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)cc1	224463259	GWZCUXQRMYFYKW-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)cc1	224586757	ZPWDRSLPFWUGNZ-FTJBHMTQSA-N	470.598	5.375	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c(C)c1	224607820	CTNFEYONGRQNHN-XCZPVHLTSA-N	482.653	6.297	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408647245	WTJHVPDJYKZYIB-IBGZPJMESA-N	497.507	5.541	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)N=C(c2sc3ccccc3c2Cl)N1c1ccc(Cl)cc1	408754554	KTWHMBMFTBRPHN-CPNJWEJPSA-N	467.352	7.182	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1c(OCc2cccc(F)c2)ccc2ccccc12	408887848	UIPLXYVEPVATSF-JCMHNJIXSA-N	484.458	5.363	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2cc(C)cc(C)c2)c1	408901065	ZUMXEIHXKMANAD-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	409137694	YFYQOADLVNPKJZ-IWIPYMOSSA-N	452.689	6.999	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)SC1=S	409144052	NWHOAOIRRIYUTJ-WSVATBPTSA-N	495.826	6.076	10	40	JKCB	
O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	828130	UZZMKLHWZAWQJJ-UHFFFAOYSA-N	495.516	5.603	10	40	JKCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc23)CC1	1747674	PVHPTPVSSOJKPM-UHFFFAOYSA-N	451.872	6.070	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	2262559	GVDIAECVHUDJBA-PGMHBOJBSA-N	487.090	6.149	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc2c(c1)CCN2Cc1ccccc1Cl	2382029	SEQPXKJRCIZTDT-BKUYFWCQSA-N	492.362	5.223	10	40	JKCB	
CCCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2)C(=O)c2ccccc2C3=O)cc1	3139612	YFJREFHNGLCVDF-UHFFFAOYSA-N	467.568	7.539	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3F)c2C)cc1C	3315006	IGKFFHCPFYOHAL-UHFFFAOYSA-N	494.588	5.517	10	40	JKCB	
CCCN(CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2cc(Br)ccc12	3378272	YDSOZTJVCFQMOL-UHFFFAOYSA-N	457.368	5.167	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OC(=O)c1ccc(C(C)C)cc1	8495598	KNZVYQGYPHBCEO-ZKZDLDBDSA-N	476.558	5.067	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN12	9113186	CESAAFUWYQOMLZ-FTDHXZADSA-N	482.846	5.240	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2OC)cc1	9296557	IUWJUGVRSTYHEW-GNUZOCDUSA-N	478.035	5.809	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1	12032428	QBJMYRYFNIJHJF-LYBHJNIJSA-N	478.683	5.458	10	40	JKCB	
Cc1ccccc1COc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	13810011	BCVHCMRYHFVWCS-FISJVANTSA-N	451.551	5.878	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1cccs1	13810224	UEPKETIZIHYKDY-HACRSSKKSA-N	487.562	5.280	10	40	JKCB	
CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	20970421	FVQNWLIMDQRUPK-XMMPIXPASA-N	457.965	5.683	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1	31948657	HYCHGPVOFJRREH-FWPSJRISSA-N	458.996	6.140	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	33628887	UUKUUUQHFFOKAH-BNLMHUEYSA-N	481.625	6.447	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1	33896892	ZOAZBAWXSKTUFY-GLXMVNEWSA-N	488.613	5.018	10	40	JKCB	
Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)c1	35043055	RNTNUOIHYMHSIW-GRSHGNNSSA-N	455.879	5.605	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3cn(Cc4cccc(Cl)c4)c4ccccc34)S2)cc1	35317667	XRJUKJOMZPOZRL-OYKKKHCWSA-N	457.986	6.734	10	40	JKCB	
O=C1/C(=C/c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)SC(=S)N1C1CCCCC1	83327551	LRIFDGTWYDHMTN-ZHZULCJRSA-N	454.573	5.425	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O	208242987	VVYHWGFHUXOHBL-UZUMKDMXSA-N	465.981	5.291	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccc(C(=O)O)cc1	223100028	JNXXGOQRQAQFED-DQEYMECFSA-N	474.630	5.493	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224164633	ZPUJSTNHAOFURY-SVBPBHIXSA-N	452.627	6.229	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)c1	224533173	ZRBDNUSZTFPBSS-IZZNHLLZSA-N	470.598	5.380	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(CSc4ccccc4)cc3)cc2)CC1	225655247	MYEDVYRUISPLDZ-JOCHJYFZSA-N	475.727	7.263	10	40	JKCB	
COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1\C(=O)N(c2ccc(Br)c(C)c2C)N=C1C	408529790	HZSHMWAMOKHKKG-LCYFTJDESA-N	493.745	5.355	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc4ncccc4c3)C2=O)cc1OC	408751694	BRKWFTLOMRZRKJ-KGENOOAVSA-N	468.940	6.377	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc(C(C)=O)c3)C2=O)cc1OC	408758658	OQHYPKXFFGKXJP-FYJGNVAPSA-N	459.929	6.031	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1	408776331	NSJAOHQTZFIBML-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccccc2Cl)cc1	408845990	XBELEEGWXGJQHF-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)C1=O	408890063	NECUALFLNZHUAF-UQQQWYQISA-N	494.522	5.787	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409012108	IVEUTPFTJGMBQM-XYGWBWBKSA-N	470.569	5.597	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)ccc1OCc1ccccc1F	409162645	YDQLDRYFMDSZMQ-HSZRJFAPSA-N	473.635	5.765	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3)C(C(=O)OC)=C2C)cc1	409253459	GHOYVDRMMWIOQX-BWAHOGKJSA-N	453.538	5.705	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4C)C3=O)cc2)cc1	409333630	UYALANLEKGASIQ-HZHRSRAPSA-N	474.607	5.727	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1c1ccc2c(c1)OCO2	409338354	IHSSLUPJYATJPB-REZTVBANSA-N	487.921	5.196	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C)c2C)cc1	2662849	FZPYHKZQFVVJMQ-UHFFFAOYSA-N	495.004	5.305	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	9136098	IPJLKCVIONTONL-MULLOCEMSA-N	498.718	5.267	10	40	JKCB	
COC(=O)c1ccc2c(c1)C(C)(C)C(/C=C/C=C1\N(C)c3ccc(C(=O)OC)cc3C1(C)C)=[N+]2C	12524078	BABABNHVAJORQL-UHFFFAOYSA-N	473.593	5.134	10	40	JKCB	
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O	13749936	LDRZKJCDMCQIBZ-HGBKYHTQSA-N	492.670	5.283	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl	14406686	YSSGVCZZWHJMBV-BOPFTXTBSA-N	491.725	5.278	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1	16678598	PDCMPADKGIFWHO-UHFFFAOYSA-N	491.591	7.172	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1cccc(C)c1	17113011	ZRGJNYITNYYVPJ-DCAHJCEHSA-N	481.577	5.887	10	40	JKCB	
C/C(NCCc1ccc(Cl)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	20287915	CSFTVTQRYJEFSC-QJOMJCCJSA-N	460.921	5.105	10	40	JKCB	
CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	34856617	WDZLPGMFOFJOGH-ULJHMMPZSA-N	455.514	6.006	10	40	JKCB	
CCOC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)=NC1=O	51330478	XDNGEPOPBLSROL-MZQXWZJYSA-N	471.582	5.359	10	40	JKCB	
Cc1cc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)c(C)n1-c1cccc(C(C)C)c1	58157474	DAZRDPOMPAGCBH-FQEVSTJZSA-N	470.577	5.261	10	40	JKCB	
O=C(/C=C/c1ccccc1)N[C@@H](Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl	100389221	YILBAQDXYGUBKJ-KYRIJHCFSA-N	473.791	7.040	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223230631	YNZXOZURZRZHNQ-AHWVRZQESA-N	461.679	5.030	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C2=O)cc1	223513967	LQCAYXXNCCDOQT-BUVRLJJBSA-N	487.600	5.470	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1O	223897436	RSGJZVXCNWYUFJ-RRPNLBNLSA-N	483.641	5.438	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)c1	224302505	PWLYUJBPTVLCCC-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224307812	WIHKDFQYVJFALB-PQHLKRTFSA-N	494.708	7.154	10	40	JKCB	
Cc1ccc(O)c(CN2CCC(COc3ccccc3)(CC(=O)N(C)Cc3ccccc3)CC2)c1	257336975	YQWDGTDHLSAZOX-UHFFFAOYSA-N	472.629	5.411	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NNc1cc(Cl)ccc1Cl	408526634	BVXCKYASQIYPCF-ZROIWOOFSA-N	468.182	5.596	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2cccc(Br)c2)cc1	408753754	CIGYMXOFIUQAPW-KGENOOAVSA-N	463.331	5.301	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)NC2=S)c1C	408781713	DENKJKFCHXMJCP-LFVJCYFKSA-N	485.653	5.840	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OC(C)C	408807496	CUEAURBDQCONNY-AWNIVKPZSA-N	483.735	5.109	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C	409211294	MWAKBYQACOLEQB-UFFVCSGVSA-N	483.933	5.905	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O	409334935	XAMHXFJWFFGAAL-DHDCSXOGSA-N	470.797	5.613	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1	8820959	IGUVYLQXEHRKEG-PXLXIMEGSA-N	451.979	6.529	10	40	JKCB	
O=C1N=C(O)N(Cc2ccco2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	9089692	MGHXCUDKQXGFSY-KEBDBYFISA-N	494.334	5.456	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5cccc(Cl)c5C)c4C)C(=O)N=C3S2)c1	9210520	FRXSPMDFGJGFJQ-OAXZUEFOSA-N	488.016	6.032	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	9322201	SSWKQIHIZFPUOU-LPYMAVHISA-N	491.931	6.032	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)c1	11667398	QXBWICMHFMCVIA-NDENLUEZSA-N	475.342	5.629	10	40	JKCB	
CCN(CC)S(=O)(=O)c1ccc(/N=N/c2cc(C(C)(C)C)cc(Br)c2O)cc1	12040459	YEZAUNURENALBV-GHVJWSGMSA-N	468.417	5.898	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4c(nc5ccccc35)CCCC4)c2C)cc1	13145327	LWFRFRZKIWGGAG-UHFFFAOYSA-N	496.563	5.347	10	40	JKCB	
CCc1cc(C)cc(OCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1	26675960	UYLFGIXUWZUVSG-MOSHPQCFSA-N	478.035	5.508	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1Br	34898006	JJJLOYFNBHZNGD-GZTJUZNOSA-N	492.325	5.333	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)SC2=S)c1	35039195	PWMLDJJIZISIGO-BUVRLJJBSA-N	459.592	6.182	10	40	JKCB	
COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccccc2)cc1	44086294	XRLFRZUHFOWCOR-UHFFFAOYSA-N	463.990	5.991	10	40	JKCB	
O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2	58847026	LITSSDYVOKISSS-SRGWNRLKSA-N	488.506	6.472	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccc(Br)cc1	59198277	DXWYGZNZRMMLQK-DEDYPNTBSA-N	495.304	5.674	10	40	JKCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3c3ccccc3)cc2)c1	59474886	FSGMNRDLYXFRGW-NHFJDJAPSA-N	458.517	6.049	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	107839150	GIQRIRBFQYMPFF-VXLYETTFSA-N	478.401	5.060	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223418909	KLJFGQGZIFSWJZ-SXOMAYOGSA-N	468.626	5.670	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223503356	MJWWJKMKEKHILL-IZZNHLLZSA-N	497.624	5.063	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(F)c1	223895544	RBBIQALPXXTCDZ-SVBPBHIXSA-N	485.632	5.871	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1O	223897384	RSGJZVXCNWYUFJ-SXOMAYOGSA-N	483.641	5.438	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(O)cc1	224434216	ZZBWNGLJDBKTES-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224438509	PMCIRNJPVXBSAH-IXCJQBJRSA-N	484.644	6.676	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224535877	JAFKYPWXAJPBGP-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c(OC)c1	224812618	BEPARZBCHRIJGT-KAYWLYCHSA-N	499.640	5.387	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	408588311	VNXNGJQDDCAZFE-JCMHNJIXSA-N	475.928	6.018	10	40	JKCB	
CCn1c(S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408634502	VNBZPSUYKYKXFP-OEAKJJBVSA-N	494.617	5.190	10	40	JKCB	
CCc1cc(Br)ccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1	408645857	LSVLHLBHLKNPCL-UHFFFAOYSA-N	455.352	5.215	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	408864124	SJZFYHFFQDDLGC-IMWIBFENSA-N	496.832	7.517	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1Cl	408900923	ACRXMJNDERDMTP-CIAFOILYSA-N	483.014	5.940	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1	408901485	FVMBOWDRVCITCL-CIAFOILYSA-N	451.353	6.687	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1Br	408986616	RNDJPKWFODPQHN-RCCKNPSSSA-N	460.371	6.628	10	40	JKCB	
CCCCOc1ccc2ccccc2c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409005568	FGNZSCVXSWNRGL-UHFFFAOYSA-N	490.559	6.602	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	409048472	WTEBRDZRJYDKMQ-LZYBPNLTSA-N	479.836	6.249	10	40	JKCB	
CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)SC1=S	409133329	QFWQRHMOPCANQP-LSCVHKIXSA-N	477.836	5.937	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c(Cl)c1	409144535	LMKMFARNYFWBHK-YBFXNURJSA-N	499.957	5.363	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)SC1=S	409145142	PJLOZGOSZPIWNI-HMAPJEAMSA-N	495.651	6.375	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	409159733	WURDGOFPKYIEKI-ISJBWFOZSA-N	463.002	7.675	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409173717	QPPBVVINAYHVHS-SOZUMNATSA-N	465.731	5.854	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1	409245071	MZFGZRHEGKFQFE-JLPGSUDCSA-N	483.568	5.222	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2F)SC(=S)N1c1cccc2ccccc12	409346652	NWMKPKOOJURBNI-XYGWBWBKSA-N	471.578	6.964	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/C=C\c2ccccc2)SC1=S	409372248	PVHPNQXAJFULLW-HASPRUBHSA-N	450.372	5.488	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2ccc(OC(=O)/C=C/c3ccccc3Cl)cc2)SC1=S	2682700	DISJJPVCXAILQI-RGRQOOPWSA-N	474.003	5.197	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1Cl	8741393	SASCEZBLHNCZMR-AXHZCLLHSA-N	481.335	6.947	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(Br)ccc1OC	8853711	REONZJAQFXKRCX-UYRXBGFRSA-N	456.336	5.033	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	9291215	ZQDWNOJBZYAGNN-VMJYKDGMSA-N	487.673	6.691	10	40	JKCB	
Cc1cccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1C	9553371	BGMBGLGGPRVCRL-BWAHOGKJSA-N	475.635	6.557	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@H]3C=CC[C@H]32)cc(Br)c1OC	9763399	HSJLBXMGTFVQKV-PISHQANHSA-N	489.624	7.253	10	40	JKCB	
COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3OC)c(C)c2)c1	12620942	XIWHNUKNFUCHHG-BYYHNAKLSA-N	463.490	5.232	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c1	12652776	RATYIPYEACMKOZ-OCKHKDLRSA-N	492.311	6.327	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c1	16160828	QTPGRYUEJAIWEX-MFYXSQMNSA-N	476.540	5.124	10	40	JKCB	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1	28295108	NXPIWLFKKCYSAP-AUAXKSBWSA-N	484.537	5.425	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1	33908967	RJHGMZYDLNUGMW-UYRXBGFRSA-N	460.397	5.401	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)c2C)cc1	35306357	VGQUWSNHTXDIML-KLUMOMIWSA-N	469.570	5.160	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	41082873	ZSODSFGLVHBKSV-VNXMLOOYSA-N	473.524	5.922	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	205664763	VVWOVLNWKDPXTJ-SRZZPIQSSA-N	484.936	5.821	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	214483512	IYANTRJHTRULBB-FYJGNVAPSA-N	465.962	5.423	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223458513	UKSSNNXHQBIICQ-FTJBHMTQSA-N	453.615	5.365	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)cc1	223981743	PIXXYBUJWGAMHU-KAYWLYCHSA-N	496.640	5.328	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccc1C(=O)O	224605229	BQUXRPKHLNJVRS-LOSJGSFVSA-N	484.581	5.070	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225503233	QJCBRWIVYPPVCP-KAYWLYCHSA-N	481.625	5.100	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1	408892621	DAHUCLBBOHJGEV-YDZHTSKRSA-N	474.944	5.511	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1Br	408931284	JMLNZOLTYXIZKO-NDENLUEZSA-N	484.781	5.603	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408986285	PLLRCRHUHYCSJT-XDHOZWIPSA-N	490.353	6.048	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C(=O)NC1=S	408995305	LXXGAYSYDJSGPH-LFVJCYFKSA-N	479.605	5.392	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Br)c1OC	409082027	RFSXKRBNHKXMAK-ZHZULCJRSA-N	477.358	5.691	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409190826	RDRPSSMEIBJCDL-ONUIUJJFSA-N	485.008	7.655	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1	409209302	ISJFXJPNLOSOHT-VXLYETTFSA-N	474.922	6.362	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCc1cccc(C)c1	409326348	ARFAAVUABQZCIY-OYKKKHCWSA-N	493.675	6.710	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)SC1=S	409334392	XHHINJYAXDCDSW-YBFXNURJSA-N	465.508	5.057	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1	843415	WPFNXTBJPWGTAN-RGVLZGJSSA-N	480.933	5.327	10	40	JKCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)SC1=S	1805135	UUHJUAHCLSCPCP-ZPWPBLDLSA-N	496.009	5.946	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccc(Cl)cc1	2306920	IJCRZORITORAKG-FYJGNVAPSA-N	490.346	6.503	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	8821467	HHSJUBKGZFYPCK-PXLXIMEGSA-N	498.467	7.458	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	9076150	PUWHSWLGZDUAMZ-RNHFSVANSA-N	470.481	5.427	10	40	JKCB	
CCCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1OC	9233199	RXLRBEMMUSEWOM-UHFFFAOYSA-N	472.566	5.232	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c(C)n1-c1ccc(Cl)cc1	9234384	AMWRDTXBKUFBEL-BUVRLJJBSA-N	475.038	7.307	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1ccc(Cl)cc1	9311270	GGRVEGDWKMOXDS-NBVRZTHBSA-N	492.789	8.378	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(SCc3ccccc3)=NN12	9460881	NAOMUTGIALXJCJ-QDLOHUEYSA-N	488.550	5.155	10	40	JKCB	
CCn1c(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)nnc1-c1ccccc1OC	9765042	HXKZCDCHSZMXGW-UHFFFAOYSA-N	464.566	5.495	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)o2)cc1	13809806	CEGQILCMDIPCAN-QNGOZBTKSA-N	492.915	5.428	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OCc2cccc3ccccc23)S1	13895785	IZDNXJGQZBELEH-MTJSOVHGSA-N	481.371	5.288	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C(F)(F)F)o2)c([N+](=O)[O-])c1	33314384	BPJXIZFDTWJFME-GZTJUZNOSA-N	457.364	5.212	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OC	33430147	BEFOBVPINSRVJA-SNFPTOCBSA-N	485.671	6.278	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2ccccc2Cl)c1	33732102	ZKKVRRQODHDTOM-BKUYFWCQSA-N	455.366	6.655	10	40	JKCB	
CCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccc2nc3c([s+]c2c1)c(O)c(O)c1ccccc13	68601157	AAKPDQOWMJMFEB-UHFFFAOYSA-O	493.586	5.568	10	40	JKCB	
CN(C)c1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1[N+](=O)[O-]	95949649	LJQJVQHPNDOACB-UDWIEESQSA-N	481.430	5.407	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F	103919303	WKTWMLNWGVSZKH-UYRXBGFRSA-N	460.481	6.084	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)cc1	107749730	LZJQRYSENKJQTN-UYRXBGFRSA-N	481.371	5.103	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C(=O)NC1=S	208512595	MHKBODHVDWZCIN-RCCKNPSSSA-N	459.615	5.102	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1	222756172	CEZDMUYJRQTJSA-UHFFFAOYSA-N	493.673	5.168	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222968184	IBKQLBITKLMILS-RRPNLBNLSA-N	475.706	6.108	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(F)(F)F	223095446	WRWVQIPQTKFJNU-LOSJGSFVSA-N	498.618	6.813	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223465219	ALPHJRMNCGAKHE-BDYUSTAISA-N	467.642	5.674	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)cc1	224385187	BYHZVBDEDZXVET-VSGBNLITSA-N	482.653	6.490	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cc(Cl)ccc1O	225010580	SGTCFJBNZUSVSH-BJKOFHAPSA-N	467.038	5.763	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccc(C(=O)O)cc1	408633283	JQPBZBIQYJJCNB-NDENLUEZSA-N	494.960	5.449	10	40	JKCB	
Cc1cc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c(C)n1-c1ccc2c(c1)OCO2	408633850	MMACYTZTPMCANJ-UFFVCSGVSA-N	495.944	5.744	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)S2)cc1	408775105	OCPXRQWJLJCPLF-ARLGEPFESA-N	461.587	5.263	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1	408787121	RTKDFRWMOAJKRS-LDADJPATSA-N	451.309	6.681	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)C1=O	408871268	ZACZMHXVWXQZJO-USHMODERSA-N	488.587	6.276	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(Cc2ccccc2F)ccc2ccccc12	408883095	QNNWNNQSCLACIG-LFVJCYFKSA-N	484.914	5.890	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409021518	LMQKTEWCLLWJOV-ITYLOYPMSA-N	469.537	5.542	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2Cl)C1=O	409144301	XWHQDZDSMBPFBH-UDWIEESQSA-N	468.987	5.356	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)NC2=S)c1	409236687	GGRZCIWJXJGHES-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1	2437290	IJURGQQSXXSGJC-RCCKNPSSSA-N	475.536	5.287	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1	3185031	XSUWFLJKKKZVKW-UHFFFAOYSA-N	485.414	5.212	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	9113188	OOCSSCLCWRKGQP-MOSHPQCFSA-N	478.035	5.644	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	9282653	VAPXYTICAKOESX-SPIQPGOCSA-N	495.652	6.584	10	40	JKCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)c1	9282797	BQVYHRYJEKJIQG-OILBOLJZSA-N	499.596	5.087	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	9310292	JPDWCTSMBYGAKV-LDADJPATSA-N	477.554	7.164	10	40	JKCB	
OC1=N[C@@H](c2cc(Br)cc(Br)c2O)Nc2scc(-c3ccccc3)c21	15947866	OEAUWZQQDFOQEX-MRXNPFEDSA-N	480.181	6.075	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)O)c2C(=O)OC)C1	20573129	PMEJTYIMDWFGBO-NXHRZFHOSA-N	461.624	5.462	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c1C	59198167	XAQWLMLOBMOBCQ-DEDYPNTBSA-N	478.346	5.672	10	40	JKCB	
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1	59249686	HOJIJYUQZMMHET-JVWAILMASA-N	491.591	5.612	10	40	JKCB	
COc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCN(c3ccccc3OC)CC2)c1O	95350616	BBTVPRYWEFKHOF-UHFFFAOYSA-N	497.595	5.137	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c1O	102454115	MSVQRQDUIPRIMZ-MRDQGFSESA-N	452.620	5.894	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc2[C@H](C)CC1(C)C	208308591	FAESPULWIFWBAS-RVZJCZPVSA-N	496.405	5.228	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl	223100780	FEHQBVHDZUMQEG-LOSJGSFVSA-N	499.511	7.101	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223121812	DPSHEDUPZXMQLF-CLJLJLNGSA-N	488.657	5.581	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223351225	DUNJZTHMJVAEKL-DQEYMECFSA-N	477.033	6.217	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc21	223483278	NIOIDVAYLJCJQT-HYARGMPZSA-N	459.615	5.237	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)C(=O)NC2=S)cc1	223515989	UUQWRSQURXIDTB-BUVRLJJBSA-N	487.669	5.799	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3)c2C)cc1	223757547	OUQWUCKUPYHTBW-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223865046	QRKXKLAUDGBVFM-XCZPVHLTSA-N	482.653	6.243	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	224337122	XNKWSDBLWXKMLZ-KAYWLYCHSA-N	468.626	5.934	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)c(OC)c1	224798551	IYXKURUIJGAGTP-FTJBHMTQSA-N	485.613	5.078	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1C(=O)O	225017207	KSLDVIVUVHUKOG-DNQXCXABSA-N	460.603	5.102	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)cc1	260910046	BUIRQDMIMYGZCK-DNRSQYFGSA-N	460.647	5.203	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1	408776867	RLQXEIDZNZJFEE-OEAKJJBVSA-N	460.917	5.202	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)c1C	408797036	FMIVCKWKXDYZSQ-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2Cl)cc1	408812511	NAFOKJBVBSCFDU-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3C(=O)OC)C2=O)cc1	408986299	POSYWXOHRNIFSP-CAPFRKAQSA-N	459.929	5.997	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(c2ccccc2)=NN1c1ccccc1	409088103	FKVDQTSFNDLPFS-ZXVVBBHZSA-N	475.504	6.008	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br	409132902	KVSLKVLWNCADFW-SWEABUAFSA-N	487.419	5.075	10	40	JKCB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O	409207294	RJPJJSUSPJRPEE-DHRITJCHSA-N	492.710	6.509	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)c1	409239623	HSJOJLJGLZXQMN-CIAFOILYSA-N	497.542	5.561	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S	409341378	AHZXPIZYCJWWBZ-PDGQHHTCSA-N	478.433	5.648	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Br	409342691	GBXYOKSOTFYWCK-UNOMPAQXSA-N	462.434	6.261	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409346018	MQQLULHKEKOTNF-YBFXNURJSA-N	483.502	5.336	10	40	JKCB	
CCCOC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl	8429957	VBSOTPPRBXPGGA-PDGQHHTCSA-N	476.758	5.388	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccccc3)C(C)(C)C)C2=O)c1	8857601	SROQBIZRPFWKKS-XLNRJJMWSA-N	482.671	5.504	10	40	JKCB	
CCN(CC)c1ccc(NC=C2C(=O)N(c3ccccc3C)C(=S)N(c3ccccc3C)C2=O)cc1	9008364	PFJAORDKYHSOTI-UHFFFAOYSA-N	498.652	5.810	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)C(=O)N=C2S1	9193092	WZCVSCQKCNDMJE-BEBMFCDBSA-N	460.390	5.820	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1N1CCCC1	9233571	TYSXPOUJQXGPIH-DEDYPNTBSA-N	457.393	5.594	10	40	JKCB	
O=C(c1ccccc1F)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9233892	BDTCVXJRLRWAQT-SSBOKUKZSA-N	499.541	6.142	10	40	JKCB	
CCc1ccc(/C=C2\C(=O)N(c3nc4ccccc4s3)N=C2CSc2ccc(Cl)cc2)cc1	9553870	BXWYKOGOUYHHMO-QNGOZBTKSA-N	490.053	7.091	10	40	JKCB	
CCC(=O)N(c1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)s1)C1CC1	9672473	SWGJECBEGHPIKA-UHFFFAOYSA-N	472.611	5.274	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	15012543	PGTBUAQDEGUHAG-FBHDLOMBSA-N	456.329	5.160	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1cccc([N+](=O)[O-])c1	16450099	FYHVKHHVRVXFDH-UNOMPAQXSA-N	477.860	5.334	10	40	JKCB	
O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35848332	CCWBFFAKEAZBOD-ULNSLHSMSA-N	499.541	6.142	10	40	JKCB	
Cc1ccccc1OCC1=NN2C(=N)/C(=C/c3cccn3-c3ccccc3Cl)C(=O)N=C2S1	41108308	LHPFVRZSJJORSM-DAEVNMARSA-N	475.961	5.137	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	58847088	AZNQYWOGKGSTHS-YZUZCNPQSA-N	454.954	6.106	10	40	JKCB	
O=C1/C(=C\NC2CCCCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	101380221	SSQZACHIYYETJB-RGEXLXHISA-N	483.062	6.251	10	40	JKCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1	102786276	MNBSQJFMUFSHGX-JLPGSUDCSA-N	474.586	5.131	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1cccc(F)c1	208652343	OKEFAQFOJBRNOF-NHDPSOOVSA-N	473.953	6.603	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(OC)cc3)c2C)cc1	223758341	JPIYYVKMERCAMN-VSGBNLITSA-N	482.653	6.237	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C	224564855	BPBMZFZMYOFJHD-IZZNHLLZSA-N	454.599	5.675	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2F)c1C	224566317	ZBRYBSUKIHHTCI-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(Br)c4)c3C)N21	260786464	XFKAVDKAGQUTAL-YSZBQJHXSA-N	481.463	6.231	10	40	JKCB	
C[C@@H]1Cc2ccccc2N1C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735136	JXSVGVVSABLJGS-GOSISDBHSA-N	470.601	7.237	10	40	JKCB	
Cc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)n1-c1ccc(F)cc1	408807217	KQRYHQMOXPRHOO-IKEWTAEESA-N	488.652	7.287	10	40	JKCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O	409012337	QPGUYTGQCUYSEH-STPJHCLOSA-N	478.589	6.647	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)SC2=S)cc1	409338582	MMXJOVKJBLWOEI-HZHRSRAPSA-N	491.594	5.646	10	40	JKCB	
CC1(C)CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc4[nH]c(=O)[nH]c4c3)c2C1	974473	GEBJEHHGWVQINB-UHFFFAOYSA-N	450.336	5.232	10	40	JKCB	
CCCCOc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1	2122320	KPGQWLVMLXFROH-UHFFFAOYSA-N	469.581	6.536	10	40	JKCB	biogenic
CC(C)Oc1ccc(/C=C2/SC(N3CCN(c4cccc5ccccc45)CC3)=NC2=O)cc1	2311179	PWEODGKKOLJCQH-XIEYBQDHSA-N	457.599	5.420	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCCCC3)=NC2=O)c1	2322995	CFBOAWKQFZJJAL-MOHJPFBDSA-N	472.614	5.784	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1	3044058	JGLRDJZKRWPPLC-CPNJWEJPSA-N	460.397	5.401	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C2(c3ccccc3F)CCCC2)c(C)n1-c1ccc(OC(F)F)cc1	3365840	NEHQLXBSBBTAQH-UHFFFAOYSA-N	485.502	6.073	10	40	JKCB	
CCCCOC(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820434	NWJFHXUBHURKAS-VQUKJFRASA-N	494.638	5.430	10	40	JKCB	
COc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl	12285396	OSCHXZZUSZFKLY-IDUWFGFVSA-N	485.776	5.341	10	40	JKCB	
O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)c1	12464134	PUSMKLCFMSLZFK-ZDLGFXPLSA-N	476.362	6.357	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[C@H]3C=CC[C@H]32)cc1	14480417	VGHIZILQMZPQMJ-CLCZQPDDSA-N	476.598	5.721	10	40	JKCB	
Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O	26786856	LBCXMCNHXLSMBM-UHFFFAOYSA-N	480.007	5.111	10	40	JKCB	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1	32594591	QJGQHPFJTSBXRX-BPTDDQHESA-N	482.609	5.583	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4OC)cc3)C(=O)N=C2S1	33709775	NVDMWCPGJDKVBH-HDEFISEGSA-N	492.601	5.208	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cc3[C@H]3C=CC[C@H]32)cc1	58850003	LJKXUDWNFKMPSH-PPJWLVRDSA-N	491.569	5.621	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccccc3F)C2=O)cc1	83318126	UQYQWOSSQYZHSR-DEDYPNTBSA-N	464.880	5.873	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)cc21	208442860	BVGRRXOSNPIHDE-XKZIYDEJSA-N	461.587	5.302	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223099099	HRNKWIWUSHILRH-CLJLJLNGSA-N	460.647	5.803	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1ccc(Cl)cc1Cl	223271750	WGVJBIWWNZKCEJ-GOTSBHOMSA-N	488.488	5.330	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1Cl	223857678	XUNUQLSAMWVBGM-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224305187	UIZBWXGFJGNDNA-URLMMPGGSA-N	480.681	6.900	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1	224435365	CAKOXMYBTZNNHZ-RRPNLBNLSA-N	485.632	5.871	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1	225031414	BLQRAWBVIYZFKU-DQEYMECFSA-N	474.630	5.191	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(C(C)C)C3=O)c2)cc1Cl	408577189	RTUFDWPRJOIENA-GRSHGNNSSA-N	461.008	5.276	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)O)n[nH]1	408631216	GHBOXTNQZSHWKB-UDWIEESQSA-N	470.982	5.260	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(/N=N/c4cccc(Cl)c4)ccc3O)SC2=S)cc1	408728233	XPUOWXOVYJPBTF-NEDRFQDPSA-N	481.986	6.875	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1c(C)nn(-c2cccc3ccccc23)c1C	408757670	OLZLHDIKCCMHJE-BUVRLJJBSA-N	485.385	6.211	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc4ccccc4c3)C2=O)cc1C	408848521	QVYJPLMJYNVLDB-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1	408899971	QTPPBYJPBGKFGX-BWAHOGKJSA-N	470.525	5.111	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)NC1=S	409008223	WTCKQQXWARNXSR-MOSHPQCFSA-N	467.388	5.259	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409019185	ZDQFAEJLYXJIKQ-HAHDFKILSA-N	473.956	6.105	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4\SC(=O)N(C(C)C)C4=O)c3C)cc2)cc1	409137567	YGIPZKLWEWBHPA-IWIPYMOSSA-N	462.571	6.340	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21	409142728	FSHUMMNFTZMZPG-XIEYBQDHSA-N	493.563	5.081	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1	409252548	SPLKXCUVZNZXAR-XQNSMLJCSA-N	458.539	5.211	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)ccc1OCc1ccccc1	4209037	MFWJJJXAMGRIEQ-HYARGMPZSA-N	456.498	5.398	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	9304436	KLUMZDIXYPBDAQ-ODARQAABSA-N	497.580	5.288	10	40	JKCB	
O=C1/C(=C\c2ccco2)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21	9444402	PHXFDTRIOJIZBU-DEDYPNTBSA-N	499.038	6.354	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)SC2=S)c1	9849466	OHTFUJXSBKEZIX-MYYYXRDXSA-N	454.620	6.712	10	40	JKCB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c1	13778933	JFXOVSJZZCMKNC-ZHZULCJRSA-N	477.611	5.247	10	40	JKCB	
O=C(Oc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1	14165822	UWYLVCMDQQZFDW-DPLHUUCSSA-N	493.344	6.337	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(C(=O)O)c3)C2=O)cc1	16215840	IQQJOLFDMPBRTC-SFQUDFHCSA-N	466.320	6.172	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN(CC)Cc4ccccc4)c(O)ccc3c2=O)cc1	19793057	KDHNBSFVRHNXBT-UHFFFAOYSA-N	497.513	6.894	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1	20215663	MYFBDVCGONLPCJ-NVQSTNCTSA-N	463.537	6.875	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SC4CCCCC4)o3)C2=O)cc1Cl	20238592	URZLODAZXNREBP-VBKFSLOCSA-N	460.939	5.873	10	40	JKCB	
CC[C@H](C)c1ccc(OCCCOc2c(/C=C3\SC(=S)N(CC)C3=O)cccc2OC)cc1	33430449	OICJCZRPDLFEAC-ZVTCDHROSA-N	485.671	6.278	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	40567467	OSDUXXDMUOHWCA-CIKBWMHTSA-N	488.439	5.661	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)SC2=S)cc1	96480350	DQADDYFAXIYNLX-LFVJCYFKSA-N	477.607	6.079	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1Br	100525464	UPDUOTYLLMICST-DUPNKOKHSA-N	485.323	5.356	10	40	JKCB	
O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3cccc4ccccc34)c(S(=O)(=O)O)c2)cc1	104174599	PAILURZOPJKWEW-RUFRKCMOSA-N	496.526	6.164	10	40	JKCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NC(=O)Nc1ccc(Br)c2ccccc12	105984421	AOUVSMRDZKYIOG-LDADJPATSA-N	467.298	5.170	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223821506	SSBDDFCWRCCKPV-LMSSTIIKSA-N	496.680	6.682	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1	224285665	FQNKPEGUBMTCQI-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1NC(=O)C(C)C	225189338	VGUAZHADLYAHQR-GOSISDBHSA-N	475.680	5.033	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc(Cl)cc1	408775859	VPTIFNJOOBZZSX-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)S2)cc1	408781064	QXRINLOLUGZMEW-PNZYDNNZSA-N	496.474	6.327	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC	408897261	IPMVUHQKBMGSSE-VZWMTCDZSA-N	477.344	5.236	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(F)cc1	408901257	CRIPYVXKFNHALZ-KGENOOAVSA-N	494.569	5.258	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(Br)c1	409105235	KBILUTBWYMTMGX-KEBDBYFISA-N	470.754	5.607	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1Cc1cccnc1	409142731	BNRHDPNIEAHSLR-RUZDIDTESA-N	470.619	5.785	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1C	409145675	JBHGACMOLUWCQH-OEAKJJBVSA-N	457.599	5.159	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])cc1C	409328867	BRBCVGYRLASAHX-RGVLZGJSSA-N	481.511	5.786	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)OC	409331852	OVPDWRMMZBYQKT-WOJGMQOQSA-N	477.991	5.005	10	40	JKCB	
C[C@H]1CC(=O)c2cc(-c3ccc(Br)cc3)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C1	2512805	IVERSTLFIWWDDQ-GFCCVEGCSA-N	459.727	6.233	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3CCOc3ccccc3C)C2=O)cc1Cl	2594660	ARCZWJFQCAGQJX-ZHZULCJRSA-N	463.921	5.344	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)OC(=O)c2ccc(Br)o2)c(C)n1-c1ccc(OC(F)F)cc1	3416579	AKFGYXSTRPYHSF-ZDUSSCGKSA-N	482.277	5.479	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)c(C)c1	8438971	MIXIODODFKOUQU-UHFFFAOYSA-N	492.647	6.724	10	40	JKCB	
CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	8819747	DFBJZUOCDKIAOT-XLNRJJMWSA-N	468.644	5.794	10	40	JKCB	
COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccc(C)cc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	9233847	DUVLSDLWXPXHSH-KCHLEUMXSA-N	493.559	5.035	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	9635499	RXERFXOPCZIRSS-UHFFFAOYSA-N	472.570	5.256	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	13361795	HLWMVSWXILODEG-CLCZQPDDSA-N	488.609	5.717	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@H]2C3=C(C)C)sc2c1CC[C@@H](C(C)(C)C)C2	35898106	ZQEXFWGGECWIDK-WVEMUNHJSA-N	487.662	5.708	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	97990661	MMMLRVFPRRAVOJ-OEAKJJBVSA-N	475.526	5.573	10	40	JKCB	
CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1OCC	113837686	KTPKWVCIWIHFPW-YBFXNURJSA-N	477.991	5.086	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(C(F)(F)F)c1	222587750	ZSKQKALSLKSRMC-UZQPLGKSSA-N	456.537	6.097	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222878249	OMJIKKCSSDTWNA-UIOOFZCWSA-N	461.679	5.718	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223608032	UBSOJSSEIWOCTC-KWJZBXMYSA-N	459.590	5.470	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)cc2)c1C	223758212	YKWFCQABQNKHQC-WUFINQPMSA-N	482.653	6.237	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224017955	DZELUGVIEUGTIB-VSGBNLITSA-N	496.636	6.012	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224405938	RXFAHAHQELVFNF-ZEQRLZLVSA-N	457.578	5.509	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2OC)cc1	224586705	ZPWDRSLPFWUGNZ-CLJLJLNGSA-N	470.598	5.375	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(Cl)cc1	224603515	NTTPWHCAEVNNRD-LOSJGSFVSA-N	475.017	6.025	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(=O)O)c1	225017474	JDAQVMFUMAFCNT-ZEQRLZLVSA-N	460.603	5.102	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)cc1	225358650	INJDACGJZGEBMR-IZLXSDGUSA-N	498.652	6.154	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1Cl	408538064	ITQWVBDWYFMEPN-LDADJPATSA-N	491.371	5.628	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)c1	408800296	LRIQSNKYXAQVPP-HYARGMPZSA-N	460.917	5.202	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409014850	LJUALYJGVXJKDE-GIJQJNRQSA-N	488.371	5.371	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1	409045372	IOKLLDCHSRMDHV-MDWZMJQESA-N	462.330	5.146	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3Br)o2)C(=O)NC1=S	409245690	XOXWHFXXARWXHY-QGOAFFKASA-N	495.398	5.411	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1	409251845	QLYSNBCOKANBEY-PDGQHHTCSA-N	485.392	6.208	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409339987	OBFVQKQAVATADD-YVLHZVERSA-N	479.377	5.552	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1	1786646	HRQRLTXHUVEBBA-KQWNVCNZSA-N	488.659	6.416	10	40	JKCB	biogenic
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C)c(C)c4)C3=O)o2)cc1	2071056	INEXXPKNGAJEHB-LGUFXXKBSA-N	489.571	7.211	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)c(C)n1-c1ccccc1	3295560	KHTPKCRWJNKBTL-UHFFFAOYSA-N	490.698	6.818	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(=O)O)cc2)N3)cc1	4003784	MWEYHDKJOXNCAC-PPJWLVRDSA-N	490.581	5.411	10	40	JKCB	
Clc1ccc(-c2c(Cl)sc(/N=N/c3c(Cl)cncc3Cl)c2Nc2ccccc2)cc1	8432977	WWBUTWLHNYHXOZ-ZQHSETAFSA-N	494.234	9.583	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1	9046358	JSCAQLWPWBMXEL-SGWCAAJKSA-N	482.580	5.654	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1Cl	9188615	IGDCPWORPXMOIO-XKZIYDEJSA-N	452.000	6.633	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccccc1F	9264559	PSZUBXHWSYXDHY-OEAKJJBVSA-N	459.908	5.888	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1Cl	9290977	YIUQHQBSOAEVPR-CHZFGFJDSA-N	488.016	6.032	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1OC(C)=O	9310716	CRWFLODRRVEJAU-CAOOACKPSA-N	484.382	5.342	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1	9347777	HGOUWMFUAQVPIB-IGCBCYMVSA-N	488.635	6.183	10	40	JKCB	
O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12	17015998	BAIWWSNNXMOVPH-XSFVSMFZSA-N	486.325	5.468	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	33579379	MYGXGUHYLDGSJO-SNCYIGMASA-N	469.614	6.447	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C(F)(F)F)c4)C(=S)N=C3O)c2C)cc1	33888946	MZYXLSOYCLTUFK-CIAFOILYSA-N	483.515	6.093	10	40	JKCB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	35540633	BBSXKAWCXXOBBW-CKJXQJPGSA-N	482.960	5.276	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)cc2)cc1	41083648	SZILZNSIMXBJFU-JYNXAHNISA-N	461.587	5.825	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)n1-c1ccccc1	223916560	BGPAFZYWLLCXJG-UIOOFZCWSA-N	453.615	5.424	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	224200576	NRUGDCWPRVVMSI-XZWHSSHBSA-N	488.660	7.128	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224308044	WHHUMSQKXLGHMB-KAYWLYCHSA-N	467.642	5.987	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	224570796	VYFCNIYGKMETGW-WUFINQPMSA-N	482.653	6.292	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cc(Cl)ccc1O	224597019	JGYXPZSWQREFAB-RPBOFIJWSA-N	491.016	5.731	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1F	225043680	QHWCQOAOLYNRHQ-WUFINQPMSA-N	499.659	6.103	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2cccc(Br)c2)cc1	408759870	NETADSHZXIZEMR-HYARGMPZSA-N	463.331	5.301	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\S[C@@H](Nc4ccc(CC)cc4)NC3=O)c2C)cc1	408783818	NKDSZNOKFPHOEV-OXWVMCNISA-N	459.659	6.599	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C2=O)cc1C	408799697	HOJMSWLKOQYKFX-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c2[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Br)cc2)N1	408863797	UKOUMFCESZAQFZ-KCYKTTMJSA-N	456.339	6.051	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3Cc3ccccc3F)C2=O)c1	408870725	XDQWFXWITMPPFE-KGENOOAVSA-N	493.332	5.154	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409021203	YZKGUYGQDPMMIS-CFRMEGHHSA-N	476.960	5.633	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCC	409327229	IIZZXTVRSTVBJS-WOJGMQOQSA-N	496.423	6.182	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)c1	409347838	NBLBLMOPJVPUOM-YBFXNURJSA-N	478.447	7.381	10	40	JKCB	
CCOc1ccc(C2=C(/C=C3/SC(=S)NC3=O)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1	2269811	PHAYKRVRSAYQGZ-BCGDRIGESA-N	489.593	6.192	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccccc2)N1c1ccccc1	2315139	QPSAUERDHXFMQJ-NIJSQZSCSA-N	488.974	6.812	10	40	JKCB	
Cc1cc(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2	2635125	MTJLZHHVPFTSEY-UHFFFAOYSA-N	485.380	6.122	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCCCCCCCCC2	2754669	FDJLMPBQEBOIHT-QZTJIDSGSA-N	461.624	5.750	10	40	JKCB	
Cc1cc(-c2cc(NC(=O)c3ccccc3)n(-c3ccccc3)n2)c(C)n1-c1ccccc1F	3197536	PGCCILDXPZAXHG-UHFFFAOYSA-N	450.517	6.338	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C)C3)c(C)n1-c1ccccc1	3337024	SQUZODAZJMRIPI-GOSISDBHSA-N	452.554	5.807	10	40	JKCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc12	4289899	QNWBCUHFOOGDQQ-INIZCTEOSA-N	465.899	6.602	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)cc1	8439083	CIOFDASYRHJRTN-UHFFFAOYSA-N	494.619	6.116	10	40	JKCB	
C/C(Nc1ccc(C)cc1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(C)cc1	8695553	TWYVGPGRGLSGCL-NCELDCMTSA-N	484.650	6.794	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	8821376	RODATBKOAQELLW-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCOCCOc3ccccc3)cc2)SC(=S)N1c1ccccc1	9137155	LRWYLUHDDVGFDZ-CLCOLTQESA-N	477.607	5.567	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9209916	RSPFGXULXYEQBE-YTCPBCGMSA-N	499.541	6.142	10	40	JKCB	
COc1ccc([C@H]2CC(c3cc(Cl)ccc3O)=NN2C(=O)/C=C/c2ccccc2)cc1OC	9281219	PCGVSLLNAIECKZ-MKGTUJQCSA-N	462.933	5.454	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9282667	NCQBUWVUKQGDCF-VAXYQBTPSA-N	466.010	5.947	10	40	JKCB	
COC(=O)c1ccc(NCN2C(=O)/C(=C\c3cccc(Cl)c3Cl)SC2=S)cc1	15133751	DRPUSAGYHZHMMJ-OQLLNIDSSA-N	453.372	5.051	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	20344749	HBKHFGIHJVSICG-UDWIEESQSA-N	498.377	5.667	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1)c1ccc(Cl)cc1	33347503	UJXRGNOANUISDO-NDENLUEZSA-N	486.401	6.618	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(CC)CC)SC4=NC3=O)c2C)cc1	33703116	RYXPRYZVENJJBD-TUKHXMGSSA-N	463.607	5.548	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	35226026	PLUJEVVKUOEJCA-UDYIERFUSA-N	484.368	5.661	10	40	JKCB	
O=C1C[C@@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cccc(Cl)c1	35623019	OQXSJOQECMUCBS-IBGZPJMESA-N	476.801	7.473	10	40	JKCB	
O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58847625	OFHRESYXCHRCMY-HOOSLVGPSA-N	471.409	6.621	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2	58849103	IZRRUOCNEQTONO-VKIDHGPPSA-N	476.598	5.721	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)ccc1N1CCCC1	59104436	MDROZJATRSKXFG-UHFFFAOYSA-N	467.594	5.344	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1	59861874	YBYIZXJAUARHKQ-WJDWOHSUSA-N	457.269	5.769	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(N(CC)CC)cc1	102649932	AAZRSLQVDVLBOU-NRUKRWIHSA-N	493.651	7.493	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1Cl	108991546	LOPRTNNGPFALCF-JAIQZWGSSA-N	494.465	6.531	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223538116	KDFXHUVQDNSBCF-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	223839095	AZOXQBARAFZEKF-IZZNHLLZSA-N	454.599	5.757	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224235466	JUPDEJIOVMSORI-IZZNHLLZSA-N	473.045	6.628	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224299979	GCHUEVXZEAPYGE-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	224567389	KYJUILKOGBTGQG-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)cc21	260914783	HDZAMWLOJPXLJU-LOSJGSFVSA-N	481.109	6.672	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)cc21	260922727	RHXMFSMOKOSONC-RPBOFIJWSA-N	491.060	6.249	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(C)C)c(Br)c2)SC1=S	408600720	FLYNYIZZEXLOFY-YBFXNURJSA-N	462.434	6.198	10	40	JKCB	
Clc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(Cl)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	408736249	NUGSDCUOUVZIGD-DPLHUUCSSA-N	456.800	8.052	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1	408738840	PBWPOKKMKDORAU-RELWKKBWSA-N	473.414	6.767	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1	408984568	JAVJZAHKRPUHCB-HAHDFKILSA-N	460.917	5.148	10	40	JKCB	
COc1ccc2ccc(OC)c(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2c1	409005496	DTMDXPVBEUOQME-UHFFFAOYSA-N	494.572	5.605	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	409049006	XWVWUCWSZYCOJE-KPKJPENVSA-N	496.775	5.800	10	40	JKCB	
O=C1[C@H](Cc2ccccc2OCc2ccccc2F)SC(=S)N1CCc1ccccc1	409143807	JGCFILWUOVTKRG-QHCPKHFHSA-N	451.588	5.419	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1	409239102	BWGAAFPKWKYDQD-LPYMAVHISA-N	497.542	5.507	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c(Br)cc1O	409326707	DQMSRVFVGZGYNX-RQZCQDPDSA-N	450.379	5.268	10	40	JKCB	
O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1ccc2c(c1)OCO2	409375777	PCMXWDXGEXYGNQ-XFQLMFQHSA-N	478.334	5.234	10	40	JKCB	
COCC(=O)N1CCCCCCCN(Cc2cccc(F)c2O)Cc2cc(-c3ccncc3)ccc21	643563780	UUEATWOAIRZRKO-UHFFFAOYSA-N	491.607	5.539	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2SC2CCCCC2)SC(=S)N1c1ccccc1Cl	2570697	XOTJXENTPYVVPF-MOSHPQCFSA-N	491.059	7.079	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)c1OC	4003807	AAUVXYKHBGERAS-DFIYOIEZSA-N	480.561	5.470	10	40	JKCB	
Cc1cccc(Cc2cnc(NC(=O)CN3C(=O)/C(=C/C=C/c4ccccc4)SC3=S)s2)c1	8820378	AJKYQINQHIBGRM-IEPMXLQJSA-N	491.663	5.438	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCc1ccc(C)cc1	9188465	JUKCSHHFZQZRSS-IWIPYMOSSA-N	461.608	6.297	10	40	JKCB	
Cc1c(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc2n1Cc1ccccc1	9274000	KXBZJNPDQFGXJE-QZQOTICOSA-N	481.599	6.927	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	9282657	OBCLWPHJIZJUAA-JOBZFMKUSA-N	489.604	6.223	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4OC)c3C)C(=O)N=C2S1	9290953	SBMYJGWUXHAXRL-GBEVANGZSA-N	463.607	5.611	10	40	JKCB	
COc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)cc1	12285231	WFDMCDKFXMTGCZ-BWAHOGKJSA-N	491.634	5.945	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13811039	COGKEXPRKIAYGR-BGFGNXAESA-N	473.001	6.360	10	40	JKCB	
O=C1Nc2ccccc2/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12	16050867	MQGBBLGNXJJVMS-SRZZPIQSSA-N	463.762	6.598	10	40	JKCB	
CCCCCCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c(O)cc1O	18158789	SSFXNYORPDVCLV-WCWDXBQESA-N	475.596	5.597	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(I)c2)SC1=S	33661984	CKDJZMNMCCGFHK-WQRHYEAKSA-N	495.407	5.400	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S	35040956	YHDDYWULLLLSNB-OBGWFSINSA-N	450.582	5.392	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Br)o2)SC1=S	98086563	GRBJQCDPUBSJIF-ATVHPVEESA-N	480.405	5.555	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	222970501	VRZJNRIQJBSIML-RPWUZVMVSA-N	453.055	6.224	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223104700	ZSFNOJJKLJPZGL-XCZPVHLTSA-N	472.702	6.665	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	223425411	NKUUEZTXGGBKCZ-FQLXRVMXSA-N	496.680	6.287	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(Cl)c3)C1=O)[C@H](C)CC(C)(C)N2C(C)C	223600858	LEHHBSLLLWUUJW-ORWNMUSCSA-N	496.076	5.980	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223894290	NRQHNHQMPBWQOA-WUFINQPMSA-N	481.669	6.041	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c(C)c1	224403951	VHKJLIPNCBXMSN-XTEPFMGCSA-N	484.644	6.731	10	40	JKCB	
CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	408603533	ROJSFIOHJJSWAQ-UDWIEESQSA-N	491.476	5.956	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1	408742869	QFSUGJXSRRJTNK-WOJGMQOQSA-N	457.740	7.207	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)cc1	408809464	HDYSQBKWXHLGFT-NLRVBDNBSA-N	492.531	5.484	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1c(-c2ccccc2)n(C)c2ccccc12	408843055	QCHMNDIERPRSEA-HMMYKYKNSA-N	469.928	6.003	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3OCC)C2=O)cc1Br	408985421	LWIIKOJTAMTKNE-LTGZKZEYSA-N	490.397	6.718	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1F	409100221	TXIWHCAARSCRLC-DJKKODMXSA-N	488.744	5.746	10	40	JKCB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O	409339566	WGAQBBRSIQKKGD-ZMOGYAJESA-N	461.652	6.569	10	40	JKCB	
Cc1cccc(COc2ccccc2/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	409346206	MYGSXCQCZXSXKI-XKZIYDEJSA-N	462.552	5.888	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)SC1=S	409376870	DQSWSEHMZLOQIF-NDENLUEZSA-N	474.434	6.947	10	40	JKCB	
COc1ccc2c3c(n(CC[C@@H](CCC(C)C)c4ccco4)c(=O)c2c1OC)-c1ccccc1C3=O	604406219	ZJBNXYTXWGPWDM-LJQANCHMSA-N	485.580	6.433	10	40	JKCB	biogenic
Cc1nn(-c2ccccc2)c(C)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	694230	CIJXDYXKKMKKOU-UHFFFAOYSA-N	478.577	5.237	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1OCc1ccc(F)cc1	8442815	VTLQXFLHFNGCDC-LPYMAVHISA-N	450.897	5.873	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCc1ccc(Cl)cc1	8821798	MFPVCUZUWQDXJA-XYGWBWBKSA-N	493.028	6.963	10	40	JKCB	
N=C1/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN12	8983884	AAHJJDFGNDJHFO-VLXLKOCRSA-N	485.588	6.028	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c1C	9266903	ZNQPKHXYEOYZEI-OAXZUEFOSA-N	471.561	5.518	10	40	JKCB	
CCN(CC)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1	9310424	ZIAOFOIHVJPAOE-HZHRSRAPSA-N	492.622	6.205	10	40	JKCB	
COc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O	9849537	VYXDUAMEQUTCIQ-UQQQWYQISA-N	491.634	6.176	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)NC12CC3CC(CC(C3)C1)C2	12032208	ROJQEKAKWKLDLM-RGVLZGJSSA-N	475.079	5.406	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(F)cc1	13150193	DMURBLOXEWMBPZ-XKZIYDEJSA-N	467.543	5.525	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCCOc2cc(C)cc(C)c2)SC1=S	13893469	AUOXUQIJOPPULH-STZFKDTASA-N	462.036	6.026	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1	16678646	PJJQAPDZESIRBQ-UHFFFAOYSA-N	450.589	5.529	10	40	JKCB	
Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)cc(Cl)c2O)c2ccccc12	16779686	NAFCXMRNANFYLD-UHFFFAOYSA-N	461.370	6.061	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1	34386933	HYCHGPVOFJRREH-UHHWSGGGSA-N	458.996	6.140	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1	35039204	LCKXIRYYCYSQOZ-OEAKJJBVSA-N	475.591	5.986	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	35074157	RCBSKFGSQDRGLD-DSNGMDLFSA-N	453.925	5.362	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(Nc4cc(C(=O)O)cc(C(=O)O)c4)=NC3=O)cc2)cc1	39869920	DNZPIFMVOCCTTJ-YVNNLAQVSA-N	488.521	5.053	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	41083479	OJJSAYMNDGKSJC-HZTCEOFUSA-N	477.537	5.443	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4CC)cc3[C@H]3C=CC[C@H]32)cc1	58846114	AWEPBKQWCFFCSZ-VYKTZEHYSA-N	474.626	6.275	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(Br)c1	58883792	BPVBSILGYIPELL-ZHZULCJRSA-N	456.336	5.115	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208469566	MLZFRPXXAFCROU-JMIUGGIZSA-N	456.373	5.718	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223413022	PKSSFXZKGNKKIQ-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224267033	YWKCVOCLVJICPT-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	224339294	MTOYMPZAUGKEMZ-PXJZQJOASA-N	480.681	6.845	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)c1	408805104	DSUNZNLNXSAWCN-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br	409042691	CFQLZCGPOTULGN-MHWRWJLKSA-N	478.184	5.807	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1C	409093782	BKCGZCJQMKZVGF-SFQUDFHCSA-N	454.313	5.067	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1C	409100859	XAAYMOFNWCAGMP-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccccc1Sc1ccccc1	409108335	WEEINQIIQAJFPC-SSZFMOIBSA-N	469.349	5.811	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1Cl	409341940	CLLKNBLIUAEWRT-VCHYOVAHSA-N	486.914	5.612	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)ccc1OCc1ccccc1	409348883	TVBIBKZCQWHZDB-ONUIUJJFSA-N	483.614	6.833	10	40	JKCB	
O=C(O)c1ccc(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccnc3)SC2=S)cc1	3329586	QIGITPYMIZSHBC-BKUYFWCQSA-N	484.562	5.038	10	40	JKCB	
Cc1cc(/N=N/c2ccc(C(=O)Nc3ccc4cc(S(=O)(=O)O)ccc4c3)cc2)c(N)cc1N	4523130	HQUUYQCHBDOWJD-ZQHSETAFSA-N	475.530	5.227	10	40	JKCB	
CCc1ccc(OCCCn2cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)c3ccccc32)cc1	9678938	RDQYCGDNCPVGDA-ZKNSXIRRSA-N	471.586	5.312	10	40	JKCB	
Cc1ccc(CN2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccs3)SC2=S)cc1	28467596	XXKNAQVILSTUGW-HYARGMPZSA-N	473.648	6.311	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(Cl)c(Cl)c3)N4)sc2c1	58851144	DQUHCNXTGNPLAQ-UZEJHQAJSA-N	463.433	8.405	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc2ccccc2c1	106757036	MDAZTWCXHABJQX-JLPGSUDCSA-N	473.598	5.296	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208224258	VHOIUIQAWIMUAJ-YSUUHWHMSA-N	499.474	6.716	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc21	208451316	JOSTUMRVOFBEOD-FYJGNVAPSA-N	459.615	5.075	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223543538	IFGOXECTLRIJNE-IAPPQJPRSA-N	481.669	5.928	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224018183	QNDSKLJJMJMUOW-IXCJQBJRSA-N	496.636	6.012	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224900517	XBYWDSIQKCDNQH-KAYWLYCHSA-N	486.616	6.122	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)c2C)c1	260919491	LRRBDBYXWLCSFZ-DNRSQYFGSA-N	460.647	5.257	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OCc1ccccc1	408784998	FBYJXLXDVCPMDK-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1	408800525	NNGUCTNWXJPOQF-UHFFFAOYSA-N	451.015	6.436	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)C1=O	408874797	AXFWAEGGQXOCCV-ITYLOYPMSA-N	490.559	5.956	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)C1=O	408878261	ZBPUZQIYOCZYNX-STZFKDTASA-N	462.908	5.299	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	408902414	NILKUTZNKKARIW-RGVLZGJSSA-N	459.423	6.807	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c1	408903281	WYGICYBBHVXZET-FYJGNVAPSA-N	483.014	5.940	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4Cl)c3)C2=O)cc1	408942200	YCNLEXJAHBEBCY-MTJSOVHGSA-N	481.335	5.547	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1	409149823	RROHDNOHSKZCAK-UYRXBGFRSA-N	461.008	5.374	10	40	JKCB	
O=C1/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])SC(=S)N1C1CCCCC1	409338319	HRWNTDSUBRFAKD-NDENLUEZSA-N	485.543	5.829	10	40	JKCB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1	2049305	UNFGMAJZZMOTTP-BKUYFWCQSA-N	499.038	7.114	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCc3ccccc3)C2=O)cc1	8895169	QTRLZRUHBFSYOD-KGENOOAVSA-N	491.341	5.003	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1c1ccc(Oc2ccccc2)cc1	9188829	QQJKHPXFWNMYHK-DIBXZPPDSA-N	495.625	7.464	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl	9233056	CZPFPPSFWJWLNE-BUVRLJJBSA-N	496.053	7.032	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9487172	RJDRRLWMJNDVLV-SDHSZQHLSA-N	498.922	5.271	10	40	JKCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c2C)cc1	9716421	GURGYGAQKMCQID-UHFFFAOYSA-N	459.575	5.066	10	40	JKCB	
O=C(Oc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1)c1cccs1	12376576	QGUIKMZEMKDKKR-NKFKGCMQSA-N	450.519	5.802	10	40	JKCB	
CN(C)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C2=C(N=3)c3ccccc3CC2)cc1	13644809	SCJYQZAFQRIIPF-CMISJSSVSA-N	498.051	5.038	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(Cl)c(Cl)c2)N3)c1	14165981	XLQJZQBDRJJKHP-RNHFSVANSA-N	485.436	6.929	10	40	JKCB	
O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	15231358	CJDRCHHKCAAQLJ-WPWMEQJKSA-N	492.062	8.279	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	16160756	PZUXYYMYFRFCRU-XYGWBWBKSA-N	489.019	5.757	10	40	JKCB	
O=C(CN1c2ccccc2Sc2ccccc21)SC1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1	17302232	HZMXFYSXUAORMF-FYJGNVAPSA-N	495.050	6.873	10	40	JKCB	
O=c1c(Oc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)oc2c(CN3CCCC3)c(O)ccc12	19791819	TYYUIGNDXOMNAB-UHFFFAOYSA-N	481.470	6.573	10	40	JKCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1	33155011	FDWQIBZBOVHOLL-XSFVSMFZSA-N	490.353	5.716	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4C)cc3[C@H]3C=CC[C@H]32)c1	58848026	XGXBXODGXWXRMB-VVZHRXSXSA-N	481.017	6.284	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2	58850118	HGAADGYCLQAZKV-QFWOEDSFSA-N	496.588	6.196	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	214331746	AUWRIFXDOPJZOK-CIAFOILYSA-N	450.491	5.168	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223821640	KHVFNRKEWNCAOW-WDYNHAJCSA-N	496.680	6.682	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223879787	SGSGLWJIEKBOPC-UIOOFZCWSA-N	498.608	5.158	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224207260	AVFHIEXTCQTIHV-YTMVLYRLSA-N	480.681	6.900	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)c2C)c1	224467607	DKRZACLZDJJUBM-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
CCN(CC)c1ccc([C@H]2CC(c3c(-c4ccccc4)c4ccc(C)cc4[nH]c3=O)=NN2C(C)=O)cc1	226780721	GXEKQBDXUDZFMP-MUUNZHRXSA-N	492.623	6.047	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1cccc(C(F)(F)F)c1	260788396	ZSKQKALSLKSRMC-KBJGYGKASA-N	456.537	6.097	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2)c(C)c1	408571800	CNZLYDFEYKBDCR-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408868285	NTNYHUVGBGIQKU-VXLYETTFSA-N	485.754	5.904	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408873346	UAGUFQYVKVRLRJ-WQRHYEAKSA-N	494.906	5.042	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	408875438	IVJHFDAOTWPBJA-XYGWBWBKSA-N	489.015	6.632	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(F)c2)C1=O	408894693	KNNPHPALWXFWDA-STZFKDTASA-N	478.907	5.287	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	408940244	UQVLWMXFSSSNAP-FYJGNVAPSA-N	467.308	5.239	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S	409034349	QJOLCWHEDLALDZ-GRSHGNNSSA-N	452.428	6.430	10	40	JKCB	
O=C1C(=Cc2cc(Cl)cc(Cl)c2O)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	409048232	RVWPPEKZJVNVCO-UHFFFAOYSA-N	453.281	5.282	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c3ccccc32)cc1	409142336	KVLPCGQVMPRTOW-TYGBLEFESA-N	492.666	5.799	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OC	409156723	UGPOVZVBUOVMKK-VFVRVIDISA-N	465.731	5.854	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)cc1Cl	409241277	SRHBXMKCXUOGKI-CIAFOILYSA-N	478.017	5.504	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)cc1Cl	409253313	TYEPNYIPXOJKNH-WOJGMQOQSA-N	467.953	5.026	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409346007	MIDVIIZDGILCEX-XKZIYDEJSA-N	496.541	5.727	10	40	JKCB	
O=C1c2ccccc2-c2onc3c(N4CCC5(CC4)OCCO5)cc(Nc4ccccc4)c1c23	2355696	ACTJGCFIYKZTHN-UHFFFAOYSA-N	453.498	5.126	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)c2)cc1	2700634	PLERMQVKSNXUAH-AMCKHAKVSA-N	475.591	5.601	10	40	JKCB	
CCOc1cccc(N2C(=O)c3cc(Br)ccc3N[C@@H]2c2c(O)ccc3ccccc23)c1	2744767	CNUDGYFPYFGMQY-VWLOTQADSA-N	489.369	6.478	10	40	JKCB	
Cc1cc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)n1-c1ccc(OC(F)(F)F)cc1	13075992	NNFZUBFGXUDGDS-JWTNVVGKSA-N	477.479	5.114	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1F	16292319	PIOJFAXDCNDSSR-OYKKKHCWSA-N	479.598	6.123	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)ccc1OCc1cccs1	17193947	DENDOQQAYRXEOG-ODLFYWEKSA-N	488.487	5.206	10	40	JKCB	
Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2Cc2ccccc2)cc1	44086391	NISDAACUMNIQOZ-UHFFFAOYSA-N	492.442	6.400	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C1CCCCC1	59109521	NLNYPBBIASQZEM-CIAFOILYSA-N	496.394	6.631	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2F)SC1=S	59418267	BPOAMNSTXBDZRW-WOJGMQOQSA-N	466.397	5.778	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c(C)c1	96505187	NBVYRPKXWHXNDU-KGENOOAVSA-N	453.673	7.010	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccc(Cl)cc1	113831830	RCMQTOPHCDAJMV-CIAFOILYSA-N	490.408	7.117	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(NC(C)=O)cc3)C2=O)cc1Br	207319289	MUDDVONRDDOHCG-XSFVSMFZSA-N	489.369	5.887	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(Cl)cc1	223345918	DSHUXWJJKHAACK-DNQXCXABSA-N	463.006	5.908	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1C	224266062	ZHBHCAFEZWOTIV-IZLXSDGUSA-N	466.654	6.592	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224875271	SXGIPVHSOGBCQI-DNQXCXABSA-N	490.032	5.729	10	40	JKCB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c(C)c1	408574840	MXRSHFSTGPKKGR-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)SC2=S)cc1C	408599515	IHTUFKZLLXDLJB-QRVIBDJDSA-N	484.017	7.081	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2Cl)cc1C	408809456	RPWHPMJHNUTHOX-XDHOZWIPSA-N	495.362	5.856	10	40	JKCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)cc2)c1C	408868057	NDVTYPXHJMYZQT-ITYLOYPMSA-N	470.569	5.018	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)ccc1Br	409074854	NFKHQHDLCKRSJD-WSDLNYQXSA-N	482.353	5.397	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])cc1C	409332089	PIPRWOPLXQXBBD-RGVLZGJSSA-N	470.959	6.531	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	409338812	BMTBCMSXFGVLFU-VCHYOVAHSA-N	480.405	5.271	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12	1913317	ZDNQJCIANNFAOS-UHFFFAOYSA-N	453.888	6.460	10	40	JKCB	
CCCCOc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1	2158759	OTKHPQOFEQXYIS-UHFFFAOYSA-N	455.554	6.228	10	40	JKCB	biogenic
Cc1nc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c2c3c(sc2n1)CCCC3	2679565	RPNYRPZBWHCIKI-UHFFFAOYSA-N	465.619	6.400	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	9310632	VLHMOQMJLUMZKG-DEDYPNTBSA-N	479.539	5.192	10	40	JKCB	
O=C1OC(c2ccc(Br)cc2)=C/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	16401693	WKYCHVFCCVSHPF-CPNJWEJPSA-N	478.298	5.918	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1F	16729172	YXGRCSHOAHDNMJ-MOSHPQCFSA-N	453.564	5.298	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1F	16729180	UAYWJYUWBOMSPY-BKUYFWCQSA-N	467.591	5.687	10	40	JKCB	
CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)SC1=S	16790622	IHRMSCCVJHGDQB-CPNJWEJPSA-N	461.992	5.569	10	40	JKCB	
Cc1ccc(OCCn2cccc2/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1	30702502	OYYCAWBRLYFHEP-CSQJVAFZSA-N	461.591	5.075	10	40	JKCB	
CCc1ccc(N(C(=O)[n+]2sc(C)nc2C)[C@@H](C(=O)NC(C)(C)CC)c2ccccc2)cc1	35315052	KGEZYBVTVZVTFG-HSZRJFAPSA-O	465.643	5.131	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc([N+](=O)[O-])cc2)N3)c1	58845871	AZXSHKPPOKUGLP-SGIRGMQISA-N	461.543	5.531	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4C)cc3[C@H]3C=CC[C@H]32)cc1	58847924	XOQNDHTZZKQKRX-OREGWCPLSA-N	495.044	6.674	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(Oc2ccccc2)cc1	103919158	YHNAWHZRSDCQGH-BWAHOGKJSA-N	468.582	6.977	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Br	222920678	YBUHEEBAYPFFSS-GOTSBHOMSA-N	483.479	5.880	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(F)c1	223383969	PIDUDOFEDNDTSV-UIOOFZCWSA-N	456.590	5.801	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)C(=O)NC2=S)c1	223559860	VVSWNHJGHKODLX-IXOWOOARSA-N	475.658	5.635	10	40	JKCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)n1-c1ccccc1	223955152	ZVWLOKNZSFCNRW-VSGBNLITSA-N	495.652	5.194	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224341951	ZUKJCVNSINQLAO-SXOMAYOGSA-N	467.642	5.932	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C	225503470	XQSRMPPAGZXBHV-NSOVKSMOSA-N	495.652	5.409	10	40	JKCB	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	250644853	JGMYITYWTZDDBT-SLSDLSHTSA-N	479.361	6.697	10	40	JKCB	
Cc1ccc(C2=C/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)O2)cc1	408740166	ADCIUNCAGFQJCL-UDWIEESQSA-N	465.318	6.457	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccc(OC)cc2)cc1	408759059	XDPVUVOFUNBONI-OEAKJJBVSA-N	467.352	6.235	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)C(=O)NC2=S)cc1C	408820518	YFOVZJMIRIBALN-HYARGMPZSA-N	476.985	5.367	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F	408866895	HILZRCSMWMQUSU-NDENLUEZSA-N	494.975	5.300	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2Br)cc1	408993095	CJHBXAREEMHDOO-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409014972	RAEHYJCCFZRKIU-MYYYXRDXSA-N	474.988	6.323	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C(=O)NC2=S)c(C)c1	409096674	KVLHSDQOQWYRJG-KGENOOAVSA-N	479.026	5.939	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)NC2=S)c(C)c1	409137807	WPNWJNFEHXGPBB-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12	409198370	DZKVKHAYJKSNHG-PGMHBOJBSA-N	491.975	5.168	10	40	JKCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S	409373473	WLHGWUIKLYRMRK-WQRHYEAKSA-N	490.393	6.191	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1	1084687	KJZUZPMSGWEWBJ-AQTBWJFISA-N	476.451	5.009	10	40	JKCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cc(Cl)c(Cl)cc1Cl	1262732	JMONRAAQSUXBLQ-YIXHJXPBSA-N	463.820	5.548	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1OCc1ccccc1C	1871069	TUQCSDBSIVPATI-QRVIBDJDSA-N	491.590	5.687	10	40	JKCB	
CC(=O)[C@@H](CC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)Nc1ccc(Cl)cc1	2639008	OXPVOAJOQWSHFG-JOCHJYFZSA-N	457.357	5.818	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	2852115	CGGBQZHZLGWMEU-YVLHZVERSA-N	454.400	5.802	10	40	JKCB	
Cc1cc(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(OC(F)F)cc1	3429239	QCASZZICKFHELM-AWEZNQCLSA-N	454.300	6.653	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c1ccc1c(-c3nc4ccccc4nc3-c3ccccc3)n[nH]c21	8694925	KYEMKXBYYMMGNK-UHFFFAOYSA-N	452.473	5.616	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9273988	KMICXPZZWRMDHK-VRAKWYDISA-N	491.979	5.749	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	9310954	WNUUYMPQYIXGBN-YBEGLDIGSA-N	461.688	5.573	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(Cl)cc4Cl)C3=O)n2)cc1	12275654	LEFFRWWFPJOQDW-GEJZQBIKSA-N	460.346	6.001	10	40	JKCB	
CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nc2ccc(Br)cc2c1=O	13141934	VIHCBIFVAQPCGA-UHFFFAOYSA-N	496.430	5.561	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCCOc4cc(C)ccc4C)c4ccccc34)C(=O)N=C2S1	13805959	NRBOFVKZQIRMGF-JHKOBTARSA-N	470.598	5.894	10	40	JKCB	
O=C(c1ccccc1F)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	16044812	JYMJUVCKRSRVPT-UHFFFAOYSA-N	469.277	5.073	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)c(I)c2)SC1=S	33657532	ZOEFMCXAJZNSDF-YVLHZVERSA-N	499.370	5.230	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1Cc1ccccc1	33932015	GAXLVTGSEFMAKE-ULJHMMPZSA-N	467.594	5.307	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)ccc1OCc1ccc(C)cc1	40007086	UMQCZZBQDMYIFR-DIBXZPPDSA-N	474.560	6.417	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)N(c3cccc4ccccc34)C2=O)c1	59484873	APXOCTWMAYDOCS-ZXVVBBHZSA-N	474.560	6.855	10	40	JKCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccccc1Br	100525467	UPDUOTYLLMICST-AWZKZOKMSA-N	485.323	5.356	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)cc21	208190713	KBMLDJBLMHHSRP-KWWJGWKXSA-N	472.372	5.382	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	224338866	GLYIKJBDGFJQTI-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Br)cc1	225016418	INKHJYSKDCOQMB-BJKOFHAPSA-N	495.490	6.167	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccc(Br)cc4)c3C)N21	260753051	BANQDBWMQSLWRA-LEOXJPRUSA-N	481.463	6.231	10	40	JKCB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	408574858	MYRKKQBAYZRGRR-HAHDFKILSA-N	490.606	5.114	10	40	JKCB	
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1	408753749	CFUTVJCINYQFCZ-CZLAYTOTSA-N	491.660	5.165	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1	408759492	FZNOBLWTHSMLPU-AQTBWJFISA-N	466.762	6.582	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)S2)cc1	408774338	VCFCQXFIZCMCEF-CBYYHRJHSA-N	462.575	5.473	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(NC(C)=O)cc4)c3C)S2)cc1	408781117	AASNKEFDNJBRSD-RISWYLRJSA-N	460.603	5.215	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1	408883301	PBHNDVBXHVRAHU-RDRPBHBLSA-N	488.587	6.331	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1	408983783	HRRYNBMDTPQAEB-JCMHNJIXSA-N	460.917	5.148	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)N(c4ccccc4)N=C3c3ccccc3)c2)cc1	409085157	RKZMVKLZLKGCHO-NHFJDJAPSA-N	494.572	5.597	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc(Br)c1OCc1ccccc1	409159030	PUFWMOKZQNOGMD-JXQFQVJHSA-N	498.367	7.141	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(F)c(Cl)c1	409178220	LEMTUEVXDGIRFN-VCHYOVAHSA-N	460.895	6.053	10	40	JKCB	
O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	409228283	WRJUGWIPJYAVNR-YBFXNURJSA-N	491.334	5.058	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C(=O)NC2=S)cc1	409229996	WJRUKWPRDCVANW-CPNJWEJPSA-N	495.398	5.411	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2	409334946	YCMITAZOWFLVJY-MYKKPKGFSA-N	488.565	5.963	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1OCc1ccc(Cl)cc1	409341849	CLLHWQOWBSBQOQ-UCQKPKSFSA-N	496.053	6.950	10	40	JKCB	
Cc1cc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc(C)c1Cl	1916178	IMQKUZICJOHNLS-ZDUSSCGKSA-N	495.925	6.812	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9310683	MEWIBAPRWGSQIR-RGVLZGJSSA-N	492.975	7.172	10	40	JKCB	
O=C(Nc1ccc(NC(=O)c2ccc(F)cc2)c2c1C(=O)c1ccccc1C2=O)c1ccc(F)cc1	9443440	NRWKBMIBLNPLKY-UHFFFAOYSA-N	482.442	5.245	10	40	JKCB	
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2OC)cc1	13838982	JHVJKJJPGOMMIE-SAPNQHFASA-N	482.588	5.161	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C	13881661	WLVDUORLDUWKMF-UCQKPKSFSA-N	491.588	5.779	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)c1	13893771	ZPVLBLLLHIGFAL-XQNSMLJCSA-N	476.916	5.613	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1c(F)cccc1Cl	16268286	JWPDRAJXMOHEGX-RVDMUPIBSA-N	471.916	5.697	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)o2)cc1	17051780	UBIRXNXBZYRJRA-PXLXIMEGSA-N	487.606	5.459	10	40	JKCB	
Cc1cccc(Oc2c(C(F)(F)F)oc3c(CN(C)C4CCCCC4)c(O)ccc3c2=O)c1	19791546	QKZSQDSXJAPQGI-UHFFFAOYSA-N	461.480	6.383	10	40	JKCB	biogenic
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	33571051	PYQDEMQJICDNNA-JRRXTTBFSA-N	473.627	5.634	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	41108111	OOGAAORYJDXTJR-DDSBZIKFSA-N	488.016	6.032	10	40	JKCB	
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(N(C)C)cc1	101395134	VHJIRBUZPVSVFB-RCRUUEGKSA-N	465.597	6.713	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	106535558	DHXZRFZTLGESMD-TWJOJJKGSA-N	467.952	5.671	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113834784	DNRLXJWGDFCHSV-PCLIKHOPSA-N	498.585	6.733	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	223059092	ISFCVIPCUVDQSL-AHWVRZQESA-N	462.663	5.423	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21	223333785	FOHSDNWCENPKSU-DNQXCXABSA-N	479.049	6.132	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466116	ZTXKAHFEFGVKNW-IZZNHLLZSA-N	488.060	6.019	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc21	223489995	UIAPCRXIVZKVDD-HYARGMPZSA-N	473.642	5.545	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223502230	XUIMQFCBXIYMLV-CLJLJLNGSA-N	488.060	6.019	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21	224002983	PKCUMSYPCNBQKT-CLJLJLNGSA-N	484.625	5.619	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224233574	UIACLLJXBGVJTH-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	225006576	ZQYDOFYZXCUPPV-DNQXCXABSA-N	484.591	6.423	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1	260572324	UPFOXZIIQYFZQP-PUDRWSQFSA-N	462.659	7.041	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4C)C3=O)c2C)c1	408752271	HGHGALCOJFVWOG-FYJGNVAPSA-N	492.373	5.140	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccccc3Br)C2=O)cc1	408758067	GIGMLHKOOAOZHR-JXAWBTAJSA-N	466.762	6.582	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)c2C)c1	408764084	LEHWGRZCJCYWLZ-FYJGNVAPSA-N	492.373	5.140	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC(C)C	408810372	ITCATSRAGVZTDM-OQLLNIDSSA-N	477.344	5.154	10	40	JKCB	
CCCOc1c(Cl)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1OC	408876488	PIJPSWFUENYDFL-UHFFFAOYSA-N	490.943	5.721	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4cccnc4)C3=O)cn(Cc3ccc(F)cc3)c12	409127307	HDBFBHXFHUGZKQ-CFRMEGHHSA-N	487.625	6.188	10	40	JKCB	
CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C1=O	409236126	RENXLJRNJHVRPY-BUVRLJJBSA-N	464.562	6.259	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c1	409341871	AJGOFKZCVLAIRH-OCKHKDLRSA-N	485.926	5.433	10	40	JKCB	
COc1ccc(OC)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(O)=NC2=S)c1	2265517	KHPKUGLLXMSVKA-UDWIEESQSA-N	495.988	5.436	10	40	JKCB	
O=C(O)c1cc(C(=O)O)cc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)c1	2680072	RBURBRUWEUGAGJ-XKZIYDEJSA-N	485.542	5.795	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc(Cl)c1Cl	9311237	HXQKIHAZKGGESF-GHRIWEEISA-N	471.181	7.227	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15997030	RGSOCVRCBMLVOG-KCHLEUMXSA-N	482.539	5.398	10	40	JKCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	35039908	AMQWVJDCORDMEI-ODLFYWEKSA-N	466.496	5.267	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(Cl)cc2)N3)cc1OC	58849514	WRAKBOUEHFLLBR-LZCXECNNSA-N	497.016	5.985	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccc(F)cc1	59135628	ZBFOTMDSZNIOCV-CPNJWEJPSA-N	450.853	5.565	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1cc(Cl)ccc1Cl	59136218	FFLBIZDSELMEHB-MHWRWJLKSA-N	488.371	6.212	10	40	JKCB	
CN(C)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	59418233	OHCLIFLHHBNJAP-LZYBPNLTSA-N	472.191	6.063	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12	112299288	QEGISMWAPXRMBU-HAHDFKILSA-N	461.566	5.526	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc2[C@H](C)CC1(C)C	208306042	NCQMIQKCTPCBOG-SDLXJUDFSA-N	461.631	5.247	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(=O)O	223099416	VJYWGHHUPDWMNI-RPBOFIJWSA-N	474.630	5.493	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	223824840	OSPGOYIBIJNUQB-SVBPBHIXSA-N	483.641	5.768	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223973532	NUQLMURQERLNNH-SVBPBHIXSA-N	499.615	5.764	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c1	224233486	UIACLLJXBGVJTH-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1Cc1ccccc1Cl	408871555	YYVMNZJKGTZKKX-YVLHZVERSA-N	499.325	5.398	10	40	JKCB	
Cc1ccc(COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2)cc1	408940937	VRIRSCHAHFFEHT-XKZIYDEJSA-N	460.917	5.202	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	409054324	FLQCYJBPIHBHJL-RGVLZGJSSA-N	499.325	5.686	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c1C	409126190	NGNMVDPALFFMHD-PDGQHHTCSA-N	481.371	5.157	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F	409173116	JYTARAAWTSXLCC-VXLYETTFSA-N	488.744	5.746	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C(=O)NC1=S	409238477	AIRBKWKRVMWBLQ-LFVJCYFKSA-N	465.578	5.387	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC	409350578	RYTLOJZXRCBEFO-RBFBNPFJSA-N	464.008	5.940	10	40	JKCB	
Oc1ccc(Br)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN21	8426558	MENHLZFUQHUXJM-DENIHFKCSA-N	455.739	6.050	10	40	JKCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(Cl)cc2Cl)C1=O	8819304	UAKOPBBAUJTESY-YVLHZVERSA-N	467.399	5.232	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1	8821814	DCOHERBJZKLDGD-PXLXIMEGSA-N	467.953	5.532	10	40	JKCB	
COc1cccc([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	8918290	FEPGBKGFZVWQCE-QKDODKLFSA-N	463.533	5.026	10	40	JKCB	biogenic
CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9087946	SUMIHMPKXQSMDL-DSITVLBTSA-N	488.370	6.016	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21	9306998	OZKHCTXAQCTIFS-GSDHBNRESA-N	451.497	5.157	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1	9635691	DUIMEHHOCLHZPE-VTGHKQSHSA-N	474.586	5.474	10	40	JKCB	
CCCCCN1C(=O)/C(=C/c2c(NCc3ccc(C)cc3)nc3ccccn3c2=O)SC1=S	16732616	KKFDWTMQFAUMCV-HKWRFOASSA-N	478.643	5.006	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O	19793182	RQBLCUFRGDRTIN-HNNXBMFYSA-N	477.479	5.940	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1	20324547	MBHLRDWGIZPSRM-UNOMPAQXSA-N	452.919	5.728	10	40	JKCB	
CCCCOc1ccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1	22419051	QGVPLFUXPGTFIB-MUUNZHRXSA-N	472.633	5.857	10	40	JKCB	
C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1	33681250	BJJSCHUGYQHCOC-MOSHPQCFSA-N	470.572	5.132	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	39477232	ANCDGQDQTCWUSZ-UHFFFAOYSA-N	499.350	5.094	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccc(F)cc1	41082988	GMJPZKFXMXFKPJ-CMBAVNGNSA-N	480.565	5.469	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	208476044	OUHGZBTVMRWJSO-GIJQJNRQSA-N	470.356	5.292	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(Br)cc1	222921112	NIZNQZTWOJVANA-PKTZIBPZSA-N	483.479	5.880	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223534366	LSNLJCBCGRXKQS-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)cc1	223856022	YINNNJKZHDIDIK-UIOOFZCWSA-N	454.599	5.680	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1O	223859201	XNZSZKTWKGQROP-LOSJGSFVSA-N	456.571	5.077	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F	224013108	ZVHWHYHQPUYQTI-UIOOFZCWSA-N	486.572	5.534	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224204582	CIWYLQHGCJZNIL-RRPNLBNLSA-N	468.626	5.983	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)C1=O	408604697	WDOPSIZPPKRGPI-UVTDQMKNSA-N	459.260	5.367	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCC(=O)N3CCCCC3)cc1)N2	408736284	PCNXQHODZOPILB-KHVXQDHOSA-N	460.574	5.081	10	40	JKCB	
COc1cc(OC)c(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1Br	408740686	DGBWOCUMNOXEOT-NTUHNPAUSA-N	466.125	5.210	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2cccc(Br)c2)c1	408757671	BLTKYQXONFKIIH-FYJGNVAPSA-N	461.315	5.290	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(Br)cc2)cc1	408762443	BFSLYZBKKBQEJO-KGENOOAVSA-N	478.302	5.200	10	40	JKCB	
COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O	408824104	HADXIWQBIFTSIZ-FYJGNVAPSA-N	497.334	5.247	10	40	JKCB	
CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(Cl)c1O	408893626	HFWGBTULCNMTLZ-UHFFFAOYSA-N	462.889	5.028	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccc([N+](=O)[O-])cc4)C3=O)o2)c1	409339670	KIMYHRRQYLQEST-VCHYOVAHSA-N	486.914	5.612	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl	409340125	QUKYBGJBBPYZKU-VCHYOVAHSA-N	496.437	5.958	10	40	JKCB	
CCN1C(=O)/C(=C/c2cccc(OC)c2OCCCOc2ccc(C)c(C)c2)SC1=S	2874058	RCSKHPZQOJVJIM-QNGOZBTKSA-N	457.617	5.381	10	40	JKCB	
O=C1/C(=C\c2c(-c3ccccc3)nn(-c3ccccc3)c2O)C(c2ccccc2)=NN1c1ccccc1	5846575	JSSGCLAUFYOTTI-MEFGMAGPSA-N	482.543	6.079	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1	9263162	BFHCGQUXTNBXIX-KAMYIIQDSA-N	459.310	5.404	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)c2C)cc1C	9308023	NZNLEEUHIFNADG-VZHDZHPESA-N	488.016	6.032	10	40	JKCB	
COc1ccc(OCCOc2ccccc2)c(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c1	12628691	GLHNCOFUOJSRST-ULJHMMPZSA-N	493.606	5.567	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)SC2=S)c1	35039320	HPGYHLNNZDLZSS-ZVHZXABRSA-N	459.592	6.182	10	40	JKCB	
Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Br)cc2)N1	53363271	LNGMKWBKWIUQDO-WMZHIEFXSA-N	485.765	5.759	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)c(C)n1-c1cccc(F)c1	59137420	RMCDYTFYFJZQFK-LICLKQGHSA-N	488.371	6.212	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)o2)cc1	59198243	CXLOLAPZKLKMMT-XDHOZWIPSA-N	479.286	5.418	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCSc2ccc(C)cc2)cc1	112295041	FWNQFYZLCRCJRL-QQTULTPQSA-N	457.599	5.410	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)c3ccccc32)cc1	113838473	SXSYEHLHDQCSFC-ZMOGYAJESA-N	485.590	6.312	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	223762412	VCWYBVYDCNVIOC-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
COc1ccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)c2)cc1	408572303	GALAMGXWMBBQSI-HMAPJEAMSA-N	494.569	5.258	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1Cl	408738549	LVMRZDCVRBNVGC-LDADJPATSA-N	496.788	6.591	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC(C)=O)cc4)c3C)S2)cc1	408787937	BABOZAIYANFCSA-LMSRTUJASA-N	461.587	5.181	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1ccccc1Cl	408874727	FXAIZBIOEDLRLN-FYJGNVAPSA-N	474.944	5.223	10	40	JKCB	
CCN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)C1=S	409017890	WDENAESHTMVSDD-XSFVSMFZSA-N	470.381	5.348	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N(c2ccccc2)C1=S	409018924	YWPIBYUJJALYDR-JXAWBTAJSA-N	485.392	6.207	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1	409040416	UFCMONBOIOUXNN-LICLKQGHSA-N	476.376	5.906	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1CCC1CCCC1	409124357	BOFUHVCEEWTRDE-BWAHOGKJSA-N	476.667	6.502	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(CC(=O)N3CCCC3)c12	409129689	LRHASTIMEOZDTQ-JCMHNJIXSA-N	475.639	5.232	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	409138852	IVBQDIRWRRRKKN-SRZZPIQSSA-N	463.430	7.018	10	40	JKCB	
COc1ccc(CN2C(=O)[C@H](Cc3ccc(OCc4cccc(F)c4)cc3)SC2=S)cc1	409149404	FHBFMFFFBWWNSS-QHCPKHFHSA-N	467.587	5.385	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Cl)C1=O	409230933	HATBHJHLPNTRMH-FYJGNVAPSA-N	485.993	5.014	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)SC2=S)cc1	409334802	XRXUICJVCACFMB-UDWIEESQSA-N	451.525	5.368	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)cc2)cc1	409345353	LKIAMTQUEQLSAK-XKZIYDEJSA-N	478.570	5.557	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6144594	KVINNEUXOBBPAZ-DPOKWSEZSA-N	494.374	6.826	10	40	JKCB	
CC(/C=C1\SC(=S)N(CC(=O)N(Cc2ccccc2)c2ccccc2)C1=O)=C\c1ccccc1	8951602	MERAFQNEXKHKTJ-HROAAXANSA-N	484.646	6.068	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3cc(C)ccc3C)C2=O)cc1Br	9262126	UCXPCRQYYRGDBX-STZFKDTASA-N	460.371	6.546	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc(Cl)c1	9296434	DVQKVGFIXBPGQN-VCHYOVAHSA-N	477.350	6.567	10	40	JKCB	
Cc1ccc(OCCSc2ccc(Cl)cc2)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	9833498	KJRXUSWSQZEWAN-CJLVFECKSA-N	464.974	5.281	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1	13686687	PXDTXHUJLGWLRX-MOSHPQCFSA-N	468.340	5.072	10	40	JKCB	
COC(=O)c1ccc(NCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1	16194217	PKMLDWYKRUDFTC-LZYBPNLTSA-N	453.372	5.051	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O	33422531	GMGVIGSBFUIVHD-GXDHUFHOSA-N	478.376	5.713	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35843275	IMTRWDSSHNCHHV-DSNGMDLFSA-N	453.925	5.362	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c(C)n(C)c4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1C	59248621	DSIHAVCMZRGGNV-KOEQRZSOSA-N	479.605	5.852	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)ccc1OCc1ccccc1	59860919	YQKFWXLURZXTKN-KGENOOAVSA-N	456.498	5.398	10	40	JKCB	
CC(=O)N(c1nc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cs1)c1ccc(F)cc1F	96663266	KRBRDUVDGFLJLZ-VXLYETTFSA-N	470.526	5.497	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	144215895	PBQQXRVZAIXQHJ-PKAZHMFMSA-N	498.579	7.053	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223314560	SUIWYWGLAHFKEP-KSNOWIBYSA-N	481.065	5.602	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223383109	PZPJOQIMBTXXCT-IZLXSDGUSA-N	466.654	6.224	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224018344	QNDSKLJJMJMUOW-XCZPVHLTSA-N	496.636	6.012	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1	224804568	WUCCENROAWEDGV-WUFINQPMSA-N	498.652	5.992	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(F)cc1	225044056	KFEFDQLOAPCBQD-NSOVKSMOSA-N	499.659	6.103	10	40	JKCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1	225086708	CKCIFGXELXKJKQ-UHFFFAOYSA-N	493.673	5.046	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(Br)cc1	408634791	UPSMDCXSIWHBLN-NDENLUEZSA-N	469.360	6.216	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1ccccc1F	408740672	DBSNDGLVQQTXEC-XDHOZWIPSA-N	481.317	6.157	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1	408757639	BENWKOITZQUKRS-XQNSMLJCSA-N	480.976	7.248	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2cccc(Br)c2)cc1	408763820	KJWGQYLTFZMMFV-HZHRSRAPSA-N	460.375	5.658	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1	408766861	TWCPRGMJKDYHOR-PXLXIMEGSA-N	463.331	5.388	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)c1C	408783024	JIYPKZNHDPYCDX-XIEYBQDHSA-N	475.548	5.736	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)c2C)c1	408791485	ZGLQZJJRGVDNSS-MZANGIHLSA-N	475.614	5.433	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	408815921	SZZZKNQFBHDDQM-XKZIYDEJSA-N	452.963	5.993	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3Cl)C2=O)c1C	408816223	YACUTHRXLCJYEQ-UDWIEESQSA-N	495.362	5.856	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1	408889799	HFCQWBCTLUNHKD-WOJGMQOQSA-N	485.298	5.378	10	40	JKCB	
CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408946790	BALMZQACIPCEDZ-MZJWZYIUSA-N	498.623	5.856	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)c1C	408966715	NSKJFMOOWLYNCZ-HZHRSRAPSA-N	480.593	5.090	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccccc4)o3)C(=O)NC2=S)cc1	408999746	VPQKFTPQPVTRRI-GZTJUZNOSA-N	499.411	5.333	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409201571	MPYTWANAPICCIY-LPYMAVHISA-N	480.973	6.165	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1	409374946	BYNIXZFAEBSELO-OMCISZLKSA-N	464.351	5.514	10	40	JKCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12	847544	PMHQZTDRWWMSJV-HMAPJEAMSA-N	490.300	5.059	10	40	JKCB	
CCOc1c(Br)cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OC	3768947	YDNZAJRIUDXHKW-WOJGMQOQSA-N	478.433	5.879	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)ccc4C)cc3)C(=O)N=C2S1	9292079	ARKJXPVYBFTTDO-ZPFBFIQOSA-N	490.629	5.817	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccc(CC)cc4)N=C3C)o2)ccc1Cl	12413295	URSCDSJMQXXSPA-RCCKNPSSSA-N	462.933	6.145	10	40	JKCB	
CCCCC1(CC(=O)Nc2ccc(CC)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	12419669	BZXWMNUFRYTTIB-UHFFFAOYSA-N	469.585	5.749	10	40	JKCB	
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)c1OC	20033717	CEJPURLKVRROJN-OREGWCPLSA-N	490.625	5.948	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1	35387485	QDKLPLFEWAQIFX-OCLIGMCMSA-N	477.952	5.554	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)c(Br)c3)C(=O)N=C2S1	41083707	SBVPLCZWWUWBQI-VOECXEDKSA-N	482.359	5.144	10	40	JKCB	
O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847438	YMJDXTDXWKRYKE-YZUZCNPQSA-N	480.973	5.666	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847579	VLHIQGKHULGXIP-SGIRGMQISA-N	495.000	5.754	10	40	JKCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)N21	222702796	PRRSIUXSJSWHEU-GKVQRAMASA-N	467.038	6.131	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(O)cc1	223859415	OCGZAJKTKNTSDJ-LOSJGSFVSA-N	456.571	5.077	10	40	JKCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)N21	260778147	RDWDLYKGGMOHKV-YSZBQJHXSA-N	470.564	6.487	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Cc1ccccc1F	408875793	KXXDALCIQSYJIS-CIAFOILYSA-N	492.934	5.443	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408902443	NTLOXGAPXHAGRJ-RGVLZGJSSA-N	482.323	6.287	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2F)ccc2ccccc12	408935716	DMUBOUWGFQJTLR-JJIBRWJFSA-N	464.496	6.000	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OCc2cccc3ccccc23)c1	408941542	WXGFWUGQATZFBX-MYYYXRDXSA-N	482.923	5.739	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4cc(Cl)ccc4C)C3=O)o2)cc1	408983265	ACYCDMRCFHIDEN-XQNSMLJCSA-N	495.962	7.166	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1	409009353	DOTVMVBUWOUAQR-HZHRSRAPSA-N	486.369	5.858	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccccc3F)c12	409124056	IWEBEBBDGSVUFE-QRVIBDJDSA-N	476.598	6.386	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)NC1=S	409230637	DRCWAJRXKWFOHT-SFQUDFHCSA-N	450.604	5.127	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1OCC	409328583	XXZYZHDSEYLLTJ-AQTBWJFISA-N	478.433	6.042	10	40	JKCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1	409345961	MHLIYBYSHROCAL-LPYMAVHISA-N	494.569	5.258	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	409407696	NSNJJHXOLYLEOR-UNOMPAQXSA-N	483.749	5.143	10	40	JKCB	
CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(N(C)C)cc1	2383253	QAHXQEOLADCIJB-IEWVHIKDSA-N	451.551	5.958	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1-c1ccc(Br)cc1	3291874	IAEZRHKVDGVUKB-UHFFFAOYSA-N	482.407	5.022	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(-c2ccccc2)cc1	8820504	PSYCCXADDWIAJN-UDJOLXTBSA-N	484.646	6.530	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1	8821878	FROCEVDXERCVDG-CIAFOILYSA-N	462.487	5.204	10	40	JKCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1	8821902	WVKGKMUYBLDZLB-VCHYOVAHSA-N	473.337	6.342	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1C	9293679	NOJPZEIQHZYUQD-VZHDZHPESA-N	471.561	5.518	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9310464	HRULZYGUKVPFQC-KEBDBYFISA-N	492.975	7.172	10	40	JKCB	
COc1ccccc1OCCCOc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	9849698	VEXYNHDDTUVJFB-MOHJPFBDSA-N	477.607	5.949	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)N(Cc2ccccc2)c2ccccc2)C1=O	11859681	MERAFQNEXKHKTJ-MYWKWTIGSA-N	484.646	6.068	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)c2C)cc1	13038137	ATHNIYYSXQXKAB-UHFFFAOYSA-N	479.939	5.729	10	40	JKCB	
Cc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)c1	13800655	PSPSEBHEOWCGSC-SUJAKXCHSA-N	481.577	5.757	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)c2ccccc21	13943659	DHRVRCUAVJXZBR-XLNRJJMWSA-N	487.556	5.364	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	16362407	ATNBIFKINFTNDE-ITYLOYPMSA-N	472.629	6.274	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCCC[C@H]4CC)c(O)ccc3c2=O)cc1	19793035	MWWJRPJENUISAC-QGZVFWFLSA-N	475.507	6.637	10	40	JKCB	
O=C1N=C(O)/C(=C/c2ccc(SC3CCCCC3)o2)C(=O)N1c1ccc(Br)cc1	20238535	KFSCOAHUZKKVAU-ATVHPVEESA-N	475.364	5.974	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)SC2=S)c1	32125006	SMMIGGNWDKCFQJ-FYJGNVAPSA-N	499.038	7.114	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3OC)C2=O)cc1Br	33155003	SRGTZZNCPLYZNH-XMHGGMMESA-N	462.343	5.938	10	40	JKCB	
CCOc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CCN(c3ccc(OC)cc3)CC2)cc1	36370368	RNNWVSKCBPRUNH-UHFFFAOYSA-N	497.595	5.208	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222927331	PRKHVPZPLZZVBV-RPWUZVMVSA-N	479.606	5.034	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2[C@@H](C)CC1(C)C	223583341	BIXZBGPEXUMHEX-WQZUMXOESA-N	475.658	5.555	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1	224804529	WUCCENROAWEDGV-IZLXSDGUSA-N	498.652	5.992	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1C	225049524	OBYPTNHOTPZOSY-KAYWLYCHSA-N	496.684	5.667	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	260573609	ZCGAVROJRIDPSD-OLIBUNOHSA-N	498.048	6.045	10	40	JKCB	
Cc1cccc(NC(=O)COc2cccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c2)c1	408571635	CADRFRAOKDKTQS-ULJHMMPZSA-N	488.634	5.456	10	40	JKCB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1[N+](=O)[O-]	408640261	IGPFEPDTOUCESJ-FQEVSTJZSA-N	481.508	5.840	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	408742727	SIOQWPMJJWETTQ-GZTJUZNOSA-N	487.762	5.194	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2ccccc2Cl)C1=O	408891220	NCFZXBYKYGNDMC-STZFKDTASA-N	490.943	5.156	10	40	JKCB	
O=C(O)c1cccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)c1	408972596	PKCGDROAHLWALQ-STZFKDTASA-N	466.415	5.312	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c(Br)c1	408983795	CPNKXTSDTRVCAY-XMHGGMMESA-N	450.763	6.882	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4OC)C3=O)o2)cc1	2304129	YNSJTMZCXXUBJT-LYBHJNIJSA-N	491.543	6.603	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5cc(Cl)ccc5C)c4C)C(=O)N=C3S2)c1	2449771	VCQUHWDCQVCGCD-FNARYYANSA-N	488.016	6.032	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c(C)n1-c1ccc(OC(F)F)cc1	2661191	SMQQQPMNHUKIBL-UHFFFAOYSA-N	489.927	6.603	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1	8915908	MOPVBYGXPICKFS-JLPGSUDCSA-N	477.607	5.554	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C2=O)cc1Cl	8997352	MAICAQDFRVXWST-QRVIBDJDSA-N	483.955	6.467	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C(c2ccccc2)N1c1cccc(Cl)c1	9311276	CPDIWJZHBCPMSA-QGOAFFKASA-N	492.789	8.378	10	40	JKCB	
O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9375515	OYAZMMJZMDVENE-SSBOKUKZSA-N	481.551	6.003	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4Cl)cc3)C(=O)N=C2S1	9635697	GYNRODYOWLGEEA-ZCIRBWHOSA-N	468.966	5.073	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c(C)c1	10112136	IDUVZPCDPWXJAO-UHFFFAOYSA-N	491.657	5.333	10	40	JKCB	
Brc1cc2c(cc1[C@H]1Nc3ccc(I)cc3[C@H]3C=CC[C@H]31)OCO2	13389330	RIVTWYVNCSCPEQ-CRTZDJKQSA-N	496.142	5.609	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	13768850	HSZGKYLTTOYVQC-GUNOGENKSA-N	474.589	6.552	10	40	JKCB	
Cc1ccc(-c2ccc(CCC(=O)O)n2Cc2cccc(CNC(=O)OCc3ccccc3)c2)cc1	14153017	MPJQMAOLAINAET-UHFFFAOYSA-N	482.580	5.955	10	40	JKCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCN(CC)CC4)c(O)ccc3c2=O)cc1	19793049	WFUCBVVEYCLGRS-UHFFFAOYSA-N	476.495	5.010	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)cc1	33675454	NNXHZRDFUJHAFZ-MSYYJCCKSA-N	467.598	5.632	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)SC1=S	34719018	DBQGFJPYVPUEDV-UCQKPKSFSA-N	483.058	6.548	10	40	JKCB	
N=C1/C(=C/c2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC(c3ccco3)=NN12	41076729	TYPGSIOSNWWEGY-IHVOSJJMSA-N	470.535	5.844	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc21	208253107	BBVLJCLPBOZAMV-YYLUKMIBSA-N	475.441	6.952	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1	223384782	VWJWFIJQLZPFMZ-CLJLJLNGSA-N	473.045	6.315	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223609749	ODIXHQIZSPUVGS-KWJZBXMYSA-N	475.658	5.635	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1O	223859102	XNZSZKTWKGQROP-JWQCQUIFSA-N	456.571	5.077	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224169841	FMDCELYAAYCLAU-KAYWLYCHSA-N	452.627	6.283	10	40	JKCB	
O=S(=O)(O)c1cc(N=Nc2ccc(/C=C/c3nc4ccccc4[nH]3)cc2)c(O)c2ccccc12	245240003	NVBYMNFFVGBGMZ-QUODOKAOSA-N	470.510	6.254	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)c2C)cc1	408812491	LXLJNWIYCPDIRS-UHFFFAOYSA-N	452.987	5.828	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1	408845386	WIJBGMQFWZMYPH-LFVJCYFKSA-N	487.784	7.090	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)ccc1OCc1ccccc1C	408847160	ZVSWRXDZHPHOCT-MTJSOVHGSA-N	490.943	5.740	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1Cc1cc(C)cc(C)c1	408865588	BJAHJDPDEBDYJH-MFKUBSTISA-N	468.553	5.186	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408869760	QVJRLRFHMVIGQL-BUVRLJJBSA-N	468.553	5.186	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409011971	PLQCEEYQGVMRCN-ONUIUJJFSA-N	468.597	6.287	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409012842	LLEQXIPPLAGGRG-JLPGSUDCSA-N	489.015	6.632	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2C)cc1	409137612	XHIANKMAFNVJJF-HYARGMPZSA-N	452.576	5.497	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1OC	409329371	FBJRCSZIQFZDPB-NDENLUEZSA-N	464.008	5.942	10	40	JKCB	
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc(Br)c(Cl)c2)C1=O	409342963	DAXQUHOYYNDIRA-SGEFVQMOSA-N	482.852	6.686	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)o1	409349685	VXRZAEHSXCDFCZ-YBFXNURJSA-N	466.496	5.267	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1	8914206	OVYGPYPPALXMTK-BDFKGGEMSA-N	461.949	6.210	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	9310038	MPXSNJYXGPOHFS-JJYAYZJSSA-N	471.969	6.223	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1	9730542	CJFWYAGUVDAPCZ-NIHKYSPPSA-N	482.993	5.593	10	40	JKCB	
CC(C)(C)c1ccc(OCCn2cc(/C=C3/C(=O)Nc4cc(Cl)ccc43)c3ccccc32)cc1	20059495	ZROHNNJICLJTIC-PCLIKHOPSA-N	471.000	7.164	10	40	JKCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12	33660648	CXSVQXZCOHWWHC-JCMHNJIXSA-N	489.358	6.187	10	40	JKCB	
Cc1cccc(OCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	34876731	IDRVHUZREWBFOR-HZHRSRAPSA-N	469.497	5.124	10	40	JKCB	
CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@@H](C)C2	44827088	OAMCJYOKHFDLJI-MURKYSCBSA-N	451.592	5.548	10	40	JKCB	
CN1C(=O)C(=Cc2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C(=O)N(C)C1=S	59139466	JQKMASASRQAEQV-UHFFFAOYSA-N	485.392	5.324	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	59267078	HSJLBXMGTFVQKV-DDBGAENHSA-N	489.624	7.253	10	40	JKCB	
CN(C)c1ccc([C@H](CC(=O)c2c(O)c3ccccc3n(C)c2=O)Nc2ccc(Cl)cc2)cc1	104827669	LCYAJJNEIFPDCP-QFIPXVFZSA-N	475.976	5.390	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223750798	WPPBUDJRFIOFDR-RPBOFIJWSA-N	455.587	5.070	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	223759450	BVMQDPNOQKMDPE-FTJBHMTQSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224369369	FDWMJYBGZFHNCW-FQLXRVMXSA-N	496.680	6.798	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	224436841	JHPCTZLPUFYYCO-FTJBHMTQSA-N	486.572	5.534	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)nc1	225049806	RLOSCQCMPHVEHR-NSOVKSMOSA-N	496.684	5.667	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C	260912613	FVYTYQNCCDGLKZ-CLJLJLNGSA-N	470.642	5.899	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1	408784017	QMKHYNOVVSVRSP-DEDYPNTBSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)cc1C	408871724	ZPLOEXYCCLUUHB-YZSQISJMSA-N	478.523	5.853	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c3ccccc32)cc1	409020410	OYZHZMXIIRBOMC-MFKUBSTISA-N	479.605	5.446	10	40	JKCB	
O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1c(OCc2ccccc2)ccc2ccccc12	409051232	APEJEVZXRDWDET-XHLNEMQHSA-N	480.563	8.067	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409087852	KISOTSOZXUOLMX-UDWIEESQSA-N	469.349	5.811	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)C2=O)c1	409230790	GOSCERVCVKIPMU-SRZZPIQSSA-N	454.357	5.802	10	40	JKCB	
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409329549	FSNVZTRWONLXFV-GIJQJNRQSA-N	478.389	5.372	10	40	JKCB	
COc1ccc2c(ccn2CCCn2c3c(c4ccc(OC)c(OC)c4c2=O)C(=O)c2ccccc2-3)c1	604404693	JDYHTITVWYSFSE-UHFFFAOYSA-N	494.547	5.284	10	40	JKCB	biogenic
O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1	2488563	CTTOGPAAVKCXEG-GLDPYIMESA-N	464.518	5.151	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(OC)c(OC)c3)sc3c2CCCCC3)c1	2909625	FHHDIIVRGHYGSA-UHFFFAOYSA-N	496.629	5.916	10	40	JKCB	
CCOc1ccc(CNc2sc3c(c2C(=O)Nc2cc(OC)ccc2OC)CCC3)cc1	3065936	DSYJJVNQLSTMJX-UHFFFAOYSA-N	452.576	5.517	10	40	JKCB	
CN(C)c1ccc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2c2ccccc2)cc1	8397207	JVSWRWBDLCVOJN-VBKFSLOCSA-N	457.402	5.283	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1ccc(Br)cc1)c1ccc(C)cc1	8424866	XIGQOGWPXFERNK-RENSKAHKSA-N	457.371	6.647	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2C)SC1=S	9763135	FZDMPKYKKYAGSJ-UCQKPKSFSA-N	482.026	6.642	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1Cc1ccccc1	12285051	APHZJKSCPHWQPY-YZSQISJMSA-N	467.615	6.820	10	40	JKCB	
Cc1cc2c(N)c(C(=O)OCC(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2nc1-c1ccccc1	13575517	LXZQFTAPQMLBPV-UHFFFAOYSA-N	490.584	6.465	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1OCc1ccc(F)cc1	14132854	CMSQIQHDSGDSIG-YBFXNURJSA-N	494.906	5.042	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\S[C@@]3(NC2=O)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1	15057175	NXFJHCMRBOPZPS-CTLGDNSLSA-N	496.636	5.592	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	16347728	VCDDGTSHJBIEQC-BPYKYCOYSA-N	495.000	5.974	10	40	JKCB	
O=C(c1cccc(Br)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O	27827294	RRSHAIRQUKVJFK-HXUWFJFHSA-N	455.739	5.800	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)SC(=S)N1Cc1cccnc1	32111824	VQZAYCZENFLCFW-NVMNQCDNSA-N	480.920	6.415	10	40	JKCB	
O=[N+]([O-])c1ccc(N2N=C(c3ccc4ccccc4c3O)C[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1	33917222	ULAMKFRJZLAJEZ-HSZRJFAPSA-N	488.887	6.371	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1	35039926	FHUUYTGNBWTIHP-STZFKDTASA-N	466.540	5.307	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1ccccc1	58822075	JCXZCXSCAVVTKH-KOEQRZSOSA-N	453.588	6.825	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(C)=C2C(=O)OC)cc1OCC	58883949	JCLXEQJEAODDQM-MOSHPQCFSA-N	455.938	5.405	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1	101666021	KLRRQSDNQTYOHW-KGENOOAVSA-N	490.357	5.273	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccccc1	113834762	PCDHVAXARJKEEH-OEAKJJBVSA-N	471.563	6.004	10	40	JKCB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)C(C)=CC(C)(C)N4C)C2=O)cc1	208443417	YNXBSRYJJIPRKI-XKZIYDEJSA-N	477.586	5.002	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCOC)c1C	223061290	BKGDQXCXDJJKGS-AHWVRZQESA-N	462.663	5.369	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1ccc(N(C)C)cc1	223348683	MENYJAUYBDVWCY-FTJBHMTQSA-N	471.630	5.321	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)cc1	223428976	WBVMEDAWLUAOEH-CLJLJLNGSA-N	483.641	5.374	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1O	223897488	RSGJZVXCNWYUFJ-SVBPBHIXSA-N	483.641	5.438	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc2ccccc12	225013263	DBKKZSCYWXEKTF-VSGBNLITSA-N	466.654	6.557	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3cccc(C)c3C)C1=O)[C@H](C)CC(C)(C)N2C(C)C	260562774	BSYDGEBDXGKTJN-IXOWOOARSA-N	489.685	5.944	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl	408527201	CZOUWZZPPSUVEU-ZROIWOOFSA-N	469.564	5.584	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)C(=O)N1c1ccc(Cl)cc1	408728156	WJCJPKQFJXSIAD-LERSRRNTSA-N	485.952	7.855	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C2=O)cc1C	408778736	XVZLCQQSMLRPGZ-PCLIKHOPSA-N	469.585	5.675	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cc(C)cc(C)c4)ccc4ccccc34)C2=O)cc1	408884870	YUNPLEAZFVCZAA-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3cccc4ccccc34)C2=O)cc1	408989526	LAQGCIMLVSLBPN-ITYLOYPMSA-N	476.532	5.648	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl	409021313	AWRYDZBOKARYNC-DHDCSXOGSA-N	456.247	5.889	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C2=O)cc1	409022751	RWIYUVDPOYABGC-SRZZPIQSSA-N	497.382	5.241	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)SC(=S)N1Cc1cccnc1	409145358	NYFZKXKAVXJXCN-OAQYLSRUSA-N	499.455	5.395	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1	409228073	ZVGJMJDZHIKXKP-YBFXNURJSA-N	461.946	5.000	10	40	JKCB	
O=C1/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Cl)c1	409330371	LLODQLYHAPYBHI-UNOMPAQXSA-N	455.948	5.504	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)SC1=S	409330754	LVWDMCFRMKPAIE-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(=O)OC	409340564	ZIRSUWPMSXAEFA-LICLKQGHSA-N	498.409	5.350	10	40	JKCB	
O=C1/C(=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)SC(=S)N1c1ccccc1	409345101	KGULHNQOZZQCEY-UDWIEESQSA-N	493.972	6.620	10	40	JKCB	
Cc1ccc(O)c(CN2CCC[C@]3(C[C@H](OCC4CC4)CN(Cc4cccc(Cl)c4)C3=O)C2)c1	2037879437	WMMQINBSYHWOCF-LSYYVWMOSA-N	483.052	5.164	10	40	JKCB	
COCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2C)SC1=S	2365629	JWAKKOLXLWYXDP-HAHDFKILSA-N	493.654	5.483	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1	8453073	SKXXHLLEQXVDSN-ICALIKLASA-N	492.601	5.127	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc(OCc5ccc(C)cc5)c4)S3)CC2)cc1	9188200	HRUVAMLJPGGKSH-DIBXZPPDSA-N	499.636	5.375	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2cccc(Cl)c2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9236518	XLTNGZGKXWDQNF-SDHOMARFSA-N	453.925	5.362	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1	9730926	XMIKDXSTKHISCF-YJPMRLEUSA-N	492.601	5.352	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Br)c3)C=C2c2ccccc2)cc1	9934638	GVTRCBCBAVBWDY-RGEXLXHISA-N	462.343	5.938	10	40	JKCB	
Cc1cc(C(=O)COc2ccc(Cl)cc2C2CCCCC2)c(C)n1-c1ccc2c(c1)OCO2	13140312	UUTQLGJRFYEVQS-UHFFFAOYSA-N	465.977	6.786	10	40	JKCB	
O=S(=O)(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14166043	RSUTZEOEGUORSK-NYULUDCUSA-N	487.024	7.121	10	40	JKCB	
O=C1Nc2ccccc2/C1=C\c1cn(CCOc2ccccc2)c2ccc(Br)cc12	16050861	NRTXVFFRJSLTTR-HYARGMPZSA-N	459.343	5.976	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1	17293500	NZYHEVUJBGLNIO-STZFKDTASA-N	454.364	5.840	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)N=C2S1	33771137	ZUEDTNLZQQIICN-XGCFFSCVSA-N	498.052	6.346	10	40	JKCB	
O=C(COc1cccc(/C=C2/SC(Nc3ccccc3)=NC2=O)c1)Nc1ccc(Cl)c(Cl)c1	33783394	BBAMACWHHIXNKD-CIAFOILYSA-N	498.391	6.093	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1Cl	41108238	NTXNNBIQQWJQQE-JSXACDQRSA-N	491.979	5.863	10	40	JKCB	
CCCCCSc1nnc(-c2ccccc2N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(O)n1	100174773	PLGOPPKFKPNZHD-SILNSSARSA-N	474.590	5.245	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)nc1	224021375	HNIPUEDXKPDPQT-CLJLJLNGSA-N	483.597	5.098	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608581	JDBNNLKEQJNDPE-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1	408754342	JUOHSXYMHOVSQG-YBFXNURJSA-N	481.733	5.666	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Br)cc1F	409020194	MPNFXEOZPFHYCR-KEBDBYFISA-N	486.316	5.228	10	40	JKCB	
O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1	409097647	NATJHDISFHWIBA-UDWIEESQSA-N	450.516	5.189	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1	409341375	AHOXIYVNIZZRJB-PDGQHHTCSA-N	487.027	5.939	10	40	JKCB	
O=S(=O)(O)c1cc(/N=N\c2cccc(C=Cc3nc4ccccc4[nH]3)c2)c(O)c2ccccc12	2049241016	RRVMYYAEPMQLSF-QEUAOOOHSA-N	470.510	6.254	10	40	JKCB	
C[C@@H]1CN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)S2)C[C@@H](C)O1	1019934	SMFDACZXJAVNJF-WNGFQLFOSA-N	484.581	5.365	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	1835820	FYTLFGWFUPLAEX-AQTBWJFISA-N	453.614	5.225	10	40	JKCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC(=S)N1c1cccc(O)c1	2212373	RDJZXDNAJPMCSL-NHDPSOOVSA-N	498.969	5.939	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1C	2282331	BYPGFEFBAAHEIA-WSLHGYQHSA-N	489.618	6.185	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)SC1=S	8821551	PDFVMWZZBHVPCN-LZNAANCOSA-N	460.533	5.008	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)NC1=S	9309387	YSMOPCJPWLLYGP-GXDFBKAQSA-N	465.578	5.078	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1Cl	13748976	HGSUBUKWNDKVMP-BOPFTXTBSA-N	450.834	5.113	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc([C@@H](C)CC)cc3)C2=O)cc1	13940699	ATOKWDIIQZKAIK-HOIQBIFOSA-N	485.584	6.150	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccccc1OC	13942180	PHDVWSKDIJDCAE-UYRXBGFRSA-N	480.007	5.036	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1	15162999	WDBJJXLNDUZKFB-XLGIIRLISA-N	478.375	6.860	10	40	JKCB	
O=C1/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc2N1Cc1ccccc1	15228592	CEOSEFSRTWITAE-XHPQRKPJSA-N	469.544	5.532	10	40	JKCB	
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c(C)c1	16701053	LKOHQBOCRSXEHO-BRPDVVIDSA-N	490.607	6.833	10	40	JKCB	
CCN(CC)CCC[C@@H](Cc1ccccc1)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12	17145637	JVSQUMDDANEUCM-QHCPKHFHSA-N	476.064	7.195	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1	27016915	JXTXCXHRWUDSGR-RVPYRKDQSA-N	488.613	5.018	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c(Br)c3)C=C2c2ccccc2)c1	27519463	BCULZDBQWICTIA-CPNJWEJPSA-N	462.343	5.938	10	40	JKCB	
O=C1/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1c1ccccc1	33459557	SGQYHYFKHBBQPA-QJOMJCCJSA-N	453.567	5.311	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1C	58846590	MOABFERUEJDNJO-IWVFXYMLSA-N	486.681	7.228	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C	59135939	ODGFVOMFJDMFLN-LDADJPATSA-N	478.505	5.121	10	40	JKCB	
O=C1c2ccccc2C(=O)C1[C@@H](c1cccc(Br)c1)c1c(O)c2ccccc2sc1=O	101100057	ROWONMHPTKAMKE-LJQANCHMSA-N	491.362	5.557	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O	208198852	QUXHNVVCQMWDMS-UZUMKDMXSA-N	496.405	5.146	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223313365	LRRBDBYXWLCSFZ-HRNNMHKYSA-N	460.647	5.257	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223420341	BDTCHJWVXQAIRE-KAYWLYCHSA-N	486.616	5.810	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc21	223483039	QHJXCBTXOFVJAQ-HYARGMPZSA-N	459.615	5.237	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012019	INBUMDKIROLIBI-KAYWLYCHSA-N	482.609	5.703	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224253828	KXXMGMFRNKXLMW-SXOMAYOGSA-N	496.636	5.761	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c(C)n1-c1ccccc1	225503296	QJCBRWIVYPPVCP-RRPNLBNLSA-N	481.625	5.100	10	40	JKCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	408885235	YODBFAAZNVLSDR-UDWIEESQSA-N	467.308	5.239	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)C1=O	408960021	IBOXHIWEHWKBFW-XQNSMLJCSA-N	455.558	5.194	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)SC(=S)N1Cc1cccnc1	409145356	NYFZKXKAVXJXCN-NRFANRHFSA-N	499.455	5.395	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O	409246545	CPVBHUIMWOVWHM-XNTDXEJSSA-N	475.715	5.882	10	40	JKCB	
CCOc1ccccc1NC(=O)c1c(NCc2ccc(OC)c(OC)c2OC)sc2c1CCC2	920868	DRLNRXSBCWATFK-UHFFFAOYSA-N	482.602	5.526	10	40	JKCB	
O=C(CSc1ncc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccc2c(c1)OCO2	1355690	VNLPHFRALDTGLK-UHFFFAOYSA-N	467.934	5.304	10	40	JKCB	
C[C@@H]1C[C@@H](C)CN(Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)C1	8789778	QEPAAFOSILKOCW-HUUCEWRRSA-N	465.933	5.403	10	40	JKCB	biogenic
O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C(c2ccccc2)N1c1cccc(O)c1	8872183	JZZVALUDUBDRKK-HMMYKYKNSA-N	484.349	6.886	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1OC	9113108	HFAVZXVXUTUFSI-AYBPGSHHSA-N	486.568	5.128	10	40	JKCB	
O=C1/C(=C\c2ccc(F)c(Br)c2)SC(=S)N1c1cccc(Br)c1	9233635	AHYJIUKBKJWUFF-VGOFMYFVSA-N	473.186	5.757	10	40	JKCB	
Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	13069678	ODKCLLJHNBVSMY-ZLOXQWCVSA-N	462.377	5.084	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1	13892990	WTMHXIIBWYVHCP-JLPGSUDCSA-N	461.608	6.066	10	40	JKCB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	13940449	GNRXBLVGIYRIIB-HKSLHJNNSA-N	454.570	6.464	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Br)c2)c1C	14010604	ZLYOFVZZRVKLFH-UUYOSTAYSA-N	495.373	5.322	10	40	JKCB	
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc(/N=N\c2ccc([N+](=O)[O-])cc2)c1O	17721643	MRNBDIGPVRKDOB-JKZRTEGISA-N	471.407	5.076	10	40	JKCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)Nc2cc([N+](=O)[O-])ccc2C)cc1	20289160	TUDUJKOFFCSBES-KQWNVCNZSA-N	499.552	5.659	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OCCCOc1ccccc1OC	33430307	AZQCWTWDEXXGIG-JWGURIENSA-N	473.616	5.163	10	40	JKCB	
CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(=O)c2ccccc2)cc1	100524753	JBHHGKQILISYPE-XHWLHZJSSA-N	465.538	5.916	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224241091	DFRFKBURIWQRCQ-IZZNHLLZSA-N	453.615	5.678	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224303628	RLVNJAFYFNCQFT-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccccc1I	408526647	CWAZERZAWFQJKS-UVTDQMKNSA-N	496.146	5.081	10	40	JKCB	
COc1cc(Br)cc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1OC(C)=O	408741412	IQVFGDDGELVSSF-AUWJEWJLSA-N	494.135	5.127	10	40	JKCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C2=O)ccc1Br	408763327	MSEXDMUWLZGFPT-DEDYPNTBSA-N	484.394	5.347	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4OC)c3C)S2)cc1	408768732	INYHTHKFETUFEG-VVNKCDPRSA-N	478.574	5.173	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	408774267	UEXNHMKCRGODHE-QQXSKIMKSA-N	489.015	6.748	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2cccc(Cl)c2)c1	408816248	RHSYJUXGTOYGKV-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	408817703	WOKXUGGYCLFDAC-PCLIKHOPSA-N	478.504	5.099	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1	408989632	UQABRAMZDMHEPQ-BKUYFWCQSA-N	490.943	5.293	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409019070	XVTZHXQABMZHQW-ONUIUJJFSA-N	453.538	5.760	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3CC)c2C)C(=O)N(c2ccccc2)C1=S	409023200	UQYZYDRRMLCPLH-HKOYGPOVSA-N	471.626	5.610	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)SC1=S	409039949	RRPYYRDJFLUVFT-GRSHGNNSSA-N	480.424	6.024	10	40	JKCB	
COc1cc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	409143202	VXERXLUYSYJVSJ-RUZDIDTESA-N	477.651	5.597	10	40	JKCB	
CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(CC)c4ccccc43)c2C)sc2c1CCCC2	409198620	CHVOTVYJEJZZPE-CJLVFECKSA-N	474.626	6.118	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1cccc(Br)c1	409203244	XBRXCRGITFFZJQ-DEDYPNTBSA-N	468.397	6.647	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C)cc1	409329438	FVJMEVHFQYZNSD-UCQKPKSFSA-N	492.578	5.897	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCC(C)C	409342893	FEFQRNJUYNVNMX-NDENLUEZSA-N	492.460	6.288	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1	409344403	JCOSKLUCBPQQCC-JMIUGGIZSA-N	493.868	7.460	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	2222799	ZZWMBDDHFVCXGS-HBBMIWKISA-N	459.458	5.875	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1	8821421	KDYWXTOPKKJQJK-PXLXIMEGSA-N	454.016	7.348	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC(=O)c4ccccc4F)c3)SC2=S)cc1	8993716	QDXDFTCYOHKYCR-JCMHNJIXSA-N	463.555	6.013	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4cccc(OCc5ccccc5)c4)S3)CC2)cc1	9188199	AMZZISGXSQTOPZ-XHPQRKPJSA-N	485.609	5.067	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C3=NN=C(Nc4cc(C(F)(F)F)ccc4Cl)SC3)c2C)cc1	12565241	SWGALQDCLZCRPT-UHFFFAOYSA-N	476.955	6.994	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12	13940570	SKUPBWOIVLHIRW-BKUYFWCQSA-N	470.015	6.302	10	40	JKCB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)c1	19793074	WIRICJGDVHQDQE-AWEZNQCLSA-N	461.480	6.158	10	40	JKCB	
CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(OC)cc2)cc1	20529086	SZGUWLDVMTURRF-JVQXZJFYSA-N	462.634	5.450	10	40	JKCB	biogenic
Cc1ccccc1OCCOc1ccccc1/C=C1/C(=N)N2N=C(C3CCCCC3)SC2=NC1=O	41076381	JINFTNKWVDCRGI-XVNONNMFSA-N	488.613	5.652	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc(Cl)c1	100525212	AFLKVIDHAOYYLC-GSWFEHRJSA-N	474.771	6.101	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1F	223856838	YGIZVQVQYQMMMD-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N(C)C)cc1	223860779	OZJHSWLGXILRRV-SXOMAYOGSA-N	483.641	5.438	10	40	JKCB	
O=C1NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1	408533674	ZUGNSEJNQNMOGG-AUWJEWJLSA-N	475.216	5.824	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1Cl	408573316	JUZXLJSHZXEIHG-STZFKDTASA-N	480.998	5.763	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2Br)cc1	408762275	ALZOANCFYHJILD-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2c2ccc(Br)cc2)cc1	408766243	STNQTXQHIJSLJJ-CIAFOILYSA-N	486.196	6.899	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)ccc1OCc1cccc(Cl)c1	408811118	KEIFQVGPCMFKMN-FYJGNVAPSA-N	490.943	5.211	10	40	JKCB	
Cc1cc(C(=O)O)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408985402	LUOGRTUITMDCOF-XDHOZWIPSA-N	450.321	6.471	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409013742	NXWLRIOWAUSTPN-YSMPRRRNSA-N	489.015	6.748	10	40	JKCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	409075080	TXXHXVUERFWHQZ-PKAZHMFMSA-N	465.528	5.993	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br	409126003	KYHIHONXOWPQPV-QAEAHILHSA-N	487.419	5.075	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC(=S)N1c1ccccc1	409128185	HQIFSEJEYLJXHP-JLPGSUDCSA-N	474.582	6.265	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	409181106	WOAMWWRPNOXCIU-GRSHGNNSSA-N	473.934	6.152	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OC	409326349	ARYHDKIVDDIPGT-BOPFTXTBSA-N	464.406	5.258	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)C(=O)NC2=S)cc1	409379500	WWBPWRDDVFOZOW-FYJGNVAPSA-N	494.016	5.150	10	40	JKCB	
Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)ccc12	3355576	AFHMMPDRUXDEKQ-UHFFFAOYSA-N	453.441	5.372	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	8821876	SQIJNUFAEPZPTG-PXLXIMEGSA-N	494.960	5.301	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)c(OC)c1	8821883	CFICGCWNYOQVLQ-CIAFOILYSA-N	465.487	5.263	10	40	JKCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1	8838008	YBZUPMFTBVPCFL-LVVYQOBDSA-N	490.629	5.717	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)o1	8843029	JJESQDCQXWLGQZ-WQRHYEAKSA-N	485.374	5.210	10	40	JKCB	
Cc1cccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1C	8997383	IEOPFQKVGUHEFN-LFVJCYFKSA-N	497.551	5.823	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(Br)cc1O	9296293	DBVANUMRQVTRRK-YVLHZVERSA-N	456.427	5.335	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1F	12285333	VBTJBCGGPIGNPI-DEGVDWGGSA-N	485.540	5.718	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O	12285424	CHLBJHFCBQDXLE-KQWNVCNZSA-N	482.026	6.512	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1C1CCCCC1	12868232	OCXBGHNELHAQDE-HYARGMPZSA-N	472.501	5.233	10	40	JKCB	
CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4ccc(N(CC)CC)cc4)nc3c2)c1	16678578	HLHVINUWUCHZDD-UHFFFAOYSA-N	473.573	6.391	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3o2)cc1	16678580	KVENWBJVGVKRCD-UHFFFAOYSA-N	498.808	7.009	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)o1	17167226	ZOPVVNIAMATOKS-WNFQYIGGSA-N	497.912	5.572	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccc(C)cc1)N1CCN(C)CC1)c(O)c1ccccc12	22810530	OVIQPWKDDJYIAB-SANMLTNESA-N	472.585	5.422	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)c(C)c1	33584164	WGUACTLSDBODAZ-VKPUNFQASA-N	459.619	5.910	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1	35042710	FBROYAAPOUCILK-BUVRLJJBSA-N	457.555	5.615	10	40	JKCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	41076342	INPPTKDDQWCRSX-YGLSYQFESA-N	487.673	6.807	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)ccc4C(C)C)c(Cl)c3)C(=O)N=C2S1	41083653	LTJZDSGSXBMUNF-ZDSURBCBSA-N	496.032	6.397	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1cccc2ccccc12	58822194	ILZXRWSCOHKAPR-WGOQTCKBSA-N	496.994	7.277	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccccc3F)cc2)SC(=S)N1c1cccc(Cl)c1	59418126	TTZLLZZPGNRTAW-CIAFOILYSA-N	455.963	6.464	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(N2Cc3ccccc3C2)cc1	95925752	ALYRLUGGOONALC-XDHOZWIPSA-N	494.403	5.345	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1	101408070	AWGSQHPFBFJFMK-QEFMBMMRSA-N	487.599	6.546	10	40	JKCB	
COc1cc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)c(OC)cc1/N=N\c1ccc(N)nc1N	104229755	GUAWFFBKFCAZJW-LYJPHZJBSA-N	491.295	6.309	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106761125	HSOCLRGVDZBBGN-XKZIYDEJSA-N	487.408	6.516	10	40	JKCB	
O=C1/C(=C\c2c(Cl)ccc([N+](=O)[O-])c2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113830512	UJJGANOWVAUENV-NTUHNPAUSA-N	456.288	5.216	10	40	JKCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222785874	KCBKNAYOLKNBSC-RTWAWAEBSA-N	455.425	5.244	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(O)cc1	223859319	OCGZAJKTKNTSDJ-JWQCQUIFSA-N	456.571	5.077	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225342768	NNPFVMODZXXREF-FQLXRVMXSA-N	496.680	6.762	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S)c1ccc(Cl)cc1	408603522	RLPQZSDKULPHOK-VCHYOVAHSA-N	476.913	5.424	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C/Nc1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C	408757446	NJACPQLWLFXJQA-UDWIEESQSA-N	464.913	5.078	10	40	JKCB	
Cc1ccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	408783960	OWYIBDWPOUXVDG-WPWMEQJKSA-N	490.559	6.010	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c1	408820569	YQZGWCSSCDMBQX-RGVLZGJSSA-N	481.980	5.335	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3Cl)cc2)C1=O	408870447	DTYLAHRRDOERBP-DEDYPNTBSA-N	465.336	5.559	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	408999261	UJIBQPDNGCJKJI-ONUIUJJFSA-N	496.563	5.198	10	40	JKCB	
CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C1=O	409126709	MRUUWGRKMSAWIL-BKUYFWCQSA-N	454.552	5.049	10	40	JKCB	
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)cc1	409328551	XLFMVUTZPAFOOG-LPYMAVHISA-N	490.537	5.443	10	40	JKCB	
CN(C)c1ccc(NC(=O)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	409331029	CAGRLMWBTIQHTE-UHFFFAOYSA-N	457.537	6.799	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O	409332394	QLYOFHZGODLFLP-HZHRSRAPSA-N	463.603	5.394	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC	409351167	ZUMAPCAQZJVYRN-PDGQHHTCSA-N	478.433	5.961	10	40	JKCB	
Cc1cc(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2F)c(C)n1-c1ccc(F)cc1	3338668	ZMAWPURIWTYOQJ-UHFFFAOYSA-N	494.563	5.446	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=O)N(c4cccc(Cl)c4C)N=C3C)o2)cc1[N+](=O)[O-]	4489442	ZCBIHBIFZXDVHW-SFQUDFHCSA-N	451.866	5.631	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nc([C@H]3CCCO3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	8728286	UEFMCJJHERYJSD-RDTXWAMCSA-N	462.522	5.029	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(Br)c1	8819684	OEQVPFFOCLHKSB-RGEXLXHISA-N	489.460	5.849	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3ccccc3OCCOc3cc(C)ccc3C(C)C)C(=O)N=C2S1	9041685	QPQYTJVQCBXQFZ-UCXLZHGVSA-N	476.602	5.605	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1C	9309581	GGNGRMOBDQQNQA-VZHDZHPESA-N	471.561	5.518	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1	9311290	HXEJAIWTYWRITP-HMMYKYKNSA-N	479.448	6.234	10	40	JKCB	
COc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(c4c(C)cccc4C)C3=O)cc2)c1	9720761	SOMKAIUCWMHQHC-JLPGSUDCSA-N	491.634	6.176	10	40	JKCB	
CCCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)NN(c4ccc(C)c(Cl)c4)C3=O)o2)ccc1Cl	32109773	DQHQFMYQTHUKTM-UYRXBGFRSA-N	499.350	5.590	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCOc2c(/C=C3\SC(=S)N(CC)C3=O)cccc2OC)cc1	33430448	OICJCZRPDLFEAC-CNGOPUHISA-N	485.671	6.278	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc1OC	35039386	VKLSBGXHFJOQQB-HEHNFIMWSA-N	479.664	5.891	10	40	JKCB	
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OC	58847271	FYCYJJBKGLXZOJ-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58847826	LJMBOKCCIUGZLI-GLDPYIMESA-N	489.399	6.760	10	40	JKCB	
Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	58851367	JZQIPVXBEHBGML-IMWIBFENSA-N	456.800	8.052	10	40	JKCB	
CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12	59418663	MBEVHRDJRZGVBW-XSHNFFKBSA-N	497.554	6.242	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	107963720	ANFVHOQGEQADPC-XYGWBWBKSA-N	465.509	5.016	10	40	JKCB	
COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Cl)cc1	107965918	XXTMOHPIWOBFQE-UDWIEESQSA-N	469.324	5.042	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)c1	224229792	NMDMDMKUVVACRM-FTJBHMTQSA-N	489.044	6.334	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224266340	DKGAFOVPFVCXCC-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225019943	HPRFSJUCRVOFRP-RPBOFIJWSA-N	465.066	6.366	10	40	JKCB	
CCCCN(Cc1cc(C)n(-c2ccccc2)c1C)C(=O)c1ccc2sc(Cl)nc2c1	225986006	XNIKAAGQZZWNEK-UHFFFAOYSA-N	452.023	6.800	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)c1	260914839	HOTRQZAHGANMMK-CLJLJLNGSA-N	470.642	5.899	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)SC(=S)N1c1ccccc1	408903158	VAGKRCIRCKFSFM-WOJGMQOQSA-N	476.804	6.768	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1	408986312	PPUCYBQNIWBSEP-XSFVSMFZSA-N	450.365	7.172	10	40	JKCB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	409101886	ZEIASJRWDBSVEM-OEAKJJBVSA-N	493.560	5.307	10	40	JKCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1	409227880	SJBDQWQPRWEMJF-RGVLZGJSSA-N	496.928	5.282	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)SC2=S)c1	409340605	ABFYUOHNCPDOAQ-BUVRLJJBSA-N	488.634	6.035	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21)c1ccc(Br)cc1	713199	YKJMQPTYJSHAOV-VVIORFSUSA-N	490.397	5.642	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c(Br)c1	843247	QBILDHIFTHDTGC-BOPFTXTBSA-N	485.721	5.337	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc(C(C)C)cc(C(C)C)c2O)c(C)n1-c1ccc2c(c1)OCCO2	3362318	LHDHJTLPIBGQPX-UHFFFAOYSA-N	491.584	5.857	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC(=S)N1c1ccccc1	8451296	LSAHUJDMLFISJO-OEAKJJBVSA-N	461.011	6.749	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1cccc(Cl)c1	8989942	NPJZTPJBRDPDFY-MTJSOVHGSA-N	472.418	6.978	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)SC2=S)cc1Cl	9188593	YUYRHBRWOFWOAF-PFONDFGASA-N	465.781	5.139	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N21	9308389	BXBSTSZOBINBLD-SDHOMARFSA-N	471.915	5.502	10	40	JKCB	
COc1cc(/C=C2/SC(=S)NC2=O)ccc1OCCCOc1cc(C)ccc1C(C)C	9678639	KRIFUXNIOCJJFQ-HYARGMPZSA-N	457.617	5.464	10	40	JKCB	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)/C=C/c4ccc(Br)o4)n3)c2C)cc1	12546821	BBOOVBHAURLCRD-PKNBQFBNSA-N	482.403	6.533	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C	16700650	ADNBPPLQADBJOR-KUOTXRDYSA-N	491.638	5.237	10	40	JKCB	
CCOc1cc(Br)cc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O	17085962	NLEGVGSCSJKPRL-WYRIXSBYSA-N	479.440	5.620	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SC(=S)N1c1cccc(Cl)c1	33441427	BGDQDHHGAHBLNR-FMCGGJTJSA-N	479.001	6.888	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	34706030	VSEXALOVSCNZIN-UNOMPAQXSA-N	492.428	5.450	10	40	JKCB	
Cc1cc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)ccc1Br	59861771	RPMIVDILZXXWQZ-GZTJUZNOSA-N	496.273	5.432	10	40	JKCB	
Cc1cc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)cc1Br	139070178	GAFVSQCEPUXDEH-UHFFFAOYSA-N	455.352	5.269	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4ccc(Br)cc4)=NC3=O)cc21	208455057	CFLKRLRZPMROOT-MTJSOVHGSA-N	482.447	6.472	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)C2=O)cc1	208475329	WBBFDPWTLWBJGG-UDWIEESQSA-N	479.964	5.037	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4cccc5ccccc45)c3C)N21	222693839	ZBCARHXODNSYBK-GCCWUPBUSA-N	452.627	6.622	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc21	223519506	BIWARWYRZOKNGI-QFEZKATASA-N	460.643	6.950	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(O)cc1	223897638	BAPVCJNVTNDWPH-RRPNLBNLSA-N	483.641	5.438	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224207021	CHEDYGAKYFUBRY-RRPNLBNLSA-N	482.609	5.703	10	40	JKCB	
Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1	224278993	WCMRJKDCWUGBNV-UZPCJBMISA-N	473.642	5.695	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)cc1	224341901	ZUKJCVNSINQLAO-SVBPBHIXSA-N	467.642	5.932	10	40	JKCB	
CCCCCCOc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	408539683	JJPPFFJRKQALAB-ATVHPVEESA-N	477.413	5.784	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	408742411	OTXYCOIZZUFNBK-RGVLZGJSSA-N	467.348	6.871	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)c(Cl)c3)C2=O)cc1	408868892	PUJKEHCRAVIJFO-OEAKJJBVSA-N	474.944	5.223	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(Cl)c1Cc1ccccc1F	408869350	CAUMHLVXHOJESB-UDWIEESQSA-N	492.934	5.443	10	40	JKCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1	408966353	MAETYQUXIFTAMO-MHWRWJLKSA-N	475.328	5.532	10	40	JKCB	
CCCCSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12	409043786	ZOQUIDUVSUSSRW-SFQUDFHCSA-N	490.497	7.234	10	40	JKCB	
Cc1ccccc1OCCCn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21	409128314	IBRRNRHKWDDXTJ-ITYLOYPMSA-N	484.646	6.825	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c(Cl)c1	409145335	OKZSVXGNYJSYMY-OVCLIPMQSA-N	457.791	5.501	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)o1	409161526	UZHAXVRQJCJERU-JAIQZWGSSA-N	496.928	5.282	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl	409240373	TUDBBSJQCNOJTP-BPKVKKHESA-N	463.386	5.310	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c(OCC)c1	409340416	WSYOSESRBBZTSI-GIJQJNRQSA-N	498.851	6.306	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC(F)F)c(OCC)c3)SC2=S)cc1	409358246	KVGJQXORQXOICN-PDGQHHTCSA-N	451.516	5.491	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1Br	409360865	QKDOUJLXPBUKKA-YVLHZVERSA-N	496.224	5.514	10	40	JKCB	
Cc1cc2c(n1-c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CC(C)(C)CC2=O	2561847	SABUGCGWCAYKIM-UHFFFAOYSA-N	455.480	6.604	10	40	JKCB	
Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1Cc1ccccc1	3305015	PBODBUVBTBCLKE-UHFFFAOYSA-N	482.556	5.619	10	40	JKCB	
Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1C	8820138	FUSYWRQGBIZFAO-QNGOZBTKSA-N	473.063	6.357	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	9009477	YGHHAFOYBFPGEP-SDHSZQHLSA-N	498.922	5.271	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5F)c4C)C(=O)N=C3S2)c1	9307350	GJYLNOKLWZIZAT-KAGZEXGGSA-N	457.534	5.209	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	14009539	LLEDGOUCZSMMJP-UUYOSTAYSA-N	464.949	5.522	10	40	JKCB	
CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3cc(C)ccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O	16000560	YWVAKEKOPYBZNG-IARZGTGTSA-N	477.560	5.416	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1	17056514	SHDHFGYBODAZAO-MHWRWJLKSA-N	472.240	5.668	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	33850700	YWHAQGWJQVJSGF-GFQNLOEMSA-N	477.952	5.554	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)S2)cc1	34857128	QRDLIRQTNHMTFD-LPYMAVHISA-N	497.389	6.558	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)S2)cc1	35042652	SUOZIESRUKUEDW-NLRVBDNBSA-N	456.611	6.999	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59418241	YNQKVPHDXTVJDZ-FYJGNVAPSA-N	466.515	5.719	10	40	JKCB	
O=C(Nc1cccc(Cl)c1)c1cc2cc(/N=N\c3ccc(Br)cc3)ccc2oc1=O	104282127	YMIZLEMFGXBZKS-RQZHXJHFSA-N	482.721	6.877	10	40	JKCB	
Cc1ccc(COc2ccc(Br)cc2/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1	107635521	FHJPFWJBBHWFAQ-OEAKJJBVSA-N	493.426	6.727	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC(=S)N1c1cccc(Cl)c1	113834445	VSDUSYABVIVDOP-MFKUBSTISA-N	488.033	7.478	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc21	208446661	NUNCBMFVFSPSKL-LICLKQGHSA-N	470.356	5.292	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1cccc(Br)c1	222920887	HRHYETPWTPARBI-XZOQPEGZSA-N	483.479	5.880	10	40	JKCB	
COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	223007185	XZLKMIBLFCBELI-FGZHOGPDSA-N	474.552	5.127	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1C(=O)O	223099467	VJYWGHHUPDWMNI-LOSJGSFVSA-N	474.630	5.493	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c1	223501493	GKEASMFUWUHFSX-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c(C)c1	224437062	FSJQWQRSHFOTOJ-XTEPFMGCSA-N	484.644	6.731	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[C@H](C)CC1(C)C	260562690	BHBOTBGVTWHNGG-SUVVMJBMSA-N	452.595	6.563	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(Cl)cc3)C2=O)cc1	408754756	IDPWGUYPZOMVKO-DEDYPNTBSA-N	481.733	5.635	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Br)c1	408758858	SOSLKPZPLNOLDE-UDWIEESQSA-N	461.315	5.321	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)C)cc3)C2=O)cc1OC	408759290	BLJGQBRCBBWIST-PXLXIMEGSA-N	459.973	6.952	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1C	408801111	TVCRACYADULOGH-WPWMEQJKSA-N	476.532	5.702	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1Cc1ccccc1F	408866950	IODAAQCWAFQKHO-VXLYETTFSA-N	499.325	5.398	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl	408891883	DRCFABMWKVKMLG-WJDWOHSUSA-N	481.173	6.023	10	40	JKCB	
CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1ccc(OCc2ccccc2Cl)cc1	408973726	QFCJXBWHVGPKNL-HMAPJEAMSA-N	451.353	6.374	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	409039219	QXAWPSSNUZZHAC-GHXNOFRVSA-N	487.211	6.755	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409061428	XBIVQXKFDWNEBU-OYKKKHCWSA-N	474.988	5.929	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccccc2OCc2ccc3ccccc3c2)SC1=S	409193167	DIBRXPQBYYNEPH-XYGWBWBKSA-N	470.619	6.375	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc5c(c4)OCO5)C3=O)o2)c([N+](=O)[O-])c1	409203012	UEKMHVWQRIKHJV-KEBDBYFISA-N	466.496	5.298	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1I	409333456	SLAIKLGXBQWMGU-LICLKQGHSA-N	481.380	5.322	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1OC	409338366	IRNUZNQVCQPVDF-WOJGMQOQSA-N	478.433	5.879	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(Br)c(OCC)c(OC)c3)SC2=S)cc1	409346499	LCAQXVAOBSWRCN-LDADJPATSA-N	494.432	5.661	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@H]45)[C@@H]32)cc2c1oc(=O)c1ccccc12	524731064	JBZWXYXSJXSYML-YXVKNGOVSA-N	470.613	5.355	10	40	JKCB	biogenic
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)cc1Cl	3464479	QQZJNDKMDGRWAI-KEBDBYFISA-N	492.919	5.779	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Br)c1O	9232279	HCOWNAUYIFMERL-CXUHLZMHSA-N	450.379	5.186	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3cn(CCOc4ccccc4[C@H](C)CC)c4ccccc34)C(=O)N=C2S1	9355029	BALBTGVDMXUTDN-KHOBFMNGSA-N	499.640	6.263	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	9762121	PVHQKPYYAUQOCX-FYJGNVAPSA-N	462.933	5.088	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	12285376	AZDLDOXVLZZACI-QPJVQXSBSA-N	477.952	5.554	10	40	JKCB	
Cc1cccc(C)c1OCCOc1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	13785518	BAHRITVTIBNNDK-ZEAYLUBASA-N	495.604	6.066	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1Cl	17086230	TZJJUQNEEKXQKR-NDENLUEZSA-N	483.351	5.433	10	40	JKCB	
Cc1cccc2c1Oc1ccccc1[C@@H]2N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	17300229	VYAUALQNJWTMTL-ATEMXAKRSA-N	459.548	5.820	10	40	JKCB	
COc1cccc(OCCOc2ccc(Cl)cc2/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1	32109555	YLDQXKJPYBQPBC-JEFAYZQISA-N	498.992	5.082	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C(=O)N=C2O)ccc1OC	33420138	GQLYJQSCCOCYSI-HAHDFKILSA-N	486.524	5.488	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	33851073	KMICXPZZWRMDHK-DOELSWKASA-N	491.979	5.749	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	41108240	XXLSJMYEMKKYPB-DDSBZIKFSA-N	487.560	5.218	10	40	JKCB	
CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(OC)ccc1OC)N2	58846122	ANRJRLFIWVOUCG-TYPXCFOJSA-N	490.625	5.894	10	40	JKCB	
O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58847200	JKTDUDQVYZHWAI-XLNZFTOWSA-N	454.954	6.106	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc(Br)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208224299	VHOIUIQAWIMUAJ-BDQMVGTNSA-N	499.474	6.716	10	40	JKCB	
Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)C(C)C)c(C)n1-c1ccccc1	222556520	ILMVIONJUQRGCY-UHFFFAOYSA-N	463.025	6.729	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223053828	ATJZULMSLIFCFP-GOTSBHOMSA-N	455.027	5.152	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224253411	MFVWTUMRPZKSNG-KAYWLYCHSA-N	496.636	5.761	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3CC)c2C)cc1	224334860	RNLUZOPEUWIUIQ-FQLXRVMXSA-N	480.681	6.791	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224373588	GUYLZMBOWFLDEJ-IZLXSDGUSA-N	481.669	6.493	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224606883	RPLBPHZEYIHOSO-SXOMAYOGSA-N	468.626	5.989	10	40	JKCB	
Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1F	224901388	COGWSAQAGFCAJF-VSGBNLITSA-N	499.659	6.180	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)cc21	225498157	KWNOBHLNDRQVMS-KAYWLYCHSA-N	497.668	5.325	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	260917935	KBOOKPSUZMVKNS-LOSJGSFVSA-N	456.615	5.596	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(F)cc1	408769706	ZVHBFXYGGMOUPW-FYJGNVAPSA-N	494.906	5.123	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	408813930	FZEQQVJUGGCBEJ-XKZIYDEJSA-N	452.963	5.993	10	40	JKCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1	408816738	SDKYDLVSTVNHBF-HYARGMPZSA-N	474.944	5.511	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OCc2cccc(Cl)c2)C1=O	408883078	TVFXTCLEDIHNNH-HMAPJEAMSA-N	490.943	5.156	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Cl)c1	408892807	CONJOZODDRIMID-FYJGNVAPSA-N	460.917	5.202	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)cc3)C(=O)NC2=S)cc1	408991307	QDJBREZQLARNBL-BUVRLJJBSA-N	486.593	5.031	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409010476	KPVLPNIELCTUTP-KQWNVCNZSA-N	490.987	6.023	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022860	GWQJVEOIMZRDNS-IWIPYMOSSA-N	473.956	6.105	10	40	JKCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	409055955	QNLUQHMXSBHULH-MTJSOVHGSA-N	470.997	5.475	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccccc2F)SC(=S)N1c1ccc(F)c(Cl)c1	409176404	MNDOSLNYOYHTPM-SRZZPIQSSA-N	473.953	6.603	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1OC(C)C	409207572	WURQHIKIGQPXTN-YBFXNURJSA-N	478.433	6.041	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC	409344062	FFAGEZQNALBGPC-YVLHZVERSA-N	498.851	6.306	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1	409345351	LKGHWOBCQXEVAI-VXLYETTFSA-N	490.389	6.666	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	9159585	INPPTKDDQWCRSX-ICTWZOEXSA-N	487.673	6.807	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12	13940931	IMOWYUACIIXSAS-LFVJCYFKSA-N	482.923	5.739	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4ccc(C)cc4)c3)C(=O)N=C2S1	32109554	UJMMOXRJZZVTTB-JUIDXRIDSA-N	462.575	5.262	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58848010	GWPQPVOLZMEOOH-BPYKYCOYSA-N	468.981	6.415	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2	58849611	VFTRWOSFOQNDAB-LZCXECNNSA-N	481.017	6.284	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4OC)cc3[C@H]3C=CC[C@H]32)cc1	58849766	KMBDUQOEQDJTAD-SXDGJLEOSA-N	490.625	6.030	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(-c4nc5ccc(C)cc5s4)cc3[C@@H]3C=CC[C@@H]32)cc1	58851177	VOKRJMAAZSWXDV-SWYRRKHMSA-N	452.579	6.885	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)c(C)n1-c1cccc(Cl)c1	59198360	SJIZCLNNIBXYGY-KEBDBYFISA-N	498.764	6.017	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	101658295	LMJPDQVQMZSFCV-YBEGLDIGSA-N	475.715	6.411	10	40	JKCB	
O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422628	DBXWPKKZNNBSJU-REZTVBANSA-N	467.443	5.442	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c(C)c1	224272090	IIRHUOIVNYBAHV-PQHLKRTFSA-N	494.708	7.208	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1	225669856	AYIOIYRDCGMDEF-CABCVRRESA-N	450.421	5.872	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408765719	NKCBTJBENXITRN-CJLVFECKSA-N	472.013	6.764	10	40	JKCB	
Cc1c(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c2ccccc2n1C	408808092	DCLXSQDEDCHTCY-UHFFFAOYSA-N	451.551	5.235	10	40	JKCB	
COc1ccccc1/C=C1/N=C(c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C1=O	408840913	GHLGZICRUJPLGE-XSFVSMFZSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1F	408886029	CWNSNWZWNIVODA-KGENOOAVSA-N	488.515	5.087	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2C)c(C)c1	408917086	MHOXYWKQSVWSIH-YDZHTSKRSA-N	461.543	5.856	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c(C)c1	409178035	DNOGMDWBHOWWPU-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
C[C@@H](C(=O)O)n1ccc2cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)ccc21	409195153	PRVSZYPKZRQGCS-SFHVURJKSA-N	495.560	5.035	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)NC2=S)cc1Cl	409223421	FQZCQNWARSCLPY-KEBDBYFISA-N	484.408	5.541	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409339788	YLSVVRIYYKBPOR-OEAKJJBVSA-N	492.578	5.897	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	409343476	HSTAGAOCTZOQMP-ZDLGFXPLSA-N	496.437	5.958	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OC	409346395	KFCXRBQIFFOVMQ-DHDCSXOGSA-N	470.797	5.526	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O	409356940	OTJHOMSQZDULGG-CIAFOILYSA-N	469.994	5.232	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1	409369541	CPVHDRAMJMONFM-CPNJWEJPSA-N	470.472	5.359	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)c1OC	2447216	VSXKWPPRVGIPBY-NVNXTCNLSA-N	459.898	5.782	10	40	JKCB	
Cc1nc(SCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c2c3c(sc2n1)CCC3	3267133	SXYNMQFFJSAZKO-UHFFFAOYSA-N	451.592	6.010	10	40	JKCB	
Cc1ccc2nc(-c3ccc(-n4c(C)ccc4C)cc3)cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c2c1	4121891	ONHSTSFLMLEYLZ-HSZRJFAPSA-N	488.587	7.046	10	40	JKCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1	8820939	HTKXOPORQPXZLB-PXLXIMEGSA-N	451.979	6.529	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(OC)c1OCCOc1ccccc1	9144678	ALYBRXKLNYEHMC-JCMHNJIXSA-N	497.594	5.156	10	40	JKCB	
CCCCCCc1ccc(OCCOc2ccc(/C=C3\SC(=S)N(CC)C3=O)cc2)cc1	12349770	XCIFSZFIEWNGSR-CLCOLTQESA-N	469.672	6.488	10	40	JKCB	
CCCCc1nnc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)s1	12377611	UBNUQKLRHPUKIT-NTCAYCPXSA-N	481.068	5.154	10	40	JKCB	
O=[N+]([O-])c1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccc1N1CCCC1	15979483	HESPPXJOBXYQIN-UHFFFAOYSA-N	484.606	7.003	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(Cl)ccc3N12	16007288	YFAQUBVEBMOEIZ-UPRLRBBYSA-N	496.006	6.486	10	40	JKCB	
CCOc1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	20238616	NJMSRGOVATWVSV-BKUYFWCQSA-N	466.540	5.655	10	40	JKCB	
Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)n1C	21125610	VTBNRKYWLSSRGU-UHFFFAOYSA-N	472.517	5.367	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3/SC(=S)N(c4cc(C(=O)O)ccc4C)C3=O)cc2)cc1	35039467	OPPPLAWCPYOWCI-YDZHTSKRSA-N	475.591	5.986	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)N(c3ccccc3)N=C2C)c1	35446685	YSTYQEOLSFDFFH-ZXVVBBHZSA-N	462.553	6.134	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	41083074	KGCZTQNLWJZSDV-XSBGCYDXSA-N	488.444	6.600	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	59474889	PZWRXIBFCKKHAE-LHLOQNFPSA-N	494.572	5.597	10	40	JKCB	
O=[N+]([O-])c1cccc(CN(/N=N/c2nonc2-c2ccccc2)c2nonc2-c2ccccc2)c1	59483506	UQTWNUDLLVGFJW-RMLRFSFXSA-N	468.433	5.400	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccc(F)cc1	83293634	NPZJGXLZUJRLRU-WQRHYEAKSA-N	496.423	5.787	10	40	JKCB	
Oc1ccc2ccccc2c1[C@@H]1O[C@H](c2ccccc2)[C@@H]2CO[C@H](c3c(O)ccc4ccccc34)N12	104108709	SICXCYIEZLITKY-ZWZQZIPJSA-N	475.544	6.574	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(C(=O)O)c1	223099605	GVVYTXMNDIIQQI-JWQCQUIFSA-N	474.630	5.493	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466960	FGPSYBYDNFTNQE-CLJLJLNGSA-N	497.624	5.063	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223798995	YSZOIGZCDWYRJM-SVBPBHIXSA-N	484.625	5.771	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223862454	OGLUFZDRXYEBCV-KAYWLYCHSA-N	468.626	5.989	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)c2C)nc1	225049685	RLOSCQCMPHVEHR-VSGBNLITSA-N	496.684	5.667	10	40	JKCB	
CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21	225730792	WHFMNLGFTDCVOR-UHFFFAOYSA-N	487.002	5.158	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNc1cccc(Cl)c1Cl	408527141	CUEXZHAPXOXHNA-LCYFTJDESA-N	454.155	5.287	10	40	JKCB	
CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O	408535429	YTHUECUPHBRWBP-VBKFSLOCSA-N	491.769	5.256	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C2=O)c1	408774950	YZWRTLCWGBIVIG-XIEYBQDHSA-N	461.521	5.428	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12	408895032	SUQPICQDJFVJAS-XQNSMLJCSA-N	482.923	5.739	10	40	JKCB	
C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	408998852	CJTDQIORPJVSQA-TWVGJNAVSA-N	488.588	6.539	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)C(=O)NC2=S)c1	409016134	SKJQTBCNMCPUSN-XDHOZWIPSA-N	498.435	5.849	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCC(C)C	409046902	LJILYDRFNIIEMM-RIYZIHGNSA-N	468.422	5.622	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc12	409344398	JCHRJKATINTDNY-XDHOZWIPSA-N	454.960	5.048	10	40	JKCB	
COc1ccc(C2=C(/C=C3/SC(=S)NC3=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC	2269971	SQRVYQAWBZXHPY-BCGDRIGESA-N	487.602	5.671	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)C(=O)N(c3ccccc3)C2=S)cc1	3143537	SWVJOYMSJIWYPD-ZTKZIYFRSA-N	498.607	7.050	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C)cc1	9188528	WFPCPCGGNMKJLF-UCQKPKSFSA-N	465.571	6.128	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccco3)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	9210216	ANVHSQJMEHMYID-BTSLSPDOSA-N	476.558	5.478	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cccc(OCc4c(F)cccc4Cl)c3)SC2=S)cc1C	9233033	UURDSDDWKNHSFK-YDZHTSKRSA-N	484.017	7.081	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21)c1ccc(-c2ccccc2)cc1	9380722	AWGSQHPFBFJFMK-KECVVUEUSA-N	487.599	6.546	10	40	JKCB	
CC(C)(C)c1ccc(OCCCn2cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c3ccccc32)cc1	9730831	MHBZMNUKTYQYQT-UREHTDJCSA-N	484.625	6.185	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)SC2=S)c(C)c1	13546261	RUHRGJMWINLPBH-VIZOYTHASA-N	465.350	5.086	10	40	JKCB	
Cc1cc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)ccc1Cl	13893370	ZLQWXXZHRMULMQ-CCHDUMJESA-N	482.993	5.381	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)c1	58848867	HLQQXNAZMFRBAM-BXTSTYNKSA-N	488.653	6.620	10	40	JKCB	
Cc1ccc2nc(Sc3ccc(/C=C4/C(=O)N(c5ccccc5F)C(=S)N=C4O)o3)[nH]c2c1	59139120	DBOSFCZEAUIPSI-SDNWHVSQSA-N	478.530	5.426	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc21	208467698	OWIXUTOWRYJEGW-NHDPSOOVSA-N	482.005	5.647	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc2[C@@H](C)CC1(C)C	223585761	GLUWKMALWDPOMG-ICODJCHTSA-N	495.620	5.921	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223799367	ZNLYQPDEZVVQGF-WUFINQPMSA-N	498.652	6.074	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224203288	LKYFSMFTECCACR-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)cc1C	224271242	JFVDTEWQXRUTGN-URLMMPGGSA-N	480.681	6.900	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)c1	224306187	VKSVALJLNXYOGD-JDXGNMNLSA-N	494.708	7.208	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224404122	LXCYMJGKTFVEAY-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccc(O)cc1	224604577	SJLVJBPFQMZWED-LOSJGSFVSA-N	456.571	5.077	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)c(OC)c1	408752744	JWEVOIWYFOBJBG-CIAFOILYSA-N	497.776	5.954	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2F)N1c1ccc(Br)cc1	408767373	WFDLGJYBNFYPLJ-RGVLZGJSSA-N	490.159	6.730	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)cc1Cl	408800741	PBSSPTDLELMGMM-VXLYETTFSA-N	499.325	5.686	10	40	JKCB	
CCOc1ccc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	408810597	KCDWPUQPAQTVGY-UHFFFAOYSA-N	462.958	5.487	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1OCc1ccc(F)cc1	408942669	ZXMORLFIXQOJMW-HZHRSRAPSA-N	458.489	5.245	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409060768	XSPRQFIKUNIBNP-HAHDFKILSA-N	458.533	5.414	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC(=S)N1C[C@H]1CCCO1	409079081	JQIXPZNLPXQWJT-GTNUZRKBSA-N	480.438	5.953	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S)c1cccs1	409200581	IJLHKTSERFJIFC-MHWRWJLKSA-N	480.514	5.573	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccccc4CC)C3=O)c2C)cc1	409235413	PMLSMLVRNAMWPN-OVVQPSECSA-N	498.627	5.531	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S	409331853	OVSMVVMKQPALIA-ZMOGYAJESA-N	493.028	7.196	10	40	JKCB	
O=C1/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)SC(=S)N1c1ccc(Cl)cc1	409334787	WGMRQKUDKSPFBJ-XYGWBWBKSA-N	488.033	7.478	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4cccc(C)c4)C3=O)cc2)c1	409345884	LSQIQVKUIUAQHV-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
CCCN1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S	2201891	RDFINKYSXODUDW-CYVLTUHYSA-N	479.627	5.396	10	40	JKCB	
CN(C)c1ccc([C@H](Nc2ccccc2)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1	2263558	VXBXCIQBQFDUGO-UYHPJTEGSA-N	491.616	6.882	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(C(C)C)cc4)C(=S)N=C3O)c2C)cc1	2397189	AWAZCGHNACTTLU-BUVRLJJBSA-N	457.599	6.198	10	40	JKCB	
CC(=O)c1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](c2ccccc2)CC3=O)cc1	2512864	UYFCGUBKSWEIMR-JOCHJYFZSA-N	484.393	7.022	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(C)n1-c1ccccc1F	3345784	MSGHMZODJIBCQH-UHFFFAOYSA-N	459.901	6.280	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1	8821807	BNJAXYPFURXJLC-PXLXIMEGSA-N	467.953	5.532	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3O)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	9220344	ZJTXJMNTOKUFHA-UHFFFAOYSA-N	470.501	5.161	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	9307411	LQTURPMVSIJPFE-IYYHIDBJSA-N	483.597	5.355	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	9309239	YDQVQJZPTKJACI-JWOXPMACSA-N	486.016	6.476	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)ccc1OC(=O)c1ccccc1F	13041291	GXVMVOYUEHPYTI-HMAPJEAMSA-N	462.502	5.444	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C	17145805	KJFXWSSVZJNVHQ-XSFVSMFZSA-N	461.562	5.776	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC(=S)N1c1cccc(Br)c1	17179817	VDIUBQKNWNBVBW-GZTJUZNOSA-N	498.314	5.289	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(C)cc2C)cc1	20288916	JEQWPSMXOCDKCD-MOHJPFBDSA-N	456.502	5.357	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(F)c2)cc1	20289077	RMLXIJZIFRQUKW-HAHDFKILSA-N	465.912	5.633	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccc(Oc3ccccc3)cc2)cc1	20289170	ASFWQSJFMTXQRO-RRAHZORUSA-N	493.538	6.764	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)cc2)c1	40940340	VNEDPDZBGVUONW-HYARGMPZSA-N	495.025	5.774	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)c1OC	58847435	HSVOWAMYNQNPNK-DFIYOIEZSA-N	497.016	5.985	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2	58849040	HQDGEROGIWWROC-OREGWCPLSA-N	460.599	6.021	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	144203907	ZTVTXORTMIQXCD-PKAZHMFMSA-N	498.579	7.053	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352796	HJJWUJQMJNVJNA-XNMGPUDCSA-N	470.642	6.126	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223501359	BZUHIKZDZGUPEB-AHKZPQOWSA-N	467.642	5.674	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3O)c2C)cc1	223798808	ZQYKYFKBGDVFCF-SXOMAYOGSA-N	484.625	5.771	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cc(Cl)ccc1O	224158873	SJQZAMUETJUMDE-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224235080	LEBNMIMAJVISCT-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(O)cc1	224434347	ZZBWNGLJDBKTES-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)c1	224531761	PGYMOCZZAKIBJO-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)ccc1F	224902167	XEGZUHQANYYAPZ-WUFINQPMSA-N	484.644	6.731	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c(C)c1	225019280	FYAPNXVITWYIEU-VPUSJEBWSA-N	458.675	6.330	10	40	JKCB	
Cc1ccccc1NC(=O)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1	225696314	GESTUXHTPWPNGC-VSGBNLITSA-N	495.652	5.490	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)c1	260568060	NFUGRHGWGFRRFJ-SKCQWOFPSA-N	451.954	5.037	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(Br)cc2)cc1	408841382	IPZWXBDXOKGIGX-RCCKNPSSSA-N	463.331	5.301	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccc(C)c(C)c1	408871520	YONUOFOHNDWWGO-JLPGSUDCSA-N	498.579	5.510	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1C	408916923	IVZKEQRYGSIHNG-LPYMAVHISA-N	461.543	5.856	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)cc1	409014845	LJPKASXCUGZHCI-YZSQISJMSA-N	484.600	5.277	10	40	JKCB	
CCCSc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc12	409038300	VEMWQUKFDRCRPR-LFIBNONCSA-N	476.470	6.844	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1	409080798	OGAGIBLKMANGNW-RCCKNPSSSA-N	497.370	5.023	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S)c1cccs1	409331752	OVHNHAHFTQXBCD-CXUHLZMHSA-N	481.407	5.861	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)ccc12	1565519666	GXXPLUVBLOAVED-NVQXNPDNSA-N	460.618	5.094	10	40	JKCB	biogenic
COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C)cc1)C(C)(C)N2Cc1ccccc1	1764594	JWSCMUJLKGJPGR-SGEDCAFJSA-N	458.652	7.281	10	40	JKCB	
C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S	2672459	XGOAWPFGXHOEEG-KJXVGZKYSA-N	491.037	6.219	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1ccc(Br)cc1	3131895	NAWXSRVWGYFMHX-OQLLNIDSSA-N	484.238	5.482	10	40	JKCB	
O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1)c1cccc([N+](=O)[O-])c1	6475281	AQWCLNCEJYOJNP-QQNWGBJXSA-N	461.521	6.827	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)o1	9234208	PKMWCKYDLNEMMF-RGVLZGJSSA-N	498.354	5.952	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C=C1c1ccccc1	9310069	SZTQJMROVGFZJD-XDJHFCHBSA-N	488.370	7.733	10	40	JKCB	
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)COCc4nc5ccccc5s4)n3)c2C)cc1	12587893	SDVPBYAOTWEPJW-UHFFFAOYSA-N	488.638	6.291	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1C	12652780	LCYSMSVKIRXULH-RGVLZGJSSA-N	470.959	6.531	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc1	13810484	SUIPJSRCTMCCQO-NKFKGCMQSA-N	464.656	5.068	10	40	JKCB	
O=C(O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S	26510015	WLUCYWJJFKSRAU-PDGQHHTCSA-N	492.416	5.094	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	33923328	WLNAUPRMHPYQQF-ANYROYSUSA-N	473.989	5.723	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5cccs5)SC4=NC3=O)c2C)c1	35107080	BIZFEOGHBPDKND-RKQNKVCSSA-N	459.600	5.326	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3cc(Cl)ccc3N12	35844001	BXBSTSZOBINBLD-UBFVSLLYSA-N	471.915	5.502	10	40	JKCB	
c1ccc(/N=N\c2ccc(/N=N/c3ccc(/N=N\c4ccc(/N=N/c5ccccc5)cc4)cc3)cc2)cc1	100368279	HXWHXECPBINUKM-DVCSKWIOSA-N	494.562	11.348	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(C(F)(F)F)c1	222815690	FPVSHXZVMZWPSO-FCHUYYIVSA-N	458.553	5.889	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	223012916	ATKBMJNMHWRCQH-VXKWHMMOSA-N	475.445	5.415	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1	224622136	UKWNGNHVYVSQHQ-DQEYMECFSA-N	456.571	5.072	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(=O)Nc2ccccc2)c1C	225503406	XQSRMPPAGZXBHV-IZLXSDGUSA-N	495.652	5.409	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O	408531448	KNZRSIQLKSWSIB-XQNSMLJCSA-N	455.558	5.042	10	40	JKCB	
Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccc4ccccc4c3)cc1)N2	408736519	XGTAVJRDXFKWLD-ALTZYDRJSA-N	482.421	8.008	10	40	JKCB	
Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)N2c2ccc(Br)cc2)cc1	408840060	ARLWZMWMVSIYDM-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1Cc1cc(C)cc(C)c1	408884542	UUGIQKCQAPCANI-YDZHTSKRSA-N	488.971	5.531	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCc1ccccc1F	408981755	BIQZHOZIYMPVQX-ODLFYWEKSA-N	494.906	5.042	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1	408983406	BNPPYBNAJWLGAP-LTGZKZEYSA-N	460.371	6.628	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1Cl	408987437	XQWNJTVNIDSOLS-LICLKQGHSA-N	485.049	5.780	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)SC1=S	409137539	VTORNLWYYSRNKN-GRSHGNNSSA-N	457.418	5.673	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O	409253739	VCQJLNOTIROBRV-FHHIAAGZSA-N	464.974	5.502	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)c(OCC)c3)SC2=S)cc1	409338403	JIMPXJYSLQTYJA-HMAPJEAMSA-N	457.617	5.925	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O	409339180	SNJFSDVAOYNVEJ-YVLHZVERSA-N	464.406	5.576	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c(C)n1-c1ccc(Cl)cc1	409343337	GUMHQNLGZGEGQM-WOJGMQOQSA-N	474.032	5.355	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCCOc2ccccc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409345979	MALLVFDHLLFOGO-JCMHNJIXSA-N	478.551	5.458	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc(OCc2ccccc2)cc1)C3	2114730	KYGNFEAXANMKDR-UHFFFAOYSA-N	489.571	6.628	10	40	JKCB	biogenic
Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(OCCOc5ccccc5C)cc4)C(=O)N=C3S2)cc1	3858722	VLLDPTIJHVEJGF-UREHTDJCSA-N	496.592	5.429	10	40	JKCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S	8857632	AMGMNRPHSRCDAE-NMWGTECJSA-N	480.699	6.276	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c1	9232779	CHBVOWWSRYPQOZ-VXLYETTFSA-N	484.873	5.443	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	9293407	BZDJMQVPLQRUPU-ZHSAXHDMSA-N	493.567	6.054	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C3=NN=C(Nc4c(C)n(C)n(-c5ccccc5)c4=O)SC3)c2C)cc1	12543373	UYGCLWLYZZZFGK-UHFFFAOYSA-N	484.629	5.119	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)C(=N)N12	13881192	CRUFOYZCEDDPGE-OUQLGABESA-N	488.794	5.848	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(Cc5ccccc5)c4C)C(=O)N=C3S2)c1	34889798	ZLURJPASUKCQIK-MNAJPBKWSA-N	483.597	5.160	10	40	JKCB	
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	58847510	WKQZHHDVVPVBLB-GLDPYIMESA-N	471.409	6.621	10	40	JKCB	
O=C1c2cccc(OC(=O)C3[C@H]4CCCC[C@H]34)c2C(=O)c2c(OC(=O)C3[C@H]4CCCC[C@H]34)cccc21	100289490	DIMAYDDWOJVDEP-XSLAGTTESA-N	484.548	5.145	10	40	JKCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NCc2ccco2)cc1	100304160	BBJAJWCPAGTPRX-XMHGGMMESA-N	460.584	5.366	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1-c1cccc(Cl)c1Cl	223271333	QTZLBMMLJZXULN-DHIUTWEWSA-N	488.488	5.330	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1	223394836	FXSGYCKKGSREHP-BWAHOGKJSA-N	459.615	5.134	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)c1	224021028	NOXLSRPCRQTLLK-IZZNHLLZSA-N	483.597	5.098	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C	224566953	ICSBGENMCMEAKS-IZZNHLLZSA-N	489.044	6.328	10	40	JKCB	
C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(N2CCCCC2)cc1	225586980	GEMYBOKLFNNFDE-LJQANCHMSA-N	458.021	5.559	10	40	JKCB	
COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2cccc(Br)c2)cc1	408756155	UFTGBMUQOZCQLW-LPYMAVHISA-N	493.357	5.309	10	40	JKCB	
COc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc(Cl)c1OC	408883104	UBLBLGGODNOAJS-UHFFFAOYSA-N	478.957	5.106	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(Cl)c3)C2=O)cc1	408891391	PYRXQLBSYSUSIU-XDHOZWIPSA-N	481.335	5.547	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)c1	408951905	MVUURSCTGVMNML-DHRITJCHSA-N	470.569	5.138	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C(C)=O)cc3)C2=O)cc1Br	408987809	YMNWXXQYUJLFTR-PXLXIMEGSA-N	488.381	6.522	10	40	JKCB	
COc1cc(C[C@@H]2SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1OCc1ccccc1F	409146671	SEMMGERNRZZBCZ-FQEVSTJZSA-N	491.993	5.631	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c(C)n1-c1ccccc1	409151077	GKFINZOAXREHGX-FYJGNVAPSA-N	467.388	6.093	10	40	JKCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O	409170427	VQSXQYBKBKDIJG-DEDYPNTBSA-N	457.393	5.594	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)cc1	409327918	NNUYSCJDBVQKBI-FYJGNVAPSA-N	466.540	5.968	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)SC2=S)c(C)c1	409349695	VYKWDKHXKCHBNW-XKZIYDEJSA-N	462.596	5.815	10	40	JKCB	
O=C1/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1c1cccc2ccccc12	409380901	JTEMDRIQORNICD-UFWORHAWSA-N	484.385	6.659	10	40	JKCB	
O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2430245	RSPFGXULXYEQBE-NLDZOOGBSA-N	499.541	6.142	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(C)n1-c1ccccc1	3299657	DZJHYFFVAGQBTJ-UHFFFAOYSA-N	481.961	5.316	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1	9075930	DTUPVBAWFVUHNL-XYGWBWBKSA-N	463.537	5.227	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OCc1ccccc1F	9232609	POAJTEHWRRRVDD-BUVRLJJBSA-N	494.613	5.885	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)SC2=S)cc1	9310265	LFGIKAAQEKWJGI-UDWIEESQSA-N	452.513	5.578	10	40	JKCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1cccc2ccccc12	9323181	KRQQZXJBGQVLFJ-XYGWBWBKSA-N	492.531	5.402	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1Cc1ccccc1	13546290	SXSLRGJEIXBWTD-ZVHZXABRSA-N	485.590	5.999	10	40	JKCB	
Cc1c(C(=O)Oc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cc2)oc2ccccc12	17045790	VWHHPOOJBMPFNX-BKUYFWCQSA-N	475.547	5.955	10	40	JKCB	
Cc1oc2ccc(O)c(CN3CCN(Cc4ccccc4)CC3)c2c1C(=O)Nc1ccc(C(C)C)cc1	19794041	IRPVZWJEPXJARN-UHFFFAOYSA-N	497.639	6.140	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	33929335	GZCQUEVHNZOHDL-FSWFDUBRSA-N	477.609	6.213	10	40	JKCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)c3ccccc23)C1=O)N1CCc2ccccc2C1	35088016	LHCJXBDYHMIYPB-ONUIUJJFSA-N	497.620	5.061	10	40	JKCB	
CCOC(=O)/C=C1\SC(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)=NC1=O	51330477	XDNGEPOPBLSROL-YLMKKMIRSA-N	471.582	5.359	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	58847955	MNTAOMSROFRGNN-ATLLOTDBSA-N	495.988	6.184	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)ccc1O	59105034	UWDUNBQHAPBXHO-SSDVNMTOSA-N	472.541	5.375	10	40	JKCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1	59639093	DZJAGXMXASVEQP-GDNBJRDFSA-N	486.267	5.666	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1	223384903	VWJWFIJQLZPFMZ-IZZNHLLZSA-N	473.045	6.315	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cc(Cl)ccc1O	223454200	ZHWYNQXRGAVHAV-RPBOFIJWSA-N	490.032	5.416	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	223759318	OHNSCONHDQLKKU-CLJLJLNGSA-N	472.589	5.814	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(C)=O)cc2)cc1	223995920	UVSIIMBCTNEVLL-KAYWLYCHSA-N	497.624	5.325	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	224168789	JFDVBJULNJXQNE-RRPNLBNLSA-N	467.642	5.732	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902380	MSMMAROSISADFH-NSOVKSMOSA-N	484.644	6.731	10	40	JKCB	
Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)c1	408642579	OZQYIKNKGNIYSG-QFIPXVFZSA-N	450.538	6.241	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C2=O)cc1	408739639	DNDVGZGBYFFJKL-IMRQLAEWSA-N	491.547	5.436	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1	408940195	NQLIDUFKYXQVNP-DEDYPNTBSA-N	465.336	6.014	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCc2cccc(C)c2)=N1	408988145	HECSQQSBQUHXNB-SANMLTNESA-N	470.642	5.907	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409011031	FMZHRFUQZXTRLP-YSMPRRRNSA-N	489.015	6.632	10	40	JKCB	
CCN1C(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)C(=O)N(c2ccc(Cl)cc2)C1=S	409013875	OAOLOUTWKFCTSX-PXLXIMEGSA-N	479.001	5.844	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C(C)C)cc4)C3=O)c2C)cc1	409242911	PRIBSOSGJCHLCA-PCLIKHOPSA-N	471.626	5.611	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(Br)c1O	409326636	CSGNAZVREDWFJN-CXUHLZMHSA-N	482.446	5.681	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	409333418	SHTKEMHVXOKCNQ-ZDLGFXPLSA-N	454.400	6.197	10	40	JKCB	
Cc1cc(C(=O)COC(=O)COc2ccc3c(c2)CCC3)c(C)n1-c1ccc(Cl)c(Cl)c1	2616932	NCLJBUZHIYMUNW-UHFFFAOYSA-N	472.368	5.695	10	40	JKCB	
CCOc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)o1	9125820	QBUZUHGBRLCYCL-UHFFFAOYSA-N	491.569	5.289	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1Br	9262092	JJJLOYFNBHZNGD-BOPFTXTBSA-N	492.325	5.333	10	40	JKCB	
O=C(COC(=O)c1ccc2c3c1[C@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(Br)cc1	13381957	OAFNLWWUNWOWLQ-MMKMLUHNSA-N	490.397	5.642	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccc(C)cc5)SC4=NC3=O)c2C)cc1	26580619	ACRFSBUVLOLWFD-IJQXDZDCSA-N	467.598	5.632	10	40	JKCB	
CCC1=NN2C(=N)/C(=C/c3cn(CCOc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	33148377	QDOHTQOXVBPVRG-QNPCYTEQSA-N	457.559	5.058	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1C	34367400	NOJPZEIQHZYUQD-NMHFRFNZSA-N	471.561	5.518	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc4c(c2)OCO4)N3)cc1	58846864	YCQKVHQODUPHDQ-SXDGJLEOSA-N	488.609	6.166	10	40	JKCB	
CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)N[C@](C)(c4cc5ccccc5o4)C3=O)c2C)c1	69966666	VWMAMJIJSMBSKX-HHHXNRCGSA-N	487.581	5.212	10	40	JKCB	
O=C(CF)N[C@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl	103612925	QFOKMKZTJAODRL-JAQLMUEDSA-N	462.765	5.170	10	40	JKCB	
Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O	208218117	DDNAHZJNUQAMPR-VYZAVGSRSA-N	463.603	5.392	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224538128	RGGGNIASPHBDEK-UIOOFZCWSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)ccc4C)c3)SC2=S)cc1	408575607	NNTMGSRXSBZRKC-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)ccc1Cl	408739075	SREFKADZNBMXRF-SFQUDFHCSA-N	480.745	6.272	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3cccc(Br)c3)C2=O)cc1OC	408765287	OUBOBOKVWXTKKC-UDWIEESQSA-N	497.776	5.954	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)cc1	408767529	MBKFFSNITLYYNM-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc5ccccc45)cc3)C2=O)c1C	408802537	YNYCUBXEYFEIFV-YZSQISJMSA-N	476.532	5.702	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	408846636	XYLVXGGOEYZISR-XSFVSMFZSA-N	463.389	7.351	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)cc3)C2=O)c1C	408964681	DBYNUXPFJZIULI-IWIPYMOSSA-N	489.597	5.340	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1C	408966973	OMFJDRZDWPBBET-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)c1C	408968234	UWFISHDMHBLAAM-UQQQWYQISA-N	460.599	6.080	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1cccc(Cl)c1	409038701	VMPRAMAILNRANW-MTJSOVHGSA-N	462.036	6.175	10	40	JKCB	
CCOc1cc(Br)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1O	409050889	CFFWYICNVXKUJR-MFOYZWKCSA-N	464.406	5.263	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	409201186	MEWQAGSBTFEXMN-VCHYOVAHSA-N	460.294	6.193	10	40	JKCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)o2)ccc1Cl	409216539	JDOAEQAPGAEPCU-BKUYFWCQSA-N	483.998	6.491	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1	409328637	ZFBBHZRGKDFRLI-UDWIEESQSA-N	451.525	5.368	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409338978	CTXXBOXDGJELRH-LICLKQGHSA-N	479.377	5.552	10	40	JKCB	
COC(=O)c1c(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)sc2c1CC[C@H](C)C2	938459	ORKDUELRXVEHDV-QFYYESIMSA-N	498.548	5.120	10	40	JKCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc12	1747748	ALGQGMJUWTZGSX-ZDUSSCGKSA-N	451.872	6.212	10	40	JKCB	biogenic
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC(=O)c1ccccc1	6600518	KWZXPGZMJDVJBV-XQNSMLJCSA-N	491.590	5.719	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccc(Cl)cc3)C2=O)cc1Cl	8739097	MRQYBNCCGNADLD-WOJGMQOQSA-N	470.312	5.359	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1	9635942	NEUTVRSJCPXYEL-UCQKPKSFSA-N	461.011	6.749	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCCOc4ccccc4Cl)c3)SC2=S)cc1	9849401	CXRGZNBXEDVKPK-KQWNVCNZSA-N	498.025	6.212	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	13165618	MOAIYXDJPSRZCO-AKZCVUIYSA-N	454.555	5.407	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2c(F)cccc2Cl)SC(=S)N1c1ccc(Cl)cc1	13881245	OCEZOYGYGWRDJU-MTJSOVHGSA-N	490.408	7.117	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12	16000597	OZKHCTXAQCTIFS-KKUQBAQOSA-N	451.497	5.157	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	16268661	CUUFMKCAWYZLHT-QJOMJCCJSA-N	462.565	5.796	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	16713582	YDVDPBCNHMNVHM-NEHPVHAPSA-N	484.470	6.183	10	40	JKCB	
CN(C)c1ccc([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)N2CCN(c3ccccc3)CC2)cc1	16914476	LMILAQBIZJXKET-SANMLTNESA-N	496.577	5.065	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(Sc4cccc5ccccc45)o3)C2=O)cc1	20238547	NPFDOYLVVZOOMW-JWGURIENSA-N	468.534	6.653	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc2ccccc12	33730504	ZACWWZGCIOFBBO-JJYAYZJSSA-N	476.565	5.310	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3ncc(C(F)(F)F)cc3Cl)N=C2C(C)(C)C)cc(OC)c1O	35622973	IXOWKOGUXCLCEB-MLPAPPSSSA-N	483.874	5.309	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1OC	35648505	ZRAYVEDZIUZPFL-UDWIEESQSA-N	457.573	5.287	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)cc1OC	58847265	FYCYJJBKGLXZOJ-GNBJCERTSA-N	497.016	5.985	10	40	JKCB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2[N+](=O)[O-])N3)c1	58850018	QXWQVCPLZYPEAZ-GLDPYIMESA-N	492.513	5.130	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)cc(Cl)c1OCc1ccccc1	83293507	PRJXLOONEBSJDO-DEDYPNTBSA-N	476.916	5.824	10	40	JKCB	
CN(C)c1ccc(/N=N\c2ccc3ccc4c(/N=N\c5ccc(N(C)C)cc5)ccc5ccc2c3c54)cc1	104209896	KSHFJTGUZJLPPE-SGRXOXICSA-N	496.618	9.547	10	40	JKCB	
Cc1cc(/N=N/c2ccccc2C)ccc1/N=N\c1c(O)ccc2cc(S(=O)(=O)O)ccc12	104389118	FTJRRCJGWNWSIS-COGCMUBNSA-N	460.515	7.240	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1cccc2ccccc12	113836829	JFPSYHQBWHUNIG-JVWAILMASA-N	494.616	7.388	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cccc(Cl)c1Cl	223349224	VLJOXOQLRAZDCY-BJKOFHAPSA-N	497.451	6.562	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1C	223466729	WBHYAFNBRVHHET-CLJLJLNGSA-N	488.060	6.019	10	40	JKCB	
Cc1c(Br)cnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1Br	223950812	JEWGBAIKGGCVMD-UHFFFAOYSA-N	484.261	5.002	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	224205121	XGAQJQOWWWTKPM-IZZNHLLZSA-N	482.609	5.673	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224253677	QVHRHCQQIJWOGY-RRPNLBNLSA-N	496.636	5.761	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224608671	JDBNNLKEQJNDPE-UIOOFZCWSA-N	489.044	6.334	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1	225503593	FQEVALZBGGECHP-WUFINQPMSA-N	495.652	5.409	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)cc21	260920958	NRJFYISLYALMEH-LOSJGSFVSA-N	455.631	5.281	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(Cl)cc3)C2=O)cc1C	408808325	FONXWKKYGBMCAG-LPYMAVHISA-N	495.362	5.856	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(Br)cc2)cc1	408841792	LKSOJGPPEMMPSR-XSFVSMFZSA-N	478.302	5.200	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409056118	MKNXJEOEZWDYOC-MYYYXRDXSA-N	458.533	5.727	10	40	JKCB	
O=C1NC(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl	409203098	UZYKQDSUIBRGMR-CPNJWEJPSA-N	467.308	5.239	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c2ccccc2N1c1ccccc1	409204375	GFKIIPJEUURXBU-WGOQTCKBSA-N	495.409	8.215	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)SC2=S)c(C)c1	409330325	KTJIOMMGKJYWEO-YBFXNURJSA-N	462.434	6.259	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC(=S)N1c1ccc(Cl)cc1	409330710	LHVUZUBOKLAOQD-ZDLGFXPLSA-N	477.350	6.567	10	40	JKCB	
O=C1/C(=C\c2ccc(O)c(I)c2)SC(=S)N1c1cccc(Cl)c1	409338772	ARIYDTBLQABMMV-VGOFMYFVSA-N	473.744	5.056	10	40	JKCB	
Cc1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc(N)cc5)cc4C3=O)c2)cc1C	793757	LIXXRCKNQVBJTR-UHFFFAOYSA-N	450.494	6.271	10	40	JKCB	
COc1ccc(N2CCN(C(=O)CC3(c4ccc(Cl)cc4)C4CC5CC(C4)CC3C5)CC2)cc1	3125745	GGKNHRRHTQJTTL-UHFFFAOYSA-N	479.064	5.781	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(Oc4ccccc4)cc3)c21	4016161	VFIHELJDPZFQEU-UHFFFAOYSA-N	488.587	7.743	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)SC2=S)cc1	4508338	DODXYYNSVPTCJW-XDHOZWIPSA-N	472.385	6.124	10	40	JKCB	
CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)sc2c1CCCCCCCCCCC2	8455469	NVYIPSZLOYKJNT-OSZJIOELSA-N	491.650	5.351	10	40	JKCB	
CCCCc1ccc(NC2=NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1	8821737	LOWRLKMSLBMREB-UQQQWYQISA-N	477.029	7.344	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)SC(=S)N1c1ccc(Cl)cc1	9310375	VCCAOCBFCJKHDC-WOJGMQOQSA-N	481.904	6.904	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)cc1	13799732	BDIMGUNCPDVQHP-WQRHYEAKSA-N	465.427	5.922	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ncc(Cc4ccccc4)s3)C2=O)cc1	13815543	INGNBHCDDFFWJV-ZHZULCJRSA-N	479.652	5.272	10	40	JKCB	
O=C(O)CCc1ccc(-c2ccccc2)n1Cc1cccc(CNC(=O)OCc2ccccc2)c1	14153025	IITAVBIPENNTDU-UHFFFAOYSA-N	468.553	5.647	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(Br)ccc1O	14406623	VQYMJBOASRTDRP-UNOMPAQXSA-N	456.336	5.039	10	40	JKCB	
C[C@H]1CN(Cc2c(O)ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc23)C[C@H](C)O1	19791826	AENRHFJPARHXSA-STQMWFEESA-N	467.871	5.447	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C	27017812	JYYBKDBAQIPXHJ-PRQBNDRFSA-N	472.415	5.023	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	33870167	UJTMPXNPICTHGU-UNOMPAQXSA-N	491.034	5.286	10	40	JKCB	
CC(C)(C)c1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc(C(C)(C)C)c1O	59136247	LQHYRRPSROLDNT-RVDMUPIBSA-N	454.567	5.798	10	40	JKCB	
CC(C)Cn1c(=O)c(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc2ccccc21	85875190	PQFQQMXXGIKGPM-UHFFFAOYSA-N	498.539	5.254	10	40	JKCB	biogenic
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1OC	95472987	JFPLILSIDUQNEP-UHFFFAOYSA-N	461.474	5.247	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N(c2ccccc2)C1=S	96476818	PJICDMPNNCKEBW-HKWRFOASSA-N	495.398	5.663	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1C	108028820	CWMMVZLHGNWELX-XKZIYDEJSA-N	467.566	5.026	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)cc2[C@H](C)CC1(C)C	208327145	YXAJHMXMOWBSCX-SUVVMJBMSA-N	469.050	6.997	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)c1C	223231558	BWZFEQWTDYVMAI-LOSJGSFVSA-N	482.097	5.375	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	223425647	HGCYSYRORFMTCB-XRKRLSELSA-N	496.680	6.287	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)cc2[C@@H](C)CC1(C)C	223540258	BIWYNTMCSBFLRV-BDQMVGTNSA-N	498.048	6.127	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccccc1O	223897333	RSGJZVXCNWYUFJ-KAYWLYCHSA-N	483.641	5.438	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c(C)c1	224170852	GHYDZTBCQXKIEL-IAPPQJPRSA-N	466.654	6.592	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224204542	CIWYLQHGCJZNIL-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1	224416734	LAMRWUBDZKHOQO-RPBOFIJWSA-N	458.562	5.506	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	224436875	JHPCTZLPUFYYCO-IZZNHLLZSA-N	486.572	5.534	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCCC)c(OCC)c3)C2=O)cc1	408540003	LPZAKTFPXLHTPA-PTGBLXJZSA-N	494.588	5.500	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2Br)cc1	408765542	YKUNWGMDCZNCBM-KGENOOAVSA-N	451.295	5.431	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2Cl)c1	408890495	URNFALHPBFOIQY-SRZZPIQSSA-N	495.362	5.856	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1Cl	408902218	MCLXFTFGDFBFKA-XDHOZWIPSA-N	459.423	6.807	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C(=O)O)c1	408902839	RVRCZSQPWPZMIS-HYARGMPZSA-N	477.563	5.378	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C(C)C)C2=O)cc1Br	408987016	UOKUBNXFNRRPDQ-CJLVFECKSA-N	488.425	7.443	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	409000235	NAJBUMLNFDDWLP-UQQQWYQISA-N	469.537	5.147	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SC1=S	409043880	FQONFWVYGOGQFZ-FBHDLOMBSA-N	475.466	6.854	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409055296	KTHZLGFBJHZYJO-BKUYFWCQSA-N	495.406	6.587	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(c2ccccc2)=NN1c1ccccc1	409079727	LBXBMAMCKKXRBI-ZXVVBBHZSA-N	464.952	6.754	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4F)C3=O)cc2)c1	409328829	BBQDOMFLQUFOFE-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@H]3CCCN4CCCC[C@@H]34)c(O)ccc12	1565519664	GXXPLUVBLOAVED-GJZUVCINSA-N	460.618	5.094	10	40	JKCB	biogenic
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1ccccc1F	1240098	LBKKALYYOIGFOO-XSFVSMFZSA-N	455.514	5.500	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1C	1912533	QQBFWGZZJJBYDK-UCQKPKSFSA-N	482.026	6.642	10	40	JKCB	
Cc1cc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)ccc1Cl	2184810	YFGDFURNAZJIEL-UHFFFAOYSA-N	463.005	5.916	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nc([C@@H]3CCCO3)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	8728279	UEFMCJJHERYJSD-KDOFPFPSSA-N	462.522	5.029	10	40	JKCB	
O=C1/C(=C\c2ccccc2F)SC(=S)N1CCC(=O)N(Cc1ccccc1)c1ccccc1	8819276	OCHLVPQCJJWAJN-HAVVHWLPSA-N	476.598	5.650	10	40	JKCB	
C[C@@H](Sc1cc(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1O)C(=O)O	8870801	ZITWNKUNXRCDPW-CQSZACIVSA-N	453.541	5.065	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc(Cl)cc1	9015720	XPEPMBPPFRKPAJ-VRUMLPLGSA-N	488.927	6.114	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1	9075832	XLLCCCIABDHLJY-SNFPTOCBSA-N	491.975	5.400	10	40	JKCB	
COC(=O)c1c(C)sc(C(c2cc(C)sc2C)c2sc(C)c(C(=O)OC)c2O)c1O	12445314	QKCSDBOTQZMEKQ-UHFFFAOYSA-N	466.602	5.269	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2)SC(=S)N1c1ccccc1	13940058	QVGLNFRHLUPOJH-JWGURIENSA-N	467.999	6.204	10	40	JKCB	
CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C)CC3)=NC2=O)c1	102687435	FPHMTWBZCMGQRO-XIEYBQDHSA-N	486.641	6.030	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21	208222324	QEDADEMCLWXJMD-RANIVTSPSA-N	485.447	6.408	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc21	208451275	DKYZRKGYMHKESQ-FYJGNVAPSA-N	459.615	5.075	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1C	223542528	XIUDUZSPRKQXPY-FTJBHMTQSA-N	488.060	6.019	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223750752	WPPBUDJRFIOFDR-DQEYMECFSA-N	455.587	5.070	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224236697	KQJAHBPBDMSRDK-KAYWLYCHSA-N	468.626	5.983	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224339135	UYDBVZBPDZRNEQ-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224535763	SITHMRFLXFJOPQ-IXCJQBJRSA-N	482.653	6.292	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225031553	LYGXUKFOSHRPOO-LOSJGSFVSA-N	474.630	5.191	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC(=S)N1c1cccc(Cl)c1	408725321	FEODVCLGJAJEBQ-PYRRDVQNSA-N	486.405	7.520	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)cc1OC	408754574	GIEQPTMRAATKGW-DEDYPNTBSA-N	479.330	5.006	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Br)c3C)S2)cc1	408776486	ZTMRARTWGMLZMF-IGSWSUAKSA-N	482.447	6.019	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)O)ccc4Cl)c3C)S2)cc1	408783662	OEBMOCYCMSNQON-AOLPSBPOSA-N	482.005	5.608	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1Cc1ccccc1Cl	408870373	UWBSSAUDAATPPS-HYARGMPZSA-N	488.971	5.613	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C)cc1	408902425	NLJMTJZKUWOTRP-OEAKJJBVSA-N	460.961	6.432	10	40	JKCB	
O=C1/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C(C(F)(F)F)=NN1c1ccccc1	408972491	ULCPDHGFCJSCLF-QINSGFPZSA-N	471.485	6.389	10	40	JKCB	
COc1cc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409162888	JAFYMWXKEFHRLU-SOZUMNATSA-N	464.743	5.644	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC(=S)N1c1cccc(Br)c1	409198243	AMVJYVIRZMEOSP-WOJGMQOQSA-N	487.356	6.023	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O	409335707	YVFWCKVXJKTASG-ZSOIEALJSA-N	456.770	5.223	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(OC)c(Cl)c2)C1=O	409349453	QDCZYUMXYSIAJT-HAHDFKILSA-N	484.042	7.087	10	40	JKCB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c(C)c1	409374499	RHTZVAGUQDICQX-CIAFOILYSA-N	490.537	5.245	10	40	JKCB	
CC(C)(C)OC(=O)N1C[C@@H](C=S)C[C@H]2c3cccc4c3c(cn4C(=O)OC(C)(C)C)C[C@H]21	1570001150	JQLSABPOUBLMOP-ZAAXVRCTSA-N	456.608	5.690	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1-c1ccc(Br)cc1	959656	YIHSBVYMNZCBSJ-UHFFFAOYSA-N	497.443	6.089	10	40	JKCB	
COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC	1246264	OPJQJLUUJPBOML-LJQANCHMSA-N	498.377	5.117	10	40	JKCB	
O=C1/C(=C\c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccc(F)cc2)N1c1ccccc1	3766462	DTFTWOQXYKZKDN-WUBJHQBQSA-N	472.519	6.298	10	40	JKCB	
O=C1/C(=C/c2ccc(OCCCOc3ccccc3)cc2)SC(=S)N1Cc1ccccc1	9137329	AAAZUDMRBMIDOO-MOHJPFBDSA-N	461.608	5.936	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(Cc5ccccc5)SC4=NC3=O)c2C)c1	9293254	DZNUXYFUZLSUIM-KOXZJICBSA-N	467.598	5.573	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cccc(OCCOc4cc(C)cc(C)c4)c3)C(=O)N=C2S1	15224884	DSCATZGYNXSFOU-CLKGNMONSA-N	476.602	5.571	10	40	JKCB	
COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3nc(-c4ccccc4)cs3)C2=O)cc1	16215894	QDNNDPRBAWOBLU-JWGURIENSA-N	497.601	5.567	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5cc(C)ccc5C)c4C)C(=O)N=C3S2)c1	41108389	FWHZSHXZQYYBCM-YLOHPIGASA-N	497.624	5.718	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1	58850278	YVFJWCBDUFEDPA-UNVFRBQDSA-N	499.007	6.505	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c1C	59136199	OTDIYWCZCRICFX-SFQUDFHCSA-N	467.953	5.867	10	40	JKCB	
O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)C(C(F)(F)F)=NN1c1ccc(OC(F)(F)F)cc1	100409010	KXVCHYNYUGUXJP-RIYZIHGNSA-N	484.183	6.153	10	40	JKCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4Br)C3=O)n2)cc1	100510842	KOBWJILXHCDSFU-FTGFMQHASA-N	470.352	5.456	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/Nc1cc(Cl)ccc1Oc1ccccc1	100967920	VMPUEXXRXTXYAM-KNTRCKAVSA-N	489.000	7.241	10	40	JKCB	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422649	XWMWJKXAJJOPDX-DJKKODMXSA-N	477.051	5.188	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccccc1O	223385768	IWUHJBXDRHSCIB-CLJLJLNGSA-N	454.599	5.367	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(=O)O	223860121	PTPRYTRCYIDKCD-LOSJGSFVSA-N	484.581	5.070	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1C	224267230	SMGFLLVDJZJSFR-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	224353086	XGPCPTORIIOTHF-RRPNLBNLSA-N	468.626	5.929	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cccc3C)c2C)c1	224535709	SITHMRFLXFJOPQ-XTEPFMGCSA-N	482.653	6.292	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)cc21	260921358	PKCUMSYPCNBQKT-UIOOFZCWSA-N	484.625	5.619	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)S2)cc1	408775015	FBXGIOCRRKZEBH-KLKBWYFJSA-N	475.614	5.351	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C2=O)c1	408800481	MVKRUIMHYIRGMH-UDWIEESQSA-N	478.907	5.341	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C](Nc4cc(C)ccc4OC)NC3=O)c2C)cc1	408804122	WCQAPNNSYSIJTL-UHFFFAOYSA-N	490.605	5.351	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccc(C)c(C)c1	408805090	DNNULYIHPAIJAG-BUVRLJJBSA-N	498.579	5.564	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1Cc1cc(C)cc(C)c1	408871151	YBRLPROHRFNYBW-YDZHTSKRSA-N	488.971	5.531	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3sc4ccccc4c3Cl)N(c3ccc(Cl)cc3)C2=O)cc1	408997394	ODRUNXWYVDJJPG-CPNJWEJPSA-N	493.371	6.741	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12	409029629	BYZBDFFBKMJZDE-WQRHYEAKSA-N	481.424	6.191	10	40	JKCB	
O=C1C(=Cc2cc(Cl)c(O)c(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	409044454	CGYWHCNXAPNPDV-UHFFFAOYSA-N	453.281	5.282	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)c1	409328465	VUDGHVXNCNDFSD-VCHYOVAHSA-N	476.362	6.357	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1	1452709	JXLIFDFHOQJGPB-QNGOZBTKSA-N	493.610	5.004	10	40	JKCB	
COc1ccc(-n2c(-c3cccc(Br)c3)cc3c2CC(C)(C)CC3=O)cc1OC	2512757	XHDCUSSVWNGLFY-UHFFFAOYSA-N	454.364	6.079	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)c(Cl)c1	3768702	UMOXGJUOJBZCKN-VGOFMYFVSA-N	455.742	5.417	10	40	JKCB	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1nc2cc(Cl)c(F)cc2s1	8894563	KXKBULOZJPRSQJ-ZDLGFXPLSA-N	478.892	5.832	10	40	JKCB	
COc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(Cl)c(F)cc4s3)C2=O)cc1	8955272	DSHGEADALXROER-JAIQZWGSSA-N	463.921	5.932	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	9188568	MLDVTTJWYCHRCH-BKUYFWCQSA-N	471.525	6.690	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)SC1=S	9232454	MLHYMSRRCWNFTL-HZHRSRAPSA-N	490.606	5.427	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	9234590	ZSSUTLAHHILVND-OCKHKDLRSA-N	491.421	5.591	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	9234721	SMJMSWKBHZAVKE-YWNLSASSSA-N	495.395	5.463	10	40	JKCB	
CN(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)/C=C/c2ccccc2)cc1	9271725	NYTSLFJDMFHKHZ-OBGMXFBLSA-N	474.402	5.906	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3cc(Cl)ccc3OCc3cccc4ccccc34)C(=O)N=C2S1	9659596	CRMTUEUNOLUZHV-AHXGQMSJSA-N	489.000	6.491	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccccc23)SC1=S	9849635	CZRXFNBCVWJHNZ-IMRQLAEWSA-N	498.673	6.997	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4Cl)ccc3o2)cc1	22751390	ZOOBQTBJYLOVRE-UHFFFAOYSA-N	493.032	6.430	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	41108447	LQLZRFAIBJAFMB-WOZVDNMVSA-N	487.654	6.141	10	40	JKCB	
CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	58845653	NHUNZWPHQJXVCU-CLCZQPDDSA-N	458.627	6.611	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)cc1	58846754	JUYMTUCFZLFSIJ-XXAUWVGASA-N	462.590	6.576	10	40	JKCB	
O=C1/C(=C\c2ccccc2Sc2ccc(Cl)cc2)SC(=S)N1c1cccc(Cl)c1	59514476	HGXHKAFDBGYFIW-UDWIEESQSA-N	474.459	7.550	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)S2)cc1	107957214	GODHWSPCCPTEQD-WGOQTCKBSA-N	485.008	7.463	10	40	JKCB	
Cc1nc2c(c(-c3ccccc3N=O)c1C(=O)O[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C(=O)c1ccccc1-2	221817453	QCFQLASOCIGVFK-AVVMPOSVSA-N	480.564	7.038	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(CC)CC)cc2)c1C	222878418	OMJIKKCSSDTWNA-CLJLJLNGSA-N	461.679	5.718	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)cc21	223524886	UPNUYXXEFILKDM-JWQCQUIFSA-N	455.631	5.281	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(N(C)C)cc1	223860838	OZJHSWLGXILRRV-RRPNLBNLSA-N	483.641	5.438	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	224531833	XGKZBLWCLKDIMW-UIOOFZCWSA-N	489.044	6.328	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1F	224869032	APNREYPADFNAIG-RPBOFIJWSA-N	493.007	6.164	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C2=O)cc1	260565349	ICJVLGWYIACXKF-IXOWOOARSA-N	459.590	5.470	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)C1=O	408529649	CVBRQNKOLHDFJZ-PDGQHHTCSA-N	495.318	5.187	10	40	JKCB	
Cc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c(C)n1-c1ccc([N+](=O)[O-])cc1	408634444	RHXGAQTXIWLABY-NDENLUEZSA-N	495.948	5.659	10	40	JKCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl	408742844	SYZHQRGNVBGLNU-XGICHPGQSA-N	490.593	5.241	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2c1	408779844	MBMBWQNHUSJIJP-KGENOOAVSA-N	480.973	5.122	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)NC2=S)cc1C	408986689	SQOJYIHSCJUIAR-XDHOZWIPSA-N	464.631	5.435	10	40	JKCB	
Cc1cc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)ccc1Cl	409206165	MPYRQQSGZPUQTL-JCMHNJIXSA-N	491.975	5.087	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(Br)cc1O	409330319	KSEWGKJEEPZTML-GIDUJCDVSA-N	490.322	5.588	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(I)c3)SC2=S)cc1	409343513	HKMIKBOLXGGMMS-BOPFTXTBSA-N	497.379	5.104	10	40	JKCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC	409343530	HEYYHLLZBYZULA-YBFXNURJSA-N	468.427	6.587	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3c(O[C@H](C)CC)ccc4ccccc34)C(=O)NC2=S)cc1	409369919	HPHHCPIHMLZZRS-BXDFRRGMSA-N	458.583	5.411	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)=NC2=O)cc1	2234864	AKOWNVMFVACXGR-CJLVFECKSA-N	488.579	5.344	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1	2278203	FTSIRSCEVIOCHL-CXJVOSNZSA-N	475.591	5.877	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccco1	8968980	XQAYGQIAGUHECP-XSFVSMFZSA-N	489.915	5.469	10	40	JKCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c(C)c1	9090345	ITJAOMGQVWOLFN-CPNJWEJPSA-N	476.570	5.525	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1	9309066	FIFNUJVOLIUVIY-KXNPBEKVSA-N	485.588	6.024	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O	11859674	ACIZANJYQHPLIQ-HIMLSBAZSA-N	462.518	5.492	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)Nc1ccc(F)cc1	12032412	PSOMWFCVIRTOGE-SFQUDFHCSA-N	479.396	5.208	10	40	JKCB	
CCOc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)c1O	15946262	BNXSZPWAZQUQML-ODXCJYRJSA-N	493.467	6.585	10	40	JKCB	
C/C(Nc1ccc(Cl)cc1C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288311	CIGYSKQYQBNDKT-JWGURIENSA-N	458.974	6.395	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	33889105	UYVPNTLDFPQBCS-DHTWHNCJSA-N	486.306	5.582	10	40	JKCB	
Cc1cccc(OCC2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(C)c(C)c5)c4C)C(=O)N=C3S2)c1	34829349	OTOHPMJZTVULPL-LADBVJPCSA-N	497.624	5.718	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)o1	41108035	BSNQKHZHJXHVDC-MPZQNCSBSA-N	491.916	5.484	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2[C@H]2C=CC[C@H]21	58848023	YAWSCOIVKIAAAF-UNVFRBQDSA-N	481.017	6.284	10	40	JKCB	
COc1ccccc1NC(=O)CCCCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C	62620637	CZOJSYPDTLXXNM-UHFFFAOYSA-N	480.536	5.167	10	40	JKCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1	100931047	NGDCVBRKDCVFFH-HZHRSRAPSA-N	480.977	5.168	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c2C)c1	106732387	KYXHTVIZHOWWFH-QRVIBDJDSA-N	495.442	6.710	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223382713	YGKVTPATIMWZTH-SVBPBHIXSA-N	452.627	5.970	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	224238961	XPWSMJRFVFFNDX-VSGBNLITSA-N	466.654	6.592	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1cccc(F)c1	224367339	HNIFWIICKOXMNA-NSOVKSMOSA-N	484.644	6.929	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cc(C)cc2C)c1C	224571737	FMCBYEGYIRTMGQ-XRKRLSELSA-N	496.680	6.600	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)nc1	224610072	UVWOUAZIDPRTFL-LOSJGSFVSA-N	455.587	5.075	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2)c1C	408572384	GQQMTBHEESPNTJ-IWIPYMOSSA-N	488.634	5.722	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3O)C2=O)cc1OC	408758106	GQAWNHIIOQBICR-GZTJUZNOSA-N	468.336	6.188	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C(C)(C)C)cc3)C2=O)cc1OC	408759505	GGWKJFPJHHOIRI-LTGZKZEYSA-N	474.000	7.126	10	40	JKCB	
COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccc(Cl)cc2)c1C	408766186	SINKJQVGCIWYIK-HKWRFOASSA-N	459.929	5.915	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)cc1C	408805722	CILGWHIJWZPQQL-YDZHTSKRSA-N	474.944	5.511	10	40	JKCB	
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCC)cc3)C=C2c2ccc(Cl)cc2)c1	408985556	MYNFSQCBQDUKJE-CJLVFECKSA-N	473.956	6.387	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)SC1=S	409006828	MASYCYMQFMPXGO-ZDLGFXPLSA-N	464.406	5.258	10	40	JKCB	
CCCOc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)c1	409098054	NEGGMNLFDYBMKF-HZHRSRAPSA-N	492.597	6.273	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409126960	GMOZYEKGPZTGSJ-SRZZPIQSSA-N	463.430	7.018	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccc(C)cc1	409162320	TYLNFTNLVCJRHB-DEOSSOPVSA-N	478.639	5.339	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1Br	409354432	FIWJQRPWMICCTR-ZDLGFXPLSA-N	479.783	5.088	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c1	2264505	JDZMERHALXLZRQ-OYADDEIPSA-N	458.587	5.250	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1	2706819	KDIXMTKKOHXWNO-ODLFYWEKSA-N	462.379	6.668	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)c1	8819208	PXPZADKKMMYMCW-ZHZULCJRSA-N	495.651	5.439	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CNc1ccc(-c2ccccc2)cc1	12376973	RRWOXLHFSXAGCB-CIAFOILYSA-N	471.434	6.931	10	40	JKCB	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nc3sc4c(c3c2=O)CCCC4)cc1	12602527	WUPPTGXBWOPXTM-UHFFFAOYSA-N	478.595	5.021	10	40	JKCB	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2Br)o1	12630927	AALJZPLSXALBFO-PDGQHHTCSA-N	451.276	5.213	10	40	JKCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1Cl	13552423	FDZZWJCARAPECH-WQRHYEAKSA-N	469.324	5.042	10	40	JKCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	13943738	PFGQUUPMYFQIRL-GRSHGNNSSA-N	461.389	5.730	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	16000936	SWXWNVVEFFFFBP-NXCFDTQHSA-N	488.568	5.459	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2nc3ccccc3s2)SC1=S	16805317	LXBPOCSEKHOMRA-UNOMPAQXSA-N	462.625	5.759	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O	33491392	LVMZMBMFOGJNCM-NDENLUEZSA-N	473.957	5.063	10	40	JKCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1	33547777	ULSTWCOQKGZAMI-BWFWVIOXSA-N	458.012	5.386	10	40	JKCB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1	33912537	WQTULMRHYWKAQX-HYARGMPZSA-N	473.579	5.542	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(O)=NC(=S)N1c1ccccc1F	59135753	DWQDJLIPPHHUBL-RAXLEYEMSA-N	471.853	5.319	10	40	JKCB	
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2C)cc1	89639057	RRUYHUAYZDJHHH-UHFFFAOYSA-N	484.581	5.065	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OC(=O)c1cccs1	113831423	UCVUZHWDPJLSLE-YBFXNURJSA-N	498.563	5.290	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	169683849	UIUUKNPPJKXXOP-XLGIIRLISA-N	499.479	5.369	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)SC1=S	208686745	BKBJPRAYDQNFAZ-NHDPSOOVSA-N	473.450	7.115	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1	223384592	GRYQGQKRQQZULQ-FTJBHMTQSA-N	473.045	6.315	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223728016	LMKKECZNNPSMBS-RPBOFIJWSA-N	497.064	5.377	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccn3)c2C)cc1	223789093	SSAZYBKDFAJCQX-FTJBHMTQSA-N	469.614	5.460	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223879636	SGSGLWJIEKBOPC-CLJLJLNGSA-N	498.608	5.158	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3OC)c2C)c1	224568698	WBILUTWNTSZKPG-SVBPBHIXSA-N	484.625	5.683	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(C(=O)O)c1	224605340	HKXOCOKTVGYSCK-JWQCQUIFSA-N	484.581	5.070	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	225018296	COFCZHUQUANIGC-ZEQRLZLVSA-N	485.484	6.711	10	40	JKCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC(=O)Nc2ccccc2F)n1-c1ccccc1	225621951	SROKGIZLOALRQS-SVBPBHIXSA-N	499.615	5.321	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Br)cc3F)cc2)CC1	225655832	QHOQVFRRNDQQMY-OAHLLOKOSA-N	450.421	5.872	10	40	JKCB	
CCCCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OCC	408538475	NLPZUOXCQDHAKJ-XSFVSMFZSA-N	484.980	5.673	10	40	JKCB	
CCn1c(S/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)O)nnc1-c1ccc(Cl)cc1	408630811	BHFJRNANUJVKON-HZHRSRAPSA-N	493.032	6.552	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C2=O)cc1	408796078	DHKURBDQZZHMIB-KOEQRZSOSA-N	478.504	5.094	10	40	JKCB	
COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Br)c1	408849303	ZKVCIBZHHBEGDQ-DEDYPNTBSA-N	478.302	5.200	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)c2C)c1	408873529	VKINETAHXUHVOY-XKZIYDEJSA-N	463.534	5.217	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3cccc4ccccc34)C2=O)cc1	408984176	FKZVYIGSBJFUGL-PTGBLXJZSA-N	451.953	7.363	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408987354	WRMWPMRAMKTCHM-LDADJPATSA-N	485.208	7.536	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N(C)C)c(Br)c1	409030691	FFUCJUGAESEPQU-UXBLZVDNSA-N	474.227	5.017	10	40	JKCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409065153	DOWIGUBXJXVDRW-CXTZRUPXSA-N	498.579	5.315	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O	409131284	NDIMVFWSOPDFLK-LUJYGJGBSA-N	458.583	5.465	10	40	JKCB	
COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cc(Br)c(OC)c(OC)c1)N2	409161766	AVXRBUSIYVGDMW-VPZZIHKRSA-N	478.770	5.733	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1	409386230	LXWXXCRUXYGGDE-IDUWFGFVSA-N	478.378	5.904	10	40	JKCB	
COc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1Cl	2113255	ZYXOAOYMJBTLFK-UHFFFAOYSA-N	461.945	6.019	10	40	JKCB	biogenic
O=C1/C(=C/c2ccc3c(c2)CCN3Cc2ccccc2Cl)C(O)=NC(=S)N1C1CCCCC1	2396620	KEXOODWMQITNLF-RCCKNPSSSA-N	480.033	5.702	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1cccc(C(F)(F)F)c1	3389798	RSEYGIDQNGFVNF-AWEZNQCLSA-N	475.532	6.339	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc4ccccc34)SC2=S)cc1	3769296	OPJRFBIFOBDQOQ-IMRQLAEWSA-N	496.657	6.891	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	8674146	JLLJHABMEMDYAZ-QHWMMSMNSA-N	460.599	5.939	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1cccc2ccccc12	8873060	CVDXAOCWCNCDBD-LYBHJNIJSA-N	484.511	7.479	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1Br	9262108	SXKFBDIMQZQAEQ-AQTBWJFISA-N	450.307	6.068	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9290729	GGVWJQSDFWJSKP-GGILCJMTSA-N	486.306	5.582	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	9296603	XHBCLCMVYXBNFK-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
COc1cc([C@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]23)cc(Br)c1OC	12418437	XYHKYEBAJQBIPV-QHRIQVFBSA-N	455.179	6.600	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	12629905	WSZIGHCIPKJXTR-SWYRRKHMSA-N	452.450	8.421	10	40	JKCB	
COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)ccc1OC(=O)c1ccccc1	13914594	FQTHNYJDSAFVPW-BKUYFWCQSA-N	480.442	5.739	10	40	JKCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	27025597	UHHGPEQLJAEUQO-ULJHMMPZSA-N	483.618	6.344	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N=C2SC(C3CCCCC3)=NN12	32109454	PQUFWZAJFOQNOH-KELBLCKYSA-N	456.930	5.939	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(OC)c1	35039944	RNGSSOPKPOZYKR-NDENLUEZSA-N	468.512	5.278	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2	58845752	GCPFITVIEQWSBH-BPYKYCOYSA-N	461.543	5.531	10	40	JKCB	
CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1	58848682	RYZFZSAPASOBEE-UZINWLIJSA-N	490.581	5.411	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1	83261378	ZYQLJDTXDMYMOE-FYJGNVAPSA-N	480.879	5.573	10	40	JKCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1Sc1ccccc1	112295106	HMWRFPUCFKKYAI-BWAHOGKJSA-N	457.555	5.490	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223308000	WLJSKBTVOZNSKR-RMUDUWAUSA-N	460.647	5.203	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223796831	AQGGLMSKDGAWFD-SVBPBHIXSA-N	486.616	6.204	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224236823	KQJAHBPBDMSRDK-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
Cc1cccc(NC(=O)CCN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)c1	225657380	ZCQVXNOCNVOYLI-WUFINQPMSA-N	495.652	5.490	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\S[C](Nc4ccccc4)N([C@@H]4CCCC[C@H]4C)C3=O)c2C)c1C	408807378	CEZBKTKKVRITGH-VTDDUPJOSA-N	498.716	7.765	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccc(Br)cc2)N1c1ccccc1	408846739	YWGOMEYOKJVTAQ-UDWIEESQSA-N	472.169	6.590	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1C	408851014	UKQKYZXOXJOHHR-OEAKJJBVSA-N	467.500	5.112	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1Cc1ccccc1Cl	408868959	QEASPCDQGSGANU-STZFKDTASA-N	476.985	5.161	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)cc1C	408881377	KWYQPXCPMQEMOA-WGOQTCKBSA-N	494.522	5.841	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c(OCc4cccc(F)c4)ccc4ccccc34)C2=O)c1	408889182	ANZTZPJVXKJXIZ-PCLIKHOPSA-N	494.522	5.841	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c1C	408961340	RRYZIPIVYBLUKJ-UCQKPKSFSA-N	490.991	5.150	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409171573	DVWWZRCIGHURKX-VXLYETTFSA-N	460.748	6.152	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Cl	409242398	UPXJTPCWIKWKPP-WOJGMQOQSA-N	489.906	5.289	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)SC1=S	409329427	FNUJDBPLUMJJMC-UYRXBGFRSA-N	492.460	6.038	10	40	JKCB	
CCn1cc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)c2ccccc21	409352771	ZENVLCQADOXFNK-NVMNQCDNSA-N	477.836	6.483	10	40	JKCB	
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	9310550	MALONFQKRLCPRP-XYGWBWBKSA-N	463.537	5.479	10	40	JKCB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2C)cc1	10112143	XUNVSTRGHWUHLG-UHFFFAOYSA-N	477.630	5.025	10	40	JKCB	
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(C)C)C2=O)c1	13514247	SMNSSKDYAZDTKU-JLPGSUDCSA-N	491.682	6.575	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	14132654	VOQHTUHKWXASLL-UDWIEESQSA-N	481.335	5.547	10	40	JKCB	
CCN1CCN(Cc2c(O)ccc3c(=O)c(Oc4cc(C)ccc4C)c(C(F)(F)F)oc23)CC1	19793130	NSMOAZCTTADGQP-UHFFFAOYSA-N	476.495	5.064	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	30904761	MBUXLPNXRXKFRU-HFUGBDTNSA-N	467.337	5.921	10	40	JKCB	
O=C1/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(C(F)(F)F)c1	32598185	QKIFLLSCCUEGMX-NQNIFKOFSA-N	470.881	6.142	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1	34857732	TYNRWUYAQIFVAQ-ICALIKLASA-N	492.601	5.127	10	40	JKCB	
COc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)S2)c(OC)c1	35042724	JGJPUCLDAUDBSP-ZVHZXABRSA-N	460.555	5.674	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc(Cl)c1OCc1ccc(C)cc1	59135224	RXESRDPMXCKNDB-RGVLZGJSSA-N	494.906	5.882	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(O)cc1	223859369	OCGZAJKTKNTSDJ-RPBOFIJWSA-N	456.571	5.077	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1F	224012958	ZVHWHYHQPUYQTI-CLJLJLNGSA-N	486.572	5.534	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	224337973	QKEOJXHHGFZGDD-SXOMAYOGSA-N	496.636	5.927	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224432159	FTLFLMTZOZWGIF-RRPNLBNLSA-N	470.617	6.368	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)nc1	224610027	UVWOUAZIDPRTFL-RPBOFIJWSA-N	455.587	5.075	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21	260921078	OHLNAXPUEHMZIB-SVBPBHIXSA-N	483.685	5.956	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	408802795	HNIXEJQDKUQOND-CJLVFECKSA-N	496.950	6.047	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1	408894963	JXRCDJOXSMAFQQ-QGOAFFKASA-N	467.308	5.239	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	409058058	SCRGQOSZTORKPL-JLPGSUDCSA-N	456.542	5.288	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)ccc1Br	409232743	PGZDRSLVRLORIB-CIAFOILYSA-N	484.781	5.916	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)c1	409346994	PGSKXQLXAUKJRH-LPYMAVHISA-N	494.619	6.302	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c1	1809558	APJPGTOAVCLLQT-JLPGSUDCSA-N	489.666	6.390	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cc(C)n(-c5ccc(F)c(Cl)c5)c4C)C(=O)N=C3S2)c1	2180446	MRBWNZJIFDZROL-SDYPZFMASA-N	491.979	5.863	10	40	JKCB	
O=C1C[C@H](c2ccccc2)Cc2c1cc(-c1ccc(Br)cc1)n2-c1cccc(F)c1	2512763	MDLFGIZMQMLATH-LJQANCHMSA-N	460.346	6.959	10	40	JKCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc12	6147928	DQHDGEURVWNDAG-AWEZNQCLSA-N	465.899	6.602	10	40	JKCB	
O=C1N=C(O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1c1ccc(F)cc1	8743583	ZSFUHJPJVFWYCO-KQWNVCNZSA-N	469.472	5.366	10	40	JKCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S	8765572	JMQDKVHTUCIING-PYCFMQQDSA-N	455.645	6.637	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1	9113242	GNGZKGMLDBTATL-VXCWRXKNSA-N	486.568	5.128	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC(=S)N1c1ccccc1	9762184	BTLZAJMDLWYGQR-QJOMJCCJSA-N	482.026	6.594	10	40	JKCB	
O=C(Oc1ccc2ccccc2c1)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	13632958	LPWKMALQNCFLOY-FKCDAAJZSA-N	462.505	6.794	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)c([N+](=O)[O-])c1	20238820	LWJSAQOSFZDJLQ-LWCDXBROSA-N	472.482	5.168	10	40	JKCB	
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C(C)C)ccc2C)SC1=S	27026554	ORCHACDZNJUYGI-JLPGSUDCSA-N	491.682	6.209	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)S2)cc1	35176180	DZAUMKGKWITANB-HAHDFKILSA-N	457.555	5.403	10	40	JKCB	
O=C1/C(=C/c2ccc(Sc3ccccc3)o2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422584	WYORMWQVUWYFDC-JAIQZWGSSA-N	496.679	5.880	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208236500	CYEUFRWSYCGVEW-RVZJCZPVSA-N	496.405	5.146	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224234906	YQFWUKNNFQAKHB-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C	224300031	GCHUEVXZEAPYGE-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccc(F)cc1	224367456	VYVZQFQUCQDCFI-IZLXSDGUSA-N	484.644	6.929	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ncccc3C)c2C)c1	224845431	BUUKKRCHVMJDOZ-CLJLJLNGSA-N	499.640	5.387	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)cc1	225503726	KISLUCUHDJQBNE-IZLXSDGUSA-N	495.652	5.409	10	40	JKCB	
COc1ccc2cc(C3=C/C(=C/c4ccc(OCc5ccccc5Cl)cc4)C(=O)O3)ccc2c1	408722547	KFEXIIQEAJHBNA-OYKKKHCWSA-N	468.936	7.062	10	40	JKCB	
COc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc(Br)c1OC	408742058	MROXPBNVZGZLHI-NTUHNPAUSA-N	466.125	5.210	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)c1	408774710	XRMXYUDYOSFHLU-MFKUBSTISA-N	455.558	5.501	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)c1C	408775491	HQPRDZAGUZGZLQ-XIEYBQDHSA-N	491.616	5.901	10	40	JKCB	
CCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1=O	408823945	GABXPBNIGDEQRI-ZROIWOOFSA-N	487.261	5.467	10	40	JKCB	
O=C1/C(=C\c2ccco2)N=C(c2ccc(Br)cc2)N1c1ccc(Br)cc1	408841483	JIBHVHOEQLDMJT-LDADJPATSA-N	472.136	5.639	10	40	JKCB	
CCCOc1cc(OC)ccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408875473	FWAKXNHJWLOGTR-UHFFFAOYSA-N	456.498	5.067	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1Cl	409035498	PTVZHTCOXMWMAG-UASDCXGESA-N	493.259	6.672	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409055985	QPNPLNSWZXUHJZ-MYKKPKGFSA-N	495.406	6.587	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409058031	RRPYICQQIXZQBP-QQXSKIMKSA-N	454.570	5.584	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)SC2=S)cc1	409328563	XQWNGAJIWDODRZ-FYJGNVAPSA-N	499.997	6.191	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)cc1	409348228	RQDIEHJYFGEMSL-NVMNQCDNSA-N	459.390	5.735	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)n1-c1ccc(F)cc1	2679409	RGWMRXCMFXSATH-UHFFFAOYSA-N	473.598	6.880	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1Cl	6600609	DFLZKYVYVSZGKF-CIAFOILYSA-N	481.375	7.261	10	40	JKCB	
O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1	8843387	MQPXPJSCLPCBBH-UHFFFAOYSA-N	461.465	5.371	10	40	JKCB	
CN(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)/C=C/c2ccccc2)cc1	9271724	NYTSLFJDMFHKHZ-AZYSCILLSA-N	474.402	5.906	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S	9311429	PPLYAMBRVPONNA-UNOMPAQXSA-N	486.435	5.122	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OCC(=O)c1ccccc1	13097108	SRSVMGMHCBIUJX-MYYYXRDXSA-N	472.566	5.656	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	13810704	WIQKUGSFHNWDCU-DSPHMVOISA-N	492.526	6.417	10	40	JKCB	
Cc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Br)N3)c1	58850173	XJIZBAYEDIOUCO-DFIYOIEZSA-N	495.442	6.385	10	40	JKCB	
CCOc1ccc2nc3cc(/N=N\c4c(C)c(CN(CC)CC)cc(C)c4O)ccc3c(N)c2c1	104202418	ZYQXDYJKPNVUDL-MVJHLKBCSA-N	471.605	6.949	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c2C)cc1	106737245	VRIUXQNCAMBMQT-RMORIDSASA-N	496.972	5.721	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106769803	NDUWSGMROHOQID-GRSHGNNSSA-N	478.401	5.060	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)c2C)cc1	223894973	TUSAJNFSYASRMA-WDYNHAJCSA-N	495.696	6.295	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)cc1	224233919	HGJQXHAYLPZSGY-SXOMAYOGSA-N	452.627	6.283	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	224558589	NZXFYYPLBPMBCV-RPBOFIJWSA-N	455.587	5.070	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	224573987	SXAMJWCZTNDYPB-UIOOFZCWSA-N	469.614	5.378	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)nc1	224904981	JJTITGIADRNDQW-UIOOFZCWSA-N	471.605	5.817	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\Nc1nc2ccc(C)cc2s1	408535981	UZXTUQDXEYDWHZ-GDNBJRDFSA-N	455.381	5.703	10	40	JKCB	
O=C(COc1ccccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O)Nc1ccc(F)cc1	408576601	PZKASCKMXUWLDD-KQWNVCNZSA-N	492.597	5.287	10	40	JKCB	
CC(=O)c1ccc(NC(=S)Nc2ccc3nc4c5ccccc5c5ccccc5c4nc3c2)cc1	408735009	IZMCVHPPRUPSIZ-UHFFFAOYSA-N	472.573	7.101	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccccc3)cc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	408737726	WFVYRIPVMYIHHU-ZXVVBBHZSA-N	475.504	6.008	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccccc2Br)cc1	408764328	MHAXTRWCQBDSSA-KGENOOAVSA-N	496.202	6.355	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	408778103	AXVHTZYLPJHBOF-YBFXNURJSA-N	468.340	5.376	10	40	JKCB	
Cc1cccc(COc2ccc3ccccc3c2/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1	408802381	ZPXSBKMIZNQIID-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408948778	GQTSQMKTZRATIM-JVWAILMASA-N	497.639	5.667	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)NC1=S	409118189	PCWYAGMBWBEUKW-AQTBWJFISA-N	499.444	6.284	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409126046	AOWCVUDGRCEJTE-UCQKPKSFSA-N	485.436	7.070	10	40	JKCB	
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O	409159172	ZIRHOPZJAFZRHO-HYARGMPZSA-N	459.571	5.386	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3coc4c(Cl)cc(Cl)cc4c3=O)SC2=S)cc1C	409383024	QRBSVKGJGVCVJE-FMQZQXMHSA-N	462.379	6.122	10	40	JKCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1	2274189	PNUCFUBKEBXOAW-UHFFFAOYSA-N	483.637	6.358	10	40	JKCB	
CCN(CC)c1ccc(NC=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)cc1	9009006	ODDXPNMDVQBULC-UHFFFAOYSA-N	470.598	5.194	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1	9805540	FWQHYJVZMRDMME-JCMHNJIXSA-N	467.568	5.147	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)SC1=S	9849520	LMHLETZVDGSLKJ-QQXSKIMKSA-N	468.647	6.966	10	40	JKCB	
COc1ccc(/C=C2\SC(=O)N(CC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1OC	12599948	ISYBZLAMKXLFRL-CFRMEGHHSA-N	494.544	5.170	10	40	JKCB	
COc1cccc(OCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)c1	13940196	IDXGXSNRVMMLHW-KQWNVCNZSA-N	463.580	5.559	10	40	JKCB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1	27015592	WBBGXCBHZZOJNF-VLXXUZNNSA-N	486.014	5.339	10	40	JKCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	34378196	JSGFMHONLPQXHR-CDLVGDAQSA-N	464.403	5.341	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2C)cc1	34762211	CPUQTBFRFYGSOX-FISJVANTSA-N	499.596	5.191	10	40	JKCB	
O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	89825916	XZIBCJKEAMMXOM-MUUNZHRXSA-N	480.903	5.896	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21)c1ccc(Br)cc1	102986162	YKJMQPTYJSHAOV-MCEIDBOGSA-N	490.397	5.642	10	40	JKCB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c2C)c1	144220346	UXVPCLSXHUBKJC-BKUYFWCQSA-N	466.946	5.775	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)cc2[C@H](C)CC1(C)C	208324721	OWNLUCLBAYQCQB-QHSFOXILSA-N	491.657	6.091	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc2ccccc12	223381072	MWMOIYKHQGKJMY-IHLOFXLRSA-N	488.660	6.815	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1	223384705	GRYQGQKRQQZULQ-UIOOFZCWSA-N	473.045	6.315	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)cc2[C@@H](C)CC1(C)C	223537458	UDYQUDXXEGGZAL-SXZORUHJSA-N	461.631	5.247	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223727444	RJXQWXFZBCZUFG-LOSJGSFVSA-N	497.064	5.377	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224431584	PNJOKMUKKLVAFN-IZZNHLLZSA-N	456.590	6.114	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)c(C)c1	224437019	FSJQWQRSHFOTOJ-IAPPQJPRSA-N	484.644	6.731	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	224464687	FAUHHPPVLQEZBR-LOSJGSFVSA-N	493.463	6.973	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OCc1cccc(Cl)c1	408532691	VGRHTBASJQLKBD-NVNXTCNLSA-N	470.797	5.179	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)c(O)c1	408634088	OULNALDRDUVAOX-MOSHPQCFSA-N	472.998	5.388	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1[N+](=O)[O-]	408737328	BUSMXHTVIMYCLT-CPNJWEJPSA-N	461.315	6.137	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)ccc1Cc1cc(C)cc(C)c1	408866824	ISNDMLWXUDHVMZ-LFVJCYFKSA-N	468.553	5.268	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)cc1Cl	408868170	NSAQZDSZINNUSP-UDWIEESQSA-N	499.781	6.212	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)c2C)cc1	408932194	USTCRIRIOLLJFB-UCQKPKSFSA-N	477.561	5.471	10	40	JKCB	
O=C1/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1	408973338	YNNDTZWPWUIYFN-ULJHMMPZSA-N	472.466	6.767	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SCC(=O)Nc2ccccc2)=N1	408992843	URNIUCNHDZQIOL-SANMLTNESA-N	499.640	5.038	10	40	JKCB	
COc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409040429	IDBVXZLJECZCFP-WTKPLQERSA-N	451.178	5.504	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C(=O)OC)c1C	409059856	XZXHTUSDZBRCHH-XYGWBWBKSA-N	498.579	5.375	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409060770	XSSDDFPFMJCRFP-OYKKKHCWSA-N	490.987	5.942	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3cccc4ccccc34)c2)SC1=S	409205517	OKZPLERRDCJNQA-PCLIKHOPSA-N	470.619	6.375	10	40	JKCB	
CCCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c2ccccc21	409329578	GEWWMOSEUKMLJF-NDENLUEZSA-N	470.019	5.559	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(F)(F)F)o3)SC2=S)c1	409346917	OURCYHGAOOIYER-XDHOZWIPSA-N	477.554	7.093	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccc(F)cc1	2233536	HIUWAGBQUVQRMO-FYJGNVAPSA-N	457.436	5.475	10	40	JKCB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C1=O	13787740	PROHNLRRZLTDRT-FUDKSRODSA-N	499.350	5.149	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c(C(=O)O)c4)o3)C(O)=NC2=S)cc1	17145811	MZTLEFIMSJQMKL-DEDYPNTBSA-N	460.511	5.187	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	18181381	HLFHSYJAXJWWQG-PDGQHHTCSA-N	497.334	5.073	10	40	JKCB	
O=C(Oc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1	26965753	SBJQQKZBFUJBSR-STZFKDTASA-N	476.535	5.215	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C2=O)cc1	27520673	OFEHAFMFVPFPJP-DEDYPNTBSA-N	491.341	5.843	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1	35645287	TXNUARFBIKXDAT-HZHRSRAPSA-N	464.974	6.400	10	40	JKCB	
O=C(CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1)N1CCc2ccccc21	44086346	NPOHKPIJLPLMIT-UHFFFAOYSA-N	470.554	5.188	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)cc1Cl	59136259	FLKJUKYCZAELRM-RVDMUPIBSA-N	484.892	5.197	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OC(=O)c1ccccc1F	97990650	GXVMVOYUEHPYTI-HYARGMPZSA-N	462.502	5.444	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC(=S)N1C[C@@H]1CCCO1	98086802	VCYBQZMASKZDCX-QFVADWCQSA-N	464.612	5.101	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2C)c1C	223059365	YJFWXPCPSDKFNM-ZEQRLZLVSA-N	469.054	5.460	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	223411469	QODLJJONVAGJPW-SXOMAYOGSA-N	484.669	5.895	10	40	JKCB	
Cc1nc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(Br)cc1Br	223950036	WQJYGPGCLLPWRE-UHFFFAOYSA-N	484.261	5.002	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C	224267820	JFJKIGSGSYQBMH-SXOMAYOGSA-N	487.072	6.936	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C	224467785	YLSCORPDXCGRLY-XNMGPUDCSA-N	487.072	6.936	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccc2C)c1C	224570694	VYFCNIYGKMETGW-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224904624	KJPYCYKJFDNWQK-UIOOFZCWSA-N	471.605	5.817	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1C	408574806	MTPOFDKWWOMWGO-UCQKPKSFSA-N	492.597	5.866	10	40	JKCB	
CCc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O	408575931	PAKWYLOEDNUCOY-JLPGSUDCSA-N	488.634	5.981	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)cc1	408758608	NQNFUUIBOSLKMO-PXLXIMEGSA-N	480.793	6.003	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c(OCc2ccc(C)c(C)c2)c1	408798446	IIRDGCVCOBHVFJ-ZVHZXABRSA-N	484.552	5.174	10	40	JKCB	
Cc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3cccc(Br)c3)C2=O)cc1	408843697	RUCMKYGHOHKBOP-FYJGNVAPSA-N	496.202	6.355	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2ccccc2Cl)c1	408891481	RFPASRUPDOBSQA-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OCc2ccccc2Cl)c1	409034058	GYFNDOUXHHMDOR-YBEGLDIGSA-N	492.831	6.421	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(Cc3ccccc3)c12	409148409	PQFJAEPBQFKNHW-UCQKPKSFSA-N	458.608	6.246	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1	409329244	CRFNQHLBCPOLDO-PXLXIMEGSA-N	451.592	5.331	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)c(C)c1	409334380	XGEQWYOUADUPDB-ZDLGFXPLSA-N	471.966	6.084	10	40	JKCB	
Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1CC(=O)NC1CCCCC1	920552	DMZJCPGUWHSSCK-UHFFFAOYSA-N	494.636	5.486	10	40	JKCB	
CC[C@H]1CCCCN1C(=O)CSc1ncc(-c2ccc(Cl)cc2)n1CCC1=CCCCC1	1340138	XYJAVPSBCIWKKW-QHCPKHFHSA-N	472.098	6.977	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O	1792459	QZEQFTGISIOVNC-SXGWCWSVSA-N	497.823	5.038	10	40	JKCB	
Cc1c(-c2ccc(/C=C3/SC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cccc1[N+](=O)[O-]	3764299	UYTGODACDBAEOS-VXLYETTFSA-N	474.922	6.362	10	40	JKCB	
COC(=O)c1ccc(Oc2c(C)oc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1	8441876	FKKYOAOGEUZDPO-UHFFFAOYSA-N	459.498	5.018	10	40	JKCB	biogenic
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1	8819783	BXGQKEAVKDWQOB-BKUYFWCQSA-N	468.600	5.124	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	8821465	DHLPCQATCGUBEI-DEDYPNTBSA-N	470.413	6.677	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1Cl	9232299	WFCKTDQRVVSBOY-WOJGMQOQSA-N	494.446	7.152	10	40	JKCB	
CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2C	12652709	HWUDKCSLGRQSFZ-UHFFFAOYSA-N	488.031	6.032	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(O)=NC2=S)cc1	17124336	OGFJVZRJSFMDMW-BOPFTXTBSA-N	457.338	6.233	10	40	JKCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)Nc2ccc(Cl)cc2C)cc1	20289135	IGDZXRYAZBOORG-KQWNVCNZSA-N	476.920	5.702	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCc1c(Cl)cccc1Cl	23402426	ZDHUTBJUXORCPW-ZHZULCJRSA-N	481.379	6.777	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	33616260	NVBUVRAIYWFFGH-DTVDJLOLSA-N	475.976	6.768	10	40	JKCB	
CCCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1	34718721	LSQLWUYOVILKMY-VHDUERLVSA-N	463.607	5.692	10	40	JKCB	
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2	58850146	PTNZOFMPKBALSC-GLDPYIMESA-N	481.415	6.076	10	40	JKCB	
O=C(Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	103754870	NNMORHYYBYLXOL-LGUFXXKBSA-N	489.487	5.649	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223350099	VCKTZYDEDSBNOQ-RSXGOPAZSA-N	456.615	5.872	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)c(C)c1	223502046	BBDJSRBVKXTQDM-IAPPQJPRSA-N	481.669	5.982	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	224339632	WQZYWCIRBUQFDQ-NSOVKSMOSA-N	496.636	5.957	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccc(Cl)cc1	224433293	VVVSTSGLLDVSMU-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)N=C2c2ccccc2Cl)cc1	408761642	AHPPNYCTVGMIJE-XQNSMLJCSA-N	460.917	5.360	10	40	JKCB	
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O	409151305	ALMHIWQAJLAIED-MTJSOVHGSA-N	490.537	5.245	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	409152810	BUGMZTMHVXEDLH-GOHWNWGWSA-N	452.450	8.421	10	40	JKCB	
CCCCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC	409329774	HWCGZPYGFYSQNC-XDHOZWIPSA-N	467.534	6.299	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)SC2=S)cc1	409332614	QPUGHSSJSXHRKV-BKUYFWCQSA-N	465.552	5.758	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	409343785	GMKDDZOVMBIKOO-VIZOYTHASA-N	471.343	5.412	10	40	JKCB	
Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c(O)c1CN(C)C[C@H]1CCCN2CCCC[C@@H]12	1565520634	ZLLVABAJBJUAOJ-BVAGGSTKSA-N	474.645	5.403	10	40	JKCB	biogenic
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc12	1747787	RALOMJUFWMBISX-GFCCVEGCSA-N	486.317	6.866	10	40	JKCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)S3)CC2)c1	2415707	MEOKCRRLKQRNLN-HAHDFKILSA-N	498.435	6.354	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)c(C)c1	2443468	PGMRVCOOQREEPV-KGENOOAVSA-N	460.917	6.043	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)c(CN3CCC[C@H](C)C3)c3oc(-c4ccccc4)cc(=O)c3c2O)C1	9043311	XSJQHACBDRANOR-PMACEKPBSA-N	476.617	5.335	10	40	JKCB	biogenic
COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OCc1ccccc1F	9232474	OZISVIVFQZUVAJ-OEAKJJBVSA-N	481.570	5.828	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	13810782	BQFUPAXJUZETAF-HHTSZTKCSA-N	493.419	6.705	10	40	JKCB	
N=C1/C(=C/c2ccc(OCCCOc3ccccc3)c(Br)c2)C(=O)N=C2SC=CN12	13881190	HNDGXDIPSRMUJR-YHBINRDGSA-N	484.375	5.074	10	40	JKCB	
O=[N+]([O-])c1ccc(/N=N/c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)s2)cc1	16487884	LVTRCEFDSSSYKG-BYYHNAKLSA-N	450.523	8.695	10	40	JKCB	
CC(C)=CCC/C(C)=C\C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O	17175887	BCPWMPCOEAOEDD-PWAOMSCRSA-N	481.416	6.082	10	40	JKCB	
CCOC(=O)c1ccc(/C=C2/C=C(c3ccccc3)N(c3ccc(C)cc3Br)C2=O)cc1	17264966	HJOPFFJWPKZXDS-JWGURIENSA-N	488.381	6.406	10	40	JKCB	
Oc1ccc(Cl)cc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccccc3)=NN12	17729433	RAKDZEAXRLIBMZ-KNQAVFIVSA-N	455.739	6.050	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(C)c(C)c4)cc3)C(=O)N=C2S1	36082031	LRTCALRIUDGVGK-CLJVFQDKSA-N	490.629	5.817	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1C	41076302	VEZGMVPHAJYBCH-BBAYTJCTSA-N	465.888	5.237	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	222965599	FJSMSPVTXHRZCY-PKTZIBPZSA-N	483.479	6.024	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1	223308366	BUIRQDMIMYGZCK-HRNNMHKYSA-N	460.647	5.203	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171759	NNSRPZIDYIHOMA-FTJBHMTQSA-N	473.045	6.628	10	40	JKCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)c(OCC)c1)N2	408736057	CJQZYEPYZZXXTO-UQARTHHBSA-N	469.581	6.668	10	40	JKCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)S2)cc1	408783485	PQCIOOKDRURTKS-LKWZWFHSSA-N	475.614	5.351	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1Cl	408833054	RIUMSVUPOFDWJE-HYARGMPZSA-N	490.943	5.293	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	408868567	PGWTVTZKLHDVQJ-XYGWBWBKSA-N	454.570	5.897	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4Cl)ccc4ccccc34)C2=O)c(C)c1	408868603	PKHSMOSRWULNSW-KOEQRZSOSA-N	494.978	6.367	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(Cc4ccccc4F)c4ccccc34)C2=O)cc1	408984077	PPVYVKNTBKQRRH-JLPGSUDCSA-N	481.527	5.366	10	40	JKCB	
COC(=O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)ccc1Cl	408988006	ZUINARGTNKMVQJ-GZTJUZNOSA-N	484.766	6.905	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1	409137592	WCJDHQBMVBMOFM-ULJHMMPZSA-N	459.571	5.172	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)SC2=S)cc1	409349962	WRBKAAPWGHPMEO-NDENLUEZSA-N	468.512	5.278	10	40	JKCB	
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1c1ccc(Br)cc1	409351142	ZRHICRQHJXAELQ-XSFVSMFZSA-N	468.397	6.647	10	40	JKCB	
Cc1cc(=O)oc2cc(OC(=O)[C@H](C)Oc3ccc4c(-c5ccccc5)cc(=O)oc4c3)ccc12	1737620	QPUQVALGCLVELQ-KRWDZBQOSA-N	468.461	5.248	10	40	JKCB	
O=C(O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4F)cc3[C@H]3C=CC[C@H]32)cc1	4172123	YOIPRVFBDLXVCK-XLNZFTOWSA-N	464.518	5.151	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)ccc1OCC(C)C	8497051	MYTMRMGQGTXVMD-LPYMAVHISA-N	450.535	5.101	10	40	JKCB	
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	8765584	SHFPKYQTFIQIPV-STZFKDTASA-N	468.600	5.124	10	40	JKCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1	9281988	UXUQPYYLQCQFGZ-FCPKPPMJSA-N	482.613	5.670	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)cc1	9457142	NERLYGWCJPWALI-UHFFFAOYSA-N	491.616	6.151	10	40	JKCB	
Cc1ccccc1COc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl	9460783	CUPHLGQKPNNQBR-HIHWOFHQSA-N	487.972	5.290	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)SC2=S)c1C	9721046	OUUVXRBZNPYHGD-QQXSKIMKSA-N	468.647	7.270	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	11859516	KVINNEUXOBBPAZ-RPPIVITFSA-N	494.374	6.826	10	40	JKCB	
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)c1	13069708	UYEHTTSRGUZPBX-QGOAFFKASA-N	498.945	5.995	10	40	JKCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1Cl	15906219	RMSPSEIILXXJLW-WOJGMQOQSA-N	496.988	5.870	10	40	JKCB	
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)cc2)SC1=S	16713585	YDVDPBCNHMNVHM-CGSBDIPDSA-N	484.470	6.183	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(O)=NC2=S)cc1	59137951	NUYZFHLKCSLSPO-XSFVSMFZSA-N	464.568	5.810	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(Br)cc1	100510889	BEFPVSCEBHQPJG-IUBFCHALSA-N	454.353	5.756	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c2C)cc1	106720988	PUUMRICRWMMRTM-UUYOSTAYSA-N	487.408	6.646	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)cc21	208441648	HZTIZAHYZAJWCG-MTJSOVHGSA-N	483.431	6.317	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	208707817	UIJGDVVPLIFBME-JAIQZWGSSA-N	459.423	6.807	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1-c1cc(Cl)ccc1O	223337982	IJEHOCFJGZNMBP-DNQXCXABSA-N	479.005	5.614	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2	224170681	CKRSPAAOVMVJKK-IZZNHLLZSA-N	468.582	5.395	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224220748	KNSWXVBGLVYJGI-SXOMAYOGSA-N	496.636	5.761	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1C	224267775	JFJKIGSGSYQBMH-KAYWLYCHSA-N	487.072	6.936	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccc([N+](=O)[O-])cc1	408724251	IYNNKSNYUIPNNH-XSFVSMFZSA-N	462.508	5.220	10	40	JKCB	
O=C1S/C(=C\c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)C(=O)N1c1ccccc1	408727271	PNPJPJIUFGNZLP-FNCMLCAZSA-N	469.444	7.067	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1	408901211	CBWQEXZJWSUHEV-CIAFOILYSA-N	451.353	6.687	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1	408905152	ULMHUAUHTGSBCF-HYARGMPZSA-N	491.341	5.532	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)c(OC)c1	409000044	MGNDTRPQLVHYOG-FYJGNVAPSA-N	497.776	5.954	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2C)c1C	409017003	UTZVEALRRGJXJS-IWIPYMOSSA-N	458.533	5.727	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409062244	QOJCNMWAUPAHOI-IWIPYMOSSA-N	486.568	5.297	10	40	JKCB	
COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O	409235807	BTKWCXNDHRQXBM-BKUYFWCQSA-N	487.419	5.685	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1-c1ccccc1F	409249681	VDCXKHCVMDGHPN-CIAFOILYSA-N	483.952	5.562	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)ccc1OCC(C)C	409343478	HSTCXJVYPFNEGV-MTJSOVHGSA-N	459.658	6.248	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)SC2=S)c1	409352773	ZERRXBOHOGBERX-CIAFOILYSA-N	482.608	6.599	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1Cl	1160692	ZZSCMTTZUSBGHO-UDWIEESQSA-N	491.887	5.642	10	40	JKCB	
Cc1cccc(Cc2cnc(NC(=O)CCN3C(=O)/C(=C/c4ccccc4)SC3=S)s2)c1	1301026	LFIORWVZVJFUHF-ZHZULCJRSA-N	479.652	5.272	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)ccc1OC(=O)c1ccc(C)cc1	2969503	LSGMKAKMVUYTFW-WCIBBKAISA-N	489.618	6.185	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2cc3ccccc3oc2=O)c(C)n1-c1cccc(C(F)(F)F)c1	3357328	OCFKYQSMSJOOCT-UHFFFAOYSA-N	469.415	5.259	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(C(=O)OC)=C2C)cc1	3652137	WVXMUPHWCFBQMF-ONUIUJJFSA-N	498.579	5.456	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)c(OC)c1	8821546	OTBUKKBXJQBNGS-CIAFOILYSA-N	482.539	5.586	10	40	JKCB	
CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccc(N(C)C)cc1	9075907	NUNZVQCWCLIKRE-PXJZQJOASA-N	466.666	5.663	10	40	JKCB	
CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	9260594	CGRQGTDVPZDGKJ-DEOSSOPVSA-N	456.933	5.596	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1Cl	9291389	VLBGGLLKJXOCOA-HBDRGQTGSA-N	496.036	5.956	10	40	JKCB	
Cc1ccc(C)c(SCc2nc3sc(C(=O)N[C@H](C)c4ccccc4O)c(C)c3c(=O)[nH]2)c1	13006742	ZYBLWWBPFASAIV-MRXNPFEDSA-N	479.627	5.399	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3CCOc3ccccc3Cl)C(=O)N=C2O)cc1	17058847	ILWTXUSDLMJJND-YMNYDYPGSA-N	491.975	5.605	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	41083081	BVZWMJBYQPOSKM-MBYGRGGXSA-N	468.026	6.255	10	40	JKCB	
CC[C@H](C)c1ccc(OCCn2cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c3ccccc32)cc1	41083723	NSNZVYPSWNZJCR-RJMHOZGXSA-N	484.625	6.401	10	40	JKCB	
N=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	41108013	RQSCJDVEPLTUPS-PQBVRSPLSA-N	490.947	5.726	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	41108100	QWQFYTOEDLLXIN-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	41108438	OGORIWPMIQRFPO-MNAJPBKWSA-N	495.633	6.171	10	40	JKCB	
COC(=O)CN1[C@H](c2ccc(N(C)C)cc2)Nc2ccc(Br)cc2[C@H]1c1ccccc1	49591201	YIHXJVDDCSMCDC-JWQCQUIFSA-N	480.406	5.204	10	40	JKCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1	85875304	NOAXWIRDPVDHMJ-UHFFFAOYSA-N	459.502	5.606	10	40	JKCB	biogenic
CC(C)n1[nH]c(=O)c2c(-c3ccc(-c4ccc(C(=O)O)cc4)o3)c3oc4c(O)c(O)ccc4c3nc21	85879991	UFEHXLFRCASSLY-UHFFFAOYSA-N	485.452	5.241	10	40	JKCB	biogenic
Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1C	106683670	IDAVTTDJQLXKGH-QRVIBDJDSA-N	450.991	6.601	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc2C(C)=CC1(C)C	208523721	KSQQQDSJPFAXTQ-FYJGNVAPSA-N	480.033	5.502	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)c1	224300652	CUKKWNFCHZOVLD-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	224446045	BNHYCSSWYHDDMD-JLJGYXLTSA-N	457.574	5.227	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1cccc(F)c1	224602632	WTRWVYLFCZJSHL-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccccc2)c1	224855904	YEAFLHVOZRQEHQ-UIOOFZCWSA-N	470.598	5.375	10	40	JKCB	
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1	225655133	AEUPCAAISRVAGH-OAHLLOKOSA-N	455.977	6.643	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(Br)cc2)cc1	408847298	UURNMRBYRCHTOB-KGENOOAVSA-N	478.302	5.200	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1	408900005	QYCJWXPXPVNHLN-IMRQLAEWSA-N	498.579	5.728	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	409048543	RTCLQBWNKYYHDR-UHFFFAOYSA-N	495.362	6.366	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	409339686	KOBDKTRGFKFPBH-HYARGMPZSA-N	488.461	7.731	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	409350527	RRLXTLQZYDUDTG-PXNMLYILSA-N	470.450	5.246	10	40	JKCB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)c1	409374800	ZOMMZOGAWYYJEO-OEAKJJBVSA-N	473.598	5.694	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c1C	980554	BSHHKUWCFQGRGI-UNOMPAQXSA-N	467.953	5.026	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	9210992	CBJJOSXEFGMIDO-CJLVFECKSA-N	483.515	5.758	10	40	JKCB	
Cc1ccc(C)c(-n2nc(C)c(/C=C3\SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)c2Cl)c1	12879891	ZXPPHCCVYHAQDE-ODLFYWEKSA-N	484.002	5.555	10	40	JKCB	
Cc1ccc(OCCCOc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2)cc1C	13942030	JOJUANKBWISXII-XIEYBQDHSA-N	475.635	6.557	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1C	13942331	SBEDZHFZPWHGIV-JLPGSUDCSA-N	490.943	5.081	10	40	JKCB	
Cc1ccc(NC(=O)c2cc3cc(/N=N/c4ccc(Br)cc4)ccc3oc2=O)cc1	18157363	RLHKHHIVHCWZLE-CYYJNZCTSA-N	462.303	6.532	10	40	JKCB	
C/C(Nc1cccc(OC(F)(F)F)c1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	20288399	WCRMQKHTZOCICT-QNGOZBTKSA-N	455.411	5.861	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)ccc1OC(=O)c1cccc(C)c1	26686997	QWNIZZQKHNRDQA-BKUYFWCQSA-N	465.552	5.217	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	33869100	FKJWRXDFHGYVGQ-JTPDXPAISA-N	474.417	6.210	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	41084870	JBEJJSSPCFUILT-KOKPDDJTSA-N	473.646	6.382	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N3)cc1C	58846566	GVALDADEIJIOLD-PPJWLVRDSA-N	475.570	5.839	10	40	JKCB	
COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	58849600	YHSUTNJHVWYINF-WZOHSFFVSA-N	466.990	5.976	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)c(Cl)c3)S2)cc1	107687327	YGQMSWIUVLVIFF-XKZIYDEJSA-N	469.393	6.963	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2[N+](=O)[O-])c1C	222971000	HCFQCHKGGVKHIR-ZEQRLZLVSA-N	479.606	5.179	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(Cl)cc1	223461033	YQQCSGNIESRTMP-DQEYMECFSA-N	474.033	5.710	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223865360	YJGKFECRLBQCOE-DNQXCXABSA-N	455.587	5.075	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224622631	RORKYQWFPIJZFR-CLJLJLNGSA-N	498.608	5.158	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1-c1ccccc1	225342716	ZRCNYNFJMJJXBB-NSOVKSMOSA-N	482.653	6.453	10	40	JKCB	
O=C(COC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21)c1ccc(-c2ccccc2)cc1	226921861	AWGSQHPFBFJFMK-RQNVWYSMSA-N	487.599	6.546	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)cc21	260910115	CBRAFHZECXAUKT-IZZNHLLZSA-N	472.633	6.338	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c1C	408634413	QWTALGYKVZQEDG-BKUYFWCQSA-N	479.989	6.632	10	40	JKCB	
O=C(Nc1ccc(I)cc1)c1ccc2nc3ccc4ccccc4c3nc2c1	408722638	VMVVMHDTEILYKE-UHFFFAOYSA-N	475.289	5.793	10	40	JKCB	
C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccc(OCc4cccc5ccccc45)cc3)[C@H]2C1	408737839	YGGNBLKBBGWDDY-JNGVYSEMSA-N	453.585	8.399	10	40	JKCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408741901	LZTOUVMMAYZERD-LFIBNONCSA-N	464.817	5.930	10	40	JKCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1ccc(Br)cc1	408763537	SQSRIROMPGOOGL-XSFVSMFZSA-N	482.175	6.046	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(Br)cc2)cc1	408841770	LDKMLUWTJJFBLL-FYJGNVAPSA-N	491.341	5.411	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4cccc(F)c4)ccc4ccccc34)C2=O)cc1C	408881023	LGDXBJUXVHMFPV-WPWMEQJKSA-N	478.523	5.853	10	40	JKCB	
Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)o1	408959897	HTOUJSTZCKEGHA-UHFFFAOYSA-N	492.487	5.537	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	409102984	CDXYFVATANFTGC-LPYMAVHISA-N	463.921	5.022	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccc(Br)cc23)SC1=S	409128758	SHSZKHIQWVGHNX-OCKHKDLRSA-N	475.408	5.812	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	409230644	DTPAZXYYLCVYEQ-OEAKJJBVSA-N	476.363	6.402	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC	409331830	OIRFYUQGBOIZEZ-YBEGLDIGSA-N	450.379	5.181	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br	409339700	KTXQXIACCSAEOR-CXUHLZMHSA-N	488.350	6.272	10	40	JKCB	
Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1-c1ccc(F)cc1	1746397	UVQNTQJZCZBFQP-UHFFFAOYSA-N	451.592	6.092	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1C(F)(F)F	2700570	LFJDUAQIQDCLOO-LGMDPLHJSA-N	484.590	6.167	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12	8768019	HGNWMXXVSMSBMB-XFYDVPHZSA-N	491.935	5.121	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(C)c3C)C2=O)cc1	8819751	VCDZDUGUZGODLF-JWGURIENSA-N	452.645	6.012	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9293218	KAWILZJASSUMCQ-DZCSLESKSA-N	484.000	6.086	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CCC5CCCCC5)SC4=NC3=O)c2C)c(C)c1	9293272	SSFGTENNWZAYHI-VMJYKDGMSA-N	487.673	6.691	10	40	JKCB	
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(N4CCCCC4)cc3)ccc2C)c1	10112131	FXHQKNKDSVIAHY-UHFFFAOYSA-N	491.657	5.333	10	40	JKCB	
CCc1ccc(OCCOc2ccc(C)cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1	12629712	RVRRSECRTAQOHY-JLPGSUDCSA-N	479.623	6.010	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCc2c[nH]c3ccc(F)cc23)cc1	20288844	BKNFPXOWQCJRGN-IMRQLAEWSA-N	498.558	5.181	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4N=C(c5ccccc5Cl)SC4=NC3=O)o2)cc1	26642740	HMKKQQSETAKBRR-QOOLADICSA-N	490.928	5.054	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	32109357	ITBHACSHDZISSI-IUSLSNNWSA-N	498.992	5.062	10	40	JKCB	
CC(C)Oc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2O)cc1	59105050	TYQJLXUTOUYCED-VULFUBBASA-N	484.596	6.448	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1Br	100511010	UWUPNYZRZUZXBG-FTGFMQHASA-N	454.353	5.756	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	107677954	ARBYGZVSNCEYRJ-KQWNVCNZSA-N	479.646	5.440	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccc(Cl)c1	223097307	GKWXRSLLOBBYGA-DQEYMECFSA-N	465.066	6.448	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223389194	FQLJXNXVRDDDSR-XTEPFMGCSA-N	466.654	6.279	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223420551	MVJNYELVYGNEJX-KAYWLYCHSA-N	486.616	5.810	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c1C	224011590	MATAQYDVQPXSBS-SXOMAYOGSA-N	482.609	5.703	10	40	JKCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)c1	224273860	SIDKZGIIJOPIIZ-RRPNLBNLSA-N	467.642	5.987	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc2ccccc12	224430357	FADKIHDTECBTGL-FQLXRVMXSA-N	492.623	6.959	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)cc21	260927170	YRWJWURSTQTXNP-DQEYMECFSA-N	491.060	6.249	10	40	JKCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408840007	ACUQRVNQLSWTJP-NBVRZTHBSA-N	459.914	6.297	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)cc1C	408866212	GHKAZUDXEYOHOV-PXLXIMEGSA-N	489.369	5.323	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3Cl)C2=O)c(C)c1	408874769	ALSKFRHGMNDMQX-KGENOOAVSA-N	479.363	5.867	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OCc1cccc(C)c1	408902061	KDVZQMRLLMCAKF-LPYMAVHISA-N	491.385	6.151	10	40	JKCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1	408950458	KJGGMEYCEKQYJC-DIMWJKBGSA-N	498.623	5.998	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409060832	YLQCBVYFMLMKJJ-JCMHNJIXSA-N	474.988	6.242	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1C	409253528	ZKCFOGXTOMBDHF-IWIPYMOSSA-N	467.500	5.112	10	40	JKCB	
Cc1c(/C=C2/SC(=S)N(c3cccc4ccccc34)C2=O)c2ccccc2n1Cc1ccccc1	409328726	ADJJEONUSVWXCD-MTDXEUNCSA-N	490.653	7.557	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(SC)c4)C3=O)o2)c([N+](=O)[O-])c1	409350774	SLTQUYWWFYSQGL-UDWIEESQSA-N	484.580	5.991	10	40	JKCB	
Cc1c(Cc2ccccc2)c(=O)oc2c(CN(C)C[C@H]3CCCN4CCCC[C@@H]34)c(O)c(Cl)cc12	1565520126	NCNVYGWVKBBBHL-RLWLMLJZSA-N	495.063	5.748	10	40	JKCB	biogenic
CCOc1cc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1	2700968	UYRKJHBGJXLWOM-BRLDDBHUSA-N	492.018	5.382	10	40	JKCB	
COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1C	3340929	PCMCUDYIMWBBFP-UHFFFAOYSA-N	450.539	5.012	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2ccc(Br)o2)c(C)n1-c1ccc(OC(F)F)cc1	3416577	AKFGYXSTRPYHSF-CYBMUJFWSA-N	482.277	5.479	10	40	JKCB	
Cc1cccc(OCCCn2cc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)c1	8743495	JNTIITMHPIBUIU-KOEQRZSOSA-N	497.526	6.065	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)SC1=S	8823932	IKJDNVCADYHHGG-LZNAANCOSA-N	460.533	5.008	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccc(C)cc3N12	9090141	OZKHCTXAQCTIFS-CYXNTTPDSA-N	451.497	5.157	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)SC2=S)cc1	9188801	TUIPKIHWJAAHNI-YBEGLDIGSA-N	450.379	5.132	10	40	JKCB	
COc1ccccc1-n1c(/C=C/c2ccc(N(C)C)cc2)nc2ccc(Br)cc2c1=O	9274020	OKJIORONAVYYSR-XNTDXEJSSA-N	476.374	5.393	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	9293226	LAEUXPAXKXZISU-VYIPLNHISA-N	468.026	6.255	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C5CCCCC5)SC4=NC3=O)c2C)cc1	9293616	BTZVVBNMUCBTMR-XTOVRFJNSA-N	459.619	5.856	10	40	JKCB	
O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(/N=N/c2ccccc2)cc1	25393966	YMLPTEBOFVEKJI-OCOZRVBESA-N	457.346	6.182	10	40	JKCB	
Cc1cc(Nc2ccc(O)c(CN3CCCC3)c2)cc(Nc2ccc(O)c(CN3CCCC3)c2)n1	31793051	FBXQFXAAWGJVKU-UHFFFAOYSA-N	473.621	5.480	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1	33149733	KOLQQHGCGXIPSB-QAGNQREPSA-N	464.909	5.715	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCc1ccc(C)cc1	33456845	LFJKNSUNGOFYPF-RXULLKCLSA-N	469.628	5.353	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)cc1	33775059	AMWAPLCCMCEMAB-SDOZFXMSSA-N	471.561	5.463	10	40	JKCB	
Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2Cc2ccccc2)cc1	44086368	BHCPQRXAYIOJSS-UHFFFAOYSA-N	482.436	6.944	10	40	JKCB	
CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(=O)N(c3cccc4ccccc34)C2=O)cc1	59484900	UEMVQKMGRQQGJO-LGUFXXKBSA-N	476.532	6.130	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	102471234	UERXLDSUIUMTTN-DEDYPNTBSA-N	467.403	6.212	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cc(Cl)ccc2Cl)cc1	103922354	UHPOSVAZEHTCND-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(F)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	113830897	HVKFYJSIYYFJKU-CIAFOILYSA-N	466.515	5.719	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223498863	HTZUCNDLDOWRAE-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc21	223515770	ZUUGPDBZBKLFOC-ZVHZXABRSA-N	487.669	5.853	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)c(C)c1	223610037	OZCYQYNLTUBLDM-BTVXTAIASA-N	489.685	5.944	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	224201395	TVHFIKZXESITHB-SVBPBHIXSA-N	452.627	6.283	10	40	JKCB	
Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c1	408663336	HRMLGIQASGQVEH-UHFFFAOYSA-N	496.563	6.231	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)cc1	408800712	ORUHHUWVQAYLCH-OVVQPSECSA-N	490.559	5.956	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1	408900984	BDIGNJIDWVABSH-HZHRSRAPSA-N	491.590	5.768	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1ccc(C(=O)O)cc1	408970720	CNYCOASCGVHYBM-MOSHPQCFSA-N	453.420	5.141	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)C(=O)N(c2ccc(Cl)cc2)C1=S	409014954	QXYNEVCNFKBISC-DEDYPNTBSA-N	494.956	5.170	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409070824	NJNSOIFIQWCJDJ-MOSHPQCFSA-N	494.950	5.772	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccccc1Br	409127042	OVCQJYPAWVFZKM-XQNSMLJCSA-N	495.442	6.526	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)NC1=S	409251692	VSBKBELNSOVYJA-SFQUDFHCSA-N	456.445	5.105	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)SC2=S)c1	409340194	RZQMJBWRSHDWGS-LPYMAVHISA-N	467.612	6.532	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1nccs1	1808822	BIWDHHJJAZZYOS-QINSGFPZSA-N	496.477	5.306	10	40	JKCB	
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3cc(C)ccc32)S1	2181999	RGOSDTMWVFMBRF-CLCOLTQESA-N	481.664	6.200	10	40	JKCB	
CCc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nc(-c4ccccc4)cs3)C2=O)cc1	8871633	SPNPVSHPXNNCSI-RCCKNPSSSA-N	493.679	5.993	10	40	JKCB	
O=C1/C(=C/c2ccc(O)cc2)N=C(c2ccccc2)N1c1nc2cc(Cl)c(Cl)cc2s1	8955274	LMABHVNPRMUNHG-GRSHGNNSSA-N	466.349	6.143	10	40	JKCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)Nc2nccs2)C1=O	12032323	MSCORHUZBFJQEN-FLNGBNSUSA-N	457.646	5.490	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1	13129312	WAKLRMOJLPMITF-UHFFFAOYSA-N	475.545	5.278	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)SC2=S)cc1Cl	13940329	LTTRRXPIEYKNTL-JAIQZWGSSA-N	476.406	6.976	10	40	JKCB	
CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Br)cc2)cc1	16186466	NRVUKHWBDNXCEG-HSZRJFAPSA-N	454.799	6.524	10	40	JKCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(Cl)c(Cl)c2)cc1	20289046	IJFUIRFMQDEDIW-JCMHNJIXSA-N	452.341	6.139	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58846813	XEPIAJBFRUXWJH-IWVFXYMLSA-N	488.653	6.836	10	40	JKCB	
O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2	58847106	CTYRPSJAXCGCRK-YZUZCNPQSA-N	499.405	6.216	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(Cl)c3)C(=N)N12	103563416	NFACPJDKARXRCO-RQUXIJKASA-N	453.951	5.273	10	40	JKCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1	103917590	NJGHWCBQTVVXNG-DIBXZPPDSA-N	470.573	6.336	10	40	JKCB	
CCCOc1c(Br)cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OC	108924341	BNJXYDAQIDYIPL-PDGQHHTCSA-N	461.381	5.637	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222833049	PFQZKRTVFOQHHK-IZZNHLLZSA-N	461.679	5.716	10	40	JKCB	
COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Br)c2)c1C	223054560	IMTGMKBZCARLNM-DHIUTWEWSA-N	499.478	5.261	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1C	224270119	DASFTKJUUOXSDO-SVBPBHIXSA-N	496.636	5.981	10	40	JKCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408694631	LAOFOUFHPBKDBV-OQLLNIDSSA-N	495.782	5.251	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(Cl)c1	408818249	XGKHAZKMHZGKOE-YBFXNURJSA-N	497.334	5.247	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1	408941376	PHLNCYXWQHPMPL-HYARGMPZSA-N	489.369	5.778	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4CC)c3C)C2=O)c1	408960039	IJVGDDSJQXAELJ-BUVRLJJBSA-N	471.557	5.030	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4O)C3=O)o2)cc1	408987776	XXUYGDZUZYWGTL-OQKWZONESA-N	463.489	5.910	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S	409210694	KQWCFODNZJLPDR-JLPGSUDCSA-N	473.623	5.676	10	40	JKCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C(=O)NC2=S)cc1	409244474	DELSSJUEIQCUJI-DEDYPNTBSA-N	499.082	6.507	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)cc1OC	409328312	RVJYTTBHGKJNDT-WOJGMQOQSA-N	477.991	5.005	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409383422	UUPXTLSTIMNQKZ-QQXSKIMKSA-N	467.521	5.345	10	40	JKCB	
CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)nc1C	1005850	WKMCNPONSRWODJ-FYJGNVAPSA-N	476.602	5.459	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1Cl	2378595	MHRYRUSQFGKDPJ-RGVLZGJSSA-N	468.340	5.376	10	40	JKCB	
CCN(CC)c1cc2c(cc1C)nc1cc(C)c(/N=N/c3ccc(O)cc3)cc1[n+]2-c1ccccc1	3846897	SFHWNMLVXWQZPI-UHFFFAOYSA-O	476.604	7.249	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1C	9232327	RFPZZRFMWFMBRY-JJIBRWJFSA-N	461.608	6.167	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F	9294952	GVSNHTXLJRBJHI-BUVRLJJBSA-N	479.598	6.205	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c3ccccc3C2=O)c(C)c1	16757167	YAIMEGZXPJAXOH-PKAZHMFMSA-N	498.538	5.719	10	40	JKCB	
CCCCCCc1cc(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(O)cc1O	18127750	BQOPZZKSXKNQIW-BYYHNAKLSA-N	483.594	5.844	10	40	JKCB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1	26675807	VVXIXTUNIGJWNQ-QNGOZBTKSA-N	467.593	5.169	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)c1	33524518	QZHRUUWROPOZOF-HZHRSRAPSA-N	487.606	5.932	10	40	JKCB	
COc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58848903	TWUAZWXUEJUASU-WZOHSFFVSA-N	450.535	5.462	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)c2C)cc1	59198172	RLHTVXCAMPTSBN-FYJGNVAPSA-N	494.345	5.372	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(Nc4cccc(Cl)c4Cl)=NC3=O)cc21	208454647	AJGIOACIWXBSQA-JAIQZWGSSA-N	472.441	7.016	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	223387443	OVYQXQGMOWRHLM-IZZNHLLZSA-N	482.609	5.360	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223975961	KTULIGFMWVQCEX-RRPNLBNLSA-N	497.624	5.330	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	224464613	FAUHHPPVLQEZBR-JWQCQUIFSA-N	493.463	6.973	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)cc21	260912297	FOHSDNWCENPKSU-RPWUZVMVSA-N	479.049	6.132	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)SC(=S)N1c1ccccc1F	408600286	BCFQVQYYNBONQR-CIAFOILYSA-N	473.953	6.603	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)o1	408813927	FCVRHZAURMWDGR-ZVHZXABRSA-N	487.600	5.260	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)cc1C	408815592	XFSHTCIPOQGEKP-LPYMAVHISA-N	478.907	5.341	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	408842800	BNOHSOVZBYWICE-WOJGMQOQSA-N	473.779	6.653	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1Cc1cc(C)cc(C)c1	408870812	UTGKMXAUTRLDSC-KGENOOAVSA-N	474.944	5.223	10	40	JKCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1	408875402	IFRWGTYODKFUBW-HZHRSRAPSA-N	489.369	5.323	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C	408966352	LZNVXARFBFQHSU-XDHOZWIPSA-N	481.980	5.280	10	40	JKCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)c1	408997089	QZAGXZLZPYNXTC-MFKUBSTISA-N	479.536	5.063	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409339070	DTSPLVVKSHMJSQ-KEBDBYFISA-N	476.520	6.658	10	40	JKCB	
Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1C	409344779	KMGHYSFEAYANSX-YDZHTSKRSA-N	494.016	6.039	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C45CC6CC(CC(C6)C4)C5)ccc3OC)SC2=S)cc1	409350606	RVMMMIUQQLKCIZ-MXAYSNPKSA-N	491.678	6.577	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2c(C)cc(C)cc2C)C1=O)=C\c1ccccc1	1860151	VJXFDXJGVBGHHI-RCYLNMRYSA-N	464.656	6.178	10	40	JKCB	
Cc1cc(C(=O)COC(=O)CSc2ccc3ccccc3c2)c(C)n1-c1ccc(OC(F)F)cc1	2618526	ZADZZGTWAYHDED-UHFFFAOYSA-N	495.547	6.367	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4C)cc3[C@H]3C=CC[C@@H]32)cc1	6057144	KGZGQCMXVIVEIS-MCEYFSPLSA-N	474.582	5.409	10	40	JKCB	
O=C(Cn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc21)Nc1ccccc1	8997457	ZIWGLRNAMKQXPZ-XSFVSMFZSA-N	498.539	5.091	10	40	JKCB	
Cc1cccc(-n2c(/C=C/c3ccc(N(C)C)cc3)nc3ccc(Br)cc3c2=O)c1	9452803	MGMIPNRBKXABGI-NTEUORMPSA-N	460.375	5.693	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cc(C)cc(CC)c4)cc3)C(=O)N=C2S1	9553502	QEINSBVWHTZCSF-CLKGNMONSA-N	476.602	5.434	10	40	JKCB	
COc1cccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)c1	20324949	DXHXIRUMZCUQMQ-UNOMPAQXSA-N	474.028	6.640	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	26533735	IPJLKCVIONTONL-ZRHHBIIQSA-N	498.718	5.267	10	40	JKCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)N=C2O)cc1	33398446	PTCXBOYCAOYOSI-HMAPJEAMSA-N	462.889	5.434	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(N3CCN(c4ccc(C)c(Cl)c4)CC3)=NC2=O)cc1	33424628	URXMFQQHUAYNDV-KQWNVCNZSA-N	470.038	5.620	10	40	JKCB	
O=C1/C(=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)SC(=S)N1C1CCCCC1	59417920	LRIFDGTWYDHMTN-XSFVSMFZSA-N	454.573	5.425	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1	100147972	YDKPWZJFEPBGNN-VULFUBBASA-N	463.585	5.541	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208470904	RZFQZCFGYLSPID-FBHDLOMBSA-N	456.970	6.347	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1C(F)(F)F	222827580	KELMJOBQWJKFJF-FGZHOGPDSA-N	458.553	5.889	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222833628	NYLKNTQWSJGPDV-VXKWHMMOSA-N	459.446	6.177	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)C2=O)cc1C	223608709	XRSSFGMMDNEQTG-PGLVWIQMSA-N	473.617	5.779	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	224168375	AQZWUIZLBSTQGZ-DQEYMECFSA-N	468.582	5.364	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)c1	224369263	RUMRZFOLXZJJFP-URLMMPGGSA-N	496.680	6.798	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccc(O)cc1	224870967	AGGXVMUDBIFLAC-DQEYMECFSA-N	491.016	5.731	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(Br)c(Cl)c3)cc2)C1	260735408	HRIJWSUGVKTIEN-GJZGRUSLSA-N	466.876	6.386	10	40	JKCB	
S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1	408735524	QSOTYUJCDUSYSC-OAQYLSRUSA-N	484.628	7.276	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2ccccc2Br)c1	408761421	JZBWIXIYJBCRMH-CIAFOILYSA-N	486.196	6.899	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C1=O	408805322	GGICLNFFTKHUKD-YBFXNURJSA-N	481.335	5.547	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O	408874743	GDOGGFSDIZNLAA-BKUYFWCQSA-N	495.362	5.801	10	40	JKCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccccc2)C1=O	408895778	IRCFBIQGPSDKJE-ZHZULCJRSA-N	491.341	5.003	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl	409016416	IOGFMORQYOHVSN-ZROIWOOFSA-N	452.721	5.533	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409064511	CRXMMWOGPZGBNK-UCQKPKSFSA-N	490.987	5.942	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1-c1ccccc1C(=O)O	409203101	VCFABVRUXHTLQS-MTJSOVHGSA-N	466.946	5.682	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1	409252554	SQSSNPCBHLYUSD-XQNSMLJCSA-N	474.607	5.376	10	40	JKCB	
Cc1cc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	3367524	OQYUWAAOOXDJTR-OAHLLOKOSA-N	469.513	5.296	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)cc1	8820566	CYPXSFGSIKWIPA-XPAFPMRLSA-N	494.638	5.430	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	9159346	QTVFENOODDKURE-MDSNLERGSA-N	495.395	5.463	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)cc1Cl	9188636	LGVVFFKYLGSYIX-NDENLUEZSA-N	474.091	7.355	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccco4)SC3=NC2=O)c1C	9309032	DRKLSZIXLGFEHL-SVBOREBNSA-N	463.950	5.316	10	40	JKCB	
Oc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21	12523837	BXPDOMPVUNTSSC-HXUWFJFHSA-N	471.152	5.906	10	40	JKCB	
CCN(CC)c1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1	12559613	FHHAQDJZQHFQBT-RUZDIDTESA-N	454.599	6.065	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	14480634	IMCMFBQOUXPULF-VYKTZEHYSA-N	474.626	6.329	10	40	JKCB	
Cc1cc(Br)c2c(c1NC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1C2=O	16268832	VOGFVVSAEHLNCU-UHFFFAOYSA-N	469.722	5.830	10	40	JKCB	
Cc1cc(C)cc(Oc2c(C)oc3c(CN4CCN(Cc5ccccc5)CC4)c(O)ccc3c2=O)c1	19794052	WRACOUADZLUMFH-UHFFFAOYSA-N	484.596	5.534	10	40	JKCB	
Cc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)cc1	27549293	RFJGITXTXXYRMV-DZMCVATHSA-N	496.592	5.315	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1F	33528698	YUXYEUSBERVDEX-NVOZUQLISA-N	457.534	5.095	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)c2C)c1	41108339	SAPVJQTWJXRVGR-RSQAEGOUSA-N	499.596	5.109	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21	58847540	NTPKAENASALVNS-DFIYOIEZSA-N	466.990	5.976	10	40	JKCB	
CC1=C(CC(=O)NCCc2ccc(O)c(O)c2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1	101468123	NJLINUQQYUEHIO-BPJGOMGFSA-N	491.584	5.051	10	40	JKCB	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(/N=N\c2ccccc2)cc1	102869414	QWRZOBQASVHVKY-DQSJHHFOSA-N	464.437	6.603	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223495216	KJKFBKMDBSCATL-SXOMAYOGSA-N	467.642	5.619	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)C2=O)cc1	223558083	UCAWGBUGMCBQID-FSTGKYBXSA-N	475.589	5.252	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c(C)c1	223862991	RRJVTKYHVJOESO-IAPPQJPRSA-N	482.653	6.297	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)c2C)cc1	224269596	MIHFQZFKSUVWRO-IZLXSDGUSA-N	482.653	6.292	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)cc1	224398925	ZFFLQBWPSOJBKJ-SXOMAYOGSA-N	470.617	6.368	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1C	225020081	PCNKCPFAJLPNFT-JWQCQUIFSA-N	474.630	5.411	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNc1ccc(Br)cc1C	408536749	XSKALQDNDFEDAQ-YBEGLDIGSA-N	478.188	5.052	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1Cl	408571226	AJZPXDOGTPSGCJ-GRSHGNNSSA-N	461.008	5.276	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C2=O)cc1Cl	408605723	YPKQWBUFIFLFBL-XNTDXEJSSA-N	459.260	5.367	10	40	JKCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)C1=O	409144539	FYYOCZYCJPRZFI-BKUYFWCQSA-N	454.552	5.049	10	40	JKCB	
COc1ccc(CN2C(=O)[C@@H](Cc3ccc(OCc4cccc(F)c4)cc3)SC2=S)cc1	409149403	FHBFMFFFBWWNSS-HSZRJFAPSA-N	467.587	5.385	10	40	JKCB	
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O	409164212	FAJXDHGVWMCJRC-LPYMAVHISA-N	494.016	6.039	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)SC2=S)cc1	409200753	IZOAUDFYPIRYMF-MOSHPQCFSA-N	451.525	5.449	10	40	JKCB	
CCOc1c(Br)cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC	409328948	AVZAFFLHZNDVHZ-SXGWCWSVSA-N	468.369	5.401	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(I)c3)SC2=S)c(C)c1	409345534	JEOHQBUHYYPIDY-CXUHLZMHSA-N	467.353	5.019	10	40	JKCB	
CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(N(C)C)cc1	1764827	QRAXGASPCIUCKX-GDLZYMKVSA-N	458.646	6.501	10	40	JKCB	biogenic
CCc1ccc(-c2c3c(c(-c4ccccc4)n2-c2ccccc2)C(=O)c2ccccc2C3=O)cc1	3139507	GFPZLZBQEFELRE-UHFFFAOYSA-N	453.541	7.149	10	40	JKCB	
CCOc1ccc(S(=O)(=O)Nc2cc(-c3c(O)ccc4ccccc34)c(O)c3ccccc23)cc1	8871909	GJWONICYIWIJKF-UHFFFAOYSA-N	485.561	6.271	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	9290647	ZJOKUNXFQMTSRK-HBDRGQTGSA-N	496.036	5.956	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1	9292347	CBZONFMNGHVSHM-QKRKUQNHSA-N	487.560	5.299	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1	16678630	SSHCUZOSANPKRE-UHFFFAOYSA-N	479.005	6.121	10	40	JKCB	
CCCCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S	16790620	AYHCSDNNDHOFQB-HMMYKYKNSA-N	460.020	6.341	10	40	JKCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C45CC6CC(CC(C6)C4)C5)SC3=NC2=O)c1C	41076329	NULBICHJTXBVFH-RBNBJLAXSA-N	497.668	6.238	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c1C	41076341	MYGIKGNYIGEBLS-ANYROYSUSA-N	480.037	6.255	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1C	41076687	DONCWUJBCYXQEI-VKRJAPGXSA-N	468.582	5.797	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(-c4cccc(Br)c4)o3)C(=O)N=C2S1	41083093	BUHQDUFUUOYPKV-OMLAYDHKSA-N	471.380	5.909	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	41108002	HNZWINRLUDTJDF-NISNYOSESA-N	496.592	5.811	10	40	JKCB	
Cc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(C)n1-c1cccc(C(C)C)c1	48353650	BIMGFLZDFPPTJP-UHFFFAOYSA-N	458.606	5.644	10	40	JKCB	
Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	58848006	TZXJAQXENVCPTQ-CEYNDMKZSA-N	468.981	6.415	10	40	JKCB	
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)c1	58848720	VAKFKBDWAZYONW-SGIRGMQISA-N	466.990	5.976	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1	107912834	VKIXGGCZOWSDJB-BUVRLJJBSA-N	483.568	5.222	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc21	208460074	MIKDFWDOMMDXHZ-UUYOSTAYSA-N	463.559	5.771	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)c2C)cc1	223498808	HTZUCNDLDOWRAE-IZZNHLLZSA-N	469.614	5.065	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1ccc(C(=O)O)cc1	224168444	MCOJLPOJXUCYOO-JWQCQUIFSA-N	468.582	5.364	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224187485	CSPIZASVHAFYBE-FTJBHMTQSA-N	482.609	5.453	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)cc1	224900737	GYXBEJKTODOOOX-SXOMAYOGSA-N	486.616	6.122	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccc(O)cc1	225045392	POQSCLBXKPEPJS-NSOVKSMOSA-N	497.668	5.669	10	40	JKCB	
CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1	408757372	MQUNBYWWXMIBNY-MYYYXRDXSA-N	456.546	5.089	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(O)cc3)C2=O)c(OC)c1	408759920	OCDSTCJXQKVYBY-FYJGNVAPSA-N	479.330	5.006	10	40	JKCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1	408766217	PUFWNHYPMLMHCS-HZHRSRAPSA-N	457.599	5.105	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc(Cl)c4)cc3)C2=O)cc1	408899429	PEYYZKXKPPNTGK-JLPGSUDCSA-N	490.943	5.374	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(F)cc3F)C2=O)cc1Br	408984351	HEZPXFOZOBWTJU-LDADJPATSA-N	482.324	6.597	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)o2)c([N+](=O)[O-])c1	409039446	RBORSNXUJCGULH-QPEQYQDCSA-N	493.344	5.365	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2C)cc1	409127190	BZZWUPMOXTVIPA-NHFJDJAPSA-N	487.669	6.609	10	40	JKCB	
CCOc1cc(C[C@@H]2SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1Cl	409146316	SGAPZWHXYKIXND-NRFANRHFSA-N	464.052	5.745	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)SC2=S)cc1	409347862	NEWKUZWEBVYBDO-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	2076100	CEDXXXLDPLJCAD-YUMHPJSZSA-N	468.597	5.892	10	40	JKCB	
O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\NCCC(c1ccccc1)c1ccccc1	2596193	AGCPZDFNOUXFCU-QOMWVZHYSA-N	491.616	5.283	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCc3ccccc32)cc1OC	3220102	AAIFTBPVZSGAQO-FYWRMAATSA-N	451.526	5.159	10	40	JKCB	
CCN(Cc1ccccc1)c1ccc(/C=C2/N=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1	3258707	NNJJYVGVHWOZFT-XHLNEMQHSA-N	474.560	6.850	10	40	JKCB	
Cc1cc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c(C)n1-c1ccc(F)cc1	3442468	GUXMHPCXJBMXKW-VWLOTQADSA-N	485.990	6.930	10	40	JKCB	
O=C1/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC(=S)N1C1CCCCC1	3768177	QIGZCNIJGNOEBS-KGENOOAVSA-N	488.472	6.562	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccc(C)cc3)C2=O)cc1	8830151	QHPNSYORODDNQJ-SWYXWEQBSA-N	471.557	5.055	10	40	JKCB	
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccc(Cl)cc1	8842969	LWWLFRZLXJMONU-UHFFFAOYSA-N	456.922	5.462	10	40	JKCB	
O=[N+]([O-])c1ccccc1N1CCN(C(=S)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1	8845889	OMZYHBBBDZPYEP-UHFFFAOYSA-N	461.465	5.371	10	40	JKCB	
Cc1cc(Cl)ccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c1C	9293456	RNOGGEKEFGKGRH-SPXSAIPKSA-N	453.999	5.721	10	40	JKCB	
Cc1cc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)ccc1[N+](=O)[O-]	9310254	KFNXIWBZHQDOLT-YBFXNURJSA-N	456.932	6.222	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c2C)cc1Cl	34379022	ZKHOCVHXXFTNNU-XCHKLHEQSA-N	465.888	5.237	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1	34859192	DJFDDDNNPPYTDK-MTJSOVHGSA-N	489.811	7.308	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C(C)(C)C)cc2)N3)cc1	58846044	QVEOMQMGXRTDJU-BXTSTYNKSA-N	472.654	6.920	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1OC	58849490	JVKFKEHLUCTIEY-LZCXECNNSA-N	480.561	5.470	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)c2C)cc1	106701393	YBNQGXGZSNKBCS-JJFYIABZSA-N	487.408	6.646	10	40	JKCB	
Cc1ccc(COc2ccc(-n3c(C)cc(/C=C4/C(=O)NN(c5ccccc5)C4=O)c3C)cc2)cc1	107805340	AAFGKUZHPZVOJO-VEILYXNESA-N	477.564	5.443	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1C	223540272	XJTZDGINZKPRGY-SXOMAYOGSA-N	467.642	5.674	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	223765106	ZWWQQQRIFPIQPY-KAYWLYCHSA-N	498.608	5.404	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(F)c1	223857104	XRZYIDWSEBXJCC-JWQCQUIFSA-N	458.562	5.511	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224601170	ICXMJMCSUWMUQS-FTJBHMTQSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3c(O)ccc4ccccc34)C(=O)N(c3cccc4ccccc34)C2=O)cc1	408726173	QPAGOYRIHQCZTN-ZXVVBBHZSA-N	498.538	6.590	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(F)cc3)C2=O)cc1	408841051	HKFJQYQQLWNRPF-KGENOOAVSA-N	479.305	5.209	10	40	JKCB	
Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)cc1Cl	409009395	FFVQATYXDOJDMP-WOJGMQOQSA-N	498.764	5.176	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(Cl)c1	409045201	FQVRPNQGAWPRGK-HYARGMPZSA-N	459.933	5.472	10	40	JKCB	
CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1OC	409326621	CPGNVKDETYUOGV-UYRXBGFRSA-N	478.433	6.042	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(OCc2ccccc2)c1	409352169	WNAJMJHKSURRDJ-UQQQWYQISA-N	480.699	6.646	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	9232747	PEVXHEHEAYYMRS-YBFXNURJSA-N	462.379	6.668	10	40	JKCB	
Cc1ccc2[nH]c(C(=O)OCC(=O)c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)cc(=O)c2c1	12523523	DSAXEKVTNUKACH-UHFFFAOYSA-N	482.458	5.303	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12	13778946	SRDQRXRHAFINEL-BTSLSPDOSA-N	492.626	5.947	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1	13785991	NCNPPZOBVSPVMN-VTGHKQSHSA-N	469.522	5.428	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccc(F)cc1	13810561	VVBWVIXUDUUNDR-ZAXJVRRPSA-N	485.540	5.718	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1	17138856	VQEJGSFDZBSMIA-JIZKSDINSA-N	499.523	5.358	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c(C)c1	33381986	KIEVOYMDVHGVDR-HZHRSRAPSA-N	483.524	5.432	10	40	JKCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	34865582	WOWRNQOLIZKNHI-GZTJUZNOSA-N	472.314	5.004	10	40	JKCB	
Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)o2)c1C	59176241	RAFMUKZVASEWTB-BYYHNAKLSA-N	473.558	6.412	10	40	JKCB	
CCOC(=O)c1c(/N=N/c2ccccc2)c(-c2ccccc2)n2c1-c1cc(OC)c(OC)cc1CC2	100228129	XHCRITZJIAXACK-NVQSTNCTSA-N	481.552	6.988	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C(=O)NC1=S	208326755	WTQXUBWEZCIVJQ-LUJYGJGBSA-N	475.658	5.501	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2C(C)=CC1(C)C	208516975	FBKVGQPNWCOTHI-KGENOOAVSA-N	459.615	5.157	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1cccc(Br)c1	222615617	AVMYULCMUUABPP-UZQPLGKSSA-N	467.436	5.841	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(C(=O)O)c1	223387073	TZOMUWYYHMPWFE-CLJLJLNGSA-N	482.609	5.360	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223504162	LNAFAUFUGOZFRB-XCZPVHLTSA-N	481.669	5.928	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223893856	XIVFYWLXEOOFAB-WUFINQPMSA-N	481.669	6.041	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1	224365834	ITJMSSTWQXFILE-NSOVKSMOSA-N	466.654	6.790	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)cc1	224602309	SJMHOJSSVSESNV-SVBPBHIXSA-N	468.626	5.934	10	40	JKCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Br)c2ccccc12	408535482	SVOBEYZUKBLXBH-PDGQHHTCSA-N	454.755	6.283	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408807601	DKQGNTZKVHKXCW-DEDYPNTBSA-N	467.308	5.239	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409058854	LTLWHYKSFZSOIO-XYGWBWBKSA-N	484.596	5.905	10	40	JKCB	
COc1cc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc(Br)c1OC	409153822	NIGVNCDPNRLMJN-TYILLQQXSA-N	454.286	6.312	10	40	JKCB	
Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1cccc(I)c1	409162550	XASDVFUFSBCXJL-FQEVSTJZSA-N	459.356	5.396	10	40	JKCB	
O=C1/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC(=S)N1c1cccc(F)c1	409210240	ITUXAMPWWBHWKV-VCHYOVAHSA-N	453.476	5.327	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1	409244351	BJNDAXIPYGMDDT-YZSQISJMSA-N	456.590	5.342	10	40	JKCB	
Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4C)C3=O)cc2)c1	409328846	BKDIZPFWCHYNQI-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(I)c1O	409335408	ZRAWKMGAULEUHW-YBEGLDIGSA-N	497.379	5.110	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)c1	409342109	BOZSMPOUXQTEBZ-XDHOZWIPSA-N	477.554	7.093	10	40	JKCB	
Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1cccc2ccccc12	409401795	ZZXOWUFHPZMSDK-IMRQLAEWSA-N	457.533	5.613	10	40	JKCB	
CC(C)Oc1ccccc1/C=C1\SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O	2406931	SRPDAVVVJGEDKJ-STZFKDTASA-N	475.536	5.285	10	40	JKCB	
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	6144595	KVINNEUXOBBPAZ-QJMRKGMQSA-N	494.374	6.826	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)ccc1OCc1ccccc1Cl	8821394	WJYUEVLTURECFC-OYKKKHCWSA-N	496.053	6.950	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(O)=NC2=S)c1	9009338	WXOZKPZVVQWGIE-HZHRSRAPSA-N	494.576	5.260	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4ccc(C)cc4C)c4ccccc34)C(=O)N=C2S1	33651488	HJFJQOHIEMKESN-UAJGQANVSA-N	499.640	6.065	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(OC)c(Cl)c4)o3)SC2=S)cc1	41108546	IYISOOGFTVQTCX-NDENLUEZSA-N	457.960	6.023	10	40	JKCB	
O=c1oc2c(CN3CCN(c4ccc(F)cc4)CC3)c(O)ccc2cc1-c1nc2ccccc2s1	41585650	QEAIYQXKINVXHE-UHFFFAOYSA-N	487.556	5.237	10	40	JKCB	biogenic
O=C1/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113837228	YLOSAFHPZMFBEL-MKMNVTDBSA-N	456.288	5.216	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(Cl)cc1Cl	222833561	NYLKNTQWSJGPDV-FCHUYYIVSA-N	459.446	6.177	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2[C@@H](C)CC1(C)C	223539724	YTOAYTMSRZXSHA-GLFIFPSUSA-N	465.575	5.943	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)c2C)c1	223855632	QWXBHODVYMNNAW-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)Nc4cc(C)cc(C)c4)c3)SC2=S)cc1	408576167	SFPAUGWBVUKSJO-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(Cl)c1Cl	408629998	LWRBBTIDENGOAJ-UHFFFAOYSA-N	470.761	5.687	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)N=C2c2ccc(Cl)cc2)cc1	408846645	XZYQUAGTMFOHPB-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cc(C)cc(C)c4)cc3)C2=O)cc1	408882644	PUQMGDZDJVUNCR-PCLIKHOPSA-N	454.526	5.111	10	40	JKCB	
Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c3ccccc32)c1	408987718	BSFWXRIHYQOXHY-BUVRLJJBSA-N	479.605	5.446	10	40	JKCB	
CCOc1cc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)ccc1OCc1ccc(C)cc1	409162321	TYLNFTNLVCJRHB-XMMPIXPASA-N	478.639	5.339	10	40	JKCB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1	409203019	VPPHHAPRURIIDU-JCMHNJIXSA-N	488.590	5.196	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	409210140	DZHRAUQFPZMLDO-WOJGMQOQSA-N	465.800	6.190	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1O	2373040	HTKHWFATSLDKNY-LPYMAVHISA-N	469.928	5.522	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	2390333	ZWDRYAJUUFSYOI-FNARYYANSA-N	488.016	6.032	10	40	JKCB	
COc1ccc(/C=C2/SC(=O)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=S)cc1	6143098	DUVRBANMOFOWHZ-HMMYKYKNSA-N	484.599	5.430	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(F)c3)C2=O)cc1OC	8819932	FTZJIIULTIVIKK-STZFKDTASA-N	488.606	5.243	10	40	JKCB	
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	14009616	ZYPCMOOZDVMQSA-IMRQLAEWSA-N	472.629	6.274	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	19996415	JZPIVOWZHAUPCO-IHRLJDSVSA-N	466.349	6.558	10	40	JKCB	
Cc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1	26608058	CPJVIBLOJZOUQL-FMSSAWJPSA-N	495.604	6.147	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccn3-c3ccccc3C(F)(F)F)C2=O)cc1	32115622	STHBBMVPPSMFDI-LGMDPLHJSA-N	455.392	5.011	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	34705826	QTRQPHXBGMUZFL-WKDARJRMSA-N	481.625	6.193	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc(I)cc3)o2)SC(=S)N1C1CCCCC1	113830478	SIPQFCTYVWLWSP-LDADJPATSA-N	495.407	6.085	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4Cl)C3=O)cc21	208191094	UXPHBAVMGCWYTN-VZWMTCDZSA-N	472.372	5.382	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1Br	222920610	YBUHEEBAYPFFSS-XZOQPEGZSA-N	483.479	5.880	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	223012627	UBVQVPSZDXOGBA-VXKWHMMOSA-N	475.445	5.415	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c1	223313272	LRRBDBYXWLCSFZ-DFCKQENNSA-N	460.647	5.257	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2ccccc2)cc1	223443836	DXVQPMZVLFHSCG-IZZNHLLZSA-N	454.599	5.362	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223893828	XIVFYWLXEOOFAB-IZLXSDGUSA-N	481.669	6.041	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	225018004	DPMXDPURBIZYDH-DNQXCXABSA-N	485.484	6.711	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408759590	HPBOHXFJCDAVCZ-PXLXIMEGSA-N	465.322	5.821	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccc(F)cc2)N1c1ccc(Br)cc1	408759724	KIYXNGRSCBHBPW-DEDYPNTBSA-N	455.714	6.076	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1OC	408762905	NABZZRCBCJZYMA-DEDYPNTBSA-N	453.325	5.845	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(C)=C3C(=O)OC)c2C)cc1	408774896	NUHDBCJPJLIKLY-XYGWBWBKSA-N	474.532	5.509	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)c(Br)cc1OCc1ccccc1Cl	408849923	BAYFTICKYVQMKK-CAOOACKPSA-N	484.824	5.569	10	40	JKCB	
O=C1C(=Cc2ccc(Cc3ccccc3F)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	408871867	YMTNPSIZKHZECD-UHFFFAOYSA-N	492.575	6.165	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1C	408983884	NYAXIQRTAKZNFK-GRSHGNNSSA-N	498.366	5.384	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)SC1=S	409128832	KZMYJWONXSHYEI-OCKHKDLRSA-N	491.863	6.327	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	409169454	QXIMCKJXBNRSKG-FYJGNVAPSA-N	465.962	5.423	10	40	JKCB	
CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1	409183900	WFBAPJNWWKCRJF-OEAKJJBVSA-N	494.016	5.985	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)NC2=S)c1	409246251	HAROAVBJEKIXPL-BUVRLJJBSA-N	471.626	5.666	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccc1F	409249042	IFBZZWZNPYAMEO-WOJGMQOQSA-N	487.478	5.083	10	40	JKCB	
Cc1ccc(OCCn2cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)c3ccccc32)c(C)c1	1265586	UQCLBGHHTZOITC-JLPGSUDCSA-N	497.526	5.983	10	40	JKCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1OCC	2303592	VABZPYNIRMYRCE-KQWNVCNZSA-N	463.574	5.758	10	40	JKCB	
Cc1ccccc1N(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1nc2ccccc2s1	3340541	UBLSDSLEYLHMLD-UHFFFAOYSA-N	476.557	6.649	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c(C)c1	8952334	ZIQHDIHTEXYINO-RDJYZGLESA-N	462.575	5.036	10	40	JKCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCc5ccccc5)cc4)S3)CC2)cc1	9188192	JHKPSLDCIMTJDD-XHPQRKPJSA-N	485.609	5.067	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(F)c(Br)c3)SC2=S)cc1Cl	9232320	ISDKQFQVPWMOOU-VIZOYTHASA-N	458.761	5.656	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c1C	13787483	VEMDCFNSFXPKEG-XNUZKYAUSA-N	469.570	5.160	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=N)N12	13941972	NYVGYFFRWTUWOK-WHJFZTRWSA-N	472.339	5.334	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208225115	DXXBRXZWUJSTST-BDQMVGTNSA-N	465.575	5.862	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4C)C3=O)cc21	208470207	CPCRLWYGWFHKIH-YBFXNURJSA-N	463.965	5.255	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(Nc4ccc(Cl)cc4)=NC3=O)cc2C(C)=CC1(C)C	208526101	UAAIJDVHZIBTEI-XKZIYDEJSA-N	452.023	6.753	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1C	223390114	ZIMYOWCIAAYPDX-KAYWLYCHSA-N	487.072	6.624	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc21	223514287	ZXUYAUWIJSMSGW-HYARGMPZSA-N	457.574	5.380	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)cc21	223515159	LGFJRFYOECFXCN-ZVHZXABRSA-N	487.669	5.853	10	40	JKCB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)C1=O	223607349	FTECESZVVGYTIX-UQKXMBGOSA-N	458.624	5.484	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1	223761299	OOIDFAUBLMUWKV-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(Cl)cc3)c2C)ccc1F	224899588	SHPGNDDVEQMOHY-UIOOFZCWSA-N	491.035	6.767	10	40	JKCB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Br)c(Cl)c3)cc2)C1	225691093	CJZHHLYMYINOAP-CQSZACIVSA-N	452.849	5.825	10	40	JKCB	
Cc1ccccc1NC(=O)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccccc1	225696356	GESTUXHTPWPNGC-WUFINQPMSA-N	495.652	5.490	10	40	JKCB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)C1=O	260564892	FTECESZVVGYTIX-XXXRSFMGSA-N	458.624	5.484	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)cc21	260909898	AUISFZAQLRHIFN-CLJLJLNGSA-N	489.088	6.852	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(Cc2cc(C)cc(C)c2)c1	408871263	XKZAKHHZAHTPNU-ZVHZXABRSA-N	474.944	5.223	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccccc1F	408899251	OOOAMOLPEFJVFG-QGOAFFKASA-N	494.906	5.123	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1	408988901	SBMLBXZKZJETBG-XYGWBWBKSA-N	455.558	5.446	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1Cl	409069803	AJJVPROHGKPURX-KEBDBYFISA-N	458.320	5.633	10	40	JKCB	
Cc1c(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1	409073325	GXVOQWQXNIOQAQ-ZVHZXABRSA-N	473.935	5.883	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409204880	LLYWGUSFAUPKCZ-LPYMAVHISA-N	495.582	5.138	10	40	JKCB	
O=C(NN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S)c1cccs1	409355074	BKYZVFZHOHYUSU-BKUYFWCQSA-N	475.620	5.297	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(OC)c4)C(C)=C3C(=O)OC)c2C)cc1	681170	QJYHDRGBRDCUIC-QQXSKIMKSA-N	486.568	5.379	10	40	JKCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	1805128	UFSDZZRMTWSKRC-BOPFTXTBSA-N	480.951	5.354	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(Cl)cc3)C2=O)cc1	8739492	XLLCCCIABDHLJY-ZDSQJECRSA-N	491.975	6.241	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	8818966	NRFRZXDBYPEBTQ-KNGSKEOJSA-N	453.994	5.008	10	40	JKCB	
CCOc1ccc(NC(=O)CCCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	8820486	CJPQVYBGKFAORG-SQBXPZIGSA-N	452.601	5.262	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@@H](CC(C)C)C(=O)O)C3=O)cc2)cc1	8821352	LHBVFOZEBPJWLV-GAASDFDMSA-N	455.601	5.275	10	40	JKCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCCCCCCCCC(=O)O)C2=O)cc1	8870082	CZTVOUYVXOCYGQ-DYTRJAOYSA-N	490.691	5.298	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)c1C	9264713	OSMCVHAXQFEUDY-UCQKPKSFSA-N	483.568	5.277	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	9293698	KSXMIIYFEUJUQQ-FJVWWGQZSA-N	467.598	5.632	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1	9358758	GAECNLAKEDYSNO-BOPFTXTBSA-N	457.269	5.769	10	40	JKCB	
CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2OC)C1=O	13915347	ROWMWDXWYAVJOM-GZTJUZNOSA-N	450.379	5.262	10	40	JKCB	
CCOCCCN1C(=O)/C(=C/c2oc3ccc(Br)cc3c2Cl)SC1=S	16750553	QMBJUDJNPJKMQW-ZROIWOOFSA-N	460.802	5.477	10	40	JKCB	
Clc1ccc(-c2c(Nc3ccccc3)sc(/N=N/c3cc(Cl)nc(Cl)c3)c2Cl)cc1	28294491	GGSVTBOJMDNIES-ZQHSETAFSA-N	494.234	9.583	10	40	JKCB	
COC(=O)c1ccccc1-c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)o1	33153893	DRUCJTHHYAEVJF-VZKFJVGXSA-N	455.495	5.037	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(OC)ccc4OC)c3C)C(=O)N=C2S1	33784229	UDTLEAPXIDYVNP-YJFMCDHMSA-N	479.606	5.311	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)ccc1OCc1ccccc1	59860912	KXEBNULGGFCABK-KGENOOAVSA-N	456.498	5.398	10	40	JKCB	
COc1cc(-c2ccc(/N=N/c3ccc(N)nc3N)c(OC)c2)ccc1/N=N\c1ccc(N)nc1N	104231580	CHFBVODDBJMLEE-IUQQBYGBSA-N	484.524	5.320	10	40	JKCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(Nc3cccc(Cl)c3)=NC2=O)cc1OC	137300474	CKXAMKMOFUUSLM-XACIZNRCSA-N	451.375	6.262	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)cc2[C@@H](C)CC1(C)C	223540472	DFIDBOKRKCLMRT-QCYAWUEASA-N	491.657	6.091	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(Cl)cc2)c1C	223723195	ISBZWGVEFAYPIW-ZEQRLZLVSA-N	483.037	5.068	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	224335428	QQTFAFIOINPBAY-KAYWLYCHSA-N	470.617	6.368	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1C	224403343	VQBCWYXBMSYAGV-VPUSJEBWSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(N(C)CCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1	225798908	TVPLBEYEKKUMPW-UHFFFAOYSA-N	475.658	5.647	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1	408878817	BNMDJUJUNWDPED-UNOMPAQXSA-N	467.377	5.416	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3Cc3ccccc3F)C2=O)cc1	408882226	NBGLNCAYPXGTIQ-PXLXIMEGSA-N	462.908	5.299	10	40	JKCB	
O=C1/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(C(F)(F)F)=NN1c1ccccc1	408971667	LEZCZMPHAACKGA-MOSHPQCFSA-N	474.841	6.407	10	40	JKCB	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2cccc(C(F)(F)F)c2)C1=O	1452142	VNUAGAHCFWAGSK-WAZQMIMHSA-N	476.545	5.882	10	40	JKCB	
COc1ccc(NC(=O)c2c(NCc3ccc(N(C)C)cc3)sc3c2CCCCC3)c(OC)c1	2182446	WDVWIONKSHZZEJ-UHFFFAOYSA-N	479.646	5.965	10	40	JKCB	
Cc1ccc(N2C(=O)N(CC(=O)c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)C(=O)[C@H]2C)cc1	3325138	SEGDTEDKRHWSQH-GOSISDBHSA-N	481.499	5.044	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3O)c2C)cc1	5946219	XMFIEJPNIHDSFR-JJIBRWJFSA-N	491.588	5.686	10	40	JKCB	
Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O	8450573	RKAWHYGSCVCQHW-LPYMAVHISA-N	475.570	5.092	10	40	JKCB	
Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3cc(C)n(-c4ccccn4)c3C)cs2)c(C)c1	8708410	NSSDGDSWESSWAH-UHFFFAOYSA-N	473.646	5.608	10	40	JKCB	
CCOc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	8819066	BPCHLMBRORSYSG-AQTBWJFISA-N	491.432	5.078	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1	9233052	WFDDGPXLCFDRDT-JFDFMHGASA-N	457.534	5.209	10	40	JKCB	
COc1cccc([C@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1	9308285	VCOGBTMTISMTDJ-ZNZIZOMTSA-N	483.951	5.371	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)C(=O)NC2=S)cc1	9311140	GWIZLNNQDVQQCB-ONUIUJJFSA-N	494.572	5.259	10	40	JKCB	
O=C1/C(=C\c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	9323964	CJDRCHHKCAAQLJ-PKAZHMFMSA-N	492.062	8.279	10	40	JKCB	
O=C1/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC(=S)N1c1cccc(Cl)c1	15011438	NPJZTPJBRDPDFY-CIAFOILYSA-N	472.418	6.978	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(C)cc4Br)o3)C2=O)cc1	27520671	HBLYZXUTGWWKTD-PDGQHHTCSA-N	465.303	5.833	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4F)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	33748688	FDASYKCMZLVESH-CUHFCGNASA-N	495.942	5.693	10	40	JKCB	
C/C(Nc1ccc(Cl)cc1Cl)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	103920911	QHOAGBKIMWGHHB-STZFKDTASA-N	467.312	6.039	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	106696298	VTUBXYSPCGPFPJ-FBHDLOMBSA-N	475.372	6.777	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1Br	222830000	HZEHOPSVVGFKKG-FGZHOGPDSA-N	469.452	5.633	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2Br)c1C	222874857	DRISUXZMIZSJPJ-VXKWHMMOSA-N	469.452	5.634	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223585108	JLLZSIRRAFUMKU-ICODJCHTSA-N	469.050	6.997	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)cc21	224291430	XQAMAVMJMWXQPS-SVBPBHIXSA-N	468.670	6.507	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1cccc(F)c1	225043771	CMSGJHVNHSVGTB-VSGBNLITSA-N	499.659	6.103	10	40	JKCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(F)cc2)N1c1cccc(Br)c1	408755161	MQUHJLWONCWLRM-UDWIEESQSA-N	466.266	5.331	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4C)C3=O)cc2Cl)cc1	408796358	ADEUROYWSIDIMZ-FYJGNVAPSA-N	474.944	5.511	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1C	408806698	BHINZRCHPWHPJE-KGENOOAVSA-N	474.944	5.511	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1F	408878344	ASIXLALYLKDZGL-XDHOZWIPSA-N	494.906	5.123	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	409060635	RPAFHHHHRVGCDR-QRVIBDJDSA-N	478.951	6.072	10	40	JKCB	
COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O	409106397	RRZBHVBEFSYYGZ-JYBCESJWSA-N	460.555	5.359	10	40	JKCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCc1ccc(C)cc1	409130853	WRPRQFQUUGSKOL-JLPGSUDCSA-N	472.566	5.373	10	40	JKCB	
O=C(Cn1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)NC1CCCC1	409148869	SXYHHZYCFJWMDW-JLPGSUDCSA-N	489.666	5.144	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409192924	GDOBEULOWJTGFR-LFVJCYFKSA-N	465.018	7.331	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)SC2=S)cc1Cl	409202744	UMGRXXOXCMIDGK-GRSHGNNSSA-N	499.957	5.850	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S	409204289	DRUMPAFDETYJLO-FYJGNVAPSA-N	465.556	5.130	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)NC2=S)c1	409239273	CVJPRSVEOIPADL-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(Cl)cc1Cl	1180775	PSKRRQAWXUDXKB-SXGWCWSVSA-N	471.818	5.877	10	40	JKCB	
COC(=O)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	8674147	WZTTWNGEAPTPCC-PPJWLVRDSA-N	474.582	5.409	10	40	JKCB	
CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1	8819776	OMEMFLUJCBPTCM-XLNRJJMWSA-N	496.654	5.572	10	40	JKCB	
COc1cc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)ccc1OCc1ccccc1Cl	8820843	IMDYGEANMOFPNW-XKZIYDEJSA-N	466.946	5.716	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	8821436	JLLGBVZQXDSQIT-HYARGMPZSA-N	488.461	8.002	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1cccc(C)c1	9635689	DMHBQBQJERLKPK-KXYLLZDBSA-N	492.601	5.127	10	40	JKCB	
CCOC(=O)C1=CS/C(=C2/C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccc(OCC)cc32)S1	13615708	SETJZVGYOVVJDH-ATJXCDBQSA-N	491.700	6.180	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)N=C3O)o2)cc1	13688711	HIHOAORTRMOKRF-AQTBWJFISA-N	494.887	5.292	10	40	JKCB	
O=C(COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2)c1ccc([N+](=O)[O-])cc1	15188087	UIUUKNPPJKXXOP-VRUMLPLGSA-N	499.479	5.369	10	40	JKCB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1	26965479	KCMSUTDSGXQWLN-ODLJZMMESA-N	461.612	5.228	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12	31973707	FSYKVAQGPCQPPE-JLFKZYKSSA-N	491.916	5.370	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3/SC(Nc4ccc(C)cc4)=NC3=O)cc2Cl)cc1	35330505	MSALMFRJUDNNNV-LPYMAVHISA-N	483.420	7.272	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCc1ccc(Cl)cc1	59418063	CNRIRAGEIAJINL-HYARGMPZSA-N	467.999	6.333	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc2ccccc12	223493289	GZQFBGNSAPEMNT-WDYNHAJCSA-N	489.648	6.210	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc2ccccc12	225013371	DBKKZSCYWXEKTF-NSOVKSMOSA-N	466.654	6.557	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)ccc1OCc1cccc(C)c1	408740266	AUDNJDLTJVXSIL-HYARGMPZSA-N	491.381	6.717	10	40	JKCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)S2)cc1	408772011	KRVCLVVYWMZKIP-KLKBWYFJSA-N	475.614	5.351	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1	408784762	UTHUBHFIDOJFSJ-RGVLZGJSSA-N	498.764	5.176	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)N(c3ccc(Cl)cc3)C2=O)cc1	408841059	FJEQJODOJWYHRY-PXLXIMEGSA-N	480.793	6.003	10	40	JKCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1cccc2ccccc12	408873075	MOZCVEHLGSKFHW-JWGURIENSA-N	466.468	5.224	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1	408903523	ZCHMLTICNKWARV-HZHRSRAPSA-N	496.053	7.032	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12	408937201	IKRPGSWUVUYUCS-KOEQRZSOSA-N	480.951	6.514	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1	408937832	PFIBPOIEWPVSSL-HAHDFKILSA-N	460.917	5.148	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)cc1	409096679	LTGQGGDPHXFSLA-HYARGMPZSA-N	461.564	5.678	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1c1ccc(F)c(Cl)c1	409180004	SWBVGSLXZIMVKX-SRZZPIQSSA-N	490.408	7.117	10	40	JKCB	
CC(C)Oc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1Br	409331836	OKQVWKLCEZYJOM-UNOMPAQXSA-N	477.449	5.708	10	40	JKCB	
S=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1	409332127	GUTAEHHVASMJDH-OAQYLSRUSA-N	485.612	7.243	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(I)cc3)SC2=S)c1	409350312	XTUPMZXHUKSTHV-DHDCSXOGSA-N	469.394	5.419	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C3(c4cc(C)n(-c5ccc(C)cc5C)c4C)CCCCC3)c2C)c(C)c1	3219018	UNDBVTPSNQULCQ-UHFFFAOYSA-N	478.724	8.986	10	40	JKCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C	8443307	JMGDGYWJORGQQQ-LPYMAVHISA-N	492.421	5.895	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1	8741494	YMPOYQOXMZSAAY-PTFSYIGCSA-N	495.554	6.849	10	40	JKCB	
O=C1/C(=C/c2ccc3c(c2)CCCN3Cc2ccccc2)C(O)=NC(=S)N1c1ccc(Cl)cc1	9012027	BWZKVERBVPCEAO-XQNSMLJCSA-N	488.012	5.964	10	40	JKCB	
CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N21	9111502	DHXZRFZTLGESMD-NXCFDTQHSA-N	467.952	5.671	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCCOc4ccccc4)c3)SC2=S)cc1	9232415	AKLUMTWQXYCCOD-HKOYGPOVSA-N	476.623	5.616	10	40	JKCB	
Cc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)cc2)c(C)c1	12285321	ZIQHDIHTEXYINO-NKFJNAIASA-N	462.575	5.036	10	40	JKCB	
COc1ccc(NC(=O)c2ccc3c(c2Sc2ccccc2)C(=O)c2ccccc2C3=O)cc1	12420976	RFQAYLRBSSDWBN-UHFFFAOYSA-N	465.530	5.874	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	33480914	MJDZIMMNWHUMOJ-JJYAYZJSSA-N	467.598	5.687	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1	34720963	JCTXFCWVXXXSEQ-BKUYFWCQSA-N	464.930	5.700	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	35395933	SJCWCGHRQAFWTB-JERZPRFUSA-N	464.551	5.120	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[C@H]3C=CC[C@H]32)c1OC	58847276	SDDUUFGOCLDFPE-ATLLOTDBSA-N	497.016	5.985	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113833975	MVZMYCFGAAYPNL-HYARGMPZSA-N	478.551	5.588	10	40	JKCB	
Cc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S	113839847	LXFCLSYKCMAZCI-YBFXNURJSA-N	456.932	6.222	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C1=O)[C@@H](C)CC(C)(C)N2C	208225197	GEFIKCOWQMXRPE-BDQMVGTNSA-N	465.575	5.862	10	40	JKCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	222785715	NHDLHVQHWXANDP-NHCUHLMSSA-N	455.425	5.244	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccc(Cl)c1	223384645	GRYQGQKRQQZULQ-IZZNHLLZSA-N	473.045	6.315	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1cccc(Cl)c1	223496699	LAUSHCREUWONFL-JWQCQUIFSA-N	474.033	5.710	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	224326444	WGPAMQNTTLXPKO-SXOMAYOGSA-N	468.670	6.453	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1-c1ccccc1	225042517	YIJOGGYPXLUWRG-NSOVKSMOSA-N	481.669	5.964	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)cc1	225358613	INJDACGJZGEBMR-VSGBNLITSA-N	498.652	6.154	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccc1Br	260784222	VJTKDLHFURSKNM-KBJGYGKASA-N	467.436	5.841	10	40	JKCB	
O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1	408641442	LNIZHYISPXVEQK-GOSISDBHSA-N	491.374	6.931	10	40	JKCB	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	408735329	NCDPKFUSDQRFNR-UHFFFAOYSA-N	459.465	6.642	10	40	JKCB	
Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccc(Cl)c(Cl)c5)c4C)c(=O)n3c2cc1C	408742282	VUJLFFYEALGVHO-LSHDLFTRSA-N	468.409	5.788	10	40	JKCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)o1	409071731	SBMDWCPYMRGTGC-XNTDXEJSSA-N	486.267	5.136	10	40	JKCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br	409132901	KVSLKVLWNCADFW-MPMPPSQCSA-N	487.419	5.075	10	40	JKCB	
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	847543	PMHQZTDRWWMSJV-HYARGMPZSA-N	490.300	5.059	10	40	JKCB	
CCN1C(=O)/C(=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)SC1=S	2202219	PBYPJGCCOAPVPO-JXAWBTAJSA-N	465.600	5.005	10	40	JKCB	
COc1cccc(OCCCOc2c(Cl)cc(/C=C3\SC(=S)N(C)C3=O)cc2OC)c1	2878506	TYGMFPCQASOAGE-UNOMPAQXSA-N	480.007	5.036	10	40	JKCB	
CCOc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	8763319	STQLGLNBQVDUCG-CYVLTUHYSA-N	460.646	5.547	10	40	JKCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCCC[C@H]2C)c1O	11869519	IUJXAJIMXMCGJP-GOSISDBHSA-N	473.617	6.113	10	40	JKCB	biogenic
COc1cc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC	13640631	PUNKWEIJWICXIK-LZCXECNNSA-N	492.597	5.340	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1Cl	16292317	QTQXQPQGCNMXMO-OYKKKHCWSA-N	496.053	6.637	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	16383945	TTZTZUBNJRNQTL-YVLHZVERSA-N	477.350	6.567	10	40	JKCB	
Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1Cc1ccc(Br)cc1	33492482	XIOGGNXTIQJXOP-HAHDFKILSA-N	486.369	5.222	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2C(C)=CC1(C)C	208521032	JDPLLSZJGMPPEH-CIAFOILYSA-N	463.965	5.337	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC(=S)N1c1cccc(F)c1	208730460	AXZLLADIKLVOCI-ZDLGFXPLSA-N	450.343	6.798	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1cccc(Br)c1	222830268	IREAFWKPZPEAMD-FGZHOGPDSA-N	469.452	5.633	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)cc1	223096026	ROAKGMHJFHFVGF-SVBPBHIXSA-N	458.675	6.357	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc(C(=O)O)cc1	223860582	CXHAVGGUSHDAPQ-LOSJGSFVSA-N	484.581	5.070	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224171956	LHHIFUSYASJWHO-CLJLJLNGSA-N	482.609	5.673	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1C	224270474	VTBKELFVBABMJH-URLMMPGGSA-N	495.696	6.349	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)c2C)cc1	224431547	PNJOKMUKKLVAFN-FTJBHMTQSA-N	456.590	6.114	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1F	224463868	MQYJQXWAPGFBOY-JWQCQUIFSA-N	477.008	6.459	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)c(C)c3)cc21	260916570	JNMKFBRLMXGSPQ-RRPNLBNLSA-N	468.670	6.507	10	40	JKCB	
S=C(Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)Nc1cccc2ccccc12	408735855	XLQXAWLGDCHJOQ-UHFFFAOYSA-N	480.596	8.052	10	40	JKCB	
CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2c1	408784871	VZRVITKOPGMERJ-PXLXIMEGSA-N	474.582	5.085	10	40	JKCB	
CN(C)c1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1	408838922	KGRGYTWZNHKZTB-OQLLNIDSSA-N	461.768	5.728	10	40	JKCB	
O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2	408866899	JYEZEXSTJNHWPV-NMMYMHLASA-N	466.364	7.097	10	40	JKCB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1	408897588	YQYNMJBAQHKRKG-ZVHZXABRSA-N	488.971	5.819	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1	408937118	ICHWQXKRUCRRCC-DEDYPNTBSA-N	493.332	5.609	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1	408971848	QYYNBZXMJOGOEF-AQTBWJFISA-N	491.296	6.921	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409015312	ZLZANPOEKGXPJP-ONUIUJJFSA-N	468.597	6.287	10	40	JKCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1ccc(Cl)c(Cl)c1	409089504	IUESIVBIXTZIII-MTJSOVHGSA-N	462.446	6.133	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)SC2=S)cc1	409212045	LNYFYKPAIYOHQP-PXNMLYILSA-N	454.360	5.373	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1	409345177	KCYXGJRYBOPRSE-WOJGMQOQSA-N	486.981	5.533	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)SC2=S)c1	409348563	OSRPYEQPHNNYNZ-LPYMAVHISA-N	467.612	6.532	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C(O)=NC2=S)c1	1890771	UHDVQVVBHGAVLZ-PXLXIMEGSA-N	488.012	5.883	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12	1913290	PWJKSSSUMXQEQM-UHFFFAOYSA-N	453.460	6.207	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1cccc(Cl)c1	8398619	FBJJIJIWXYJGQO-VCHYOVAHSA-N	477.350	6.567	10	40	JKCB	
COc1c(Cl)cc(/C=C2\C(=N)N3N=C(COc4cccc(C)c4)SC3=NC2=O)cc1Cl	8411404	WTDBBBUUHQIOLN-XCHRNCODSA-N	475.357	5.009	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3c(C)n(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2S1	8453480	ZTKQQPZCRWRSML-XEQYNKKRSA-N	499.640	6.147	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)S2)cc1	8821690	AZEFMZLNQSEQOW-UCQKPKSFSA-N	477.973	5.960	10	40	JKCB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOC)C2=O)cc1	9462316	FSWPCFBXVOODBB-JWGURIENSA-N	495.695	5.889	10	40	JKCB	
COc1ccc(N2CCN3c4ccccc4C[C@]4(C(=O)N(c5ccc(Cl)cc5)N=C4C)[C@@H]3C2)cc1	25184732	YBTIOWHKOXIQEX-XTEPFMGCSA-N	487.003	5.009	10	40	JKCB	
CCN1C(=O)/C(=C/c2ccc(OCCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S	33430049	NDGYIVLVOCTCSB-QJOMJCCJSA-N	485.671	6.062	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(Cc5ccc(Cl)cc5)SC4=NC3=O)c2C)cc1	33934957	GLGGIETUSVUFCP-JJYAYZJSSA-N	488.016	5.918	10	40	JKCB	
CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)SC2=S)c1	35039899	RMMGERZBLBLKNB-NDENLUEZSA-N	450.497	5.463	10	40	JKCB	
CCCCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@H](C)C2	44827091	OAMCJYOKHFDLJI-WLVMFVESSA-N	451.592	5.548	10	40	JKCB	
CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc(C)ccc1C)N2	58849049	SERVUZKOIFVVHX-TYPXCFOJSA-N	474.626	6.329	10	40	JKCB	
COc1ccc(C2=C/C(=C\c3ccc(OCc4ccccc4)c(Br)c3)C(=O)O2)cc1	83260570	FFSLMKLNPVVHNY-DEDYPNTBSA-N	463.327	6.018	10	40	JKCB	
CCN1/C(=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccc(Cl)cc21	100073580	UBLXZMMNJCSOIG-LNVKXUELSA-N	464.015	6.909	10	40	JKCB	
CC1=CSC2=NC(=O)/C(=C\c3ccc(OCCOc4cc(C)cc(C)c4)c(Cl)c3)C(=N)N12	103563448	AXUYQBQVMXUAGZ-RNDHPAASSA-N	467.978	5.582	10	40	JKCB	
Cc1coc(NS(=O)(=O)c2ccc(/N=N\c3cc(/N=N/c4ccccc4)c(N)nc3N)cc2)c1C	104090880	MFDBDDZCBDTELS-SWGBCSPSSA-N	490.549	6.087	10	40	JKCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1Br	106717983	UIQNFGGXHATADJ-MFOYZWKCSA-N	486.218	6.058	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(Br)cc1F	144230225	NHIPIYWVPJOJFJ-JAIQZWGSSA-N	471.351	6.237	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc2ccccc12	208731411	CLHHTWUAJQKAPC-XKZIYDEJSA-N	492.965	7.067	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223495159	KJKFBKMDBSCATL-KAYWLYCHSA-N	467.642	5.619	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223504107	LNAFAUFUGOZFRB-XTEPFMGCSA-N	481.669	5.928	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2[C@@H](C)CC1(C)C	223566982	IRAIOCBIPAGWLD-ICODJCHTSA-N	495.620	6.001	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224273656	XHWKWJMHSMORGT-MFMCTBQISA-N	494.708	7.154	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)c1	224303008	FULLJVFVDJCJJX-NSOVKSMOSA-N	482.653	6.292	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(C(C)C)cc3)c2C)cc1	224366268	IVJVIVNJNUHGNB-FQLXRVMXSA-N	480.681	7.098	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Cl)c1C	224566994	ICSBGENMCMEAKS-CLJLJLNGSA-N	489.044	6.328	10	40	JKCB	
COc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	408576115	RREYEACTODWIDL-HAHDFKILSA-N	490.606	5.427	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(C)c1	408800077	KEPCCXCITNYMMY-CIAFOILYSA-N	490.943	5.211	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1C	408847644	QUTKMXFICGGLAF-LDADJPATSA-N	498.435	5.849	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc(Cl)c1Cc1cccc(F)c1	408867126	JMMCKPGYMKUACT-CIAFOILYSA-N	492.934	5.362	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1	408874270	ZRBICDZSUBCMDA-UCQKPKSFSA-N	466.006	6.050	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N(c2ccccc2)C1=S	409016910	BGPVWLJDJKQGPR-JJIBRWJFSA-N	497.595	5.782	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409084087	WLMVHZNMWFHFFC-OSSOMXAKSA-N	467.443	5.781	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC	409332096	PZOUDZMWZKWYNQ-BOPFTXTBSA-N	454.400	6.197	10	40	JKCB	
CCCOc1c(I)cc(/C=C2/SC(=S)N(CCC)C2=O)cc1OCC	409348143	RRLZJJCWNFWGFZ-RVDMUPIBSA-N	491.416	5.090	10	40	JKCB	
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCOC)C2=O)cc1	2247049	ILHIVWQJXWVTRH-JWGURIENSA-N	495.695	5.889	10	40	JKCB	
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CNc1ccc(-c2ccccc2)cc1	3162192	GVTYVLGZNKGOPO-STZFKDTASA-N	481.440	6.387	10	40	JKCB	
CN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)S2(=O)=O)cc1	3169050	WUKBYBKESHGEBE-NLZIUFDSSA-N	487.408	5.561	10	40	JKCB	
CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc5c(c4)C(=O)c4ccccc4C5=O)cc23)C1	6142777	CXPOKXDJQMLQNL-UHFFFAOYSA-N	499.544	5.164	10	40	JKCB	
CCCCCCOc1c(C=O)sc(/C=C/c2ccc(N(C)C)cc2)c1OCCCCCC	8448397	VEABSUNPDFMHGD-OBGWFSINSA-N	457.680	7.715	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1cccc(Cl)c1Cl	8819609	JAJHQZSBVGKKSM-YVLHZVERSA-N	495.409	5.342	10	40	JKCB	
COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)o2)cc1OC	9545294	PBQTZNUTWWENCY-UHFFFAOYSA-N	467.522	5.275	10	40	JKCB	
Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)n2C)cc1	33429073	OORRPLPMFIBQKT-BYYHNAKLSA-N	472.574	5.849	10	40	JKCB	
Cc1ccc(C)c(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)c1	33595281	ADUMAFPZQYXZDU-LFVJCYFKSA-N	497.551	5.823	10	40	JKCB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	58848121	YMAVPHUYAOTTFL-BPYKYCOYSA-N	468.981	6.415	10	40	JKCB	
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccccc4OCC)cc3[C@H]3C=CC[C@H]32)cc1	58849119	VVLRNLHKRMFYDP-SXDGJLEOSA-N	490.625	6.111	10	40	JKCB	
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(=O)O)cc4)cc3[C@H]3C=CC[C@H]32)c1	58849846	KSMXOQIPIIMECQ-SGIRGMQISA-N	460.555	5.321	10	40	JKCB	
Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc5c6c(cccc36)CC5)N4)sc2c1	58851231	YBVVTKCEGIHWBB-VGNCIJBISA-N	470.641	8.350	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2Br)cc1	59229792	RUBNDLGUFRMXMS-UDWIEESQSA-N	477.314	5.021	10	40	JKCB	
O=C1c2ccccc2C(=O)c2c(OC(=O)C3[C@H]4CCCC[C@@H]34)ccc(OC(=O)C3[C@H]4CCCC[C@H]34)c21	100499939	FUPVOQPJVDTFCY-MLNXGOGNSA-N	484.548	5.145	10	40	JKCB	
CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1	100651188	MQBBLWBTWOWGTA-RXAIFQJESA-N	475.614	5.758	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Br)c4)C3=O)cc21	208194527	MQUUYMKDLAMPCT-YRIIZNAFSA-N	498.446	5.002	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208231021	RUUZCSDFSMZUHY-RVZJCZPVSA-N	451.954	5.037	10	40	JKCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208253730	GCDQFNNVHYVMMI-LKEIMFIWSA-N	458.986	6.438	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223494213	ZIURYGVNUGAVMQ-IZZNHLLZSA-N	453.615	5.365	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1	223534112	WAOLXRVNRNOPEQ-UIOOFZCWSA-N	453.615	5.365	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)cc1	224385271	BYHZVBDEDZXVET-WUFINQPMSA-N	482.653	6.490	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cc(C)cc(C)c1	408893999	HXWAIFMWRRFIGA-WSDLNYQXSA-N	490.943	5.211	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C	409015106	AMLFFKHGFJLPBZ-MYYYXRDXSA-N	470.569	5.597	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)cn(CC(=O)N(CC)CC)c12	409128994	JQZSKDZEZOKSEN-BKUYFWCQSA-N	481.643	5.067	10	40	JKCB	
Cc1cc(CSc2ccccc2)cc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21	409156834	OLKDKJHQYANWDA-PPJWLVRDSA-N	462.456	7.876	10	40	JKCB	
CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C(=O)[C@@H]12	409184727	ZTWXBMPGHFRLNQ-WIYFVFIQSA-N	469.544	6.673	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)o2)cc1	409247550	IEJOQKKFUODJME-SFQUDFHCSA-N	452.919	5.367	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)SC2=S)cc1	409343387	GUBZGIGDSZYXOR-HZHRSRAPSA-N	481.042	6.391	10	40	JKCB	
CCOC(=O)c1c(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[C@@H](C(C)(C)C)C2	935476	AWIYWJWLKILPGQ-KUHUBIRLSA-N	486.659	5.517	10	40	JKCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	2700681	NNXCPTRKZRTVNV-LOHYDARVSA-N	490.389	6.281	10	40	JKCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cc(Cl)cc(Cl)c1	8819680	ASWBWZBPFOGZSP-ODLFYWEKSA-N	479.454	6.394	10	40	JKCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1	8915891	LXCDGUZBTXMBQF-MOHJPFBDSA-N	461.608	6.249	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1	9192004	OGORIWPMIQRFPO-YNRWKYOSSA-N	495.633	6.171	10	40	JKCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1	12622797	RRGNFDXSLPKBIF-BYYHNAKLSA-N	472.332	5.665	10	40	JKCB	
CC1(C)Cc2cccc(OCC(=O)OCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c2O1	13028195	KAFPWXBYLKSZBU-ZQHSETAFSA-N	459.502	5.376	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C=C(c2ccccc2)N1c1ccc(F)cc1	13810096	OIAGTJUHPSIZMJ-CAPFRKAQSA-N	452.441	6.465	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N=C2SC(c3ccccc3)=NN12	13941838	ZSRMPUSHOZMKJA-KBUZEUCASA-N	466.444	5.633	10	40	JKCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3c(ccc4ccccc34)N12	16033534	YQABZEKEFAZJFG-ZGIBFIJWSA-N	469.540	5.862	10	40	JKCB	
O=C(CF)N[C@H](NC(=S)Nc1ccc(/N=N/c2ccccc2)cc1)C(Cl)(Cl)Cl	17991580	QFOKMKZTJAODRL-HNSMJWMHSA-N	462.765	5.170	10	40	JKCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Nc2ccc(OC)cc2)cc1	20287168	SVVHZSIARORPIU-ITYLOYPMSA-N	470.529	5.091	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1	26580606	CJSGOQUCDXAZQH-ZHZULCJRSA-N	478.035	5.726	10	40	JKCB	
Cc1ccc(C(=O)[C@@H](NC(=O)c2cccs2)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	27019461	LOFSCLSVWZEAPM-CHJUCYJUSA-N	454.555	6.523	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CCCCCC(=O)N1CCCc2ccccc21	32701787	KHAYTOSTTKHNQF-OQKWZONESA-N	485.074	6.081	10	40	JKCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12	41076374	ZNEZYVXMXZCHFT-CYXYEOSYSA-N	492.988	5.759	10	40	JKCB	
COc1ccc(OC)c([C@H]2Nc3ccc(S(=O)(=O)Nc4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	58846356	APMPGSQIVZFYOV-TYPXCFOJSA-N	490.625	5.948	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	223419500	SBHLUDRLJXTBAN-IZLXSDGUSA-N	482.653	5.979	10	40	JKCB	
COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)cc1	223420261	BDTCHJWVXQAIRE-SXOMAYOGSA-N	486.616	5.810	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)cc1	223971863	CWAZYZCQUAIBCT-SVBPBHIXSA-N	481.625	5.625	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	224237525	SVXXNURUMLFVTD-FTJBHMTQSA-N	482.609	5.673	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)cc1	224339912	FNRWQDKBPYSJOV-MFMCTBQISA-N	494.708	7.154	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)C1=O	408802427	DXOYLCDLUNFVEQ-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C2=O)cc1	409093783	BLFRLJBABVDYKE-HYARGMPZSA-N	477.586	5.550	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1ccccc1F	409204799	KQCXQEPJHQDAEI-LPYMAVHISA-N	468.575	5.369	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1	409229963	BCBZEIYHCUMGGE-XQNSMLJCSA-N	458.608	5.540	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1	409234053	YGSAXBRVZODKLW-CPNJWEJPSA-N	463.990	5.196	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O	409255701	ZKTOCILZVPZGIG-LICLKQGHSA-N	486.330	5.515	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)SC2=S)c1	409327970	OLQYMOHUGUIPCS-YVLHZVERSA-N	465.463	5.643	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(c4ccccc4F)C3=O)o2)c1	409334185	UWCGYGLGTFBUCX-VCHYOVAHSA-N	459.907	5.843	10	40	JKCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br	409335193	ZILJZWGDRAMUBF-YBEGLDIGSA-N	499.249	6.016	10	40	JKCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)o1	409338029	BSWUAUKDGMXJOS-YBFXNURJSA-N	455.944	6.012	10	40	JKCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1Cl	1840458	ZVEBQZGNGGOEHH-DURWOYGOSA-N	477.438	6.170	10	40	JKCB	
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)c4cc(C)n(-c5ccc(F)cc5)c4C)C3=O)ccc2c1	3456533	IDXCSZAPIYCRQA-GDLZYMKVSA-N	499.542	5.045	10	40	JKCB	
CC(=O)OC(OC(C)=O)c1ccc2c(c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O	3844569	GDMNCECIVDEFFU-UHFFFAOYSA-N	476.095	5.200	10	40	JKCB	biogenic
COc1cccc(NC(=O)CCCN2C(=O)/C(=C/C(C)=C/c3ccccc3)SC2=S)c1	8820554	ZETORTDFUPKYHS-CMMGMQPASA-N	452.601	5.262	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1	9188728	AZLNMSRNAYJNKM-JCMHNJIXSA-N	460.580	5.120	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccc(C)cc1	9189393	XCIWYMXFLHVRAQ-IWIPYMOSSA-N	461.608	6.297	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9293386	ALQYJVPCWSTQEM-WTCJYIDHSA-N	466.010	5.947	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C2=O)cc1	9310356	JNAXHXFZOOASBY-OEAKJJBVSA-N	485.927	5.018	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)SC(=S)N1c1ccccc1	12285410	LWUQQQLOZLOBGV-BKUYFWCQSA-N	455.963	6.464	10	40	JKCB	
CN1/C(=C\C=C\c2c3sc(-c4ccccc4)c(O)[n+]3c3ccccc3[n+]2C)C(C)(C)c2ccccc21	16693734	HFVIMRXQQCQFLN-UHFFFAOYSA-O	491.660	6.162	10	40	JKCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	33656544	JYXUXANITYJCTL-VKRJAPGXSA-N	499.596	5.191	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1	103918580	LOKFJJPGODXPQC-STZFKDTASA-N	466.563	5.211	10	40	JKCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1	103919319	UMERTGPRNXVSMQ-UYRXBGFRSA-N	460.481	6.084	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccccc1C(=O)O	223860172	PTPRYTRCYIDKCD-DQEYMECFSA-N	484.581	5.070	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1	224220270	WCYOVXAUDWFGGB-CLJLJLNGSA-N	454.599	5.675	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C	224266874	MRVJINAIDXWCPC-URLMMPGGSA-N	480.681	6.845	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(O)cc3)c2C)cc1C	224269310	IQGOKXYABTVKPY-SVBPBHIXSA-N	468.626	5.989	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C	224373734	JWDWXHVWWAMSQP-KAYWLYCHSA-N	481.669	6.493	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccccc1O	224400996	UFQYXXUMXRBWLJ-DQEYMECFSA-N	458.562	5.511	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2C)C(=O)/C1=C\NC(=S)Nc1cccc2ccccc12	408533487	SMKFHMIUYSRQNV-UYRXBGFRSA-N	493.430	5.812	10	40	JKCB	
CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)cc1	408632943	HWZIAWXDNXCXTR-HKWRFOASSA-N	456.999	5.682	10	40	JKCB	
O=C1/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)SC(=S)N1c1cccc(Cl)c1	408728010	ZBMZWIYVFXIGDE-AXSMUARKSA-N	486.405	7.520	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2sc3ccccc3c2Cl)cc1	408760500	ZSIVTMREZVPITQ-HMMYKYKNSA-N	474.969	6.406	10	40	JKCB	
CCOc1cc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OCc1ccccc1	408833838	ZLFRWBAVXWPILB-SWYRRKHMSA-N	475.972	6.842	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4CC)c3C)C2=O)cc1	408959753	FGNRABINXCLQQS-LFVJCYFKSA-N	455.558	5.194	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409069298	MIDBKANRZWLSGR-ONUIUJJFSA-N	498.623	6.412	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O	409253555	ZPGQEAMAZWPUEF-WCIBBKAISA-N	472.610	5.972	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)c(C)c1	409346149	NKQMYVCFPOLIDH-MTJSOVHGSA-N	450.541	6.186	10	40	JKCB	
Cc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(C(F)(F)F)c1	409348372	SGAOJPZDIXQCOI-UDWIEESQSA-N	464.578	6.647	10	40	JKCB	
CCCCN(C)Cc1c(O)ccc2c(-c3cc4cc(Br)ccc4oc3=O)cc(=O)oc12	2135809	HOAADLUXPWZKTQ-UHFFFAOYSA-N	484.346	5.266	10	40	JKCB	biogenic
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccccc2F)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2443547	QUVRNKYCHZLDKN-CYXNTTPDSA-N	479.551	5.874	10	40	JKCB	
Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3cc(Cl)ccc3N3CCCCC3)c2C)cc1	2638339	YCJFVSUQPITFJB-UHFFFAOYSA-N	486.037	5.165	10	40	JKCB	
CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9273927	IMTRWDSSHNCHHV-SDHOMARFSA-N	453.925	5.362	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N=C2S1	9291170	AGSVCIGCIPKALG-GYJSJHSDSA-N	467.381	6.163	10	40	JKCB	
O=C(O)c1cc(-c2ccc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)o2)ccc1Cl	20146022	VXIYSEKMHOOPOH-UVTDQMKNSA-N	470.865	5.109	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(SCc4ccc(Cl)cc4)o3)SC2=S)cc1	20324838	FEGWEWXRFINCDI-MOSHPQCFSA-N	472.056	7.194	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)C(=O)N=C2S1	32109556	INPCCDGTNUGGOP-HGEMSSTASA-N	459.550	5.638	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)SC2=S)cc1	32124665	CCLRCESODIRKOM-HYARGMPZSA-N	494.619	6.469	10	40	JKCB	
Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)O)cc(Br)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1	58928868	IYGODJJUXMEZBR-SLSDLSHTSA-N	490.397	6.861	10	40	JKCB	
O=C1/C(=C\C(Cl)=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1Br	106294199	JNLZIMSNZALWAX-VOANPMSRSA-N	481.780	5.886	10	40	JKCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccc4C(F)(F)F)c3C)N21	222695727	NJYRCDLQUFTRGJ-JJEOQYAHSA-N	470.564	6.487	10	40	JKCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2O)c1C	222956808	SDCFNVALSPBHQT-GOTSBHOMSA-N	455.027	5.621	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1ccccc1Cl	223096884	AUIMYDNKIIUEEK-JWQCQUIFSA-N	465.066	6.448	10	40	JKCB	
CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1NC(=O)C(C)C	223238922	WJRKZFDXXSQBLR-MOPGFXCFSA-N	489.707	5.279	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223856462	RFLAKRKMMRYPPI-RRPNLBNLSA-N	468.626	5.934	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	224574030	SXAMJWCZTNDYPB-FTJBHMTQSA-N	469.614	5.378	10	40	JKCB	
CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1Cl	225670655	OUXOIUCRJXTYPK-IAGOWNOFSA-N	460.043	5.801	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C(=O)NC2=S)c1	260572668	XRWVICUESNECTQ-MBTVCVBTSA-N	482.049	5.510	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)cc21	260924185	RYVFFLDGBQGHAH-DQEYMECFSA-N	475.061	6.544	10	40	JKCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1c(Cl)cc(Cl)cc1Cl	408533596	OMOXWKJGIZGTOQ-JYRVWZFOSA-N	473.585	6.436	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408756324	YZJKJISFRCNSIS-XSFVSMFZSA-N	488.952	6.096	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(OCc2ccc(Cl)cc2)c1	408814223	OJEASUNETMEZKS-XDHOZWIPSA-N	497.334	5.247	10	40	JKCB	
CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O	408823410	FEVHRYAWVFBHEK-JJIBRWJFSA-N	470.525	5.029	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1Cc1ccccc1F	408870797	XAJWPMGFUCKMMZ-UDWIEESQSA-N	478.907	5.135	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cc(C)cc(C)c3)c(OC)c2)C1=O	408888402	VDHLBRSYRLRMKV-HAHDFKILSA-N	484.552	5.120	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(C)n(-c2ccc(C(C)C)cc2)c1C	409030075	CCOKTMFAFBKUHL-YBFXNURJSA-N	487.472	6.719	10	40	JKCB	
O=C(O)CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S	409109047	XBUALEAJIBWHBM-LICLKQGHSA-N	468.383	5.248	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1	409119929	UOKZLSIZTZSFNH-HYARGMPZSA-N	462.958	5.774	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)SC2=S)cc1Cl	409330838	NAPDVLMBGGEAKO-FMQZQXMHSA-N	479.808	5.998	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1	409332153	PPDGVFZJOYLQIA-DEDYPNTBSA-N	474.529	6.437	10	40	JKCB	
CC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)c(Cl)c4)C3=O)o2)cc1	409341917	CIEZRFFDEWCDGM-JAIQZWGSSA-N	474.390	6.862	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409342793	CMOGKTFAPBEMEH-NDENLUEZSA-N	479.539	5.505	10	40	JKCB	
CSc1nnc(CCCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1C1CCCC1	8707003	AVQVNFTXRNYULQ-UHFFFAOYSA-N	451.640	5.194	10	40	JKCB	
COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1	8721834	INWLADADDRUBTH-UCQKPKSFSA-N	490.943	5.520	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4C)cc3)C(=O)N=C2S1	9425597	OMXGGJKOKFVKCT-SGTPPTLOSA-N	462.575	5.262	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccccc1C(C)C	9763009	KIAGFOZMYZTGSC-UNOMPAQXSA-N	464.008	5.419	10	40	JKCB	
CCSc1c(C(=O)Nc2ccc(Br)cc2)ccc2c1C(=O)c1ccccc1C2=O	12412572	OIIXINQCKVXIPI-UHFFFAOYSA-N	466.356	5.589	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OCc1ccccc1F	15224882	SJNDAMVNEBBIBE-ULGBZLAJSA-N	486.956	5.342	10	40	JKCB	
COc1ccc(Nc2ccc(N/C(C)=C3\C(=O)N(c4ccc(F)cc4)N=C3c3ccccc3)cc2)cc1	20287800	IJKODWCTLHXNJZ-RRAHZORUSA-N	492.554	6.715	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(F)cc1)N1CCOCC1)c(O)c1ccccc12	24102787	JSMIYSANCKIMND-XMMPIXPASA-N	463.505	5.337	10	40	JKCB	
O=C(COC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc([N+](=O)[O-])cc1	32121385	RUVXROJGWOQHRZ-UHFFFAOYSA-N	487.471	6.037	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c(CN1CCN(c3ccccc3F)CC1)c(O)c1ccccc12	54114209	AISKLMLOLDVWGC-UHFFFAOYSA-N	462.521	5.238	10	40	JKCB	
O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1ccc(Cl)cc1	102761845	NGSZVKITUOELLM-DYXWJJEUSA-N	489.742	5.404	10	40	JKCB	
CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1	104145298	IWDPBOKFJVLFSH-PMERELPUSA-N	479.624	6.788	10	40	JKCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	112298092	VAZYRKZQCYGFGJ-UQQQWYQISA-N	475.932	5.784	10	40	JKCB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(C4CCCCC4)C3=O)o2)cc1	208714374	DDPHJBYWQKBPRP-JWGURIENSA-N	469.628	6.437	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1	223758993	WZLHOLLTKVZVIW-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2[C@H](C)CC1(C)C	260569563	QYSSAWJAITXJDG-SUVVMJBMSA-N	452.595	6.563	10	40	JKCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccc(OCc4ccccc4Cl)c3)cc2)C1	260801732	LPAPKJMBEKBLPE-SFTDATJTSA-N	463.021	6.646	10	40	JKCB	
CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1	408645245	ULYWMHZUUPIVKK-QFIPXVFZSA-N	450.538	6.186	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c(C)c1	408939484	SSNXTDGQIFFQOS-HMAPJEAMSA-N	460.917	5.202	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1C	408966539	MCAIGJDTVAPYIP-XDHOZWIPSA-N	482.367	5.630	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	408967324	PXTNNTOUIXIMFH-JLPGSUDCSA-N	487.625	6.067	10	40	JKCB	
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1	409148694	ZUNNJAOSFKQTEI-KOEQRZSOSA-N	485.653	5.885	10	40	JKCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	409329791	IILGAUPJYDGBIN-NVMNQCDNSA-N	478.389	5.372	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1OCC(=O)OC	409334101	TYWJUCAKWJXYDE-YBFXNURJSA-N	492.018	5.313	10	40	JKCB	
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)SC(=S)N1c1cccc2ccccc12	409357777	KELIPXJEPDBXOG-WPWMEQJKSA-N	476.626	7.249	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC	409378343	OGIULHGJGGZVRM-UZUMKDMXSA-N	487.021	5.310	10	40	JKCB	
CCOC(=O)Nc1ccc2c(COC(=O)c3cc(C)n(-c4ccccc4)c3C)cc(=O)oc2c1	3307490	VNPXOFKWAZHUKJ-UHFFFAOYSA-N	460.486	5.126	10	40	JKCB	
CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(N(C)C)cc1	8684655	TUXNHFUXZNQYFF-DICHSLLOSA-N	451.551	5.960	10	40	JKCB	
CC1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)CC1	8820167	CDJJHIYCFJCYIK-CYVLTUHYSA-N	451.057	5.360	10	40	JKCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	8821444	MDSCVNKMBLRADM-ADFUCPMPSA-N	470.399	6.098	10	40	JKCB	
CCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C(=O)N=C2S1	9246302	AABDRDNBRQXMQH-HCNNPVLLSA-N	499.390	5.066	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	9309812	UONPFZLAMKGKSH-IITIWOBESA-N	495.942	5.693	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1	9354888	QZYMWBWXIDBZTG-OVVQPSECSA-N	476.580	6.441	10	40	JKCB	
N=C1/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N=C2SC=C(c3ccccc3)N12	9425723	LPYBYBMBCQNDDA-WTPQPOPRSA-N	455.514	5.709	10	40	JKCB	
COc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	12032410	PLWDIAJJGZTYGN-QGOAFFKASA-N	491.432	5.078	10	40	JKCB	
CCOc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)cc1	12464083	PTGYDDMSWIVKDJ-QLYXXIJNSA-N	483.637	5.463	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(I)c1O	12628847	BBUCWMPPTYEFLI-SXGWCWSVSA-N	497.379	5.028	10	40	JKCB	
Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	13141781	PDSNYBOIOKMNMT-UHFFFAOYSA-N	495.531	5.402	10	40	JKCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3cccc(OCCOc4ccc(C(C)(C)C)cc4)c3)C2=O)cc1	27527820	DPPSELHAQHKYNR-XHPQRKPJSA-N	498.579	6.257	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)O)N3)cc1	58846879	QAMZWXPCOGJYIE-XXAUWVGASA-N	488.609	6.136	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2OC)N3)cc1OC	58849521	DOPFXQRIGFVEIY-VKIDHGPPSA-N	492.597	5.340	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1C1CCCCC1	59109547	CLYVFFSHDBPXNC-XQNSMLJCSA-N	491.975	6.009	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C(=O)NC1=S	208519572	KGFBWAUMTALQND-PXLXIMEGSA-N	473.642	5.411	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc5ccccc45)C3=O)o2)cc1	208696071	BOPCTLJSRNERQG-JLPGSUDCSA-N	485.586	6.682	10	40	JKCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	222872538	QNCGSBFCZWCEPZ-YADHBBJMSA-N	458.553	5.890	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1C	223095630	GRBDDBMLZYNDBG-SXOMAYOGSA-N	458.675	6.357	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1ccccc1F	224432359	SFBXAVFADOHUBA-LOSJGSFVSA-N	460.553	5.944	10	40	JKCB	
Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccccc3O)c2C)ccc1F	224900245	LMRYADXLYUXDTA-IZZNHLLZSA-N	472.589	5.819	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(N4CCCC4)cc3)c2)cc1	225425065	YVPHWTLJJPWCDZ-UHFFFAOYSA-N	471.670	6.302	10	40	JKCB	
C[C@]12CCCC[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(CSc4ncc(-c5ccccc5)s4)[C@@]3(C)CC[C@H]12	253504092	RUPJLEKJZUBHKS-LFQNFQPJSA-N	481.771	8.066	10	40	JKCB	
CC(C)N1c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2[C@H](C)CC1(C)C	260565419	IOEMHDFFQSNJBP-SUVVMJBMSA-N	479.602	6.332	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1C	260925652	WLJSKBTVOZNSKR-LPPUWEFUSA-N	460.647	5.203	10	40	JKCB	
O=C1/C(=C/c2ccc(Br)cc2)C=C(c2ccccc2)N1c1cccc(Br)c1	408737972	GUZPQXDUMPBVAN-QGOAFFKASA-N	481.187	6.683	10	40	JKCB	
COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(Br)cc3)C2=O)c1	408761457	FPRPZYQWRJRTDW-KGENOOAVSA-N	467.750	5.946	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCc1ccccc1	408801154	RRWICTKAZATIAE-FYJGNVAPSA-N	490.943	5.293	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)c([N+](=O)[O-])c1	408985935	OBPIWHJOANLNPM-LDADJPATSA-N	451.309	6.681	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(OCC(C)C)c(Cl)c2)C1=O	409045410	GPFKATALMOUUTH-VGOFMYFVSA-N	481.763	5.656	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1	409047137	NHQLHZNSGAIZCX-CIAFOILYSA-N	455.316	6.518	10	40	JKCB	
O=C1[C@H](Cc2ccc(OCc3ccccc3F)c(Cl)c2)SC(=S)N1Cc1cccnc1	409149559	JXCFIHQYVPBCPW-NRFANRHFSA-N	472.994	5.425	10	40	JKCB	
O=C1/C(=C/c2ccc(O)c(I)c2)SC(=S)N1c1ccc(F)c(Cl)c1	409178167	JHICASUMCIYFEN-NSIKDUERSA-N	491.734	5.195	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(=O)OC	409333344	RZXLHQLLUYPWOU-ODLFYWEKSA-N	492.018	5.313	10	40	JKCB	
CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c([N+](=O)[O-])c2)SC1=S	2696965	GPXDJYBFZXCKQL-STZFKDTASA-N	494.598	5.457	10	40	JKCB	
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Br)cc1	6600582	OYGNHWGEYMYEKF-HYARGMPZSA-N	491.381	6.717	10	40	JKCB	
COc1ccc(C2=NN(C(=O)CSc3ncc(-c4ccccc4)n3C)[C@@H](c3ccco3)C2)cc1	23292439	SYILZTIPQOAZJT-JOCHJYFZSA-N	472.570	5.159	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N=C2SC=C(c3ccccc3)N12	33343603	BLBLDWPJJWBWBX-XSBGCYDXSA-N	466.349	6.558	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)ccc1OCc1cccc2ccccc12	33452078	YYPUCHYEPFJHQL-IMRQLAEWSA-N	480.589	6.900	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c1	33930437	KJQMGJQORXCTRH-GQBVICOWSA-N	491.638	5.318	10	40	JKCB	
CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S	51364652	NRFRZXDBYPEBTQ-FBKCMUNRSA-N	453.994	5.008	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1Cl	100525205	RVQLENVHQCVQDV-GSWFEHRJSA-N	474.771	6.101	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(Nc4cccc(Cl)c4C)=NC3=O)cc21	208473956	OFXZEKIVWXLOCG-FBHDLOMBSA-N	472.441	7.016	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222926132	LXMSSOJMXWTNBS-ZEQRLZLVSA-N	479.606	5.034	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1C	224437785	GIIQFAYNORDKLH-FTJBHMTQSA-N	491.035	6.767	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224534491	WHTVRHRBFXQCNS-VSGBNLITSA-N	497.668	5.741	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)SC2=S)cc1	408574648	BAJSYXDDYHZBAZ-IWIPYMOSSA-N	488.634	6.035	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)SC1=S	408575417	OFXWLITZSXQMHG-ZDLGFXPLSA-N	481.426	5.621	10	40	JKCB	
O=C1/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)SC(=S)N1Cc1ccccc1	408724939	CHCXXWLWNROAQE-NEDRFQDPSA-N	465.987	6.862	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCc1ccc(Cl)cc1	408776712	PWWIKAJFJZTFBW-LPYMAVHISA-N	490.943	5.211	10	40	JKCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(Cl)ccc1Cl	408789065	IWBOPMDNIFHMLW-VCHYOVAHSA-N	488.758	5.721	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Cl)c(Cl)c3)C2=O)c1C	408871333	YJTYTQIRQPEUEL-UDWIEESQSA-N	479.363	5.867	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)ccc1OCc1ccccc1F	408896985	VDRRJBCWLOLSML-QNGOZBTKSA-N	488.515	5.032	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)N(c2ccc(Cl)cc2)C1=S	409011931	PEOATQSMWSETCM-HMAPJEAMSA-N	498.435	5.965	10	40	JKCB	
CC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4c(F)c(F)c(F)c(F)c4F)N=C3C)c2C)c1	409040225	YAOFRBQUWCVJOF-VCHYOVAHSA-N	487.428	5.798	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)NC2=S)c(C)c1	409133520	MCHULVACNHZSMX-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
O=C1[C@H](Cc2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1cccnc1	409160311	GKCOCVAKBQNWOM-NRFANRHFSA-N	455.004	5.286	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)SC2=S)cc1	409339189	FMHVUBIEIKWIPB-UDWIEESQSA-N	486.958	6.313	10	40	JKCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc1	409339564	WFHDDRPRDCRKFD-NVMNQCDNSA-N	482.852	6.543	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)SC1=S	409345918	MDCUPGIHEREQGS-NDENLUEZSA-N	451.525	5.368	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1OCc1ccc(Cl)cc1	409348366	SFYUVLPYOSMMFK-MTJSOVHGSA-N	485.989	6.473	10	40	JKCB	
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC(=S)N1C1CCCCC1	409349776	WCCIKAAAUAMYPG-STZFKDTASA-N	454.573	5.708	10	40	JKCB	
Cc1c(O)c(CN2CCCC3=C[C@H]4C[C@@H](CN5CCCC[C@@H]45)[C@H]32)cc2c(-c3ccccc3)cc(=O)oc12	1614467838	INEPBNWDIOGOER-MDQQPNHYSA-N	496.651	5.869	10	40	JKCB	biogenic
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1C(F)(F)F	1181699	JCXDPXFDNFSEFJ-LFIBNONCSA-N	470.925	5.589	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c1	2373793	JFKYITUZBYAZGF-UZXDDYOISA-N	472.614	5.640	10	40	JKCB	
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S	2696838	JNZIMBGDSPCJFC-OSVNEOKWSA-N	481.712	7.018	10	40	JKCB	
Cc1oc2ccc(O)c(CN(C)Cc3ccccc3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1	8612193	CIATVCCPFKNCHK-UHFFFAOYSA-N	468.475	6.350	10	40	JKCB	aggregator
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(c4cc(C(=O)O)ccc4C)C3=O)o2)c([N+](=O)[O-])c1	8821548	JKFAGCIBNMOOHS-RGVLZGJSSA-N	480.523	5.576	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C2=O)cc1	9076599	IJMKHQVXOQGPBH-HEQHKCQXSA-N	471.557	5.283	10	40	JKCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)c2C)c1	9261234	LXBLJGRKMQWFRZ-OEAKJJBVSA-N	495.000	6.161	10	40	JKCB	
COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1C	9425600	YQFMXXGHFAMXQH-OPATVOHWSA-N	492.601	5.127	10	40	JKCB	
Cc1ccc(C(=O)Oc2c(-c3ccc(Cl)cc3)c3nc4ccccc4nc3c3ccccc23)cc1	9659795	PSQAGPXPGVGHEI-UHFFFAOYSA-N	474.947	7.784	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)cc(OC)c1O	35040719	QRCMHCNNLFKENF-XDJHFCHBSA-N	481.636	5.206	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)SC1=S	83259484	MHDFWDKKPCWIBH-YVLHZVERSA-N	498.851	5.911	10	40	JKCB	
O=C1/C(=C\c2ccccc2OCc2cccc3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1	113833935	CVZOQXKEADGCKI-MFKUBSTISA-N	498.585	6.733	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccn3)c2C)c1	224538173	RGGGNIASPHBDEK-FTJBHMTQSA-N	469.614	5.378	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C	224569554	MBGUFCGNIBWXJU-CLJLJLNGSA-N	498.608	5.373	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C	224573870	IPERWRBNKMWRKK-LOSJGSFVSA-N	469.614	5.378	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)cc21	224593559	HBICLFCTJSZYDI-JWQCQUIFSA-N	491.060	6.249	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1	225059702	WULHTSCONJBOJR-VSGBNLITSA-N	497.668	5.664	10	40	JKCB	
Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3Cl)N(C)C(C)(C)C[C@H]4C)C2=O)cc1	260573528	YYAGTCZVLZBLHU-OLIBUNOHSA-N	455.023	6.607	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)cc21	260909806	ABEISFDBUVNGAZ-DQEYMECFSA-N	493.051	6.683	10	40	JKCB	
COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)O)n[nH]1	408630482	AEFBTZIGMQQFIW-MTJSOVHGSA-N	480.977	5.759	10	40	JKCB	
Cc1cccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)N2c2cccc(Br)c2)c1	408761151	CJEFREWBUANSQJ-PCLIKHOPSA-N	467.366	6.745	10	40	JKCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1	408877263	UABPZADIIVWGQN-OEAKJJBVSA-N	458.945	5.522	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O	408890341	RPOZBFFEJBQFHO-UDWIEESQSA-N	464.880	5.033	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(SC)cc1	408894335	PXPOPWKAUDXJID-UYRXBGFRSA-N	458.377	5.438	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SC1=S	409032399	CYXFPBPTKRYBBQ-NKVSQWTQSA-N	475.466	6.854	10	40	JKCB	
Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	409130308	LEXRRHKSSPJDOS-JAIQZWGSSA-N	470.381	5.801	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc2ccccc2c1	409192191	VKELWYNZGGXTAA-BUVRLJJBSA-N	458.970	7.142	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc([N+](=O)[O-])c4)C3=O)o2)cc1[N+](=O)[O-]	409347410	PUCXVMKYLJXLAM-ODLFYWEKSA-N	467.484	5.477	10	40	JKCB	
CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C	1895997	NRTVEQCMXVIAAL-UHFFFAOYSA-N	462.990	6.309	10	40	JKCB	
CC(C)CN(Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)coc12)CC(C)C	2418160	FHFQXSPUDFCFQY-UHFFFAOYSA-N	474.395	6.167	10	40	JKCB	biogenic
O=C(c1cccs1)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2447616	NLQRIIFGZITTRC-VJGNERBWSA-N	487.580	6.064	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)SC2=S)cc1	8821543	QQJKEMXWWANDSB-FYJGNVAPSA-N	450.541	6.131	10	40	JKCB	
CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccc(OC)cc2)cc1	9288919	WGXXSELPJKKXPU-SFQUDFHCSA-N	482.588	5.161	10	40	JKCB	
CCCCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	9310028	UJCPHCYMFFTTPP-XSFVSMFZSA-N	451.569	5.962	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)cc2)cc1	9762514	RAPXDFXJQHGFOK-HMAPJEAMSA-N	452.000	6.633	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	9973037	FDJLMPLWPBQVEH-WQRHYEAKSA-N	478.979	5.447	10	40	JKCB	
CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1C	13148568	CXQZGIUGVYOCLT-UHFFFAOYSA-N	470.525	5.282	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	13688922	JYBCTTGGQDFZBT-KHCICDEESA-N	470.783	7.693	10	40	JKCB	
CCOC(=O)COc1c(Cl)cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)cc1OC	13915342	RKICXGUWDRZUHK-WOJGMQOQSA-N	477.991	5.005	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccccc1F	13943801	YSADWUNLRWQJKL-PTHWDJNLSA-N	485.466	5.319	10	40	JKCB	
CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	14086853	MRYOOXMMPWUZGI-VWLOTQADSA-N	456.933	5.596	10	40	JKCB	
COc1ccc(Oc2ccc(-n3c(C)cc(/C=C4/C(=O)N(C)c5ccccc54)c3C)cc2)cc1	20059398	GYPLXOYQVKXBKS-OVVQPSECSA-N	450.538	6.412	10	40	JKCB	
O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	33664525	YFDUKZCBXBLTBX-NHDPSOOVSA-N	477.929	5.717	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccc(F)cc5)SC4=NC3=O)c2C)c1	34257702	XAPZVDYBBVORSU-NMHFRFNZSA-N	471.561	5.518	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	34387535	BVIJXUWKZLSVRT-UDYIERFUSA-N	467.913	5.147	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3C(c4ccc(F)cc4)=CSC3=NC2=O)c(C)n1Cc1ccccc1	41083607	GTQVQTWLKRVJLJ-FKSRUJNBSA-N	456.546	5.597	10	40	JKCB	
CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[C@H]3C=CC[C@H]32)cc1	58847478	WOWJWQDNHYTFRW-CLCZQPDDSA-N	493.072	7.265	10	40	JKCB	
O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[C@H]2C=CC[C@H]21	58847584	FILPWXGOMZARBR-GLDPYIMESA-N	481.961	5.876	10	40	JKCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Oc1ccccc1	103919010	HQHOKEUHXHAYMC-ITYLOYPMSA-N	475.976	7.030	10	40	JKCB	
Cc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208226896	CDLKMHDRUQNQPB-BDQMVGTNSA-N	481.593	5.531	10	40	JKCB	
COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222994640	AKAPBLQDFATEIU-FCHUYYIVSA-N	474.552	5.127	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)cc21	223482948	IXPIQISSIBKFKD-FYJGNVAPSA-N	480.033	5.582	10	40	JKCB	
CCN1c2cc(C)c(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)cc2[C@@H](C)CC1(C)C	223583285	JKOVDNXRXNUWSG-OVBDPADQSA-N	475.658	5.555	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1ccc2c(c1)OCO2	223862855	VMNDAHVTVACFHL-UIOOFZCWSA-N	484.581	5.101	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)c1	224220832	KNSWXVBGLVYJGI-SVBPBHIXSA-N	496.636	5.761	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)c1	224240313	BTEPZXYVNAVPDC-SXOMAYOGSA-N	496.636	5.981	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccc1Cl	225015438	MVTAHRSFYCPQPU-DNQXCXABSA-N	451.039	6.058	10	40	JKCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)cc1	408870086	VCQHQHOQJMDOBB-NLRVBDNBSA-N	494.522	5.635	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl	408891918	FIFJGKYHUSDFDX-JYRVWZFOSA-N	457.140	6.177	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1Cl	408987536	OZKHZQWVXNZVAO-MYYYXRDXSA-N	496.950	6.047	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)NC2=S)c1	409239644	ZWSBZFCHFXLDFW-DEDYPNTBSA-N	478.017	5.504	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c(OCc2ccccc2)c1	409347408	PVILFQRUAMBOPQ-ONUIUJJFSA-N	488.678	6.826	10	40	JKCB	
O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC(=S)N1c1cccc(F)c1	2279648	GIVBFEAAAYPMEZ-LPYMAVHISA-N	455.514	5.500	10	40	JKCB	
CCCCNC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	8828425	IGMWPCDFCVYXBF-LDADJPATSA-N	464.534	5.641	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)cc1	9232600	FQHNXIUHYKYYFW-OVVQPSECSA-N	496.657	6.891	10	40	JKCB	
COc1ccc(-c2ccc(/C=C3/C(=N)N4C(c5ccccc5)=CSC4=NC3=O)o2)cc1Cl	33153886	FRAUMKYBCRCLKF-HACRSSKKSA-N	461.930	5.913	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	33429738	UXZYMZPDBYGUHR-YWFYUINISA-N	494.407	6.068	10	40	JKCB	
CC(C)c1ccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Cl)cc1	41076689	BFXDCFFERIXASH-VZKFJVGXSA-N	467.978	5.698	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1	59194106	PSUWKJZXUCELDD-UNOMPAQXSA-N	483.351	5.433	10	40	JKCB	
CC(C)Oc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21	96114023	PRSMVNCLGBKJCN-QGZVFWFLSA-N	458.466	5.099	10	40	JKCB	biogenic
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3=C(C)C)[C@@H]2C(=O)O)sc2c1CCCCCCC2	138219500	LJIWTCOZEBXBSZ-OVQGTLEDSA-N	473.635	5.606	10	40	JKCB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2ccc(OC)cc2)cc1	223780656	OQKSZXTXNRKPKF-UIOOFZCWSA-N	470.598	5.375	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	223821719	KHVFNRKEWNCAOW-FQLXRVMXSA-N	496.680	6.682	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224339096	UYDBVZBPDZRNEQ-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	224399589	PZDRQXJMTDISAQ-DQEYMECFSA-N	460.553	5.944	10	40	JKCB	
O=C(O)CN1C(=O)/C(=C/c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)SC1=S	408726603	UHOYPSRTYFZSFN-NHIBTCEFSA-N	467.450	5.112	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C=C2c2ccccc2)cc1	408739726	ZZZWDZLMQBGNGN-HMMYKYKNSA-N	459.343	5.879	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(Br)c3)C2=O)cc1	408752528	BJBRAWQXNUEKMR-FYJGNVAPSA-N	479.305	5.209	10	40	JKCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C=C1c1ccc(Cl)cc1	408752563	BQOAJGRASFGQFL-XMHGGMMESA-N	475.928	5.615	10	40	JKCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2sc3ccccc3c2Cl)N1c1ccccc1	408841809	HTMQMIHVJRJVDC-XMHGGMMESA-N	493.813	7.152	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408993743	FLONQXQXUXTPRC-RCCKNPSSSA-N	493.415	7.441	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	409013067	MDNOKXBKMKCICQ-XKZIYDEJSA-N	495.406	6.274	10	40	JKCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	409015733	DSVIHGKCVSKZDN-WCSRMQSCSA-N	457.140	6.177	10	40	JKCB	
CCOc1cc(OCC)c(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Br	409149316	BIQDSKOEQOVNAD-HXUWFJFHSA-N	494.476	5.261	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)c3ccccc32)cc1	409184250	VPLCQDXSOHMEIA-IWIPYMOSSA-N	483.618	5.544	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)SC2=S)cc1	409341920	AMQLWNDTILVEMH-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
O=C1/C(=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)SC(=S)N1Cc1ccccc1	2961872	CUZFFVSYTKUDGT-XKZIYDEJSA-N	469.990	6.460	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O)=C\c1ccccc1	8820612	QMVSMXVNHGZNOF-VWGPNLTPSA-N	492.710	6.442	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Oc4ccc(N)cc4)cc3)C(=O)N=C2O)cc1	8997173	RASFDLUSJKMRAE-ULJHMMPZSA-N	470.529	5.414	10	40	JKCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5C)SC4=NC3=O)c2C)cc1	9161344	UVIRLCFDBJYGAJ-MSYYJCCKSA-N	483.597	5.469	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1	13801297	JTAROFWQNZLJFL-BOPFTXTBSA-N	450.507	5.244	10	40	JKCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c1C	13813506	LUDBGBJTPUUZKF-ALLGYFEPSA-N	499.596	5.109	10	40	JKCB	
COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCc1ccc(F)cc1	27549583	SUGXJBMBFXVBKN-XYSYLGEOSA-N	466.538	5.079	10	40	JKCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1	35646180	FBCOJISIGBMIDJ-NDENLUEZSA-N	459.354	6.735	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2c(F)cccc2Cl)N3)cc1	58850222	RLUFNKXHVVMJPI-ISCCLHIJSA-N	497.035	7.230	10	40	JKCB	
O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1	101512490	LQKFAZUASDHUOI-LGUFXXKBSA-N	464.952	6.754	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)C(=O)NC2=S)cc1	208240012	ITKLBQBZWKSOQZ-SLDJAQPHSA-N	482.049	5.456	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cccc2ccccc12	223533008	BHDDAGXSYCHNHE-VMPREFPWSA-N	489.648	6.210	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1C	224172876	FGMDWKYBKFDJTF-XCZPVHLTSA-N	466.654	6.537	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1	224399544	PZDRQXJMTDISAQ-LOSJGSFVSA-N	460.553	5.944	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1-c1ccccc1	224462714	UDKDQTVYWKMOCU-RPBOFIJWSA-N	459.018	6.320	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C	224868033	KTIVIOJEBXTLOC-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
COc1cccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)c1	408574226	LBAPNUUCKPLDMR-HMAPJEAMSA-N	476.579	5.119	10	40	JKCB	
CC(C)N1C(=O)/C(=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S	408577818	ULWCWQLVTYFWHD-ZDLGFXPLSA-N	480.533	5.333	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1)Nc1ccc(F)cc1	408577876	VEQWTKUAIGIRSH-KQWNVCNZSA-N	492.597	5.287	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OCc2cccc(Cl)c2)c1	408802917	JEIIHFSSOLJZHZ-CIAFOILYSA-N	497.334	5.247	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)C1=O	408872725	PBJLHDPGRWWGLR-MOSHPQCFSA-N	495.362	5.801	10	40	JKCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCc3ccc(C)c(C)c3)C2=O)cc1	408900766	URHUIMJCZSCPBF-UQQQWYQISA-N	484.552	5.338	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)C=C1c1ccccc1	408986963	UABCPFGFLUDTBV-GZTJUZNOSA-N	467.308	6.382	10	40	JKCB	
O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C=C2c2ccccc2)ccc1O	408987044	VBVINSJDONNLBJ-MHWRWJLKSA-N	452.293	5.869	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)N(CC(=O)OC)C2=S)cc1	409052975	FUKYQYQNUWWHKP-XYGWBWBKSA-N	487.625	5.113	10	40	JKCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c(OCc2ccccc2)c1	409200574	IGZRBUQZCARFLO-ZVHZXABRSA-N	496.629	5.347	10	40	JKCB	
CCN1C(=O)C(=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N(CC)C1=S	409202719	UIRGNYIZRQLJSD-UHFFFAOYSA-N	467.594	5.222	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S)c1ccc(Cl)cc1	409338170	FEPYJYNLWMDABL-WOJGMQOQSA-N	485.930	5.054	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3cccc(OC)c3OC)sc3c2CCC3)c1	920832	IVHIJHJJLFWJMC-UHFFFAOYSA-N	468.575	5.136	10	40	JKCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3CCOc3ccc(C)cc3C)C2=O)cc1	2263017	YVFNMERKHSKWDX-HAVVHWLPSA-N	457.530	5.253	10	40	JKCB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)ccc1Cl	6142939	CXCRIHMGSREZAG-UHFFFAOYSA-N	493.975	5.516	10	40	JKCB	
COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)OC4CCCCC4)sc3n2)cc1	6157079	JYCXILVVUJGSSC-UHFFFAOYSA-N	458.583	6.711	10	40	JKCB	
COc1cccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(Cl)c3Cl)C2=O)c1	8819174	SJBWZLNMTRQIEP-SFQUDFHCSA-N	481.426	5.622	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc4ccccc4c3)C2=O)cc1OC	8819468	XELOZZVEKFJFPB-HAHDFKILSA-N	492.622	5.477	10	40	JKCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccc(F)cc1	8997614	YAAIXBUPQCMUCI-FYJGNVAPSA-N	473.891	5.989	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)SC1=S	9234731	VDCKISQVGUMSML-MTJSOVHGSA-N	472.994	6.014	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C\c4cc(C)n(-c5ccccc5C)c4C)C(=O)N=C3S2)c1	9293630	LXZKEJGOHSBHIJ-DVELLGFNSA-N	453.571	5.378	10	40	JKCB	
CSC(=S)n1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)c1-c1ccccc1	17129934	DTHWDHSRPIWSCQ-OCEACIFDSA-N	493.455	7.891	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(c5ccccc5F)SC4=NC3=O)c2C)cc1	41108188	WFDDGPXLCFDRDT-HMCBYUHISA-N	457.534	5.209	10	40	JKCB	
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(OC(C)C)cc2)N3)cc1C	58846576	XBWUPGMFUXDUDD-IWVFXYMLSA-N	488.653	6.718	10	40	JKCB	
CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cs1	96403052	QSGXLLXZSJQLRR-RGVLZGJSSA-N	483.018	6.180	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	110422711	ISGXRQPASXZSGO-UBKPWBPPSA-N	467.443	5.442	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)cc1	223308309	BUIRQDMIMYGZCK-UCGXPXSYSA-N	460.647	5.203	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c1C	223313995	KXOIFSWVHFPMMS-LQGLAIQGSA-N	481.065	5.602	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1C	223388691	PPTPLFPYYNXZMJ-WUFINQPMSA-N	466.654	6.279	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1ccc(N(C)C)cc1	223463588	XAJMSYHEYKLJOB-KAYWLYCHSA-N	482.657	5.123	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223757302	IDQDEBUUGKGSKR-SXOMAYOGSA-N	468.626	5.983	10	40	JKCB	
CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	223796334	JKDLILMSXDCDEO-VMPREFPWSA-N	496.680	6.627	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c1C	223894654	ODLXPACIMDSBKO-FQLXRVMXSA-N	495.696	6.295	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(C)cc3)c2C)cc1	224204794	SVLHOIUBKUDXRP-SVBPBHIXSA-N	468.626	5.983	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C)c3C)c2C)c1	224535343	VJKPETXSXVLXMQ-VSGBNLITSA-N	482.653	6.292	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902634	ZDHQWJIMDGRKGD-IZLXSDGUSA-N	484.644	6.731	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(Br)cc1	225016374	INKHJYSKDCOQMB-RPWUZVMVSA-N	495.490	6.167	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)cc21	225036202	MLLHGIVQCSRTLF-VSGBNLITSA-N	497.712	6.188	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@H]4C)C(=O)NC2=S)cc1	260572531	WSBHSKKRAAILHJ-IERINAHZSA-N	489.685	5.889	10	40	JKCB	
CC(C)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1Br	408605979	ZTNSQTSEVAJAMH-WOJGMQOQSA-N	491.432	5.030	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCc4cccc(C)c4)c(Cl)c3)C2=O)cc1	408770892	AULFYEFQHPVWSI-RGVLZGJSSA-N	495.362	5.856	10	40	JKCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)c2C)cc1	408804438	FYXHYSBQGWPGQB-UHFFFAOYSA-N	495.024	5.996	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12	409047131	NGUPTCMNLOLLOE-MFKUBSTISA-N	487.386	7.532	10	40	JKCB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409220678	DEMHMFCEVRDEOL-HFITWMCCSA-N	498.526	5.867	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br	409338803	BITRRHSVEWXTCJ-LZYBPNLTSA-N	489.243	6.560	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(NC(=O)c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-]	409342069	BHMDMJJSBPQYFZ-YBFXNURJSA-N	499.957	5.363	10	40	JKCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)NC1=S	8438974	MTSNUACNUGDGPZ-CHHVJCJISA-N	472.191	5.022	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccs4)SC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	8450640	LUHJFLOULBXCHF-MDZWSVBZSA-N	499.543	5.842	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)SC2=S)c(C)c1	9188595	NBVYRPKXWHXNDU-STZFKDTASA-N	453.673	7.010	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	9290602	RUCYZWZAUMUENW-BJDNMCPZSA-N	487.673	6.636	10	40	JKCB	
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(F)c1F	14274910	VONCIYYLTAFBBM-UHFFFAOYSA-N	496.869	5.263	10	40	JKCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)c(C(F)(F)F)oc23)C1	19793082	HLJGASGSGIVPEH-INIZCTEOSA-N	489.534	6.839	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)c(C)n1-c1ccccc1	23483043	HURRSOPLDDHOFK-IBGZPJMESA-N	477.609	5.412	10	40	JKCB	
Cc1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c(C)n1-c1cccc(F)c1	24647722	VNKZWXVEOFECMA-MRXNPFEDSA-N	469.513	5.870	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cc2)cc1	27015534	ZMLIYQRPASELQH-JHRFGPFWSA-N	481.639	5.584	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1	32124619	UKGZFBQJBWXXNN-CIAFOILYSA-N	499.038	7.114	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59139013	PETSUUIXTQVCRK-OVVQPSECSA-N	493.538	6.125	10	40	JKCB	
CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1	100217754	RDXQSBAQKSWFNN-XNTDXEJSSA-N	452.725	5.542	10	40	JKCB	
CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	103869766	WTQHTGNCUZSUPS-NDEPHWFRSA-N	465.597	6.859	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1C	224169710	CSFPHMVWGNNLHU-RRPNLBNLSA-N	452.627	6.283	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)c(C)c3)c2C)c1	224902260	MSMMAROSISADFH-VSGBNLITSA-N	484.644	6.731	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21	260921083	OHLNAXPUEHMZIB-SXOMAYOGSA-N	483.685	5.956	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)N=C2c2sc3ccccc3c2Cl)c1	408762228	JQYFYNXQOOMVIW-UDWIEESQSA-N	497.834	8.004	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	408762798	MFYFEMCBRSXEBI-GZTJUZNOSA-N	486.782	7.135	10	40	JKCB	
CCCCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)cc1	408894269	BYBWSCLVBPPRSI-ULJHMMPZSA-N	488.515	5.250	10	40	JKCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc23)c1	408935534	HQWLNHXUZGJUEA-KOEQRZSOSA-N	464.546	5.250	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1cccc(Cl)c1	408944749	UYYABPLITCWFCY-HYARGMPZSA-N	481.777	6.488	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccccc4Cl)C3=O)o2)cc1	408985292	LIAZBHXNVDWXTE-OQKWZONESA-N	481.935	6.858	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)NC2=S)c1C	409141410	JQCBVRKRPKTKLY-WJDWOHSUSA-N	471.365	5.702	10	40	JKCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)SC1=S	409197494	GYIWXFGVJWIFLA-YDZHTSKRSA-N	478.042	6.299	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409198064	WBATWZGFMJMUNI-LPYMAVHISA-N	495.582	5.138	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)SC2=S)c1	409339542	VVSSZDKSONFOFV-XKZIYDEJSA-N	467.612	6.532	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)SC2=S)c1	409347720	NEEYTOIEJBWRJE-UDWIEESQSA-N	468.581	6.291	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(OCc4cccc5ccccc45)c3)SC2=S)cc1	409352180	WOJSGMLJWIETQY-OVVQPSECSA-N	496.657	6.891	10	40	JKCB	
COc1ccc2c3c(n(CCCCCc4nc5ccccc5[nH]4)c(=O)c2c1OC)-c1ccccc1C3=O	604405381	ZVPZUTFQHGTBOH-UHFFFAOYSA-N	493.563	5.519	10	40	JKCB	biogenic
CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1	3278339	XGMREZQIMZVAFN-UHFFFAOYSA-N	456.614	6.077	10	40	JKCB	
Cc1ccc(OCCn2c(C)c(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1C	8407977	FAJKHYITDQIHHM-IAWHSNBSSA-N	499.640	5.921	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C\c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc3)C(=O)N=C2S1	8495557	FUFNMDNNOQODPQ-ULXXZTOXSA-N	474.586	5.623	10	40	JKCB	
COC(=O)c1ccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4cccc(C)c4)cc3[C@@H]3C=CC[C@@H]32)cc1	8590000	WZTTWNGEAPTPCC-UMFSSWHCSA-N	474.582	5.409	10	40	JKCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1	8952496	PAHVCRICIMEKJL-UYRXBGFRSA-N	478.035	5.593	10	40	JKCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccn3CCOc3ccccc3Cl)C2=O)cc1	9076086	ILWTXUSDLMJJND-LFTLAFEGSA-N	491.975	5.400	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1Cl	9190979	QNXUVRJRWFMSGQ-BOPFTXTBSA-N	485.721	5.337	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9293452	SSPGACLAFKWQLC-UOSKESRZSA-N	474.417	6.066	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3cccc(OCCOc4cc(C)cc(C)c4)c3)C(=O)N=C2S1	9730677	DSCATZGYNXSFOU-YRKOIEFQSA-N	476.602	5.571	10	40	JKCB	
Cc1cc(C2=NN=C(Nc3ccc(SC(F)F)cc3)SC2)c(C)n1-c1ccc(F)cc1	13114638	KEQKAMPROKSFNZ-UHFFFAOYSA-N	460.550	6.467	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(=O)c1ccccc1	13602818	UWKFQFKIHMRLIF-BKUYFWCQSA-N	481.982	5.974	10	40	JKCB	
COc1ccc(CN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2c2ccccc2)cc1	20287876	VNRNOEFPUJGGNW-QJOMJCCJSA-N	454.555	5.120	10	40	JKCB	
O=C1/C(=C/c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)SC(=S)N1Cc1ccccc1	27527900	MCTFPFBGZHNDMY-KQWNVCNZSA-N	492.578	5.454	10	40	JKCB	
Cc1cc(C)cc(OCCn2cccc2/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)c1	27837648	VIYUXXZOZLHKEM-CLKZTBQTSA-N	483.597	5.160	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OCc1ccccc1	39986622	SLHLRAHEHISCKK-IWIPYMOSSA-N	461.608	6.297	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1	40867447	VXXICAHNLSJQSI-IWIPYMOSSA-N	477.607	5.997	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(F)cc1	58822061	DDZOUNRKUAFWSM-CIAFOILYSA-N	450.897	5.873	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1	59536530	UWOWNXRVKFQNKZ-UYRXBGFRSA-N	474.028	6.889	10	40	JKCB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(Cl)cc(Cl)c3O)C2=O)c(C)c1	102762147	CBAPORZLOWXHFY-QNWVGRARSA-N	483.351	5.367	10	40	JKCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2C)cc1	106684179	HOBGYKULUMFMQF-XKZIYDEJSA-N	480.973	5.771	10	40	JKCB	
O=C1/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc([N+](=O)[O-])c1	208666503	IJAUSSFGQPSCAI-ZDLGFXPLSA-N	487.902	5.822	10	40	JKCB	
Cc1cc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)c2C)c(C)c1	223313704	LFMIMTIRCCSWFZ-RWUBSVTLSA-N	474.674	5.566	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223350152	VCKTZYDEDSBNOQ-AZGAKELHSA-N	456.615	5.872	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c1C	223352980	HJJWUJQMJNVJNA-BDYUSTAISA-N	470.642	6.126	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)cc1	223534197	LSNLJCBCGRXKQS-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1F	224869113	APNREYPADFNAIG-DQEYMECFSA-N	493.007	6.164	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccccc2/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	408576637	QGVYZQSJQZUHKO-HMAPJEAMSA-N	478.570	5.557	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)cc2)cc1C	408804327	XPIRQJLSDFSKHS-CIAFOILYSA-N	495.362	5.856	10	40	JKCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3F)c(Cl)c2)C1=O	408873454	UHKVRRMHKZBPHN-VXLYETTFSA-N	483.326	5.698	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2F)C1=O	408888982	ADHVJBROUHVPTE-CPNJWEJPSA-N	464.880	5.033	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1	408901203	CAVBYFUCVYVLGR-CIAFOILYSA-N	467.352	6.387	10	40	JKCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408974513	ASEZZXSAMLZIIM-WSDLNYQXSA-N	494.809	7.456	10	40	JKCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C=C(c4ccccc4)N(c4ccc(C(=O)O)cc4)C3=O)o2)cc1	408985803	NJDXIBNHPNYEHK-HAVVHWLPSA-N	491.499	5.903	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(Cl)c3C)C2=O)cc1Br	408985931	OAJLHESMJLPSEV-XSFVSMFZSA-N	494.816	7.281	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)NC2=S)c1C	409147908	WLFAZBAQEBJZFD-HYARGMPZSA-N	457.599	5.159	10	40	JKCB	
O=[N+]([O-])c1ccccc1CN(/N=N/c1nonc1-c1ccccc1)c1nonc1-c1ccccc1	8424831	BFNJNMHKDDWXNV-RMLRFSFXSA-N	468.433	5.400	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	8819842	ISCAVNKNPQURSF-JWGURIENSA-N	468.644	5.712	10	40	JKCB	
Cc1ccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c3ccccc32)cc1	8914392	YHFWHRNYVXIROR-LFVJCYFKSA-N	483.524	5.514	10	40	JKCB	
CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	10232833	QPDSSHJJXVWYJS-KWZJRMENSA-N	487.546	5.373	10	40	JKCB	
O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	12600631	IZEJEZCEWOWRDW-HYARGMPZSA-N	499.569	5.308	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2CSc2ccc(Cl)cc2)ccc1O	13893292	UANXLJATAGSYCD-STZFKDTASA-N	464.974	6.023	10	40	JKCB	
CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc1Br	20032507	UZFNWFOEHPENRS-IHVOSJJMSA-N	498.402	5.246	10	40	JKCB	
O=C(c1cccs1)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35843244	NLQRIIFGZITTRC-PVHODMMVSA-N	487.580	6.064	10	40	JKCB	
Cc1ccc(OCCn2c(C)c(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c3ccccc32)cc1C	38203874	FAJKHYITDQIHHM-HGNJXLJLSA-N	499.640	5.921	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(F)cc1	59135089	UDRACGHNRUMJMR-VGOFMYFVSA-N	490.230	5.807	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c1C	59135329	XKXJEWOKBYHXRS-XDHOZWIPSA-N	451.885	5.066	10	40	JKCB	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2c(O)ccc3c(=O)c(-c4ccc(F)cc4)c(C(F)(F)F)oc23)C1	103895801	OKFUHZBKGQBILF-MRDQGFSESA-N	489.509	6.724	10	40	JKCB	
O=C1/C(=C\c2cc3c(cc2Br)OCO3)SC(=S)N1c1ccc(Cl)cc1	113830472	ZKAISLLJVZJZAU-GIDUJCDVSA-N	454.754	5.237	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1-c1cccc(F)c1	223857161	XRZYIDWSEBXJCC-RPBOFIJWSA-N	458.562	5.511	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(Cl)ccc3O)c2C)cc1	224197423	IVSBMJGAZQDEMO-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
COC(=O)c1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1C	224253591	QVHRHCQQIJWOGY-KAYWLYCHSA-N	496.636	5.761	10	40	JKCB	
Cc1cc(C)cc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403523	ZVEGFFREJLCNBH-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(Cc2ccccc2Cl)c1	408876913	RQAMJJGBKRVTJL-PXLXIMEGSA-N	474.944	5.223	10	40	JKCB	
O=C1/C(=C/c2ccc(Cl)cc2Cl)C=C(c2ccccc2)N1c1cccc(Br)c1	408984465	HLKBMCXDJIMYSR-GZTJUZNOSA-N	471.181	7.227	10	40	JKCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SCc2ccc(F)cc2)=N1	408989820	MGAPAOQXTKRTKO-RUZDIDTESA-N	474.605	5.738	10	40	JKCB	
O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(OCc2ccccc2Cl)cc1	409052421	HFSNOLIMEJSNCD-HKOYGPOVSA-N	480.947	7.693	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)C(=O)NC2=S)cc1	409235465	QFLQNFCVDLUIFW-JLPGSUDCSA-N	499.567	5.059	10	40	JKCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccncc4)c(OC)c3)SC2=S)cc1Cl	409328713	AGJLWWKQIVAAGM-WSDLNYQXSA-N	499.013	5.737	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)SC2=S)c1	409332261	PZWMMOZYJDRVHC-YZSQISJMSA-N	499.682	7.547	10	40	JKCB	
O=C1/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1c1cccc2ccccc12	409349771	WBSHMIBTCOECHA-PCLIKHOPSA-N	471.578	6.964	10	40	JKCB	
COC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)Nc3ccc(OC)cc32)S1	6077074	SKVTWJFBZMFZNG-XLNRJJMWSA-N	455.626	5.960	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S	8821278	KYBHMIKBSSUYAT-HAHDFKILSA-N	466.027	6.887	10	40	JKCB	
N=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(c3ccccc3Cl)=NN12	9136728	BQQRBPGUVCHDCX-YMINWEEVSA-N	477.889	5.176	10	40	JKCB	
Cc1cc(/C=C2\C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1	9274082	GKWYEHYDXZRWSF-MBVGAYPFSA-N	489.988	5.446	10	40	JKCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)O)c4ccccc4)C3=O)o2)cc1	12414309	AHACRWOJRGTGSO-URBQWANRSA-N	493.562	5.150	10	40	JKCB	
Cc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1	13757951	RHKOOZHNIQVXET-NDENLUEZSA-N	470.381	6.073	10	40	JKCB	
CCN1C(=O)c2ccc(-c3ccc(/C=C4\C(=O)N(c5cc(Cl)cc(Cl)c5)N=C4C)o3)cc2C1=O	15945257	VWUYJAFBLABKMI-NDENLUEZSA-N	494.334	5.675	10	40	JKCB	
Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)Nc4cc(Cl)ccc43)c3ccccc32)c1	20059493	UJTCRCPNSOTAOT-MFKUBSTISA-N	471.000	7.298	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N=C2SC(COc3ccccc3)=NN12	30738293	CZRKRJDGUGCFQT-BTGMWCQSSA-N	497.363	5.952	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1cccc(C)c1	33362752	OJIRMDHDNVQKAT-MSXFZWOLSA-N	491.590	5.717	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	33775808	SMJMSWKBHZAVKE-CXPHBSEKSA-N	495.395	5.463	10	40	JKCB	
CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)C(=N)N21	41077878	RFFKBGRSIADNJK-UUHKWMDLSA-N	498.939	6.337	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4cccc(Br)c4)C(=O)N=C3O)c2C)cc1	59198331	OXFZPHWFOWRJQC-MTJSOVHGSA-N	478.346	5.672	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	113834038	LMMCJJPXMUDFMI-HZHRSRAPSA-N	498.626	6.106	10	40	JKCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4F)C3=O)cc21	208218434	BLYRDQJWXVVBLZ-OFNOZLENSA-N	467.566	5.223	10	40	JKCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	222860492	IJKLOQSGULOMAM-VXKWHMMOSA-N	458.553	5.890	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	222971435	MZTNGCNRJZHZFP-DNQXCXABSA-N	453.055	6.224	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc2ccccc12	223457453	FLGSMJICUCGCLX-FQLXRVMXSA-N	489.648	6.210	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(Cl)ccc2C)c1C	223727960	LMKKECZNNPSMBS-DQEYMECFSA-N	497.064	5.377	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	224154323	ZHXINBZRMSLSRV-LOSJGSFVSA-N	492.570	6.685	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccc(F)c3)c2C)cc1C	224267514	BRFCGTIIHSPKML-SVBPBHIXSA-N	470.617	6.422	10	40	JKCB	
CCCCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	408540475	SGIIAOPZHXADTQ-CYVLTUHYSA-N	487.419	5.240	10	40	JKCB	
Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)S1	408803833	AWMDXRXZGOKIOP-UHFFFAOYSA-N	479.069	7.116	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(Br)cc3)C2=O)cc1	408987031	UWEUPEWVERXVRG-XDJHFCHBSA-N	480.789	6.973	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409047909	VDVWLHAMALMUCG-YRNVUSSQSA-N	497.763	6.010	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409336560	PNLZWXDOKLAIGH-QRVIBDJDSA-N	461.949	5.015	10	40	JKCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccccc5Br)c4C)c(=O)n3c2cc1C	409392716	NGNSUTFTWWUBNU-UUYOSTAYSA-N	478.415	5.244	10	40	JKCB	
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2	1062504	WWNZEBNZUMPJOU-WZOHSFFVSA-N	495.000	5.974	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1	1159951	UNPRGFXNJPTKIK-KUOTXRDYSA-N	491.638	5.237	10	40	JKCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)o1	2936420	JERBJOUAOFVBBW-WOJGMQOQSA-N	467.890	5.488	10	40	JKCB	
Cc1cc(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)n1-c1ccc(Br)cc1	3421487	LIJIPRMNOJNOCE-UHFFFAOYSA-N	487.703	5.573	10	40	JKCB	
CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=C3\C(=N)N4N=C(c5ccco5)SC4=NC3=O)c2)cc1	8495706	YGHXVXXJGKPDOA-RLUWANDJSA-N	498.564	5.464	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)cc1Cl	8743100	AKESIRWRQVCFEJ-ODLFYWEKSA-N	484.339	5.916	10	40	JKCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)Nc3c(C)cc(C)cc3C)C2=O)c1	8819163	ABAQFBSBHGTOQO-ZHZULCJRSA-N	454.617	5.241	10	40	JKCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)cc1	9076611	BREAUOGVGZBHEZ-WZGIJCTISA-N	469.585	5.891	10	40	JKCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)c1C	9193061	LEINYBVSYYRSSV-LUCDKTHESA-N	473.627	5.634	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	9704317	QASIAECIJICNDW-GRVPHDJPSA-N	476.063	6.532	10	40	JKCB	
CC1=CN2C(=N)/C(=C/c3cn(CCOc4ccc(Cl)c(C)c4)c4ccccc34)C(=O)N=C2S1	13806165	RGJUZMJYDHSKOO-UHQOKOQESA-N	476.989	5.849	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N(c2ccccc2)C1=S	15224909	UZGFFKHASGWCQP-JXAWBTAJSA-N	485.392	6.207	10	40	JKCB	
CCCN(CCC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc12	19793068	DJJFWDAHTCSAKW-UHFFFAOYSA-N	469.887	6.585	10	40	JKCB	
CCc1ccc(/N=N/C(Sc2nnc(-c3ccncc3)o2)=C(\O)c2ccc(OC(F)F)cc2)cc1	26532352	GZWRHKVEDLBEPW-MEHJSLHLSA-N	495.511	7.056	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1F	33561437	DCSFPCKYJQGHCH-NJIOILOSSA-N	477.609	6.213	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N(c3ccccc3)C2=O)cc1	59138987	DQEFXKBUXVFFIB-ZXVVBBHZSA-N	489.575	6.294	10	40	JKCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2)c1ccc(Cl)cc1Cl	102712387	JYBCTTGGQDFZBT-IMWIBFENSA-N	470.783	7.693	10	40	JKCB	
O=C(O)c1ccccc1/N=N/c1c(S(=O)(=O)O)cc2ccc(Nc3ccccc3)cc2c1O	103665053	WAMNFLXJMSWFES-OCEACIFDSA-N	463.471	5.649	10	40	JKCB	in-vitro
COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)SC2=S)cc1	113838838	PSEUHEHDOXYUKZ-MFKUBSTISA-N	470.619	6.412	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)c2C)cc1	223347811	LMTQTNXEFLULTE-DQEYMECFSA-N	458.587	5.263	10	40	JKCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1	223404919	WHBXIDIWFBKHMH-CLJLJLNGSA-N	454.599	5.362	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223761696	YCVDYWQBBALDFY-KAYWLYCHSA-N	484.625	5.683	10	40	JKCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223864996	QRKXKLAUDGBVFM-XTEPFMGCSA-N	482.653	6.243	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1C	224601129	ICXMJMCSUWMUQS-CLJLJLNGSA-N	454.599	5.680	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(=O)Nc3ccccc3)c2C)c1	225503521	FQEVALZBGGECHP-VSGBNLITSA-N	495.652	5.409	10	40	JKCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1c(C)nn(-c2ccc(C)cc2)c1C	408757752	QNCQWDLDCPCLQS-YBFXNURJSA-N	473.791	6.564	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3OCc3cccc(Cl)c3)C(=O)NC2=S)cc1	408817943	YWIHGKXPEXZEJW-FYJGNVAPSA-N	497.403	5.712	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cc3ccccc3F)c(Br)c2)C1=O	408881172	IILVAPCQWHEKNY-XDHOZWIPSA-N	493.332	5.154	10	40	JKCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O	408881947	LDHVOFOZJKYYCC-UQQQWYQISA-N	494.522	5.787	10	40	JKCB	
CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc4ccccc4c3)C2=O)cc1Br	408985048	KZTIBDSVQNHZGD-LFVJCYFKSA-N	496.404	7.472	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)ccc1I	409022095	DXCLATRGNCMGEB-ZDLGFXPLSA-N	480.371	5.452	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	409057716	HVDLAVKKUOFYRW-QFEZKATASA-N	489.015	6.550	10	40	JKCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S	409094779	GDVOZTMIZMMVOQ-LFIBNONCSA-N	457.338	5.393	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)SC2=S)c1	409329013	CBUKKUBOANKTJL-CFRMEGHHSA-N	490.650	6.956	10	40	JKCB	
CCOc1cc(Br)c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC	409349290	VIUBMIIQERVTAU-CAOOACKPSA-N	468.369	5.401	10	40	JKCB	
Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	654916	PGTBUAQDEGUHAG-UFFVCSGVSA-N	456.329	6.001	10	40	JKCB	
O=S(=O)(Nc1cc(Sc2nc3ccccc3s2)c(O)c2ccccc12)c1cccs1	3259390	NQECJTBMNZSCAY-UHFFFAOYSA-N	470.622	6.169	10	40	JKCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3Cl)SC2=S)cc1	8821281	JBTKPVLRVVSXGZ-UCQKPKSFSA-N	480.010	6.527	10	40	JKCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)SC2=S)cc1	8821433	SBOIGUWDQVJQTD-FYJGNVAPSA-N	490.433	6.706	10	40	JKCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccc(F)c(Cl)c2)C1=O)=C\c1ccccc1	8833880	BLOMQJIWESEZOH-QIROLCGISA-N	475.010	6.046	10	40	JKCB	
O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O	8916209	YMVBINWVSBZXPJ-JEIPZWNWSA-N	496.526	7.308	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OCCCOc1ccc(C(C)(C)C)cc1	9136919	HQQBDSYGLZNBFB-HKOYGPOVSA-N	499.698	6.452	10	40	JKCB	
O=C1/C(=C\c2c3ccccc3cc3ccccc23)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	9233704	FNCGHJVOFPGSJZ-DHRITJCHSA-N	498.673	6.442	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1Cl	9455956	NHTWIAFSRPONTO-UUYOSTAYSA-N	487.918	5.457	10	40	JKCB	
CC[C@H](C)c1ccc(OCCOc2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)cc2)cc1	12285145	VVQUELCMYNAMBW-OJQDQQHHSA-N	454.570	6.464	10	40	JKCB	
CCN(CC)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)cc1	16678559	XBPOQXGBMONWHE-UHFFFAOYSA-N	471.601	6.656	10	40	JKCB	
Cc1cc(C(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(C)n1-c1ccccc1F	25396658	DMQJYOSYTFBWFW-UHFFFAOYSA-N	481.527	5.920	10	40	JKCB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC1=S	27018214	YUMYMWZPQVUMGK-NDENLUEZSA-N	498.471	6.159	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)ccc1OCc1ccccc1F	59135915	ZHFOLZJVEXOUGW-SFQUDFHCSA-N	480.492	5.224	10	40	JKCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OCc1ccc(Cl)cc1	59418251	GJQNVGVYLKRJGU-WSDLNYQXSA-N	485.989	6.473	10	40	JKCB	
Cc1ccc(Cn2cc(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c3ccccc32)cc1	96585248	VOPUIWRZARIJCG-OEAKJJBVSA-N	469.928	6.158	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	100233064	RGHWUJHIYWJOCZ-CIAFOILYSA-N	477.904	5.642	10	40	JKCB	
Cc1cc2c(cc1C)N[C@H](c1cc(/N=N/c3ccccc3)ccc1O)C1=C(O)CC(C)(C)CC1=N2	102526885	KBNLCSMEEQIDFG-JFQZWHKDSA-N	466.585	8.296	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)C1=O	208241780	ASEQQBATNXNECM-LZNAANCOSA-N	451.954	5.037	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)c2C)c1	223462513	MTAOZMHFQMGBQO-UIOOFZCWSA-N	469.614	5.065	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccc(F)cc1	223496358	JPBSFVWJBDNQNG-DQEYMECFSA-N	457.578	5.196	10	40	JKCB	
Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)c2C)c1C	223540214	XJTZDGINZKPRGY-KAYWLYCHSA-N	467.642	5.674	10	40	JKCB	
COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2c(C)cccc2C)c1C	223726654	HHYRYWBZUIKNIH-AZGAKELHSA-N	476.646	5.032	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223856354	RFLAKRKMMRYPPI-KAYWLYCHSA-N	468.626	5.934	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223863302	LLUMTUATTPOJLQ-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)cc1	224168925	NDBLIUJVVUVBNH-FQLXRVMXSA-N	495.696	6.512	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3Cl)c2C)cc1	224203109	FJLGIPOVEVWBPY-UIOOFZCWSA-N	473.045	6.628	10	40	JKCB	
Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1	224303974	ULAQSXYNUOGALG-FQLXRVMXSA-N	495.696	6.349	10	40	JKCB	
O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1ccc(F)cc1	408576140	PVHCIIARNARQEC-BKUYFWCQSA-N	482.533	5.388	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(Cl)cc2)cc1	408765115	KGDJOEOYGGNYPX-PXLXIMEGSA-N	481.777	6.336	10	40	JKCB	
O=C(Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccc2ccccc2c1	408976965	UCERQAJFOVRGHL-UHFFFAOYSA-N	450.497	7.462	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)NC2=S)c1	409021273	ZUEMDTTVGOLWDP-ZVHZXABRSA-N	457.599	5.159	10	40	JKCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)S1	409026829	ZECZTEKRRZMKKX-MTJSOVHGSA-N	481.371	5.288	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cc(C)n(-c2cc(C)ccc2OC)c1C	409058574	YWWGWCXCWZFDSE-JLPGSUDCSA-N	470.569	5.597	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)c2ccccc21	409207599	YINRFMONIZVXCC-RCCKNPSSSA-N	460.599	5.728	10	40	JKCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc(Br)cc2)C1=O	409329947	IGQBUDKWDYTBMB-XDHOZWIPSA-N	456.386	6.017	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1cccc(C)c1	3768650	WJMFZHVZMFUHFA-HZHRSRAPSA-N	490.606	5.129	10	40	JKCB	
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	8768131	CPYSTYJMMMCSAZ-YMLLVQOGSA-N	496.702	5.019	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cc4ccccc4Cl)ccc2O)N3)C1	8920866	CQFPCSCNSZUBJN-BVZFJXPGSA-N	495.088	7.668	10	40	JKCB	
O=C1/C(=C\c2cccs2)SC(=S)N1CC(=O)N(Cc1ccccc1)c1ccccc1	9444390	WQLCHOVVCBMUTO-XSFVSMFZSA-N	450.610	5.183	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)cc1	9892612	NEJGFAQPDFTSAM-MFKUBSTISA-N	470.573	5.057	10	40	JKCB	
C=CCOc1ccc(/C=C2\C(=O)N(c3cccc4ccccc34)C(C)=C2C(=O)OC)cc1OC	9973128	YWTBMXVKNBQLOP-JWGURIENSA-N	455.510	5.290	10	40	JKCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@@H]21	12468738	HJWIDERNYPGKRI-PJIJBLCYSA-N	461.312	5.210	10	40	JKCB	
COC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c1	12525771	ITDZKVYLOYOMHD-UHFFFAOYSA-N	462.599	5.188	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)ccc1OCC(C)C	12579809	HCQRCOCRORSYIE-ODLFYWEKSA-N	471.629	5.568	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccc(C)cc4)cc3)C(=O)N=C2S1	13940554	VLFMILMNOOYTQW-BRDBGPSPSA-N	462.575	5.262	10	40	JKCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN3C[C@H](C)O[C@@H](C)C3)c(O)ccc2c1=O	19793162	QSIZQPJHUOIPMR-GJZGRUSLSA-N	493.478	5.318	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)C(O)=NC2=S)c1	20146282	QFSJAMUAFAQLGX-BKUYFWCQSA-N	473.554	5.081	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1	26593235	SGGPJJSBRYEYSI-JLPGSUDCSA-N	461.608	6.379	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(Cl)c1OCc1ccc(C)cc1	33524876	AWIOPTDJLZQNOG-HAHDFKILSA-N	479.001	6.709	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[C@H]2C=CC[C@H]21	58847244	DBWAQUVHXLWSLK-ATLLOTDBSA-N	466.990	5.976	10	40	JKCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccc(Br)cc4)c3C)N21	222698585	BANQDBWMQSLWRA-YFXJRYMSSA-N	481.463	6.231	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1	224208164	GTYCZQWDILHJQF-RRPNLBNLSA-N	496.636	5.981	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	224334999	HVJQRZVKENYRKF-URLMMPGGSA-N	480.681	6.791	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)nc1	224875483	RTERPSJKPRWJQY-RPBOFIJWSA-N	490.032	5.729	10	40	JKCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)cc21	260772403	NMDWFJLAMXJMRM-PKTZIBPZSA-N	455.071	5.995	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1	408766039	OCPFGJZTOIHPBK-LFVJCYFKSA-N	487.784	7.090	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1	408897223	IJXQQAMBZFARFC-XDHOZWIPSA-N	452.919	5.367	10	40	JKCB	
O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	408942580	ZLCMLEBAEYWJMR-UNOMPAQXSA-N	467.308	5.239	10	40	JKCB	
C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	409000073	DOIDRFNGHQHKKZ-UKINRTKHSA-N	462.553	6.377	10	40	JKCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(c2ccccc2)C1=S	409019852	YPUVRWMYJKTPAI-RGEXLXHISA-N	485.392	6.207	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4C)C3=O)c2C)c(C)c1	409240282	GFBSGCJXECQCFT-DEDYPNTBSA-N	461.949	5.339	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)SC2=S)c1	409335254	ZUHBAZLPNOKVDK-CIAFOILYSA-N	471.072	6.875	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc5ccccc5c4)cc3)SC2=S)cc1	409341951	CYCIUAJDAYIFSH-YZSQISJMSA-N	467.615	7.133	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1)c(O)c1ccccc12	1448591	BYQPNCYULPUMDD-RUZDIDTESA-N	493.003	5.767	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	8744378	SJCWCGHRQAFWTB-DSBLIHRRSA-N	464.551	5.120	10	40	JKCB	
CCCCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)SC2=S)cc1	8821377	UVGCFGVITUMPAV-UQQQWYQISA-N	494.081	7.667	10	40	JKCB	
CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)cc(OC)c2O)N3)C1	8919551	UMEJCPPRYYOLTQ-JEOXALJRSA-N	479.440	6.195	10	40	JKCB	
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)cc(Cl)c2O)N3)C1	8919681	FYBLDXNUJIOTPI-MGNBDDOMSA-N	483.859	6.840	10	40	JKCB	
CCN(CCO)c1ccc(N2C(=O)N=C(O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1	8997275	XMXVKPZOLGNJED-ITYLOYPMSA-N	479.536	5.318	10	40	JKCB	
CC[C@@H](C)c1ccc(OCCCn2cc(/C=C3\C(=N)N4C=CSC4=NC3=O)c3ccccc32)cc1	9680337	JABYGBBEXBTTIJ-CTAXILQPSA-N	484.625	6.401	10	40	JKCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc(Br)c(OC)c(OC)c1)[C@@H]1CC=C[C@H]21	9763319	HJWIDERNYPGKRI-IQUTYRLHSA-N	461.312	5.210	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(Cl)c4Cl)C(=S)N=C3O)o2)cc1	17056236	DUDXZYLGXTZTGT-UVTDQMKNSA-N	487.320	5.623	10	40	JKCB	
COc1ccc(Cc2nnc(SC(/N=N/c3ccc([N+](=O)[O-])cc3)=C(/O)c3ccccc3)o2)cc1	22079593	PXUQNZLDQXFSTA-CZIABVEASA-N	489.513	6.338	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCCOc1ccc(Br)cc1	32109499	GBNBMHNBNKQYFE-UYRXBGFRSA-N	494.432	5.137	10	40	JKCB	
N=C1/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N=C2SC=C(c3ccccc3)N12	32518589	DJPBSKYZNHLQEO-BTGMWCQSSA-N	466.349	6.558	10	40	JKCB	
Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC(C)C)cc1)N2	58845769	PQINIKZDCWDGMC-VYKTZEHYSA-N	474.626	6.410	10	40	JKCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CC=C[C@@H]21	58928828	QXQZRZHENFMGIY-YDIMBITNSA-N	476.370	6.553	10	40	JKCB	
CCOc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F	59418174	CNACKQPFKYHHTL-HZHRSRAPSA-N	471.619	6.337	10	40	JKCB	
Cc1cc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)c2C)ccc1Br	205738568	CZUOYKUYJQMNHG-VXLYETTFSA-N	491.407	5.153	10	40	JKCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223386323	IMHXHPDTLZQKEC-KAYWLYCHSA-N	468.626	5.670	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1-c1ccccc1F	223495682	BIDOEWPTDWQFRC-JWQCQUIFSA-N	457.578	5.196	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	224335945	CMRKNYACTIRVAE-RRPNLBNLSA-N	487.072	6.882	10	40	JKCB	
CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	224339054	UYDBVZBPDZRNEQ-VMPREFPWSA-N	480.681	6.845	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)c2C)c1	224403159	UNFCJIHXNDHLDC-SXOMAYOGSA-N	470.617	6.422	10	40	JKCB	
O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(I)cc1	226855426	IYNFGWLFOFFJHP-QZQOTICOSA-N	463.300	5.507	10	40	JKCB	
CCc1ccccc1NC(=O)COc1cccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	408578142	VZVQVHVDZPKDDF-KQWNVCNZSA-N	474.607	5.672	10	40	JKCB	
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cc1	408771130	DGXLFZVPLXCQAX-CJLVFECKSA-N	454.482	5.551	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3ccc(F)cc3)C2=O)c(C)c1	408808004	LZSYFIRGQXXFTQ-FYJGNVAPSA-N	478.907	5.341	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c1C	408821323	GFQUGVGRUUXJJB-YBFXNURJSA-N	481.980	5.335	10	40	JKCB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2C)cc1	409129332	RONFYHKNCFIYFU-PZLPMSIKSA-N	498.670	5.431	10	40	JKCB	
O=C1[C@@H](Cc2ccc(OCc3ccc(F)cc3)cc2)SC(=S)N1Cc1ccc(F)cc1	409143375	DUAYIPWFLCFMPA-JOCHJYFZSA-N	455.551	5.515	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2ccccc21	409206710	VZSKQVCGZMBTGB-XIEYBQDHSA-N	461.565	5.528	10	40	JKCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)c2ccccc21	409207299	RLUIEWQVYIFBQC-NHFJDJAPSA-N	464.609	6.925	10	40	JKCB	
Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)C2=O)c1	409229792	VCIBHRIMBDUFBT-SSDVNMTOSA-N	498.808	5.911	10	40	JKCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)cc2)cc1	409236378	FLOWOKRPIBCZMP-HZHRSRAPSA-N	458.608	5.594	10	40	JKCB	
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C)c3ccc(C)cc32)S1	2185903	LXELBZWTAWBULP-CLCOLTQESA-N	467.681	6.674	10	40	JKCB	
CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O	5085298	YIPFOGRREFYOCL-UHFFFAOYSA-N	492.557	5.523	10	40	JKCB	
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C(=O)N(c2ccccc2)C1=S	8451347	YWTBQQPAZCJUHP-JJIBRWJFSA-N	473.598	5.056	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)SC2=S)cc1	9232408	YYKHZRZPNMSXQN-CPNJWEJPSA-N	473.044	6.556	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccccc4)SC3=NC2=O)c(C)n1-c1ccccc1Cl	9308946	LVXGPHLBSORECE-MFTVFGMVSA-N	459.962	5.415	10	40	JKCB	
O=c1oc(-c2ccc(/N=N/c3ccc(-c4nc5ccccc5c(=O)o4)cc3)cc2)nc2ccccc12	13616064	DRVMZEVCFMFTPY-QNEJGDQOSA-N	472.460	6.439	10	40	JKCB	
O=C(O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4cccc(F)c4)C(=S)N=C3O)o2)cc1Cl	17198257	NFFKVHGPTWBMKQ-YBEGLDIGSA-N	470.865	5.109	10	40	JKCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@H]4c4cccnc4)c3oc2=O)cc1OC	20762283	PEUFLPNSKMVHRY-QHCPKHFHSA-N	472.541	5.305	10	40	JKCB	biogenic
COc1ccc(N2CCN(CC(=O)c3c(C)n(Cc4ccccc4)c4ccc(OC)cc34)C[C@H]2C)cc1	34782896	QAXJCJQTWUDTPV-JOCHJYFZSA-N	497.639	5.409	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S	35040065	NZNWEKIQWSPVGJ-KOEQRZSOSA-N	497.645	6.516	10	40	JKCB	
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc2c(c1O)CN([C@H](CCC(=O)O)C(=O)O)C2=O	36378942	LTEYADKCUWEHSA-GTKYNLLOSA-N	499.604	5.333	10	40	JKCB	biogenic,in-vitro
COc1ccc(-c2cc(C(F)F)nc(N[C@H](C)c3ccc(N4CCOCC4)cc3)n2)cc1OC	36618661	GWUHFFLUXSTFMP-MRXNPFEDSA-N	470.520	5.108	10	40	JKCB	
Cc1c(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c2ccccc2n1Cc1ccccc1	41076291	CGZZFJBPHMHARU-PHLVQQIWSA-N	467.476	5.179	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccc(Cl)c(C(=O)O)c4)N=C3C)c2C)cc1	59639189	KONZHMUELXESDD-MTJSOVHGSA-N	463.921	5.260	10	40	JKCB	
O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1cccc2ccccc12	113838407	BEOFFNZNWYWMPF-PXLXIMEGSA-N	457.536	5.945	10	40	JKCB	
CCN(CC)c1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)cc1	222923546	JZGHPIMMQAXZQZ-SVBPBHIXSA-N	475.706	5.964	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)c(C)n1-c1cccc2ccccc12	223222432	KKJGIZKWTVMVDL-VSGBNLITSA-N	483.685	5.567	10	40	JKCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)cc1	223386690	VTAWPDZSNPUNNF-RRPNLBNLSA-N	468.626	5.670	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\C(=O)NC(=O)N(c4cc(C)cc(C)c4)C3=O)cc21	223483607	ZQTAIDAAMSMMBO-OEAKJJBVSA-N	457.574	5.380	10	40	JKCB	
Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1C	223494088	ZIURYGVNUGAVMQ-CLJLJLNGSA-N	453.615	5.365	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cccc(C)c3)c2C)c1	224253491	MFVWTUMRPZKSNG-RRPNLBNLSA-N	496.636	5.761	10	40	JKCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)c2C)cc1	224868374	WIYPKZCDRHGQJT-IZZNHLLZSA-N	489.044	6.334	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	225006618	ZQYDOFYZXCUPPV-RPWUZVMVSA-N	484.591	6.423	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Br)c1	225016195	LUACHVLJCQJQCP-RPWUZVMVSA-N	495.490	6.167	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)c2C)c1	225031296	BLQRAWBVIYZFKU-JWQCQUIFSA-N	474.630	5.191	10	40	JKCB	
C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1	225587085	KLFNXOAMRCSMFZ-UXHICEINSA-N	472.048	5.805	10	40	JKCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)C1=O	260562614	ASEQQBATNXNECM-CLXYIWAZSA-N	451.954	5.037	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3cccc(Cl)c3Cl)C2=O)cc1	408752348	HXQMXJICLGDRAF-LGMDPLHJSA-N	456.756	7.127	10	40	JKCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3Br)N(c3ccc(OC)cc3)C2=O)cc1	408756362	USNQADDNFNERSO-XQNSMLJCSA-N	477.358	5.691	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(Br)c3)C2=O)cc1	408760667	CPGWAYBPUFHGAN-FYJGNVAPSA-N	479.305	5.209	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1OC	408765671	ZJOZFJQRYFNWEW-GZTJUZNOSA-N	477.900	5.232	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2sc3ccccc3c2Cl)cc1	408765678	NDRNJKQHTMYUAW-RCCKNPSSSA-N	476.960	6.927	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Cc1cc(C)cc(C)c1	408865853	GAUXLJXOSAUGGL-OEAKJJBVSA-N	474.944	5.223	10	40	JKCB	
CN1C(=O)C(=Cc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)C(=O)N(C)C1=S	408904382	IPYAKUAONJLBQC-UHFFFAOYSA-N	485.392	5.324	10	40	JKCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409057290	VORFVMAZMSCJOA-MYYYXRDXSA-N	458.533	5.414	10	40	JKCB	
COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	409129442	GDBLQPISKPQGIA-OQLNFPPLSA-N	494.638	5.109	10	40	JKCB	
Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21	409133214	MYKNNESQZWWLHL-JAIQZWGSSA-N	487.444	5.622	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1OCc1ccccc1	409206763	XLDCEVUPULJVHR-HMAPJEAMSA-N	499.057	6.273	10	40	JKCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c2ccccc12	409245851	ZWVVAKBMERLKCJ-KGENOOAVSA-N	495.526	5.290	10	40	JKCB	
O=C1/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC(=S)N1Cc1ccccc1	409338976	CSNOBTWVOYUHOS-YVLHZVERSA-N	457.939	5.463	10	40	JKCB	
CC(C)(C)c1ccc(Oc2c(NC(=O)c3ccccc3)ccc3c2C(=O)c2ccccc2C3=O)cc1	8694291	CALVXMPXNLQKCZ-UHFFFAOYSA-N	475.544	6.804	10	40	JKCB	
Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN21	8809463	XPBWURPOHQGIJK-ZEQKJWHPSA-N	495.793	7.748	10	40	JKCB	
O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	8821461	UCZPHKNZZDQCPM-XDHOZWIPSA-N	489.405	5.729	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=S)NC2=O)cc1OC	8984446	DBCPPYLKIUPANR-DABDWFRDSA-N	478.035	5.809	10	40	JKCB	
COc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1	9076541	OPHHBYXBFLPOJE-GMQQYTKMSA-N	491.587	5.744	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(Oc4nc(Cl)ncc4F)c3)SC2=S)cc1	9232347	FBDFLUJNQCOLQG-WOJGMQOQSA-N	487.965	5.866	10	40	JKCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)C(=O)N=C2S1	9471644	BYGQFWAELZJYNW-VZHDZHPESA-N	490.032	6.398	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=O)cc1	9659535	IMRORCXGUSGRQW-XHPQRKPJSA-N	498.579	5.417	10	40	JKCB	
O=C(Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1cccc(Oc2ccccc2)c1	12498513	QNQISLIFWWMRBH-UHFFFAOYSA-N	453.881	6.160	10	40	JKCB	
COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2	13361786	FGEICFJXYMMLJN-ANSQWYIGSA-N	491.569	5.539	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1	13940428	YHHHHLQUDFFIGB-UYRXBGFRSA-N	464.008	5.336	10	40	JKCB	
CCN(Cc1ccccc1)Cc1c(O)ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc12	19793056	UVTHYCTVTXUZAC-UHFFFAOYSA-N	483.486	6.640	10	40	JKCB	
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1Cl)N1CCOCC1)c(O)c1ccccc12	23224626	FYLSIXQOIAVQKT-XMMPIXPASA-N	479.960	5.852	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-]	58847167	GYOCNQCPXVLSDJ-WZOHSFFVSA-N	495.532	5.370	10	40	JKCB	
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2Cl)N3)cc1OC	58849505	RROPIQRVMGSBCG-ANSQWYIGSA-N	497.016	5.985	10	40	JKCB	
COc1ccccc1[C@H]1Nc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2[C@H]2C=CC[C@H]21	58849880	IHLAFYYJFNROBK-DFIYOIEZSA-N	476.554	5.021	10	40	JKCB	
O=C1N=C(O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	59138536	NBFMPKIUAOZBBN-ZVHZXABRSA-N	485.584	5.854	10	40	JKCB	
COc1cc(/C=C2/SC(Nc3ccccc3C)=NC2=O)ccc1OC(=O)c1ccc(F)cc1	97990651	UEHRNZZDGWKFPT-HYARGMPZSA-N	462.502	5.444	10	40	JKCB	
NC(=S)n1nc(-c2ccccc2)c(/N=N\c2cccc(Cl)c2Cl)c1-c1ccccc1	104225348	LCQQGFHDZOIIRE-RQZHXJHFSA-N	452.370	7.031	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)c2C)c1	223121542	WTQIYQZAAWYFIY-CLJLJLNGSA-N	488.657	5.581	10	40	JKCB	
CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(N(C)C)cc3)cc21	223886135	OHLNAXPUEHMZIB-KAYWLYCHSA-N	483.685	5.956	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(F)cc3)c2C)c1	224531505	LJCBLOPRFQAEMT-IZZNHLLZSA-N	472.589	5.814	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccc(N(C)C)cc1	225017774	FNJYDBMETCLBRU-UIOOFZCWSA-N	459.663	5.470	10	40	JKCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	225018082	DPMXDPURBIZYDH-BJKOFHAPSA-N	485.484	6.711	10	40	JKCB	
CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NC(=O)Nc1ccc(C)c(C)c1	408534628	WFODRBRJFRDKND-PKAZHMFMSA-N	482.628	6.199	10	40	JKCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1	408741624	RDLSRZFIKVQZBV-ITYLOYPMSA-N	461.521	5.428	10	40	JKCB	
COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccccc3C(C)C)C2=O)cc1OC	408763764	QRSOGDNNNGASEI-RCCKNPSSSA-N	459.973	6.952	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)C2=O)c1	408810550	UBSBQXHWJDDJQF-CPNJWEJPSA-N	481.335	5.547	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)cc1	408810674	JKLSSRSATLEJHW-HYARGMPZSA-N	495.362	5.801	10	40	JKCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(Cl)cc1	408901009	BMLGFHHZYDGPNA-LPYMAVHISA-N	481.379	6.777	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1	408902180	LLGGMKHPGGCAJY-CIAFOILYSA-N	476.916	5.432	10	40	JKCB	
CCCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	409044311	BUOQZJQOZZKOFY-OVCLIPMQSA-N	453.709	5.102	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC(C)C	409063846	AEHSFLOXROFPSR-KPKJPENVSA-N	483.735	5.109	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCC	409349971	WQBNAQMTRBUZAB-BOPFTXTBSA-N	482.396	5.791	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)NC2=S)cc1	409378997	UBWYAJTZAMVGGE-PXLXIMEGSA-N	476.985	5.313	10	40	JKCB	
COCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C	2075973	JVPHZVQCWBOAKU-UNOMPAQXSA-N	477.388	5.110	10	40	JKCB	
O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C\c1ccccc1Cl	2195603	DLGDWVXARIJEEC-PDGQHHTCSA-N	451.901	5.151	10	40	JKCB	
CC(=O)Nc1ccc(/N=N/c2c(/N=N/c3ccccc3)ccc3cc(S(=O)(=O)O)ccc23)cc1	3844585	PHQOKFQANLDGHZ-TUUFZWAFSA-N	473.514	6.876	10	40	JKCB	
CCN(CC)CC[C@@H](CNc1c2ccc(Cl)cc2nc2ccc(OC)cc12)c1ccccc1	4416436	MZKUHPSACPVODL-NRFANRHFSA-N	462.037	6.978	10	40	JKCB	
CCCCOC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1Cl	8430285	ZIUITFCQIKSDKL-UYRXBGFRSA-N	490.785	5.778	10	40	JKCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1	8819770	UJSCMQDURGCSNT-MOSHPQCFSA-N	485.587	5.009	10	40	JKCB	
Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	9188540	RPTQYJYMCGADQL-UUYOSTAYSA-N	486.445	7.287	10	40	JKCB	
N=C1/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C(=O)N=C2SC=CN12	13881181	TVWYVTGMDLJQKT-OLKKAHHKSA-N	474.767	5.458	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	13942862	JRAGRHMEDBXQRX-STZFKDTASA-N	492.534	5.228	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(OCCOc4cc(C)cc(C)c4)cc3)C(=O)N=C2S1	27549268	CJXRMNQNKNZHJE-YRKOIEFQSA-N	476.602	5.571	10	40	JKCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)o1	33436861	RBCCFAGLXMZUEN-ODLFYWEKSA-N	472.931	5.923	10	40	JKCB	
Cc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	34688562	HBXMJSZPFJIMSK-MOSHPQCFSA-N	477.611	5.815	10	40	JKCB	
Cc1ccc(-c2ccc(/C=C3\SC(N4CCN(c5ccccc5F)CC4)=NC3=O)o2)c([N+](=O)[O-])c1	35043104	SYGUASFJZCSQSK-HAHDFKILSA-N	492.532	5.095	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)ccc1OCc1ccc(F)cc1	59861092	XXOYDXKEKZKTJI-FYJGNVAPSA-N	474.488	5.537	10	40	JKCB	
CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CN=[N+]=[N-])[C@@H]3c2ccc(OCC)cc2)cc1	97965269	LYYLCDGJQSYBOM-VLSXBJNMSA-N	459.550	5.917	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)cc1	102873247	HBRIMKMFLDBAPG-PBBNMVCDSA-N	455.577	7.301	10	40	JKCB	
Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Br)cc1	108935277	CGCFXRIJPOVBGW-ODLFYWEKSA-N	497.776	5.451	10	40	JKCB	
COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(Cl)c2)c1C	223053686	ADBCSOMOICARKO-XZOQPEGZSA-N	455.027	5.152	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1-c1cc(Cl)ccc1O	223529087	WIEKLFZYCFHRQH-DQEYMECFSA-N	490.032	5.416	10	40	JKCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1-c1ccccc1	224011295	QYCICXJWPRUGDE-CLJLJLNGSA-N	468.582	5.395	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2	224403710	LHNGYHBAMHRDGA-FTJBHMTQSA-N	486.572	5.534	10	40	JKCB	
COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3)c2C)c1	224529532	SREJTFURMCTCFI-FTJBHMTQSA-N	454.599	5.675	10	40	JKCB	
Cc1ccc(C)c(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)c2C)c1	224606930	RPLBPHZEYIHOSO-RRPNLBNLSA-N	468.626	5.989	10	40	JKCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C	225349299	XZAAEINGCMWKBA-RRPNLBNLSA-N	497.668	6.157	10	40	JKCB	
Cc1cccc(C)c1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O	408571220	AIOJEPATHXXVKK-HMAPJEAMSA-N	492.597	5.866	10	40	JKCB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	408571803	COUIWXSHHQAEHC-HMAPJEAMSA-N	495.025	6.072	10	40	JKCB	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)CC1=O	408637589	ANTBLFWTYQKAHI-IBGZPJMESA-N	486.955	6.286	10	40	JKCB	
O=C1/C(=C\c2ccc(Cl)cc2Cl)N=C(c2ccccc2)N1c1ccc(Br)cc1	408765163	ZVRBLGJYHROXTP-UDWIEESQSA-N	472.169	6.590	10	40	JKCB	
Cc1ccc2ccccc2c1COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408802605	ZIFLVXUIDCFVBN-PCLIKHOPSA-N	496.950	6.047	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408903094	ULQFYZQZVJLXTI-RGVLZGJSSA-N	471.771	7.032	10	40	JKCB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	408903372	RWWQRSFVPAQFRR-HBBMIWKISA-N	493.357	5.446	10	40	JKCB	
Cc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c2ccccc2n1Cc1ccccc1	409182507	LYWFGSUWRCXRIA-OYKKKHCWSA-N	493.028	7.196	10	40	JKCB	
CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(Cl)cc3)N2[C@@H]1c1ccc(N(C)C)cc1	409337876	YORUPPVMXDNOQX-JOCHJYFZSA-N	453.995	5.701	10	40	JKCB	
O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc(Br)c(Cl)c1	409346642	NVSVJNHXTNORTO-MKMNVTDBSA-N	461.189	5.867	10	40	JKCB	
O=C(NN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S)c1cccs1	409349764	WFHXJDZEDHVFDP-XDHOZWIPSA-N	470.572	5.012	10	40	JKCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1	8763478	KBYPKSBGRPLKIC-HKWRFOASSA-N	497.667	5.705	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ncc(Cc2ccccc2)s1	8819256	CYFHPWKXZHYURR-CPNJWEJPSA-N	483.615	5.103	10	40	JKCB	
CC[C@H](C)c1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)NC1=O	9144520	PRILKHFSIKOYED-JFENUBAZSA-N	482.454	6.454	10	40	JKCB	
COc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccccc4C)SC3=NC2=O)c1C	9293360	OMUALDXSMNVTRB-VTGHKQSHSA-N	469.570	5.079	10	40	JKCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C=C1c1ccccc1	9311280	VHMYIWWFUPBXGH-HEHNFIMWSA-N	498.376	7.189	10	40	JKCB	
FC(F)(F)c1cccc2c1N[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)[C@H]1CC=C[C@@H]21	14186365	GSDCUCIAFVJDAG-DPLHUUCSSA-N	455.907	7.764	10	40	JKCB	
O=C1/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)c2ccccc2N1c1ccccc1	20059429	IWDUASFDFRVMFL-LHLOQNFPSA-N	490.990	7.593	10	40	JKCB	
C/C(NCCc1c[nH]c2ccc(F)cc12)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	20288158	FAGVIMMGQMZOAL-UQQQWYQISA-N	495.583	5.774	10	40	JKCB	
CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1	20289106	NDTUJSYMIUJZAL-BWAHOGKJSA-N	457.530	5.240	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=O)N=C2S1	33792684	HSJVAWIELDZGRL-HXXASUHCSA-N	487.551	6.312	10	40	JKCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1	33908970	JGLRDJZKRWPPLC-UYRXBGFRSA-N	460.397	5.401	10	40	JKCB	
O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1	35395035	PNNXPMHMJBRNSP-BKUYFWCQSA-N	483.362	6.250	10	40	JKCB	
COc1cccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C(C)C)cc4)cc3[C@H]3C=CC[C@H]32)c1	58846804	XXNVGWUFNSMVJU-BXTSTYNKSA-N	474.626	6.446	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)c(C)n1-c1ccccc1	107863967	HINQCXGVCFBPNF-SRZZPIQSSA-N	467.497	5.047	10	40	JKCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2Br)c1C	222965467	SICIRBPHZLNGRL-DHIUTWEWSA-N	483.479	6.024	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)c2C)c1	224187602	CSPIZASVHAFYBE-UIOOFZCWSA-N	482.609	5.453	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C2=O)cc1	408740273	JSEBSRFYNMSAKL-CIAFOILYSA-N	497.334	5.247	10	40	JKCB	
Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1	408771023	DKDNTGJGIMKUDS-CIAFOILYSA-N	483.387	5.760	10	40	JKCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)c1	408803916	USMRVTKXHTUOGI-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	408874455	BVIYXVFRZQOMBK-NHDPSOOVSA-N	457.382	6.637	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1	408901502	GFKRIKSMZSULLF-HYARGMPZSA-N	451.544	5.819	10	40	JKCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)C2=O)c1C	408938421	QKIULQBKZGUVKC-HMAPJEAMSA-N	460.917	5.202	10	40	JKCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	409061432	XBLGHUTYMPXXTH-QRVIBDJDSA-N	495.406	6.587	10	40	JKCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccc(Cl)c4Cl)C3=O)c2C)c1C	409066545	LNWFAVBMJXXJAF-LDADJPATSA-N	482.367	5.684	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccccc4)C3=O)cn(Cc3ccccc3)c12	409148050	XWSYYJQBBFJOFV-JLPGSUDCSA-N	454.620	6.658	10	40	JKCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O	409241417	NFHXZDIHAKZNAC-PXLXIMEGSA-N	499.954	5.408	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)SC1=S	1204361	YBZSDAVHFDEVOS-YVLHZVERSA-N	482.396	5.397	10	40	JKCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C2=O)c1	2333163	FCRFHXPEPNKGJB-WSDLNYQXSA-N	472.501	5.434	10	40	JKCB	
CC(=O)[C@H](CC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)Nc1ccc(Cl)cc1	2639007	OXPVOAJOQWSHFG-QFIPXVFZSA-N	457.357	5.818	10	40	JKCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C	3334370	FASUPWWCOQGIAZ-UHFFFAOYSA-N	492.315	5.113	10	40	JKCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ncc(Cc2ccc(Cl)cc2)s1	8820278	HPPBWRVUYSDOLZ-GZTJUZNOSA-N	490.031	5.210	10	40	JKCB	
CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C	8952463	NNDKTXONWRWGAE-OPATVOHWSA-N	492.601	5.189	10	40	JKCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(c4ccc(F)cc4)SC3=NC2=O)c1C	9309802	BRRUEKYPSPIHHG-UAQPTAFESA-N	491.979	5.863	10	40	JKCB	
CCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCc4ccccc4)c(OC)c3)C(=O)N=C2S1	9309976	TVUZTQDRNUJZJE-TVRHKFALSA-N	468.966	5.347	10	40	JKCB	
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(C)c4)cc3[C@H]3C=CC[C@H]32)cc1	9804743	CHIXKFKLWWVEOP-CLCZQPDDSA-N	460.599	5.939	10	40	JKCB	
Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)S2)cc1Cl	12462324	VJGOWLLQYSHZFX-ODLFYWEKSA-N	473.779	6.753	10	40	JKCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	13549720	OIQOABXPCXDBBT-HMAPJEAMSA-N	478.551	5.588	10	40	JKCB	
CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccc(C)cc3N12	16001267	DHXZRFZTLGESMD-KKUQBAQOSA-N	467.952	5.671	10	40	JKCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1	16639482	BPFIHYGULFIWRK-JXAWBTAJSA-N	458.867	7.205	10	40	JKCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1C	16700634	HXTIDYWQPQSDHJ-JLPGSUDCSA-N	489.666	6.390	10	40	JKCB	
CCN1C(=O)/C(=C/c2cc(OC)c(OCc3c(Cl)cccc3Cl)c([N+](=O)[O-])c2)SC1=S	32109495	HDRPGMDCDNKZNS-MFOYZWKCSA-N	499.397	5.710	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	35175929	ROROQTMCCYCYJU-FOJGCROQSA-N	495.395	5.463	10	40	JKCB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1	208217662	BIKORKQDDMAPNV-RIWZNOJBSA-N	463.603	5.392	10	40	JKCB	
CCN1c2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)cc2[C@@H](C)CC1(C)C	223536435	FAESPULWIFWBAS-SLDJAQPHSA-N	496.405	5.228	10	40	JKCB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1	223762862	MAHORCFWBJGGNB-IZLXSDGUSA-N	497.668	5.741	10	40	JKCB	
CCc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1C	223856512	RFLAKRKMMRYPPI-SVBPBHIXSA-N	468.626	5.934	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)c2C)cc1	224012874	FNOTWCAUENNPSR-NSOVKSMOSA-N	496.636	5.957	10	40	JKCB	
Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1C	224270187	QHPPAIOKCZYFIT-KAYWLYCHSA-N	496.636	5.981	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3F)c2C)c1	224530963	SPSRIEVSIKJDDQ-UIOOFZCWSA-N	472.589	5.814	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1C	408575450	OIXCLOIRVGQNFQ-XKZIYDEJSA-N	484.643	5.329	10	40	JKCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408756547	WBKPODVIRRSMSP-RVDMUPIBSA-N	475.378	5.569	10	40	JKCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(Br)cc3)C2=O)cc1	408760242	VFMFQWVHJTWMHE-DEDYPNTBSA-N	465.278	5.121	10	40	JKCB	
COc1ccc(/C=C2/C=C(c3ccc(Cl)cc3)N(c3ccc(C4CCCCC4)cc3)C2=O)cc1	408760604	BNQGFADRMJUAHF-PLRJNAJWSA-N	470.012	7.868	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c(Cc2ccccc2F)c1	408885119	WUACJGZXFYLXCF-FYJGNVAPSA-N	478.907	5.053	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCc1cccc(F)c1	408901054	ZQMHVLJPMXDMMS-RGVLZGJSSA-N	494.906	5.042	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409059208	VJOGSFVABLMWEA-OYKKKHCWSA-N	494.513	6.299	10	40	JKCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OCc1ccccc1	409101647	WVYJIIJLIDWTQQ-CPNJWEJPSA-N	492.984	5.067	10	40	JKCB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1C	409126208	HAUPQQWBKYHVIT-WSDLNYQXSA-N	469.563	5.628	10	40	JKCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)SC2=S)c(Cl)c1	409145173	MVDSRKPRXVCTGQ-XKZIYDEJSA-N	497.041	6.135	10	40	JKCB	
COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)c2C)cc1	409217499	WEJPWYMXUOYIKY-XKZIYDEJSA-N	497.414	6.102	10	40	JKCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)c2C)cc1C	409236377	FQAYCIGIIKLTMO-WSDLNYQXSA-N	497.542	5.561	10	40	JKCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)SC2=S)cc1	409346559	NCGNDWZHASHQOQ-UDWIEESQSA-N	475.422	6.725	10	40	JKCB	
CN(C)c1ccc(/C=C2\N=C(c3ccccc3Cl)c3cc(Br)ccc3NC2=O)cc1	575443625	WZIPBLFTPYNOSE-XKZIYDEJSA-N	480.793	5.999	10	40	JKCB	
CCCCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S	2195271	IPJLKCVIONTONL-YLISKIMLSA-N	498.718	5.267	10	40	JKCB	
Oc1ccc2ccccc2c1[C@@H]1O[C@@H](c2ccccc2)[C@H]2CO[C@H](c3c(O)ccc4ccccc34)N12	5080564	SICXCYIEZLITKY-ZGYHLWMKSA-N	475.544	6.574	10	40	JKCB	
COc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(c5cccc(C)c5)SC4=NC3=O)c2C)c1	8450650	YTYSEHHZLKOUIW-DJLIDFDYSA-N	469.570	5.079	10	40	JKCB	
Cc1ccc(COc2ccc(/C=C3\SC(=S)N(c4cc(C(=O)O)ccc4C)C3=O)cc2)cc1	8821351	OPPPLAWCPYOWCI-QRVIBDJDSA-N	475.591	5.986	10	40	JKCB	
CCOc1cc(/C=C2\SC(Nc3ccccc3CC)=NC2=O)ccc1OCc1ccc(Cl)cc1	8821800	YDQXMRZWMAJREW-XYGWBWBKSA-N	493.028	6.963	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C2\SC(=S)N(c3ccccc3CC)C2=O)SC1=S	8870033	FIJDUVVJLJBHIM-ISLYRVAYSA-N	470.666	5.453	10	40	JKCB	
CC1=NN2C(=N)/C(=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)C(=O)N=C2S1	8916233	UAGOTPBCEIZQQO-CSBQMQDPSA-N	468.369	5.635	10	40	JKCB	
Cc1ccccc1C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc([N+](=O)[O-])ccc4C)c3C)C(=O)N=C2S1	9009507	AGSKDGNLVIJDPQ-RGXDOQKYSA-N	498.568	5.287	10	40	JKCB	
CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2ccc(Cl)cc2)cc1	9282629	VNDRKTXYLQGOEN-OIKPOIBNSA-N	470.057	5.493	10	40	JKCB	
COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4cc(C)ccc4C=C[C@H]3C23C(=O)c2ccccc2C3=O)c1	9307041	LLHHOLOFRVTWOU-KCHLEUMXSA-N	493.559	5.035	10	40	JKCB	
CC(=O)N(c1nc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cs1)c1ccc(F)cc1F	13038120	SYQXCYPMTPYHHL-GRSHGNNSSA-N	470.526	5.497	10	40	JKCB	
COc1ccc(OCCn2cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c3ccccc32)cc1	20059439	MXLDMKQQMRXTIV-XHLNEMQHSA-N	486.571	6.948	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N=C2O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	27527670	NAGQPFSBFSLRIW-ZDLGFXPLSA-N	452.517	5.519	10	40	JKCB	
CN(CN(C)/N=N/c1ccc(Br)cc1)CN(C)/N=N/c1ccc(Br)cc1	31772094	BIGWGIVXMICKSC-DQPVQCHKSA-N	483.212	5.620	10	40	JKCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)c1C	33693186	RUCYZWZAUMUENW-DZMCVATHSA-N	487.673	6.636	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	41076759	UJRFZJYBMFFFBT-JQNWBPEASA-N	484.368	5.661	10	40	JKCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1OCc1ccccc1	109034552	XFCRCWSOKDEYBO-XHPQRKPJSA-N	475.544	6.296	10	40	JKCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1-c1cccc2ccccc12	223457593	FLGSMJICUCGCLX-VMPREFPWSA-N	489.648	6.210	10	40	JKCB	
CCc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(C)cc(C)c3)c2C)cc1	224300164	IEHWLSXMQVNUCI-WDYNHAJCSA-N	480.681	6.845	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	224534026	FVHNBVHPWUTGRZ-IZZNHLLZSA-N	498.608	5.373	10	40	JKCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1Cc1ccccc1F	408876049	IWUOXKDEMYXQNF-SRZZPIQSSA-N	492.934	5.362	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4ccccc4Br)cc3)C2=O)cc1	408876665	MZZXDCLZBJIEGZ-CJLVFECKSA-N	489.369	5.269	10	40	JKCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1	408943840	SJVXQRLAVZJNHA-FYJGNVAPSA-N	465.336	6.014	10	40	JKCB	
CCOc1ccccc1C=C1C(=O)N(c2ccc(C)c(C)c2)C(=S)N(c2ccc(C)c(C)c2)C1=O	408991004	PHFXGXUAOWKMEJ-UHFFFAOYSA-N	484.621	6.067	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	409031238	JMJZWYJMKSNMOI-YVLHZVERSA-N	459.418	5.904	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409049445	WXCBLPFGDBIRIZ-LPYMAVHISA-N	489.959	5.481	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c(C)c1	409134454	SWLVOOVMUAXBOT-PDGQHHTCSA-N	481.371	5.157	10	40	JKCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br	409329878	IDUMYGJYWVAJNQ-CXUHLZMHSA-N	465.350	5.162	10	40	JKCB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)c1	409339401	UZMRRJUYKANRQB-YBFXNURJSA-N	455.944	5.700	10	40	JKCB	
Cc1cc(-c2cc(NC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)n2)c(C)n1-c1ccccc1F	3197614	SFNPYYIPQJMXBE-UHFFFAOYSA-N	484.962	6.992	10	40	JKCB	
Cc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(C)n1-c1ccc(I)cc1	3226091	AXYBNTIKUOHOMI-VXLYETTFSA-N	474.729	5.845	10	40	JKCB	
CC[n+]1c(-c2ccccc2)c2cc(/N=N/Nc3cccc(C(=N)N)c3)ccc2c2ccc(N)cc21	4216649	UGKOYGZYLRKTJH-UHFFFAOYSA-O	460.565	5.944	10	40	JKCB	in-man
CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc4ccccc4c23)ccc1O	4522659	DLIBBGHUYXYFMZ-UHFFFAOYSA-N	455.989	7.486	10	40	JKCB	
CCOC(=O)c1ccc(N/C=C2\C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1	8431978	RDXQSBAQKSWFNN-GDNBJRDFSA-N	452.725	5.542	10	40	JKCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1	8821907	LXZQYXWKIJZSHZ-RCCKNPSSSA-N	484.408	6.046	10	40	JKCB	
O=S(=O)(Nc1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccc(Br)cc1	8834639	PQXGUXICTYOBIQ-UHFFFAOYSA-N	495.445	5.304	10	40	JKCB	
O=C1/C(=C/c2ccccc2Cl)N=C(c2ccccc2)N1c1nc2cc(Cl)c(Cl)cc2s1	8894581	BBTBYIMJNLFUNJ-GRSHGNNSSA-N	484.795	7.091	10	40	JKCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1cccc(Br)c1	8935005	VJIMQFSRSLROLW-DEDYPNTBSA-N	496.407	6.074	10	40	JKCB	
CCCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OCC)cc4)c3C)C(=O)N=C2S1	9281785	DOMSUZMVDVXPGR-DHPBROCDSA-N	463.607	5.692	10	40	JKCB	
COc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)cc1	9531160	UBESSIMVNVEGBS-UHFFFAOYSA-N	496.014	6.076	10	40	JKCB	
CCN(CC)c1ccc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)cc1	12601913	ROJKSRUQLRLWAN-ZRZAMGCNSA-N	469.629	5.671	10	40	JKCB	
Cc1cc(C2=Nn3c(nnc3SCc3ccccc3)SC2)c(C)n1-c1ccc(Cl)cc1	12631455	UBRAMNIQRNFXSW-UHFFFAOYSA-N	466.035	5.989	10	40	JKCB	
CC(=O)NCCCc1ccc(C(=O)CSc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc1	13098425	FQTDHJIWHMBDHY-UHFFFAOYSA-N	483.637	5.798	10	40	JKCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	13619089	CPYSTYJMMMCSAZ-TVPJCHETSA-N	496.702	5.019	10	40	JKCB	
CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	13757217	HQKLNWNFPBAZAE-QNEJGDQOSA-N	497.599	5.759	10	40	JKCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2cccc3ccccc23)cc1	20289138	QQQATXJDIICRLW-DIBXZPPDSA-N	463.537	5.994	10	40	JKCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)SC1=S	20324850	VEWMYYTVYAOICG-MOSHPQCFSA-N	472.056	7.194	10	40	JKCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1	33331395	OSVIVGFCTRWVII-JCMHNJIXSA-N	487.943	5.418	10	40	JKCB	
Cc1cc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	33916765	NGYNLIDSUJBIFB-NMHFRFNZSA-N	491.979	5.749	10	40	JKCB	
CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(Cl)c2)N3)cc1	58846768	DZUIZOYVXNKFOJ-CLCZQPDDSA-N	479.045	7.091	10	40	JKCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/SC(Nc4cccc(C)c4)=NC3=O)cc2OC)cc1	97990566	KVNCBPUGBIORNI-HZHRSRAPSA-N	474.538	5.314	10	40	JKCB	
FC(F)(F)c1ccc(/N=N\c2cnc(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1	100406261	KSDGWWACSXDIHL-KTMFPKCZSA-N	483.291	8.007	10	40	JKCB	
CC1=NN(c2nc(-c3ccc(Br)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc(C)c1	100525092	QBSFJGZXEIFEEG-FTGFMQHASA-N	454.353	5.756	10	40	JKCB	
COc1c(Br)cc(Br)cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O	208697034	UWQROGAVUPNLFL-NVNXTCNLSA-N	499.249	5.934	10	40	JKCB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc21	223516525	CLCDPVDIWIXMTL-SRZZPIQSSA-N	456.608	5.393	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccc(Cl)c1	224433099	ZODGCJNVCWRSLD-RPBOFIJWSA-N	477.008	6.459	10	40	JKCB	
COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3ccc(C)cn3)c2C)c1	224538642	YCNFYRZORCFBFA-IZZNHLLZSA-N	469.614	5.378	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1-c1ccccc1	224867812	IFNMPECPTSUJAR-RPBOFIJWSA-N	475.017	6.025	10	40	JKCB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	408528066	FCFLGZBAUJMNCZ-ONUIUJJFSA-N	468.601	5.412	10	40	JKCB	
O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2Br)N1c1ccc(F)cc1	408763360	NCDUXIIPNHLPPI-LFVJCYFKSA-N	471.329	6.576	10	40	JKCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3cccc(Br)c3)C2=O)cc1	408765579	WJHNPPNEXOYRHO-FYJGNVAPSA-N	495.760	5.724	10	40	JKCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4cccc(Cl)c4)c(Cl)c3)C2=O)cc1	408803124	LLJCXHKCTSRBFE-UDWIEESQSA-N	497.334	5.247	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4c(C)ccc5ccccc45)cc3)C2=O)c(C)c1	408804466	AEMBUKJSUJDTMN-YZSQISJMSA-N	490.559	6.010	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)NC2=S)c(C)c1	409130261	GYSKTUTUIIKZSE-BOPFTXTBSA-N	471.365	5.702	10	40	JKCB	
CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(F)(F)F)c2)C1=O	409327815	NMEPSFWRBNJYSI-MOSHPQCFSA-N	459.514	6.663	10	40	JKCB	
Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(c4ccc(C)cc4)C3=O)cc2)cc1	409329989	JJNYYXXIAIKZCV-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)c1	409343817	GRJXHXSTCSUKEU-XDHOZWIPSA-N	454.554	5.983	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)SC2=S)cc1C	409344536	JRMHXALNXWWODS-JAIQZWGSSA-N	469.971	6.321	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C(=O)NC2=S)cc1	409379398	WSQFNWNABKLXFO-ATVHPVEESA-N	471.365	5.647	10	40	JKCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3ccc(OC)c(OC)c3)sc3c2CC[C@@H](C)C3)c1	920915	GJQSJZUMUZGGAC-MRXNPFEDSA-N	496.629	5.772	10	40	JKCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4sc5c(c34)CC[C@H](C)C5)c2C)cc1C	2679263	ZYZOLAODYJQGLL-HNNXBMFYSA-N	475.683	6.815	10	40	JKCB	
COc1ccc(N2CCN(c3c(C(=O)c4ccc(C)cc4)cnc4cc(OC)c(OC)cc34)CC2)cc1	2694464	AQRLEORTJVRULS-UHFFFAOYSA-N	497.595	5.127	10	40	JKCB	
Cc1ccccc1N1C(=O)C(=Cc2c(Cl)cccc2Cl)C(=O)N(c2ccccc2C)C1=S	8385568	KRBXLHAHZHOAEQ-UHFFFAOYSA-N	481.404	6.359	10	40	JKCB	
COc1ccccc1NC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	8819743	HMACSARSENQEIT-PGMHBOJBSA-N	454.617	5.404	10	40	JKCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)SC2=S)cc1	8821398	QFNYNUUMZVNPDT-IWIPYMOSSA-N	496.053	6.896	10	40	JKCB	
O=C1/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC(=S)N1CCc1ccccc1	13590933	LNPCOKSYBDXGLN-XSFVSMFZSA-N	459.514	6.409	10	40	JKCB	
CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1cccc(C)c1	13810330	GVRWJWJMRFILKL-QCRXEWDHSA-N	495.604	6.277	10	40	JKCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OCc1cccc(C)c1	13940020	WHBLEHVMJGQRTL-FYJGNVAPSA-N	476.916	5.743	10	40	JKCB	
CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	16186474	OHAICLYRXJNJBH-JOCHJYFZSA-N	465.897	5.578	10	40	JKCB	
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1	35043084	FROCEVDXERCVDG-MTJSOVHGSA-N	462.487	5.204	10	40	JKCB	
Cc1cccc(C2=NN3C(=N)/C(=C/c4cccn4Cc4ccc(Cl)c(Cl)c4)C(=O)N=C3S2)c1	41076707	AALVJJPFLXUFAF-FDUAJKPBSA-N	494.407	5.819	10	40	JKCB	
CC(C)Oc1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(F)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847159	NUVYKVYOIUDUJV-CLCZQPDDSA-N	478.589	6.240	10	40	JKCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)c(Br)c1	100233049	ARUDXIAGQHVVRI-DEDYPNTBSA-N	465.322	5.973	10	40	JKCB	
CC(=O)Nc1ccc(/N=N/[C@@H]2C(=O)N(c3nc(-c4ccc(Br)cc4)cs3)N=C2C)cc1	100525124	VJLROZVOWPUSPE-FIEZSYLZSA-N	497.378	5.406	10	40	JKCB	
O=C1/C(=C/NC2CCCCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1	101380226	SSQZACHIYYETJB-XMHGGMMESA-N	483.062	6.251	10	40	JKCB	
CCN1c2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)cc2[C@H](C)CC1(C)C	208305902	KGZOFCLTOOLVKP-NXUSMQHESA-N	498.048	6.127	10	40	JKCB	
Cc1cc2c(cc1/C=C1\C(=O)NC(=S)N(c3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C(C)C	223610292	BOMRGXJTPPATPX-NNIWKIFQSA-N	479.621	5.466	10	40	JKCB	
CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3ccccc3C)c2C)cc1	223972114	FAVAXAMVAQFBJF-NSOVKSMOSA-N	495.652	5.933	10	40	JKCB	
Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	224238732	DIGJSLAARYABNZ-NSOVKSMOSA-N	466.654	6.592	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	224568406	RKZDCMATVGBFKC-FTJBHMTQSA-N	470.598	5.380	10	40	JKCB	
C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	225669154	SOYADIMBGAWTGA-YADHBBJMSA-N	475.727	7.263	10	40	JKCB	
O=C(COc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl)Nc1ccccc1	408575472	OLDRHRDKAZOXNG-HMAPJEAMSA-N	495.025	5.759	10	40	JKCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(Br)cc3)C2=O)cc1OC	408752346	DRAPTYJCWQQLTI-KGENOOAVSA-N	477.358	5.609	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2Br)c1	408754480	QWTIAYIRRUHVSS-XQNSMLJCSA-N	460.375	5.658	10	40	JKCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2Br)cc1	408758283	IFOGJWQVTGBRGU-PXLXIMEGSA-N	491.341	5.381	10	40	JKCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	408894598	RNVAOCIQLKSFPH-PXNMLYILSA-N	490.737	5.099	10	40	JKCB	
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OCc1ccc(F)cc1	408970876	LREBPJYGQURMLX-STZFKDTASA-N	484.449	6.152	10	40	JKCB	
Cc1cccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)c(Cl)c4)C3=O)cc2)c1	408988519	RBMRWICRALINPE-XKZIYDEJSA-N	460.917	5.202	10	40	JKCB	
CCc1cccc2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)cn(Cc3ccccc3)c12	409129043	JTSHRMQVULJNQE-VLDJDNEVSA-N	462.640	5.632	10	40	JKCB	
CCCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2ccc(OCC)cc2)C1=O	409345231	KJQVWKDYYHSSLH-ULJHMMPZSA-N	463.624	6.823	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OC(F)F	409347271	NMXYRBRLVQWHHW-YBEGLDIGSA-N	486.359	5.855	10	40	JKCB	
O=c1oc2c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@H]56)[C@H]43)c(O)c(Cl)cc2c2c1CCCC2	606440498	XZXGUROTISUQQY-CBJYTOFKSA-N	495.063	5.426	10	40	JKCB	biogenic
Cc1cccc(/N=N/[C@@H]2C(=O)N(c3ccccc3)C(=S)N(c3ccc4ccccc4c3)C2=O)c1	8437601	OWMOWNDDRGMWDI-RVGLIBJPSA-N	464.550	5.965	10	40	JKCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccc(N4CCN(C)CC4)cc3)n2n1	8763296	IXYAAYULTLXEFE-UHFFFAOYSA-N	468.630	5.284	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)C(=O)N=C2S1	9293560	FKJWRXDFHGYVGQ-SSOZYACPSA-N	474.417	6.210	10	40	JKCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)c1	9424936	ZOAZBAWXSKTUFY-MGPOACGJSA-N	488.613	5.018	10	40	JKCB	
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC(=S)N1Cc1ccccc1	20522416	OISOZBZRQDHWEM-UUYOSTAYSA-N	486.445	6.974	10	40	JKCB	
Cn1c(SCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)nnc1-c1ccccc1Cl	34897154	ZMXLKXDUWCXAED-CYYJNZCTSA-N	462.966	6.282	10	40	JKCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1Cl	35400683	CZPFPPSFWJWLNE-IWIPYMOSSA-N	496.053	7.032	10	40	JKCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OCC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1	41082894	CRLUBMUDWCRKIB-LFSVSOHWSA-N	467.507	5.063	10	40	JKCB	
CC(C)(C)c1ccc([C@H]2Nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[C@H]3C=CC[C@H]32)cc1	58847618	FVTQZKYGECTXDH-CLCZQPDDSA-N	493.072	7.265	10	40	JKCB	
[O-]/[N+](=N/c1ccc(Br)cc1)c1ccc(/N=N/c2ccc(Br)cc2)cc1	100368371	AKCJTJLJVIEARH-RLPYSRNMSA-N	460.129	7.553	10	40	JKCB	
COC(=O)c1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)c2C)c1	223405467	BZGRMTICVFRVHK-SVBPBHIXSA-N	496.636	5.448	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1cccc(F)c1	223895436	RBBIQALPXXTCDZ-SXOMAYOGSA-N	485.632	5.871	10	40	JKCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1-c1ccc(O)cc1	223897586	BAPVCJNVTNDWPH-SXOMAYOGSA-N	483.641	5.438	10	40	JKCB	
COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	224568364	RKZDCMATVGBFKC-UIOOFZCWSA-N	470.598	5.380	10	40	JKCB	
Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)Nc3ccccc3C)SC2=S)cc1	408576149	SBVRNWWPZAMGEQ-HAHDFKILSA-N	474.607	5.727	10	40	JKCB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc5ccccc45)cc3)CC2=O)cc1C	408638619	CTNLCAQUMNBHAV-JOCHJYFZSA-N	450.538	6.241	10	40	JKCB	
O=C(Oc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1)c1ccccc1	408737470	RERNZSJLECIKIF-LGUFXXKBSA-N	489.487	5.649	10	40	JKCB	
Cc1cccc(-n2c(C)cc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2C)c1	408752545	BOARZIDXDJDUDI-UHFFFAOYSA-N	491.616	6.151	10	40	JKCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCc3cccc(Cl)c3)C2=O)c(C)c1	408808903	GTUBMNKOBSHAIR-FYJGNVAPSA-N	495.362	5.856	10	40	JKCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2sc3ccccc3c2Cl)c1	408848622	XMJKHGZJSATUQH-XMHGGMMESA-N	473.941	6.606	10	40	JKCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cc4ccccc4F)ccc4ccccc34)C2=O)cc1	408881395	MDYVWWXNBFSEII-NLRVBDNBSA-N	478.523	5.799	10	40	JKCB	
CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N(c2ccc(Cl)cc2)C1=S	409009522	ASLSLNPZBSOQJG-XMHGGMMESA-N	468.987	5.648	10	40	JKCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1C	409023541	YJAJRDJXYLGMKC-KEBDBYFISA-N	467.953	5.026	10	40	JKCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	409043550	MXMMAJBRTAYDMY-KPKJPENVSA-N	497.763	6.010	10	40	JKCB	
COc1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc(Br)c1OCc1ccccc1	409159017	PUFWMOKZQNOGMD-IECBHUPTSA-N	498.367	7.141	10	40	JKCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCc1ccc(C)cc1	409330966	NSNFUCQVTZPCBD-FYJGNVAPSA-N	496.635	5.190	10	40	JKCB	
Cc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	409340140	RAEUDOCLFDUENB-JAIQZWGSSA-N	452.532	5.337	10	40	JKCB