smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(N2CCN([C@H](c3cc(OC)ccc3OC)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	19556400	LDWGDKIDKBYSIM-WIOPSUGQSA-N	494.596	2.790	10	40	JFCB	
CCc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)cc1	57415236	VFLQOECKHKEWDW-XMMPIXPASA-N	464.566	2.861	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/NC3=CC=C[C@H]4C(=O)c5ccccc5C(=O)[C@@H]34)C2=O)c1	101112395	DCXLJAINQRQEKK-XEXUKXSGSA-N	453.454	2.817	10	40	JFCB	
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)c1	9334969	MJVKRACFHBLEIZ-SDQBBNPISA-N	477.267	2.847	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409272684	RPDFTUGZINRBGN-UHFFFAOYSA-N	457.870	2.814	10	40	JFCB	
COCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2261095	HZCDORRTIXESGP-UZNZLNSGSA-N	496.614	2.996	10	40	JFCB	
COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cccs3)CC2)cc1	11666023	LMZKIWKBICEKCD-UHFFFAOYSA-N	463.567	2.653	10	40	JFCB	
COc1c2c(c(O)c3c1[C@@H](O)Cc1cc4c(c(O)c1-3)C(=O)O[C@@H](C)C4)C(=O)c1cccc(O)c1C2=O	13370011	HRWPMELFEHBAIH-XPTSAGLGSA-N	488.448	2.945	10	40	JFCB	biogenic
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)C)ccc21	8963930	MXEUKPFIEOQOJM-IBGZPJMESA-N	450.461	2.935	10	40	JFCB	
CCN(CC)c1ccc(/C=c2\sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	2258488	UGJROMDRFHQEPI-JCMHNJIXSA-N	478.574	2.513	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccccc1Cl	409271762	MTTQRRRVTAMVBO-UHFFFAOYSA-N	478.686	2.869	10	40	JFCB	
Cc1noc(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	9465498	QQQCWSLRTKHQPO-UHFFFAOYSA-N	465.509	2.664	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2	13525948	QDTSFOAJKOQZOF-QZTJIDSGSA-N	466.490	2.724	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59437419	RIICEJQQXJDNBW-YJADQXIJSA-N	478.618	2.820	10	40	JFCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c1C	41077688	ZWDFDCBPGMWFJZ-QBILMKHKSA-N	457.537	2.724	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccc(Cl)cc4)s3)CC2)cc1	225560479	FEIGLBFUTFPOEC-UHFFFAOYSA-N	493.998	2.963	10	40	JFCB	
CCCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccc(C)cn3c2=O)SC1=S	8858359	UEFPMYFSMGKIDC-LGMDPLHJSA-N	476.624	2.815	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=N)N21	20206183	YOBDWPBBHGMSKN-GODSMQODSA-N	460.518	2.589	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	22535532	LLIASOYHAPOCAL-JQFNYASXSA-N	453.545	2.981	10	40	JFCB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc3c(c2)CCN3C)CC1	22734559	MDBICPSAWHJRTM-JOCHJYFZSA-N	489.542	2.741	10	40	JFCB	
CCN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@H]1CCS(=O)(=O)C1	54360616	CTLPQMOYDRMZEJ-MUBYSKIDSA-N	452.623	2.704	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S	1481331	QBUYASLXEHBUHY-YIQZXQSLSA-N	457.625	2.836	10	40	JFCB	
CSCC[C@H](N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C	1879298	DCHVZOHFSKBYSQ-GOFCXVBSSA-N	498.399	2.969	10	40	JFCB	
COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)c1	15012117	FAKOQTYLYFBMQV-OVCLIPMQSA-N	461.473	2.806	10	40	JFCB	
CCN1C(=O)/C(=C/c2cc(CN3C(=O)c4ccccc4C3=O)c(OC)cc2OC)C(O)=NC1=S	17251348	MGUXRYOXMZTKRI-LICLKQGHSA-N	479.514	2.987	10	40	JFCB	
CNc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1[N+](=O)[O-]	98002881	ZBHVSLRMICMXMK-NVMNQCDNSA-N	486.531	2.996	10	40	JFCB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	408671583	ZDTANBUYWZKXJU-SJBKTWHCSA-N	492.528	2.748	10	40	JFCB	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	4092946	VDMAGFMETDGXLX-UKDJSQQHSA-N	451.523	2.533	10	40	JFCB	
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)[C@@H]1OC(C)=O	11866702	VSDDSBSJVSEXOW-DSYNPFFXSA-N	496.468	2.990	10	40	JFCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	12412457	FGSKEFMPVGFBOT-VOSMRYOYSA-N	463.559	2.570	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4cccc(C)c4)s3)CC2)cc1	223460940	ACJYRJYZYUKSHT-UHFFFAOYSA-N	473.580	2.618	10	40	JFCB	
O=C(CN1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O)Nc1ccc(N2CCOCC2)cc1	1102262	HLMUAIBQVBXKOE-UNOMPAQXSA-N	455.492	2.609	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OC[C@@H]3CCCO3)CC2)cc1	40017813	WXFJQOHDZOPUEU-NRFANRHFSA-N	454.523	2.759	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)c(OC)c1	409105770	ONHWSQDCYWRAOS-GZTJUZNOSA-N	481.505	2.988	10	40	JFCB	
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)O	409188670	JKHDOAASZGACCI-KBVGCWLLSA-N	459.252	2.967	10	40	JFCB	
CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1ccc(N(C)C)cc1	12630859	UQZKFUMQMRZEKP-HXUWFJFHSA-N	450.586	2.625	10	40	JFCB	
Nc1c(N2CCN(CCO)CC2)cc(NCCc2ccccc2)c2c1C(=O)c1ccccc1C2=O	20573530	DKHULMWYPSMWIW-UHFFFAOYSA-N	470.573	2.813	10	40	JFCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)o1	33702868	GPHTUWPKBAPRAN-YBEGLDIGSA-N	455.467	2.777	10	40	JFCB	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)cc1	8721276	OBBKPYLDHBAZIE-FQEVSTJZSA-N	487.603	2.812	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4ccc5c(c4)OCO5)o3)CC2)cc1	3449986	HJZIGHVRLIQTOY-UHFFFAOYSA-N	454.508	2.915	10	40	JFCB	
CSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)n1	9409404	QTFULOKBBQOAOY-OAHLLOKOSA-N	455.005	2.747	10	40	JFCB	
CCOc1ccc(CC(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC	72330951	SFAQDXPEQQNLBW-UHFFFAOYSA-N	456.539	2.927	10	40	JFCB	
NC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21	108985866	OXMKCKLGQCUWHP-CXUHLZMHSA-N	483.347	2.720	10	40	JFCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CCN(c3ccccc3O)CC2)cc1	12606203	MOPRFTOXTSKNAL-HSZRJFAPSA-N	452.599	2.788	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1	20206205	BTGLNYJJAJHMHG-HUMIGVHUSA-N	484.515	2.536	10	40	JFCB	
COC(=O)CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1565524947	SNFRYXISBMQONE-VWLOTQADSA-N	460.534	2.858	10	40	JFCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	9259825	RGKAXMNTNCKEMF-UDWIEESQSA-N	492.919	2.820	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3cn(C)c4c(=O)n(-c5ccc(Cl)cc5)c(=O)[nH]c34)CC2)cc1	9651340	BIVMSAYOZWOXIY-UHFFFAOYSA-N	493.951	2.642	10	40	JFCB	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(C[C@@H]2CCS(=O)(=O)C2)n(C)c1=S	40155471	ODBJYTFOUPCGRT-SFHVURJKSA-N	451.662	2.862	10	40	JFCB	
CCOc1ccc([C@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)cc1	57415400	CKZQZOLFTZRTKZ-XMMPIXPASA-N	480.565	2.697	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	107768696	BIBJQSRDPUVSQX-UHFFFAOYSA-N	461.833	2.645	10	40	JFCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1	214641234	ZGOBCRVYPRVETC-XDHOZWIPSA-N	469.519	2.687	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OC	408811079	KAJVPFSNZRCRRT-NTUHNPAUSA-N	494.241	2.680	10	40	JFCB	
COC(=O)c1c(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2	9671329	HOKAGGCXEBAYDP-CQSZACIVSA-N	459.568	2.989	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1	13504434	ICAKTYNKADBRAA-XUZZJYLKSA-N	465.577	2.969	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1	22928937	XPWQOHWIXFFFGM-LOSJGSFVSA-N	461.614	2.825	10	40	JFCB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(=O)n1Cc1cccc(F)c1	33736906	WYQMIBHCMBFJRS-VQIPHFLVSA-N	497.548	2.778	10	40	JFCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408852524	GZNZDSHVAWNFLR-VZUCSPMQSA-N	497.176	2.711	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409269959	MPYOVJZGAIBLGV-UHFFFAOYSA-N	473.938	2.979	10	40	JFCB	
COCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3c(C)cccn3c2=O)SC1=S	2342975	UHNYFHIRQWLYLT-SSZFMOIBSA-N	476.649	2.794	10	40	JFCB	
COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1	13007863	DGFJCMBHTNYBFA-QHCPKHFHSA-N	466.582	2.978	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S	8858022	IVITYDXXTLDURX-SUCHYCSPSA-N	474.608	2.913	10	40	JFCB	
CN1CCN([C@@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1	22735592	CNUDWTIACFQAPD-QFIPXVFZSA-N	464.582	2.614	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1OC	67287532	MHJAKMQMOOAPAP-XMMPIXPASA-N	480.565	2.697	10	40	JFCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)c(O)cc3O)C2=O)cc1	408986856	NLCBBZSBCFYYDY-QPEQYQDCSA-N	478.242	2.931	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8442739	GYJMRPOWLSJWTA-KZVLXBEFSA-N	490.629	2.930	10	40	JFCB	
CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1	21887070	YIBRSLMNFWNYQM-DEOSSOPVSA-N	450.583	2.760	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1	100334498	OKIZSWHCKYRNIB-AJYIMBPMSA-N	493.505	2.696	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104214164	VGMJLSSBYDZHOD-LYEHZDMLSA-N	463.479	2.788	10	40	JFCB	
CC(=O)N1CCN(c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)CC1	9411227	QRMGFNYBISLMES-XSFVSMFZSA-N	467.913	2.587	10	40	JFCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	12563583	AVYAITLIUMNKIH-UHFFFAOYSA-N	473.595	2.583	10	40	JFCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2	20287294	QZZFPLIYDIECOH-BKUYFWCQSA-N	452.423	2.653	10	40	JFCB	
O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	2266095	POXOKBMQNUKVQF-QXPQOBGOSA-N	474.633	2.628	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc(I)c1O	9295827	FEXGRDNCEPDWCE-WUXMJOGZSA-N	498.273	2.976	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)O	409020865	UWXJHRGAOYZXDH-DWKHYPNZSA-N	454.504	2.995	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCCC1	15959781	FMAVTFWVWWXAQY-YRCDICCDSA-N	475.545	2.784	10	40	JFCB	biogenic
[N-]=[N+]=NC[C@@H]1OCO[C@H](CN=[N+]=[N-])[C@@H]2OCCOCCOc3ccccc3OCCOCCO[C@@H]12	17255293	OVQXDKGGXYRTEB-WOZUAGRISA-N	494.505	2.624	10	40	JFCB	
Cc1cc(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C)n1-c1ccccc1	32842814	XGKICYMYWKVGIQ-IBGZPJMESA-N	499.589	2.882	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(CCc4ccccc4)c(=O)c4ccccc43)CC2)cc1	44839709	XZCNRQJWPZITIY-UHFFFAOYSA-N	498.583	2.763	10	40	JFCB	
CC(=O)[C@H](/N=N\c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1ccccc1C	104124120	GKBYXCGXMKHTMF-APJWOGSOSA-N	473.555	2.839	10	40	JFCB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1OC	13669917	QVODGMLJBPMHJI-UHFFFAOYSA-N	461.584	2.777	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(Cl)c1Cl	13669320	RBRRCEBIEJTBKB-UHFFFAOYSA-N	472.394	2.912	10	40	JFCB	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	19529591	VDMAGFMETDGXLX-PDFGSZSQSA-N	451.523	2.533	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)NCCc3ccc(OCC)c(OCC)c3)nnc2n1	32941807	IJGIWUFYUJFCQI-UHFFFAOYSA-N	488.618	2.631	10	40	JFCB	
COc1ccccc1CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1	9135675	PESNWDADXPHFEI-HSZRJFAPSA-N	450.583	2.647	10	40	JFCB	
COC(=O)c1cc2ccccc2c(CN2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1O	16843930	YCLZMSIUHKZJPJ-UHFFFAOYSA-N	454.548	2.980	10	40	JFCB	
O=C1/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	26840902	VKYYOLSNNYSFEO-IQGJIOQQSA-N	499.595	2.875	10	40	JFCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(Br)c1O	408901978	DFDVMRJLNDOZKZ-WUXMJOGZSA-N	450.176	2.868	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(NC3=NS(=O)(=O)c4ccccc43)C2=O)cc1OC	8861425	FBPVDHVVXDAZBS-XNTDXEJSSA-N	461.546	2.559	10	40	JFCB	
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O	12381030	DZPGIJLEHXHLSI-WIWNTQSISA-N	459.252	2.967	10	40	JFCB	
Cc1ccc(Cl)cc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	13670907	ZGVQEYCBHBMSMF-UHFFFAOYSA-N	451.976	2.567	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1Cl	22734538	BOWRJCKOBOBFAG-QHCPKHFHSA-N	470.017	2.684	10	40	JFCB	
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1	22734915	PMQZPFBKZFFJAP-QHCPKHFHSA-N	468.623	2.919	10	40	JFCB	
O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/NC1CCN(Cc2ccccc2)CC1	1845210	YKAWYMLGLGMAES-KGENOOAVSA-N	452.555	2.707	10	40	JFCB	
O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)NCCN1C(=O)CSC1=S	9582967	JCBUVTPGDXRHSU-UHFFFAOYSA-N	486.600	2.734	10	40	JFCB	
CCCOc1ccc(N2C(=O)C[C@H](NCCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1	95241504	BSOHGMVTARHCHA-VWLOTQADSA-N	480.609	2.918	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409066290	BLKVNCTYOLQFBY-UHFFFAOYSA-N	487.342	2.684	10	40	JFCB	
O=C(COC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)Nc1ccc([N+](=O)[O-])cc1	9335477	KYNNJJHRRJBPNH-UHFFFAOYSA-N	477.476	2.958	10	40	JFCB	
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(C=C3C(=O)NC(=O)NC3=O)o2)cc1	409185631	NQKUKBQZGBIELL-UHFFFAOYSA-N	479.514	2.729	10	40	JFCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O	409234340	VQXFCMFBVWJJBU-LDADJPATSA-N	480.521	2.844	10	40	JFCB	
Cc1c(Cl)cccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	10113354	QXXXBKBMSUHHSS-UHFFFAOYSA-N	451.976	2.567	10	40	JFCB	
Cc1cc(C(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)c(C)n1-c1ccc2c(c1)OCCO2	12558326	BYFHMIHLOBKTIM-UHFFFAOYSA-N	458.478	2.501	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccc(F)cc3)CC2)cc1	22698775	QUIRSUVMMGAJPB-UHFFFAOYSA-N	480.540	2.966	10	40	JFCB	
CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735282	FYYLADUCDXFYLM-DEOSSOPVSA-N	479.625	2.511	10	40	JFCB	
CN1CCN([C@H](CNS(=O)(=O)c2ccc(F)cc2F)c2ccc3c(c2)CCCN3C)CC1	22735595	CNUDWTIACFQAPD-JOCHJYFZSA-N	464.582	2.614	10	40	JFCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22735873	DCJXLKJJFYDZDM-QHCPKHFHSA-N	472.655	2.571	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=N)N21	41077901	SCAGHMOQKUCNKV-BMXNGJOMSA-N	472.479	2.666	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N=C2S1	41083959	ILZGRGJHYJCHNY-OIAJVEJOSA-N	470.374	2.526	10	40	JFCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084566	VUODHYPELXHEDT-ZJMJMQDBSA-N	479.493	2.954	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	67286359	RVEPQXQVFWGPIR-HSZRJFAPSA-N	495.536	2.597	10	40	JFCB	
O=P(O)(O)C(O)(CC[n+]1c(-c2ccccc2)csc1Nc1ccccc1)P(=O)(O)O	2262237	INXNFICSYNWQPJ-UHFFFAOYSA-O	471.388	2.838	10	40	JFCB	
CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1=O	9633192	ARZLZRXYBXUTGN-UHFFFAOYSA-N	483.521	2.702	10	40	JFCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1	20287258	CIFQYLUNDHUZAD-JCMHNJIXSA-N	452.467	2.975	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(F)cc1	408806430	JESNLZQFDHNTGY-UHFFFAOYSA-N	496.232	2.767	10	40	JFCB	
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1	21887011	HFVKHNRVSWJCIT-XMMPIXPASA-N	450.583	2.814	10	40	JFCB	
COc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22734884	YNGKEAUOUKPLSS-HSZRJFAPSA-N	452.599	2.561	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1	41083880	FRBQPFNVKZIQCW-CXHQGSNTSA-N	459.465	2.866	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4cccc(OC)c4)cc3)C(=O)N=C2S1	41084131	LPBFMCRGUQSWPA-RMXFNUKNSA-N	498.542	2.926	10	40	JFCB	
COc1cc(Br)c(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1OC	96930771	MALPUQMQHZELJD-MHWRWJLKSA-N	473.414	3.000	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc2c(c1)OCO2	408731886	QKDMUPZFAXWRKA-VVOOWDFBSA-N	491.569	2.702	10	40	JFCB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CC2)cc1	12554968	VATJLCXVLQKKTJ-UHFFFAOYSA-N	487.622	2.591	10	40	JFCB	
COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@H](C(C)=O)N21	101489079	MEEGLZQSUOWDJS-CIQXWFTPSA-N	463.446	2.591	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC[C@H]1CCCO1	409146487	SDLYEDIWDOIXIB-CCULFSDZSA-N	486.528	2.599	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCN(C)S(=O)(=O)c1cccs1	9975432	WASPLCCXFIAGAO-UHFFFAOYSA-N	451.614	2.644	10	40	JFCB	
CC(C)(C)N1C(=O)[C@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	103517697	RWDICRJTVGAJFP-JVNPVLLESA-N	469.925	2.513	10	40	JFCB	
COc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O	408654470	BQEDQTNHZDWBMJ-ZJOUEHCJSA-N	462.502	2.739	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8442740	XSDFVFCOCZQLOY-VOSMRYOYSA-N	492.557	2.773	10	40	JFCB	
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1	9135805	NHXIQFQKDFWZRY-XMMPIXPASA-N	463.582	2.919	10	40	JFCB	
CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735108	ZEMVGJWJEFWIGB-HSZRJFAPSA-N	481.666	2.834	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)CC2)cc1	223676626	VXAOQKRGTQLFNY-UHFFFAOYSA-N	467.538	2.868	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408733283	WYTXUKKVWQIXRY-PZHBDVNGSA-N	492.557	2.881	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)COc3ccc(F)cc3)C2=O)cc(OC)c1O	28629047	BZLOVCKXVQZGBP-SXGWCWSVSA-N	464.496	2.860	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)cc3)C(=O)N=C2S1	41084151	SBKHRCPGHCMPEM-UBQQHRPYSA-N	458.477	2.510	10	40	JFCB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1	409256085	JPGOWIUTROQNNW-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(Br)cc1O	409192568	YTMXRQRQIOYRDN-WUXMJOGZSA-N	477.292	2.693	10	40	JFCB	
Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1	409264578	MIZKECBEMZAOSS-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
COc1cc(N2CCN(c3ccncc3S(=O)(=O)N3CCCCC3)CC2)cc(OC)c1OC	4019191	NLNGUIPBZJJKQQ-UHFFFAOYSA-N	476.599	2.609	10	40	JFCB	
CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1	9119489	FXUDZOLJDACEEC-UHFFFAOYSA-N	483.546	2.757	10	40	JFCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	9309946	SCECIFLCBXEPIW-XFXZXTDPSA-N	480.315	2.849	10	40	JFCB	
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1	22735605	MCPILEXINLUKKY-VWLOTQADSA-N	499.681	2.603	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/NC3=CC=C[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]34)C2=O)c1	101112396	DCXLJAINQRQEKK-JZJQOUJISA-N	453.454	2.817	10	40	JFCB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OCC(=O)OC(C)C)C2=O)o1	108139815	QPQNLERSIOWFHO-ZDLGFXPLSA-N	485.493	2.556	10	40	JFCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)OC)c(OC)c3)C2=O)c1	408848682	SICKNEIWXNGIHW-GZTJUZNOSA-N	498.488	2.711	10	40	JFCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl	409075973	ZRSAVBQRXXMLPE-LFYBBSHMSA-N	451.218	2.829	10	40	JFCB	
CC(=O)NCCc1c(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)[nH]c2ccccc12	2402936	DMCMZKXVYMMBIT-VBKFSLOCSA-N	450.495	2.817	10	40	JFCB	
COc1ccc2c3c(n(-c4ccc(C(=O)NCCO)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	1547138423	AHWCQPFIXCCQOT-UHFFFAOYSA-N	470.481	2.941	10	40	JFCB	biogenic
COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)CC2)cc1	9094998	WNQVCXNLHOAYHJ-UHFFFAOYSA-N	473.595	2.841	10	40	JFCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(OCC(=O)O)c(OC)c4)S3)CC2)cc1	9188201	KGPNJJSVXUJGAG-STZFKDTASA-N	483.546	2.960	10	40	JFCB	
Nc1[nH]c(=S)[nH]c(=O)c1/N=N/c1c(Br)cc(S(N)(=O)=O)cc1Br	13099280	UHWWJOWAVGOCRB-ISLYRVAYSA-N	484.155	2.602	10	40	JFCB	in-vitro
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1	103918160	ZUAJZLHCQQXSOL-QNGOZBTKSA-N	471.539	2.851	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1	408656647	GCCMWZCKAOVMAW-VWPQPMDRSA-N	492.528	2.748	10	40	JFCB	
C=CS(=O)(=O)c1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	5389845	NHVANJGFAFQZEE-UHFFFAOYSA-N	484.511	2.952	10	40	JFCB	
CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2	15967815	ONEXPVCGLIADDB-KMGQHQDOSA-N	497.551	2.824	10	40	JFCB	biogenic
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1	21887150	CFGFWYMBVFDWMJ-DEOSSOPVSA-N	450.583	2.814	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(Br)c1O	98002413	XOBUOXJENCISKF-GXDHUFHOSA-N	459.387	2.697	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c(C)c1	409253236	ASXJDHYMNGOXQW-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccs1	20559134	LFCQMCQFZNJXPY-OAQYLSRUSA-N	456.568	2.750	10	40	JFCB	
CCOC(=O)c1cnn2c(O)cc(COC(=O)c3ccc(I)cc3)nc12	32933380	OLJNYZCCFSXFCN-UHFFFAOYSA-N	467.219	2.573	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408733282	WYTXUKKVWQIXRY-FBHQFGEZSA-N	492.557	2.881	10	40	JFCB	
COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	100421480	XUDDVVIZLWWTEK-HULNYRCFSA-N	467.591	2.868	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1	13504436	ICAKTYNKADBRAA-ZJSXRUAMSA-N	465.577	2.969	10	40	JFCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N(C)C)ccc21	8963929	MXEUKPFIEOQOJM-LJQANCHMSA-N	450.461	2.935	10	40	JFCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)cc1	41077715	JFJQMMCZLDOJDX-OIQQPNLJSA-N	472.504	2.745	10	40	JFCB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC	222645828	UPEJGLJISZQEIN-UHFFFAOYSA-N	461.584	2.631	10	40	JFCB	
CC1=NN(C(=O)CC(=O)NC(=O)/C=C/c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1	104307018	MAOPWWYONTVTMB-RDZHPTFQSA-N	462.422	2.538	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)c(Br)c1O	59140094	XVEPEVXWEQYDTB-UHFFFAOYSA-N	478.162	2.915	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)c(C)c1	408528098	FEHJBPZIVWKWGB-SAPNQHFASA-N	486.550	2.613	10	40	JFCB	
CCN(CC)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2C)cc1	224975895	RFPHIMFFXDWPDS-UHFFFAOYSA-N	458.628	2.707	10	40	JFCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)cc1	408655555	DJAMONLIZQMEOJ-NJYVYQBISA-N	450.466	2.870	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(I)cc3)CC2)cc1	8674584	UQBMACKEPSTXIK-UHFFFAOYSA-N	458.321	2.811	10	40	JFCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCOCC3)ccc21	22734073	OIZCXTYHKATIIL-NRFANRHFSA-N	492.498	2.706	10	40	JFCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCOCC3)ccc21	23857558	PNQHCKOUAIAMTP-OAQYLSRUSA-N	476.499	2.826	10	40	JFCB	
CC1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)O1	59488607	IXGYERZKXUAOOA-UHFFFAOYSA-N	495.488	2.865	10	40	JFCB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-]	408662099	MVLMGAXXBYUPHS-SJBKTWHCSA-N	491.500	2.947	10	40	JFCB	
COc1ccc(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c(OC)c1	13668723	CTWQMFKCGVZGNX-UHFFFAOYSA-N	461.584	2.777	10	40	JFCB	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4c(C)nn(C)c4C)c(=O)n32)cc1	22752437	YUDVKUHROLLTNC-XOYGFPHKSA-N	493.633	2.605	10	40	JFCB	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)cc1	35678405	PHEZEUIOHGHEEX-YMFQVDJJSA-N	451.548	2.847	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(NCCOCCO)nc12	2353933	VXEXCYQFGMNNMG-LGMDPLHJSA-N	474.608	2.568	10	40	JFCB	
CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	35375219	RGGHTDNUGBUOLN-WNZHRVCPSA-N	469.925	2.513	10	40	JFCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)N=C2S1	41077797	FDJIMOJUTZAFCT-QNMDCZIWSA-N	485.503	2.795	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=S)N(CCC3=CCCCC3)C2=O)c(=O)n(-c2ccccc2)n1C	101075751	GVKPVMHVCVZYSF-XDJHFCHBSA-N	465.579	2.914	10	40	JFCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNc2ccc(I)cc2)C1=O	408531741	LJRITQAHEWUVTR-GXDHUFHOSA-N	462.247	2.683	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	8894594	HLWGHWGUSCXFSX-UHFFFAOYSA-N	463.446	2.632	10	40	JFCB	
COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1	96222266	KCCBVZRLKJVZBX-LJQANCHMSA-N	475.501	2.701	10	40	JFCB	biogenic
O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCN(CCc2ccccn2)CC1	9409794	WLBSGYDYSHNKOZ-SILNSSARSA-N	452.605	2.670	10	40	JFCB	
COC(CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(CCCC(C)C)C1=O)OC	13591484	ZSGXUPLRFBNJPR-SFQUDFHCSA-N	462.503	2.548	10	40	JFCB	
C[C@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O	95946605	ORHOUHMBTCFFJX-CQSZACIVSA-N	482.448	2.628	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	408913140	LCICGIIWEDUCAQ-OVCLIPMQSA-N	473.938	2.931	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC	408987510	FOEZNLXVJXPFMS-GZTJUZNOSA-N	454.504	2.777	10	40	JFCB	
COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	22735514	MQGFQUNNOFEKQO-JOCHJYFZSA-N	459.612	2.738	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408659397	JLDWZHONTZTELJ-FKBYEOEOSA-N	462.502	2.739	10	40	JFCB	
CCOC(=O)COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408692664	RUULAYNWGJIUMG-RIYZIHGNSA-N	495.326	2.804	10	40	JFCB	
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(=O)O)c2)C1=O	9934949	VUKLSIVGKYOQNI-LDADJPATSA-N	451.504	2.825	10	40	JFCB	
COCCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(c2nc3ccccc3s2)CC1	13496356	JPCMGPPQQBZAHJ-QFIPXVFZSA-N	478.626	2.907	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3C)C2=O)cc1	59858380	QPSSVBTTYFMUNH-UNOMPAQXSA-N	476.449	2.985	10	40	JFCB	
CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	108945298	UTJKGXYOIMQCSE-YBEGLDIGSA-N	475.295	2.861	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccccc1Cl	409265552	TWCORDUUFSXGRR-UHFFFAOYSA-N	459.911	2.671	10	40	JFCB	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1	225555396	YJRZOYRSURHERB-FQEVSTJZSA-N	491.057	2.809	10	40	JFCB	
Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1	8858360	AFLUQHOJSUQAQD-ATVHPVEESA-N	476.624	2.671	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1C	9260082	PNVYNOHONQXMIZ-KGENOOAVSA-N	486.528	2.783	10	40	JFCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1	225563251	GFHDESPXHJGNGU-LJQANCHMSA-N	457.596	2.874	10	40	JFCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(N)=O	409199681	CPRYEULHUJQCIO-DHDCSXOGSA-N	463.562	2.557	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1C	409254695	ZXZHYCBRSNPNEL-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O	2919975	ZZQMUMWNGHMRIN-XGICHPGQSA-N	478.280	2.903	10	40	JFCB	
CN(CCCC(=O)NCc1ccco1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	10383370	OFOGFHOJHCFMQE-UHFFFAOYSA-N	466.515	2.772	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\NC(=S)NCCc1ccc(OC)c(OC)c1	104304881	YJJCBYHTYZFPJT-SDXDJHTJSA-N	482.562	2.560	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408968106	WKYMECZIJPLIQE-RGVLZGJSSA-N	482.493	2.547	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	9348892	CTNOOZWFQZTMBJ-BXUJETTOSA-N	477.542	2.917	10	40	JFCB	
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1	23858119	KAPZEPJFXHVIHU-XMMPIXPASA-N	463.582	2.919	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cc(C)cc(C)c4)C3)CC2)cc1	585287256	LQMHDOVBVBBRON-BDYUSTAISA-N	470.610	2.520	10	40	JFCB	
CN(CCCC(=O)NCc1cccnc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	10383355	VVWSCZMCORIRSY-UHFFFAOYSA-N	477.542	2.574	10	40	JFCB	
COC(=O)c1[nH]c2cc(OC)ccc2c1N/C=C1/C(=O)NC(=S)N(CCc2ccccc2)C1=O	13629657	TVFXWEHHWJGUAF-LGMDPLHJSA-N	478.530	2.745	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccs1	41077845	UTGDASUVEMUUHM-GDGARQCUSA-N	490.544	2.597	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2	102265957	QDTSFOAJKOQZOF-ROUUACIJSA-N	466.490	2.724	10	40	JFCB	
CC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408664952	QBCULPQROXZVJV-VABKMULXSA-N	474.513	2.933	10	40	JFCB	
Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1	8858365	UVHJGHUJBIMFAH-AQTBWJFISA-N	488.635	2.958	10	40	JFCB	
[N-]=[N+]=NC[C@H]1OCO[C@H](CN=[N+]=[N-])[C@@H]2OCCOCCOc3ccccc3OCCOCCO[C@H]21	8665526	OVQXDKGGXYRTEB-CGXNFDGLSA-N	494.505	2.624	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1O	36613167	YSAKWUUHNNPDOL-UKWOQQOSSA-N	476.326	2.683	10	40	JFCB	
COc1cc(Br)cc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1O	12506986	IKKMRCGDFKZEGR-KRWDZBQOSA-N	460.288	2.771	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)CC2)cc1	12637408	FHTYYWNFMHDXGA-LJQANCHMSA-N	493.651	2.769	10	40	JFCB	
CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2	16033904	RLUGXWLFCZJFNM-BMEWAZJXSA-N	489.572	2.956	10	40	JFCB	
CCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S	409212410	PRSWUYJXGNVLHF-QGOAFFKASA-N	450.582	2.934	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(Cl)cc1	20637129	CYEQNKUEAZIPGP-RTWAWAEBSA-N	470.957	2.877	10	40	JFCB	
O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccc1[N+](=O)[O-]	96936838	VGENEYUZIBNMOB-YVLHZVERSA-N	457.489	2.955	10	40	JFCB	
CCN1/C(=c2/s/c(=C3/C(=O)N(C4CCCCC4)N=C3C)n(C)c2=O)Sc2ccccc21	100508973	AIGKGCYNPAJULT-YLRGQORSSA-N	454.621	2.846	10	40	JFCB	
Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1	8612201	PXGKUEXGXUFAIE-LJQANCHMSA-N	454.548	2.997	10	40	JFCB	
COc1ccccc1N1CCN(CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1	13031385	LGEKPMMPKGWYEW-UHFFFAOYSA-N	482.606	2.755	10	40	JFCB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCC1(N2CCOCC2)CCCCC1	23881428	AJIULQZBBKHKRH-UHFFFAOYSA-N	490.556	2.770	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCc1ccc2c(c1)OCO2	59139611	MOEYWXYHUDQOGA-UHFFFAOYSA-N	454.504	2.992	10	40	JFCB	
C[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCC2)cc1	95482576	RTSPDSAFLLRJTP-HXUWFJFHSA-N	470.639	2.855	10	40	JFCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@H]3CCS(=O)(=O)C3)C2=O)cc1	10232948	FCGHQSOTJDSEBF-FDIDWWNZSA-N	452.623	2.705	10	40	JFCB	
CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	222679485	FPHULIKENIHDJZ-JOCHJYFZSA-N	461.584	2.597	10	40	JFCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(I)c1	408904585	LUUTVAPOHJWQJZ-JXMROGBWSA-N	452.179	2.802	10	40	JFCB	
CCOC(=O)CN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S	1810146	ULFHEWTXHDIRDK-YPKPFQOOSA-N	455.355	2.950	10	40	JFCB	
CCS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2	13648404	OZYBINGLSGXSOS-UHFFFAOYSA-N	459.568	2.531	10	40	JFCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4cccc5ccccc45)C3=O)cc21	408536936	YJQKRMSEPFRCSQ-NTCAYCPXSA-N	486.444	2.517	10	40	JFCB	
CCOc1ccc(N2C[C@@H](NC(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	9519971	XEWCVQBZXPBGFO-NRFANRHFSA-N	495.624	2.711	10	40	JFCB	
COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1	13007951	LPHOPWQHTAKXSY-DEOSSOPVSA-N	450.583	2.647	10	40	JFCB	
CCOC(=O)c1ccc(Oc2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1	19359151	LLJZRSMNNTXUFY-UHFFFAOYSA-N	468.506	2.578	10	40	JFCB	biogenic
CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Br)cc2)c2ccc(N(C)C)cc2)CC1	23080615	UDPAGWZLILWUJM-NRFANRHFSA-N	481.460	2.782	10	40	JFCB	
CN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	1450049	KSUXJKFBBLHTQC-SDXDJHTJSA-N	463.588	2.852	10	40	JFCB	
COc1c2c(c(O)c3c1[C@H](O)Cc1cc4c(c(O)c1-3)C(=O)O[C@@H](C)C4)C(=O)c1cccc(O)c1C2=O	3807807	HRWPMELFEHBAIH-LKFCYVNXSA-N	488.448	2.945	10	40	JFCB	biogenic
COc1cccc(N2C(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C(=O)N=C2S)c1	103107602	WVJOCHQGXKIBIS-QNGOZBTKSA-N	450.564	2.992	10	40	JFCB	
O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)cc1	409217910	FRXQFAOSLOKIAJ-UHFFFAOYSA-N	478.686	2.869	10	40	JFCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NN1CCOCC1	8820018	YNNPSVAJBACEDP-AQTBWJFISA-N	463.581	2.540	10	40	JFCB	
O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O	13122196	MELBHLSUSRXGSC-YPKPFQOOSA-N	496.389	2.866	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2	408731885	QKDMUPZFAXWRKA-JUTHHCEFSA-N	491.569	2.702	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408866826	ISPDEDHTMCGBNG-UHFFFAOYSA-N	492.307	2.859	10	40	JFCB	
COc1ccc(N2CCN(CC(=O)N(C)CC(=O)Nc3ccccc3Br)CC2)cc1	12517242	KVGRKDXLQPSPTD-UHFFFAOYSA-N	475.387	2.677	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(I)o3)C(=O)NC2=S)c(OC)c1	59595793	IZDHEKBBMKFBJD-YRNVUSSQSA-N	484.271	2.733	10	40	JFCB	
Nc1ccc(/N=N\c2c(Br)cc(S(N)(=O)=O)cc2Br)c(N)n1	104090466	HNQJKUMWRVPBQP-HNENSFHCSA-N	450.116	2.834	10	40	JFCB	
COc1ccc2c(c1)c(C)c(C(=O)N1CCC3(CCCCOCCNC(=O)[C@H](C)NC3=O)CC1)n2C	643564061	BFDCSTXQAZDSNA-IBGZPJMESA-N	498.624	2.539	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2448087	NTRODLQKQZVLMK-XYSGSMRZSA-N	466.881	2.662	10	40	JFCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	9311451	NMTZIKPFVVLUNL-SDQBBNPISA-N	478.280	2.903	10	40	JFCB	
Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1	22734495	LMFFXDNZEOQQTB-DEOSSOPVSA-N	463.626	2.648	10	40	JFCB	
COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	13673359	BXUBIPOTMRSWSV-UHFFFAOYSA-N	487.622	2.882	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1	30852013	MJGZMMMHSHSGGU-UHFFFAOYSA-N	457.596	2.769	10	40	JFCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1	30860587	SLIHVLYMKZOEIC-UHFFFAOYSA-N	457.596	2.769	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)nnc2n1	59579112	NVYVEWZQNREIEZ-INIZCTEOSA-N	468.591	2.865	10	40	JFCB	
COc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408658169	ICPOYWPUFRUVMT-BDTNDASRSA-N	462.502	2.739	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1	13504435	ICAKTYNKADBRAA-URXFXBBRSA-N	465.577	2.969	10	40	JFCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S	2358488	LFYYSNOYQFJEKU-UHVIJJLKSA-N	457.625	2.754	10	40	JFCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3	13590383	DYGMGNQZWPQYBI-WQRHYEAKSA-N	486.871	2.859	10	40	JFCB	
CCN(C(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	54360625	SNZDMFKZYXHBOC-CQUHBBLWSA-N	482.649	2.712	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(OC)c1	408656640	GCCMWZCKAOVMAW-ONTIZHBOSA-N	492.528	2.748	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1C1CCCC1	16025185	JDFJRVPFATXMEC-DNBVQBCISA-N	481.936	2.657	10	40	JFCB	
COC(=O)c1cc(-c2ccc(OC)c(OC)c2)sc1NC=C1C(=O)N(C)C(=O)N(C)C1=O	2270542	VDFZORJNVIKWNL-UHFFFAOYSA-N	459.480	2.565	10	40	JFCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12	9283057	RGKAXMNTNCKEMF-NDENLUEZSA-N	492.919	2.820	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(-c4ccccc4C)c(=O)c4sccc43)CC2)cc1	67217849	WIAZYRTYJQGJRV-UHFFFAOYSA-N	490.585	2.880	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(Cl)cc4)C3)CC2)cc1	585282416	JPQBWKVNDRXPLB-VWLOTQADSA-N	477.001	2.822	10	40	JFCB	
CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C2C(=O)NC(=S)NC2=O)CC1	408719758	QVTZWSZOABJXGI-UHFFFAOYSA-N	471.583	2.982	10	40	JFCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=O)N=C2S1	41077798	AZLDFIXTBFGGFO-SRRKIXIOSA-N	485.503	2.795	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br	107590206	MBYMLVPJBZSKDV-RIYZIHGNSA-N	477.267	2.646	10	40	JFCB	
COc1ccc2c3c(n(CC(=O)Nc4ccc(C(N)=O)cc4)c(=O)c2c1OC)-c1ccccc1C3=O	604404332	CIHYTDDFHVYNAY-UHFFFAOYSA-N	483.480	2.968	10	40	JFCB	biogenic
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1	13007352	IDDULOXORPVAOG-QFIPXVFZSA-N	456.974	2.769	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	67286361	RVEPQXQVFWGPIR-QHCPKHFHSA-N	495.536	2.597	10	40	JFCB	
CCN1/C(=C2/SC(=S)N(NC(C)=O)C2=O)Sc2ccc(S(=O)(=O)C(F)(F)F)cc21	100199814	VZOFTWDDRSIAFW-QBFSEMIESA-N	483.540	2.993	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O[C@@H](C)C(=O)O	409238243	CYRVQKRPWNMROB-ZRRZQRFHSA-N	489.278	2.976	10	40	JFCB	
O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Br)cc1	16038649	TXTIPOFPHJUMCH-KSZLIROESA-N	465.303	2.851	10	40	JFCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2C)cc1	103832020	ILQHWXJCKBYRPY-YYWHXJBOSA-N	492.528	2.946	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc3OC)CC2)cc1	223996323	AHPVMBUTDIHKFY-UHFFFAOYSA-N	487.622	2.770	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)[C@@H](C(=O)N(C)C)C2)cc1	257336310	YNWVOISQKUXRMK-HSZRJFAPSA-N	469.557	2.688	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(I)c1OC	409394009	UHEBTTFPPZCVEN-MDWZMJQESA-N	493.257	2.760	10	40	JFCB	
CCc1nc(-c2cc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2OC)no1	8587224	MGZXXVGOYWLAQS-UHFFFAOYSA-N	458.540	2.827	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1	409222723	DROQLEWUGMYYMG-UHFFFAOYSA-N	458.268	2.524	10	40	JFCB	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	1247351	NHFSEIQMDCYEDV-SDXDJHTJSA-N	469.636	2.980	10	40	JFCB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCO2	13612944	JCPYMEFENLSORV-UHFFFAOYSA-N	459.568	2.878	10	40	JFCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)N3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C2=O)c1	100744952	XGKAKVSVYODRTF-GIVLYESZSA-N	481.599	2.704	10	40	JFCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1	408891279	OALIJYGAJNOLRQ-NTEUORMPSA-N	459.252	2.998	10	40	JFCB	
CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)C(C(=O)OC)=C1C	409006157	XUWARPASQQNLJC-UDWIEESQSA-N	465.506	2.844	10	40	JFCB	
Cc1ccc2nc(NCCCO)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	2206035	SYYPUORMOJOYKJ-YBEGLDIGSA-N	456.549	2.792	10	40	JFCB	
CCCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1OC	96193345	MSIMSKDWOBCQRJ-PDGQHHTCSA-N	457.508	2.854	10	40	JFCB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33431385	SXJZRJZCCOTOIB-RQNDZEIBSA-N	469.450	2.785	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1	57414770	BOVSBKIGAQVLLI-XMMPIXPASA-N	480.565	2.697	10	40	JFCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	103920224	ATHNIUYPKZETCW-HMAPJEAMSA-N	495.488	2.920	10	40	JFCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409014467	PKXRCIVLGLKRKJ-KGENOOAVSA-N	495.532	2.552	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	19529593	VDMAGFMETDGXLX-UGCAPWQASA-N	451.523	2.533	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(CCC(C)C)c(=O)c4sccc43)CC2)cc1	57426683	IASZCGYRQSUVGK-UHFFFAOYSA-N	470.595	2.628	10	40	JFCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1	95909114	NYGJQEDISVOGKW-XKBFBRDOSA-N	478.460	2.993	10	40	JFCB	
COc1cc(N2C(=O)/C(=C\Nc3ccc(NC(C)=O)cc3)C(=O)N=C2S)cc(OC)c1OC	102618545	BXGFHJQQZRAMAB-WJDWOHSUSA-N	470.507	2.826	10	40	JFCB	
O=C1NCCOCCOc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2CN2CCC[C@H]12	643572313	AWMSTZOUZZDSIV-RUZDIDTESA-N	482.600	2.638	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409268035	YXFUABQVNBNABN-UHFFFAOYSA-N	459.911	2.589	10	40	JFCB	
Cc1cc(C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c(C)n1-c1ccc(Cl)cc1	9220558	PPVXNWUXYFZRFF-BJMVGYQFSA-N	455.898	2.584	10	40	JFCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)c(Cl)c3)C(=O)N=C2S1	41077856	DVOPQOAIEYNMIV-IHCXJTTMSA-N	478.895	2.773	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccccc3)c3cccnc3)CC2)cc1	56896370	WWHQWZLBVDRSBY-DEOSSOPVSA-N	452.580	2.932	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccccc1C	409247149	BKAJYMGJUDWBNA-UHFFFAOYSA-N	488.294	2.533	10	40	JFCB	
CN1CCCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCC3)ccc21	8799056	GUGJLMPOYXTXML-JOCHJYFZSA-N	457.596	2.956	10	40	JFCB	
COc1ccc(N2CCN(C(=O)NCC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1	72404381	BNARCGGAELFCTG-UHFFFAOYSA-N	455.540	2.784	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1O[C@@H](C)C(=O)O	409231801	KUMLLGYKRIYNTQ-LUYJPIOASA-N	454.504	2.995	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	9806059	NNRPWAJCAQHJGM-YMFQVDJJSA-N	451.548	2.766	10	40	JFCB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1	33880371	OVWRBRHFYRMTKP-CKNGIZQFSA-N	483.615	2.552	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C[C@H](NS(C)(=O)=O)c3ccc(Cl)cc3)CC2)cc1	225952345	BYISVBWYKLAZTB-FQEVSTJZSA-N	451.976	2.678	10	40	JFCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCOCC3)C2=O)cc1	8820101	QUACECGBIUEYFW-SDXDJHTJSA-N	477.608	2.598	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3S(=O)(=O)N3CCCC3)CC2)cc1	19935427	JPPCLULVMNZORW-UHFFFAOYSA-N	494.013	2.861	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O	408951095	LCOHGSWTWHAIIA-LFYBBSHMSA-N	475.251	2.949	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccccn1	9336594	LBFXMLLDYCFYPD-RUZDIDTESA-N	460.490	2.910	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCC(C)C)cc3C)CC2)cc1	409381115	FDIYUNVNUNDDHP-UHFFFAOYSA-N	475.611	2.666	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1	631428	WMDWUDGQMXFQOS-LVSKKATPSA-N	453.589	2.926	10	40	JFCB	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cccnc3OCC(F)(F)F)CC2)cc1	48341669	CWJGXLXXMRRDQM-CMDGGOBGSA-N	478.471	2.553	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCN4CCCC4=O)c4ccccc34)[C@H]21	1616044633	KFEPNSWCKMWULI-SANMLTNESA-N	471.561	2.527	10	40	JFCB	
O=C1/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1CCCc1ccccc1	2363206	VDNNBDIFCKDGBX-SDXDJHTJSA-N	466.588	2.933	10	40	JFCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	6232851	SHDBUEASFZJNBD-AYBCGVOZSA-N	456.539	2.689	10	40	JFCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	408529255	IXWZTRKTOIGSDQ-CYVLTUHYSA-N	460.538	2.741	10	40	JFCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N(CC)CC)n(C)c(=O)n3C)C1=O	408532841	RFAYYAYCXPHEMN-BMRADRMJSA-N	490.564	2.864	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC	8964142	PMSOQCHXLBJUMC-NRFANRHFSA-N	452.555	2.588	10	40	JFCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C1=O	408533671	OSZCVCXZIYHSGG-FOWTUZBSSA-N	483.531	2.831	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1	408886813	MKCTUGAJXBEABQ-UHFFFAOYSA-N	493.251	2.972	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)ccc1O	730681	PVPZWSGTGXZZCR-NTEUORMPSA-N	450.232	2.857	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S	8858037	RXNAXHLDLRCINA-JFNRVDGVSA-N	488.635	2.936	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(C)ccc4OC)CC3)CC2)cc1	9192187	ZRRCSERGYWPFQG-UHFFFAOYSA-N	487.622	2.762	10	40	JFCB	
CCCCN1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	13766171	YGWNPNYEAAURGM-UYRXBGFRSA-N	477.542	2.918	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(N3CCN(C)CC3)nc12	27016597	LCHHYTJFNVHYOQ-QGOAFFKASA-N	481.603	2.749	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccc(OC)cc3OC)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504478	HGMBABCEKJRALH-DHLKQENFSA-N	494.596	2.790	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=N)N21	20206160	ZAWTYJYUGNZWRR-UHNSRKJASA-N	454.489	2.527	10	40	JFCB	
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	33793867	NRZYJQJYTCPMTE-CDCQXCROSA-N	475.295	2.859	10	40	JFCB	
C[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCCC2)cc1	95482575	RTSPDSAFLLRJTP-FQEVSTJZSA-N	470.639	2.855	10	40	JFCB	
COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O	409191216	DMRORUOPOOKKQH-NTEUORMPSA-N	461.293	2.987	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12	2370210	IGZUENQZLPIJNW-BOPFTXTBSA-N	485.635	2.562	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	35375222	RGGHTDNUGBUOLN-LIBFDHGXSA-N	469.925	2.513	10	40	JFCB	
COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	105394008	OOZOFOJFNAOSFM-HWKANZROSA-N	473.398	2.908	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409248129	CCTRRRXOSRWHNN-UHFFFAOYSA-N	473.938	2.897	10	40	JFCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCC(=O)O)C2=O)cc1OC	8870146	BIXHAILYLBIXLZ-FOWTUZBSSA-N	452.554	2.666	10	40	JFCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	409192310	ARHRCOANXZTUCG-NTUHNPAUSA-N	491.319	2.996	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409194709	QRLOXOLNMBQYGL-UDWIEESQSA-N	488.525	2.723	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1	8819251	PTJDZNJNYJDEGT-DTQAZKPQSA-N	451.545	2.718	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	33154930	FGSKEFMPVGFBOT-FBHQFGEZSA-N	463.559	2.570	10	40	JFCB	
NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)CC1	33344597	ZOPDXKJAKHQOCU-NBVRZTHBSA-N	497.646	2.930	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	59536592	RTXMKNWQMYPKJI-UHFFFAOYSA-N	480.951	2.729	10	40	JFCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	408551975	QHXLFJDLRSWQPB-XDHOZWIPSA-N	452.536	2.852	10	40	JFCB	
CN(CCO)c1c(O)c2c(c(NS(C)(=O)=O)c1Oc1ccccc1)C(=O)c1ccccc1C2=O	15080977	OBDFHCDIVKGOHB-UHFFFAOYSA-N	482.514	2.760	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OS(=O)(=O)c1ccccc1	113833299	YZEMCPKPFUIKSZ-MHWRWJLKSA-N	465.530	2.749	10	40	JFCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)O)c(OC)c3)C2=O)c1	409014392	PJTKXYXEVGKTSD-VZWMTCDZSA-N	454.435	2.612	10	40	JFCB	
CCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1S(=O)(=O)N1CCOCC1	58304527	LJFYYMJSJXGSKP-UHFFFAOYSA-N	457.596	2.582	10	40	JFCB	
CCOC(=O)c1sc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C(=O)OCC)c1C	100207832	QCUKDYBFFYKSSQ-KAMYIIQDSA-N	471.491	2.989	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21	9135552	BRHKGHJRNLCKPN-JOCHJYFZSA-N	464.566	2.732	10	40	JFCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1	409073064	OPTWDABBRQUHSD-ZHZULCJRSA-N	464.455	2.826	10	40	JFCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CSc2nnnn2-c2ccc(O)cc2)cc1	12634272	SMXUSGKMQKMGBA-OAQYLSRUSA-N	468.583	2.734	10	40	JFCB	
CCOc1cc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)ccc1OS(C)(=O)=O	41076783	MLONYJUXNWGWSS-SQQRRHNYSA-N	460.493	2.684	10	40	JFCB	
COc1ccc(O)c([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]32)c1	12401346	GMOYMGBNMQFJKA-PDFGSZSQSA-N	468.506	2.729	10	40	JFCB	
NC(=O)COc1cccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c1	96114717	UQVFPWIGSKKCML-OAHLLOKOSA-N	489.436	2.882	10	40	JFCB	biogenic
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O	408968239	XNAVUPCQRHDMBZ-DEDYPNTBSA-N	478.530	2.716	10	40	JFCB	
CCN(C(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)[C@H]1CCS(=O)(=O)C1	28296987	CKGQMJGLVQGLRU-NCPSJORJSA-N	459.014	2.577	10	40	JFCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC	409394274	YAFGSYANFAQSNI-JYRVWZFOSA-N	493.257	2.760	10	40	JFCB	
COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1	13007948	LPHOPWQHTAKXSY-XMMPIXPASA-N	450.583	2.647	10	40	JFCB	
Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C/Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1C	16267929	RGPGHDZRFGLUCN-WQLSENKSSA-N	470.283	2.814	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccc(OC)cc4)CC3)CC2)cc1	408557363	GTSPIHJGEDCSKF-UHFFFAOYSA-N	487.622	2.843	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(N)=O)C2=O)cc1Cl	409223477	HYGPMXNMFFSVBZ-VGOFMYFVSA-N	492.713	2.941	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4)CCOCC3)[C@H](C(=O)N(C)C)C2)cc1	585261995	VRLQTYDBZCXZJC-DEOSSOPVSA-N	465.594	2.840	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)COc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O	28628979	VIVHDLZBPXCSKS-SXGWCWSVSA-N	461.477	2.620	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCC(=O)OC	408692078	CWYUJYMUMZSMEN-RIYZIHGNSA-N	450.875	2.695	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1C	409260230	NBIKYJLJRGXUBG-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@@H](C)C(=O)O)c3)C2=O)c(OC)c1	9290858	MWDQQTFRYNGWEN-HNEYUBDGSA-N	463.446	2.971	10	40	JFCB	
CCOC(=O)Cn1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2cc(Br)ccc21	59087212	CXMIHUIXJMPVSW-UHFFFAOYSA-N	464.341	2.566	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1cc(Cl)ccc1Cl	408763714	JPVJLWNTABWACW-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O	409263282	KHMBPTGWYFTWBF-UHFFFAOYSA-N	474.336	2.689	10	40	JFCB	
O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	8858053	RJJWTGHOIQUPTF-JXAWBTAJSA-N	482.587	2.517	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)O)C(C)C)C2=O)cc1OC	8870135	QBXBOXKCQRXBGG-IUYQLWOBSA-N	452.554	2.521	10	40	JFCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCN2CCOCC2)cc1	20288700	IEEDIKGXBPNWCA-NKFKGCMQSA-N	450.539	2.651	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)C(=O)O	35087653	AOINDPNCVPWASS-KSSSLANASA-N	461.268	2.771	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccc(OC)cc3OC)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504479	HGMBABCEKJRALH-WIOPSUGQSA-N	494.596	2.790	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	13573400	RGGHTDNUGBUOLN-GQFSOJHHSA-N	469.925	2.513	10	40	JFCB	
COc1cc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2oc(C)cc(=O)c2O)ccc1O	524729832	LKVGJKNATDNUCU-MRXNPFEDSA-N	455.463	2.660	10	40	JFCB	biogenic
CCN(CC)c1ccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c(O)c1	8892463	KKLLQPHSPKYEEH-UKDJSQQHSA-N	451.523	2.527	10	40	JFCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccc(F)cc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084552	CPYNWLCFSNOUPH-LDYHWCGOSA-N	479.493	2.954	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1OC	67287535	MHJAKMQMOOAPAP-DEOSSOPVSA-N	480.565	2.697	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3[C@@H](CNC(C)=O)C[C@]4(C)[C@H]3CCCC[C@]4(C)O)CC2)cc1	585284434	SDMPNXRYFOXZOM-RCOXAODPSA-N	473.658	2.937	10	40	JFCB	
Cc1ccc2[nH]c(C)c(/C=C3/C(=N)N4N=C(CC(=O)N5CCOCC5)SC4=NC3=O)c2c1	9159477	ZGFQDRYLAABYHQ-BHBBQXGTSA-N	450.524	2.653	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(I)c1O	96398854	BNEYQUNMBRMYFK-UXBLZVDNSA-N	465.290	2.681	10	40	JFCB	
CC(=O)[C@@H](Cc1ccccc1)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	9982291	HWJBLRYCLKNRCS-JOCHJYFZSA-N	455.466	2.935	10	40	JFCB	
CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC=C1C(=O)N(CC)C(=S)N(CC)C1=O	13138502	GIHUGSPSUQLGEU-UHFFFAOYSA-N	469.567	2.838	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12	16736829	XVYLZGKLDKZWGI-GKUYHTSYSA-N	472.592	2.771	10	40	JFCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(I)c1O	408901720	AXEIASGKPMIPMW-WUXMJOGZSA-N	497.176	2.711	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	1093098	LMAQITOYTCOMHZ-UHFFFAOYSA-N	453.520	2.620	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	2369730	PQNDGUIJNFNJGV-XOVFHRFOSA-N	466.881	2.662	10	40	JFCB	
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1)C(=O)O	12381029	DZPGIJLEHXHLSI-RCEBRVLHSA-N	459.252	2.967	10	40	JFCB	
Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1	21463530	IPBUXYHMRRGLBJ-UHFFFAOYSA-N	473.502	2.864	10	40	JFCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)NCCCN1CCOCC1	8714004	ISZDMHASIJWNPA-VKAVYKQESA-N	454.017	2.770	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NCc4ccccc4)cc3)CC2)cc1	8430491	YWGVSMTWOOQEIJ-UHFFFAOYSA-N	495.601	2.901	10	40	JFCB	
COCCN1C(=O)/C(=C\c2cn(CC(=O)OC)c3ccccc23)C(=O)N(c2ccccc2)C1=O	9265001	UEJPINBUBPRCNH-XSFVSMFZSA-N	461.474	2.840	10	40	JFCB	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	13613664	TYZVUDGMJPTRRZ-MRXNPFEDSA-N	451.976	2.648	10	40	JFCB	
O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)NCCCN1CCOCC1	19905307	STEMTRWMAGVYNW-SAPNQHFASA-N	498.468	2.879	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	102551106	NRJCWSNIFQXTOM-LYPXWFNGSA-N	450.426	2.988	10	40	JFCB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	20150634	XUDDVVIZLWWTEK-VWEIPLKFSA-N	467.591	2.868	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3cccc(OC)c3)c3ccco3)CC2)cc1	56946146	OXMYSZZRCSIFOL-DEOSSOPVSA-N	492.576	2.593	10	40	JFCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3cccc(C)c3)C1=O)n(C)c(=O)n2C	408528333	FTOAQWGERXAEIG-SAPNQHFASA-N	476.537	2.610	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OC	408740536	LJEFNXVOPZVFGB-MDWZMJQESA-N	478.242	2.975	10	40	JFCB	
COC(=O)CCNC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1565524899	SNFRYXISBMQONE-RUZDIDTESA-N	460.534	2.858	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)N1CCOCC1	9232283	SZVZCVVOPUZMMJ-MOSHPQCFSA-N	487.603	2.889	10	40	JFCB	
Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408945848	ODYOGFFVACARFK-VIZOYTHASA-N	460.489	2.776	10	40	JFCB	
Cc1ccccc1N1C(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C(=O)NC1=S	408962113	PZLKRQWKNSHBPU-XSFVSMFZSA-N	488.569	2.640	10	40	JFCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCCO2	409200898	TUILTMFHRAPCBU-FYJGNVAPSA-N	481.530	2.969	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504462	HKYMCIAFLUTXIT-URXFXBBRSA-N	464.570	2.781	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCc3ccco3)CC2)cc1	38487574	QCDPPVWIDACZPB-UHFFFAOYSA-N	461.565	2.791	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C[C@@H](NS(C)(=O)=O)c3ccc(Cl)cc3)CC2)cc1	225952331	BYISVBWYKLAZTB-HXUWFJFHSA-N	451.976	2.678	10	40	JFCB	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(S(N)(=O)=O)cc1	13914619	YDDGNOAQKBCSCJ-DEDYPNTBSA-N	450.476	2.629	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)CC2)cc1	17814235	NYCPUEJEBJHXCK-UHFFFAOYSA-N	471.623	2.891	10	40	JFCB	
COc1cccc(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)c1	19996380	WVJOCHQGXKIBIS-RCCKNPSSSA-N	450.564	2.581	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c1C	13388169	WHKSEQREHPGPDG-PDGQHHTCSA-N	465.487	2.877	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(Cl)c1	20801709	ZFQNTIITBOPIRF-NHCUHLMSSA-N	470.957	2.877	10	40	JFCB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408671585	ZDTANBUYWZKXJU-VWPQPMDRSA-N	492.528	2.748	10	40	JFCB	
O=C(Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21)N1CCOCC1	1789359	SESFDBCPVCJPSR-XDHOZWIPSA-N	462.462	2.595	10	40	JFCB	
CCOC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1	20392430	SZOYHPVMOLWELH-UHFFFAOYSA-N	482.533	2.886	10	40	JFCB	biogenic
COc1ccc(N2CCN(CCCNC(=O)c3nn(-c4ccccc4F)c(C)cc3=O)CC2)cc1	32764320	GEAYYIRBOZSIRF-UHFFFAOYSA-N	479.556	2.631	10	40	JFCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C[C@@H]1CCCO1	33592451	FSJGEOUUJFAVIY-BTVXTAIASA-N	485.606	2.822	10	40	JFCB	
CCOC(=O)COc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	108945300	UTJKGXYOIMQCSE-MHWRWJLKSA-N	475.295	2.861	10	40	JFCB	
COc1ccc(N2CCN(C3=N[C@@H](c4ccccc4OC)n4c(nc(C)cc4=O)N3)CC2)cc1	8990126	XAGGHNKYQRBHIF-HSZRJFAPSA-N	460.538	2.720	10	40	JFCB	
CC(C)CCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S	2370165	KOQZIZABEUDRSY-LGMDPLHJSA-N	485.635	2.644	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCCC1	15959780	FMAVTFWVWWXAQY-KKBCGBJISA-N	475.545	2.784	10	40	JFCB	biogenic
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(OC(F)(F)F)cc3)N3CCOCC3)ccc21	22734070	OIZCXTYHKATIIL-OAQYLSRUSA-N	492.498	2.706	10	40	JFCB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=C3/C(=N)N4N=CSC4=NC3=O)cc2OC)cc1	33457686	NOGIFVXXSSJRGS-OEMMCLACSA-N	472.504	2.720	10	40	JFCB	
CC[C@@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1	57671683	YWWUJHJVUAPLKJ-QFIPXVFZSA-N	470.599	2.695	10	40	JFCB	
COc1ccc(OC)c(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)c1	19995441	FACSLTKKVLEANM-HMMYKYKNSA-N	480.590	2.590	10	40	JFCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C(=O)O)C(C)C)C2=O)cc1OC	8870163	PJBGXVMNROASAC-QIPHDZALSA-N	466.581	2.911	10	40	JFCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)cc1	41077701	OISGWFWCOXMWGZ-QNMDCZIWSA-N	457.537	2.724	10	40	JFCB	
COc1ccc(OC)c(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c1	9441549	IEXXOWHMJKBLSP-UHFFFAOYSA-N	460.442	2.857	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCN(C)CC3)C2=O)cc1	8819882	ZYSCAUAONDYIQM-MNDPQUGUSA-N	462.641	2.735	10	40	JFCB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O	108917298	YKQAWMOBDAPOJQ-BTAWCLGRSA-N	461.268	2.771	10	40	JFCB	
COC(=O)/C=C1/SC(N2N=C(c3ccc(Br)cc3)C[C@]2(O)C(F)(F)F)=NC1=O	1415539	WSMMLCYJKDBJJC-VQCVXAJWSA-N	478.246	2.796	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)O)C2=O)cc1	6798412	PAKBMMARPIWPLP-DHDCSXOGSA-N	459.252	2.887	10	40	JFCB	
CN1CCCc2cc([C@H](CNS(=O)(=O)c3cc(F)ccc3F)N3CCOCC3)ccc21	22735469	QPRWXZMCYQFECL-NRFANRHFSA-N	451.539	2.699	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C	409258589	YEBUGNZBNRXLGJ-UHFFFAOYSA-N	457.870	2.732	10	40	JFCB	
COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H](C(C)=O)N21	8993166	MEEGLZQSUOWDJS-GFRNBQLOSA-N	463.446	2.591	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O	13787171	FGNXLWFUKXUSNQ-RHVZPXKPSA-N	491.938	2.749	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	19529601	KAAOTIJMRYFMMU-AIFLQVKLSA-N	451.523	2.533	10	40	JFCB	
CCOc1ccccc1[C@H]1NC(=O)NC(CN2CCN(c3ccc(OC)cc3)CC2)=C1C(=O)OC	57415754	KNGQUHRUCPDZBP-XMMPIXPASA-N	480.565	2.697	10	40	JFCB	
C[C@H](NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1	408670794	YFHQVAROCCVEOR-MKWLTTDUSA-N	460.530	2.970	10	40	JFCB	
CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1	2072133	IXLYEJLOGNYZGN-HKWRFOASSA-N	471.560	2.589	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCCC1	16021251	QYXPJYWPGHOFPM-MPWBWRNSSA-N	479.508	2.533	10	40	JFCB	
COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(I)cc4)C3=O)CC2)cc1	19877350	QRCGBLKXNRJTEF-LJQANCHMSA-N	491.329	2.754	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1	8861196	DEFMHXPPLKIQIE-HHHXNRCGSA-N	472.545	2.964	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3cc(OC)ccc3OC)c3nnnn3C[C@H]3CCCO3)CC2)cc1	19556406	LDWGDKIDKBYSIM-RCZVLFRGSA-N	494.596	2.790	10	40	JFCB	
Cc1cc(C(=O)CN2CCN(C(=O)c3cccc(F)c3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	27457051	BMGLREXYQFMNOX-UHFFFAOYSA-N	498.580	2.521	10	40	JFCB	
COC(=O)c1cc2ccccc2c(CN2CCN(Cc3cc(=O)n4ccccc4n3)CC2)c1O	40061173	GKDUDXGFHOKVHE-UHFFFAOYSA-N	458.518	2.658	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4nc(O)[nH]c4cc3N3CCCCC3)C2=O)cc1	408529440	JPOVUEDRDCHNOH-SSZFMOIBSA-N	476.493	2.846	10	40	JFCB	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cn(CC)nc4C)c(=O)n32)cc1	2806541	PDNGSODLRYLQKX-YJADQXIJSA-N	493.633	2.779	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8443132	MMMHMMNNLYCOIB-QFVBLGFASA-N	477.586	2.873	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br	409224085	IVYGMIDIMYJQBF-NTUHNPAUSA-N	478.686	2.633	10	40	JFCB	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4cn(CC)nc4C)c(=O)n32)cc1	2806539	PDNGSODLRYLQKX-XOYGFPHKSA-N	493.633	2.779	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)CC2)cc1	12534560	ZBQFRHLPKDRDQW-HHHXNRCGSA-N	472.545	2.964	10	40	JFCB	
Cc1cccc(-n2c(=O)[nH]c(O)c(/C=C3/C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)c2=O)c1	16349888	HACIQUIAIOHEQM-XNTDXEJSSA-N	466.837	2.700	10	40	JFCB	
CCc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)s1	22735589	WTGQBXLGHDOZFK-QFIPXVFZSA-N	462.685	2.960	10	40	JFCB	
COC(=O)[C@@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	33779213	LRRGXJCYVHJZAP-CDCQXCROSA-N	475.295	2.859	10	40	JFCB	
CCOc1c(I)cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1OC	409352673	YICHRWDHNIHZRA-WDZFZDKYSA-N	479.317	2.984	10	40	JFCB	
COc1ccccc1-n1nnnc1SCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	9670874	YORVSMBVCOLAKE-UHFFFAOYSA-N	498.590	2.701	10	40	JFCB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408657139	GGHYFKBQWMNVCW-VABKMULXSA-N	489.528	2.689	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408733495	YKMNOBBMMVSSIW-PZHBDVNGSA-N	463.559	2.679	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1Cl	409227254	YPILDCCWMYSFIB-AWNIVKPZSA-N	492.713	2.941	10	40	JFCB	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(I)c1O	9233792	LGVZRSYVTAVNIT-BJMVGYQFSA-N	465.290	2.681	10	40	JFCB	
Cc1ccc2c(c1)/C(=C1/SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C1=O)C(=O)N2	32594761	QAVMIWWJAKHAMZ-MSUUIHNZSA-N	482.568	2.626	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)O)C(C)C)C2=O)cc1OC	8870134	QBXBOXKCQRXBGG-OBHPCNEJSA-N	452.554	2.521	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCCCC1	28048161	BGDWOFBADRXQIK-SFQUDFHCSA-N	464.565	2.762	10	40	JFCB	
N=C1/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084560	MQGGJYSKXAWGIL-REANCEOQSA-N	461.503	2.815	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409260222	MWPQDVHEKBUJOR-UHFFFAOYSA-N	473.938	2.979	10	40	JFCB	
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc([N+](=O)[O-])cc3)c(O)c12	4523148	SNUHXDGOPDEGQK-VHEBQXMUSA-N	468.425	2.945	10	40	JFCB	
Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	12561191	HSWUTPWPAPPSRZ-UHFFFAOYSA-N	478.552	2.789	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)c(F)c1	67286053	BTKQQEAEAUIKDS-HSZRJFAPSA-N	486.519	2.967	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc(I)c1OCC	409390883	GCKRWYPDMFIDRY-YRNVUSSQSA-N	474.320	2.735	10	40	JFCB	
COCCCNC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21	2993828	RLEKCSQOKFAAPW-XDHOZWIPSA-N	464.478	2.889	10	40	JFCB	
COCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	27016460	OFYYIWLNOYWOBK-DYFSNASRSA-N	488.635	2.854	10	40	JFCB	
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)cc1	40567574	KMAMBUDAFBCZKZ-ATDKOCKZSA-N	461.473	2.862	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NCc3ccc(C)cc3)CC2)cc1	22698813	NRPHZQCKNDELGS-UHFFFAOYSA-N	490.604	2.813	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@@H](O)CNCCN2CCOCC2)c2ccccc12	101347658	AQGKWSHRAOAESH-MSIOFZDNSA-N	487.604	2.730	10	40	JFCB	
COc1cc(CN/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	1872074	ASAGVDYNLBSSET-PTNGSMBKSA-N	490.310	2.731	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC	16196186	GPXLEJYNCOVYOC-DHDCSXOGSA-N	489.278	2.676	10	40	JFCB	
COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	57333699	FSHZLVYCSONBPA-XVNBXDOJSA-N	496.520	2.707	10	40	JFCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1	101186087	WFWPNNXHSVIFAC-HKWRFOASSA-N	468.485	2.903	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104204001	QTEULSNJILANLC-LYEHZDMLSA-N	463.479	2.788	10	40	JFCB	
CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	408557068	LXQYYYNGROXUSK-UHFFFAOYSA-N	461.584	2.501	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1OCC(=O)OC	408771298	GVJQRUGMKYSGSA-WOJGMQOQSA-N	452.463	2.920	10	40	JFCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1	408965528	IGZJWMAKFHVXIC-HYARGMPZSA-N	492.557	2.970	10	40	JFCB	
NC(=O)COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	409259122	WQTUNBMZIGKRBN-SDQBBNPISA-N	450.303	2.689	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc(OC)cc3)c3cccnc3)CC2)cc1	56896384	LESNYKPLDLMHGV-RUZDIDTESA-N	482.606	2.941	10	40	JFCB	
CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(OC)c(Cl)c1	19930281	KLFCPTWISJOHGY-UHFFFAOYSA-N	482.002	2.717	10	40	JFCB	
COc1ccccc1[C@H](O)CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	32019001	NQRWBQGXOSEPIA-HXUWFJFHSA-N	487.490	2.573	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccc(OC)cc4)cc3)C(=O)N=C2S1	41084128	HKDIHQZUSDKDHE-YOUSBUAYSA-N	498.542	2.926	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O	409223321	GXDIOYQJOOMSJQ-WUXMJOGZSA-N	464.261	2.533	10	40	JFCB	
O=C(NN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S)c1cccs1	409349857	WILQCLRXQKUICV-SFQUDFHCSA-N	489.600	2.532	10	40	JFCB	
O=C(O)CCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	2375273	PLIIZIOABSEIHJ-BQGMYUGNSA-N	496.570	2.516	10	40	JFCB	
CCOc1cccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c1O	8873408	ZDMUFUSVYQUKEI-LWIATZKVSA-N	484.574	2.813	10	40	JFCB	
COc1ccccc1OCCCn1cccc1/C=C1/C(=N)N2N=C(N3CCOCC3)SC2=NC1=O	41084453	FJDLGGLOHRXMHV-KBWVGNHGSA-N	494.577	2.875	10	40	JFCB	
Cc1ccc(NC(=O)CNC(=O)CN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1C	41154486	LVXVNXHMKBCNLJ-DJKKODMXSA-N	483.571	2.988	10	40	JFCB	
COC(=O)COc1c(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cccc1OC	408529643	IVNDDJVSFJWEIZ-LFIBNONCSA-N	458.517	2.793	10	40	JFCB	
Cn1c(=O)n(C)c2cc(N3CCCC3)c(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	408530864	MXDJLGLKSIDDHZ-SSZFMOIBSA-N	494.939	2.709	10	40	JFCB	
O=C(O)C[C@@H]1CCN(Cc2ccccc2O)C[C@@H]1CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	12480962	FDOJDEODULYEDE-VVSUKSJXSA-N	465.594	2.976	10	40	JFCB	biogenic,in-vitro
O=C1/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1	1474167	AVCQAKXEFWGMAJ-VBKFSLOCSA-N	454.533	2.526	10	40	JFCB	
CC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408664956	QBCULPQROXZVJV-ZRBLBEILSA-N	474.513	2.933	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C2=O)c1	408855852	ONIPWEYGDQKDSL-XNTDXEJSSA-N	460.284	2.854	10	40	JFCB	
CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)C(C(=O)OC)=C1C	409014707	YEBWRQPZMWCNCY-WOJGMQOQSA-N	471.897	2.880	10	40	JFCB	
CCC(=O)NCCc1c(/C=C2/C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)[nH]c2ccccc12	2156020	LSKYETSVYXMGTK-RGEXLXHISA-N	460.490	2.912	10	40	JFCB	biogenic
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	9111704	LPVBIUWGFKSSHB-UHFFFAOYSA-N	493.636	2.524	10	40	JFCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)o1	20239046	PJXWMTHGPHPTGL-SBPWCSLQSA-N	459.465	2.784	10	40	JFCB	
COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	35168800	JFADYMUYDJHENV-IOVUBPJKSA-N	486.546	2.610	10	40	JFCB	
Nc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12	4261862	BIRSOLGVSAACRW-VHEBQXMUSA-N	468.425	2.945	10	40	JFCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5OC(C)=CC5=NC4=O)cc3OC)nc2s1	20332131	UEQSOXKCWDJFAJ-UOMFMSKPSA-N	492.517	2.751	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)c3ccco3)CC2)cc1	56946382	MYCMIKJKPAZFJD-JOCHJYFZSA-N	499.589	2.901	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Br)c3)C2=O)cc1	408807524	DAMDRHZJWHCTLD-NTEUORMPSA-N	459.252	2.911	10	40	JFCB	
Cc1cc(C(=O)CSc2nnnn2Cc2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9478166	DXMKARMXNCAVFU-UHFFFAOYSA-N	482.591	2.751	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1	9882437	UMNOCEFASUWCFH-HXUWFJFHSA-N	459.612	2.944	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1	16134905	FHNFSGHFVPPWCQ-UHFFFAOYSA-N	463.987	2.890	10	40	JFCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1	16736673	QQKZQVAXUFZTPK-WKKXACCHSA-N	472.592	2.771	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(Cl)c1	20801715	ZFQNTIITBOPIRF-RTWAWAEBSA-N	470.957	2.877	10	40	JFCB	
CCCCN1C(=O)/C(=C\c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S	27016578	MMHOTJTVYBOXGL-SAPNQHFASA-N	457.625	2.756	10	40	JFCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1	103682003	FLQNQVYNAWICNW-ACCUITESSA-N	479.345	2.676	10	40	JFCB	
CCN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21	16733290	JZYUGKHQRVZMAY-YAWLZAOSSA-N	487.422	2.574	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1	16953934	BRQZCGSIURSJGI-UHFFFAOYSA-N	471.501	2.596	10	40	JFCB	
COc1c(/C=C2\C(=O)N(C)C(=O)N=C2O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2	9058641	FVTFBLAMRNBDGF-ATVHPVEESA-N	465.462	2.671	10	40	JFCB	biogenic
CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O	248249769	RWDICRJTVGAJFP-LGIZFMHMSA-N	469.925	2.513	10	40	JFCB	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	5225354	RVGBWMZVTMFDNE-JOCHJYFZSA-N	479.510	2.620	10	40	JFCB	
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	20206176	HGRMEJHVRMVWIX-ATKCCKKESA-N	484.515	2.536	10	40	JFCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	408536019	VGADBJFBYSMSJA-SILNSSARSA-N	487.608	2.964	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408732161	SWJKQELIEGCNCY-FQWPPLDYSA-N	477.586	2.982	10	40	JFCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C(=O)O)C(C)C)C2=O)cc1OC	8870162	PJBGXVMNROASAC-FYXHJSOBSA-N	466.581	2.911	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1	9311427	QTWYKXQJIRORSB-UHFFFAOYSA-N	461.293	2.641	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OCC(=O)OC	408981394	AVHBKTLPCYDXAM-PDGQHHTCSA-N	452.463	2.866	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104203998	QTEULSNJILANLC-WWDJGNSZSA-N	463.479	2.788	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(I)c3)C2=O)cc1	408740238	JOCRPGWBELSNHL-NTEUORMPSA-N	478.242	2.975	10	40	JFCB	
CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O	4766386	XZBAJNJKFMBLIB-UHFFFAOYSA-N	450.539	2.851	10	40	JFCB	
COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3sc(C)nc3C)CC2)cc1	11666066	WNWYJJBWNPULMB-UHFFFAOYSA-N	492.609	2.665	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CSc3nnc4c5ccccc5n(CC(=O)O)c4n3)CC2)cc1	13086564	SOZKTEHOPJYPPM-UHFFFAOYSA-N	492.561	2.514	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1OC	1186399	HJYHBFGYSZVDOY-NVNXTCNLSA-N	489.278	2.676	10	40	JFCB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)NN(c2ccccc2)C1=O	2241275	WNVLUQVKDFGAJW-SKCUWOTOSA-N	477.524	2.727	10	40	JFCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S	8821639	JHUFYBKGNWDJFL-MSUUIHNZSA-N	454.485	2.900	10	40	JFCB	
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O	15276099	RWNPWOPGEUVXLG-AJGMTHFWSA-N	468.506	2.729	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc(Br)c1O	12438483	IBQCSZKQOZKAGC-DKBJHAQFSA-N	464.384	2.552	10	40	JFCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCCC3)ccc21	13007919	LCFZPFJDLCAKFX-NRFANRHFSA-N	450.539	2.690	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	101109084	GWJAOQAKPSEVCV-YMFQVDJJSA-N	460.490	2.625	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@@H](C)C(=O)O	409020866	UWXJHRGAOYZXDH-KNGSKEOJSA-N	454.504	2.995	10	40	JFCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCO4)N3CCCCC3)ccc21	13007917	LCFZPFJDLCAKFX-OAQYLSRUSA-N	450.539	2.690	10	40	JFCB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc(Br)ccc2O)CC1	19889707	QFIIHPJZQBSGBX-UHFFFAOYSA-N	456.318	2.569	10	40	JFCB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2	225583574	KWAWSUDVJACEOH-UHFFFAOYSA-N	473.595	2.921	10	40	JFCB	
COC(=O)COc1c(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cccc1OC	408526263	AIELOGNKTQXRMM-NTEUORMPSA-N	464.546	2.855	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(NCCOC)nc3ccc(C)cn3c2=O)SC1=S	8834828	GBBBZRUCCCYFII-VBKFSLOCSA-N	462.597	2.689	10	40	JFCB	
CCOC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCC)C2=O)SC1=S	9367606	BUWDKWMZOCIINT-BUHFOSPRSA-N	490.650	2.605	10	40	JFCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	9607492	FMULHKOFKWIWRY-UHFFFAOYSA-N	451.976	2.699	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	41107973	SVHQLMVUYLZRPI-OOBSADONSA-N	495.546	2.686	10	40	JFCB	
COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(I)cc4)C3=O)CC2)cc1	100952693	QRCGBLKXNRJTEF-IBGZPJMESA-N	491.329	2.754	10	40	JFCB	
C[C@@H]1NC(=O)C2(CCCCOCCNC1=O)CCN(C(=O)Cn1c3c(c4ccccc41)CCC3)CC2	643563897	GUQRDSINGLPJJE-FQEVSTJZSA-N	494.636	2.560	10	40	JFCB	
Cc1ccccc1N1C(=O)C(=CNCCN2CCOCC2)C(=O)N(c2ccccc2C)C1=S	19996488	DQAYBBWBTWABMY-UHFFFAOYSA-N	464.591	2.774	10	40	JFCB	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1	8858005	MIDYEDPNWJZGGM-RGEXLXHISA-N	495.605	2.987	10	40	JFCB	
CN1C(=O)/C(=C/c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S	16734049	OSQMFIHRTGFTIV-SXGWCWSVSA-N	452.517	2.866	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C[C@@H]3C(=O)NCCN3C(=O)c3cccc4ccccc34)CC2)cc1	9926437	PUGDZMKBLJOVGV-RUZDIDTESA-N	486.572	2.528	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1C[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC	13404308	ZUKNDEHXGQWAPA-KDURUIRLSA-N	476.489	2.541	10	40	JFCB	biogenic
CC(C)CCN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21	27026585	LAMMDDVKSBNLQX-VLUKHXRESA-N	450.607	2.838	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccccc3OC)c3ccco3)CC2)cc1	56946198	JEHULUDEJKLGBJ-HSZRJFAPSA-N	492.576	2.593	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	227142247	KAAOTIJMRYFMMU-QTDDQOEGSA-N	451.523	2.533	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	408616739	ATSSQFSQXIZWKH-MRXNPFEDSA-N	482.002	2.763	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(I)c1O	1202937	GLUFOPBPKNOPQE-MDWZMJQESA-N	450.232	2.857	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)cc1C	409259926	HWBXDJMDWYKIKB-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2	16033905	RLUGXWLFCZJFNM-IGGVYQGESA-N	489.572	2.956	10	40	JFCB	
CCOc1ccc(N2C(=O)/C(=C/Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)NC2=S)cc1	100790038	LYYRIKBASKHCNG-XMHGGMMESA-N	477.546	2.627	10	40	JFCB	
COc1ccc(N2CCN(c3ncc(S(=O)(=O)c4ccc(C)c(C)c4)c(N)n3)CC2)cc1	33301939	UQNZKCGHBJZHNL-UHFFFAOYSA-N	453.568	2.844	10	40	JFCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc21	41091532	UIHVEIHIPREPKA-QFIPXVFZSA-N	474.494	2.918	10	40	JFCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Cl)c3)C2=O)cc1OC	409224278	JREMGHLSRXEYEN-OQLLNIDSSA-N	487.896	2.668	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCN(C)CC3)nc12	2372682	YFMVFFBRTAEFEG-JXAWBTAJSA-N	469.636	2.899	10	40	JFCB	
COc1cc(/C=C2/C(=O)N(c3cccnc3)C(=O)N=C2O)cc(I)c1O	16195046	XXUFZRPLKQTTPE-VZUCSPMQSA-N	465.203	2.907	10	40	JFCB	
CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1N1CCN(c2ccc(OC)cc2)CC1	17297334	XDUNZDVVJFQCAK-UHFFFAOYSA-N	452.486	2.884	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1C	409004616	AVGLUCHSSRLWLS-UHFFFAOYSA-N	451.479	2.845	10	40	JFCB	
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1	20035162	GJCCZGMWPGJVRZ-BOPFTXTBSA-N	488.319	2.818	10	40	JFCB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc3c(c2)CCN3C)CC1	22734396	NSCMFQMJXMXHET-JOCHJYFZSA-N	489.542	2.741	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	33457574	MYWAZGRKAALHOE-LIFNGZQPSA-N	487.475	2.620	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409263312	MBNZAXOUSVYIKE-UHFFFAOYSA-N	457.870	2.814	10	40	JFCB	
CCOC(=O)[C@H](C)Oc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O	33710085	NURLFHWTZGROQT-DZBQEORWSA-N	485.493	2.556	10	40	JFCB	
O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1	13948178	OYYMBWPUJCIKMQ-UHFFFAOYSA-N	453.552	2.749	10	40	JFCB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	16740725	OCEHVAJEUUVYQC-UBXANZILSA-N	451.523	2.613	10	40	JFCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)/C=C/c2ccccc2)CC1	20058126	IOCBDBQBMZRLSN-KCHOLMDKSA-N	488.548	2.648	10	40	JFCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	106694183	HUELSAXADGLAPE-UNOMPAQXSA-N	470.507	2.897	10	40	JFCB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccc(C)c(C)c4)C3=O)cc21	408535498	SWXNHTSPEUURCJ-FOWTUZBSSA-N	492.492	2.947	10	40	JFCB	
CCOC(=O)COc1c(I)cc(/C=C2\SC(=S)NC2=O)cc1OC	409345418	LWDJNEVFRRARJV-WDZFZDKYSA-N	479.317	2.731	10	40	JFCB	
CCCNC(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1	643589522	VWDKNFGENSRBPM-UHFFFAOYSA-N	467.610	2.851	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3c(F)c(F)c(F)c(F)c3F)nnc2n1	3269302	ITUREIPYUDOKBY-UHFFFAOYSA-N	462.408	2.809	10	40	JFCB	
COc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(OC)cc3)CC2)cc1	13504455	HQYZOLHXBWVUCY-ZEQRLZLVSA-N	464.570	2.781	10	40	JFCB	
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@H]3c2ccc(O)c(O)c2)cc1	13574804	DJSBVIBSRMWZNU-QHCPKHFHSA-N	477.517	2.980	10	40	JFCB	
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1	16134533	FCCVOPUECMGCHS-WOJBJXKFSA-N	487.622	2.593	10	40	JFCB	
COC(=O)[C@@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33658632	DNXDVICNEGPEMU-ZEVOCZHWSA-N	490.266	2.759	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@H](C)C(=O)NCC(C)C)cc3)CC2)cc1	408601693	GMKFJYNCINOOHH-LJQANCHMSA-N	475.611	2.746	10	40	JFCB	
COc1ccc(N([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	13671005	HWBNMKGKNGWCTM-INIZCTEOSA-N	482.002	2.656	10	40	JFCB	
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	21887125	URAUXXFMTQXWGH-JOCHJYFZSA-N	487.000	2.859	10	40	JFCB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-]	408662102	MVLMGAXXBYUPHS-VWPQPMDRSA-N	491.500	2.947	10	40	JFCB	
CCN(C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	54360661	DRTLIBISZWOUMG-WJQTUHTMSA-N	459.014	2.577	10	40	JFCB	
Cc1cc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)c(C)n1-c1ccccc1	9129789	MXDNGWQCRYCPSA-UHFFFAOYSA-N	489.561	2.603	10	40	JFCB	
CCOC(=O)c1c(C)sc(-c2c(-c3ccc4c(c3)OCCO4)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O	12413802	CBMSHWXFGRUYCO-UHFFFAOYSA-N	469.475	2.902	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(I)c1OC(C)C	408919026	RTPKKZPFHYHPAN-IZZDOVSWSA-N	474.320	2.734	10	40	JFCB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	16740726	OCEHVAJEUUVYQC-YMFQVDJJSA-N	451.523	2.613	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1	39659196	OOQVICZZNXVFCO-DEOSSOPVSA-N	467.566	2.650	10	40	JFCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCN(c2ccc3c(c2)OCO3)CC1	408551957	PRRQGJPCFNXSQL-PTNGSMBKSA-N	488.928	2.662	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3cnc4ccc(Br)cc4c3=O)CC2)cc1	25487065	MKGNYMBRTWTMGA-UHFFFAOYSA-N	457.328	2.516	10	40	JFCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084434	CHGNWOMJQWEICS-WSYITQDSSA-N	452.452	2.764	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[C@H](O)CNCCN2CCOCC2)c2ccccc12	101347655	AQGKWSHRAOAESH-OTZYPNAKSA-N	487.604	2.730	10	40	JFCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C	408533224	OGTFHUYXUOFSJK-JXAWBTAJSA-N	464.501	2.571	10	40	JFCB	
C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O)C(=O)O	409190030	UWFKXLHXHOWVJF-ZRRZQRFHSA-N	459.252	2.967	10	40	JFCB	
Cc1c(N/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	9354910	MVTYQULOONGDPT-ATVHPVEESA-N	467.938	2.882	10	40	JFCB	
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1	16157495	GBKGDBTZTPKXOO-GZTJUZNOSA-N	488.319	2.818	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)OC	408777116	VMFUJKLZOQXWSE-MHWRWJLKSA-N	458.854	2.957	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1F	22735169	MVFJAKPPOCPFDM-DEOSSOPVSA-N	467.589	2.560	10	40	JFCB	
O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1)c1ccc(Cl)cc1	224265259	LOSZIAFUCYYVKO-UHFFFAOYSA-N	493.998	2.759	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(C)n1-c1ccccc1	9468339	PEHRLELWKGWZMJ-VWLOTQADSA-N	469.505	2.720	10	40	JFCB	
COc1cccc(Nc2cc(N3CCN(CCO)CC3)c(N)c3c2C(=O)c2ccccc2C3=O)c1	13592196	POAFSMQTPKMCAM-UHFFFAOYSA-N	472.545	2.911	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	13632688	CUBHNDZZTQAXPZ-UHFFFAOYSA-N	463.987	2.891	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)CC2)cc1	16217038	NCCVIZIDAREQBG-UHFFFAOYSA-N	473.595	2.644	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(Cl)c1	20801712	ZFQNTIITBOPIRF-LEWJYISDSA-N	470.957	2.877	10	40	JFCB	
C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21375660	GNUKECNNIHUABW-CYBMUJFWSA-N	482.448	2.872	10	40	JFCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1	112297839	XUCMKAQGVSVLMI-JCMHNJIXSA-N	475.465	2.886	10	40	JFCB	
COc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	9310480	IFUUOYUPNQHTTH-LICLKQGHSA-N	458.517	2.999	10	40	JFCB	
COc1ccc(N2CCN(Cc3c(O)occ(CN4CCN(c5ccccc5)CC4)c3=O)CC2)cc1	101373178	FQWYCRVLXMJIDP-UHFFFAOYSA-N	490.604	2.998	10	40	JFCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	32109805	IUOWWDZASBZQDH-BMJUYKDLSA-N	450.454	2.609	10	40	JFCB	
Cc1ccccc1N(CCCC(=O)NCc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O	223998852	YJLBBWNUYHLULS-UHFFFAOYSA-N	458.628	2.609	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409083005	ULXZYEHSSQPMRD-UHFFFAOYSA-N	478.826	2.872	10	40	JFCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	111506846	RJWQJAIYCVYHMR-LFIBNONCSA-N	456.842	2.751	10	40	JFCB	
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1c3c(c4c(c5c3N2[C@@H]2C=CC=C[C@@H]52)C(=O)NC4)[C@H]2C=CC=C[C@@H]21	242592275	OPNVIWNLUNKLDK-AGOVLPNUSA-N	470.573	2.806	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(I)o3)C(=O)NC2=S)cc1	6645245	HTXVNXQQRNJKBM-WQLSENKSSA-N	454.245	2.724	10	40	JFCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc1	9057650	VPRVLYYDHRHPLE-YBEGLDIGSA-N	454.435	2.556	10	40	JFCB	
Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735253	HEZRUWWHKDSJQK-DEOSSOPVSA-N	463.626	2.729	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409252712	UYRDAKXSMUIGCX-UHFFFAOYSA-N	473.938	2.897	10	40	JFCB	
Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1/N=N/c1ccc(S(=O)(=O)O)cc1	4522867	NPWGMYKQRGYORG-VHEBQXMUSA-N	487.493	2.578	10	40	JFCB	
COc1ccc(OC)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1	13007860	DGFJCMBHTNYBFA-HSZRJFAPSA-N	466.582	2.978	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1	20283464	BHAHFZGQOUAVSD-HSZRJFAPSA-N	450.539	2.689	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409219164	JWIYZHMVEQGMIP-UHFFFAOYSA-N	473.938	2.979	10	40	JFCB	
CCCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	9272360	ALXMVTFLUCQRRY-PEZBUJJGSA-N	462.597	2.507	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(I)cc3)C2=O)cc1	100986965	YVXFQXBLLAUICV-GDNBJRDFSA-N	463.231	2.879	10	40	JFCB	
COc1ccc(Br)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1	223981437	YXLLHPXSBPDKDF-UHFFFAOYSA-N	454.390	2.688	10	40	JFCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409003975	MYBVRMAIHZUGHR-UDWIEESQSA-N	465.506	2.863	10	40	JFCB	
CCOc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(Br)c1OCC(=O)OC	409351205	ZGCSUBJKCSOMOX-WUXMJOGZSA-N	490.353	2.685	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	27519476	CVQVXVRJZLJKGX-UHFFFAOYSA-N	456.367	2.738	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)cc1	920958	ZAZWCEDQFAIRBV-UHFFFAOYSA-N	493.651	2.627	10	40	JFCB	
Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	6148067	VBUDPTVRTZMGLR-UHFFFAOYSA-N	474.608	2.824	10	40	JFCB	
COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	8440466	ALOVPITWHAQIQK-CYVLTUHYSA-N	498.561	2.757	10	40	JFCB	
COc1c(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2	9046220	CTNCPPCSUYJRJE-PDGQHHTCSA-N	465.462	2.951	10	40	JFCB	biogenic
COc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1	9310552	NJGOVQSIGUTPDI-LICLKQGHSA-N	458.517	2.999	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S	2360641	RNTVAJVTYBBFMY-SUCHYCSPSA-N	457.625	2.754	10	40	JFCB	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	13670641	WPWDJFCLJYZLEN-MRXNPFEDSA-N	451.976	2.648	10	40	JFCB	
Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)cc(=O)c2c1	15831156	RPAQZYQOHCLTME-IBGZPJMESA-N	454.548	2.997	10	40	JFCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1	41077695	SOZRQWFOHFMQSM-CSCXBHOMSA-N	457.537	2.724	10	40	JFCB	
O=C(Nc1nnc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1)c1ccccc1Cl	224925271	BGJQVYNVHOCBBW-UHFFFAOYSA-N	493.998	2.759	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	2379437	DCTLBZAGFTUKRX-XYSGSMRZSA-N	466.881	2.662	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	2379444	DCTLBZAGFTUKRX-WPNIOXTASA-N	466.881	2.662	10	40	JFCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OC	409373033	PSUMAARDSKXJIG-QPEQYQDCSA-N	496.257	2.954	10	40	JFCB	
CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1	21887026	WFXTWXDMMVXDQJ-XMMPIXPASA-N	466.582	2.596	10	40	JFCB	
COCCCN1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	27016465	OFYYIWLNOYWOBK-JDPRVQSZSA-N	488.635	2.854	10	40	JFCB	
COc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)o2)c([N+](=O)[O-])c1	41084420	KOYLPMHJTQRACD-HUHIGAQKSA-N	482.478	2.772	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	408542332	KTMHWGOXLUZTIZ-UHFFFAOYSA-N	463.490	2.650	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccc(OC)c(OC)c4)CC3)CC2)cc1	408970562	BKLQWDBXRLYBGS-UHFFFAOYSA-N	467.566	2.913	10	40	JFCB	
COCCN1C[C@H](O)C(C)(C)COCCC[C@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC1=O	1534609716	KAAKULQDBRCLRY-HFMPRLQTSA-N	478.630	2.599	10	40	JFCB	
COC(=O)c1ccc2c(=O)n(CCCN3CCN(c4ccc(OC)cc4)CC3)c(S)nc2c1	16840499	GEFQOKOZZKIBAF-UHFFFAOYSA-N	468.579	2.693	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c(Br)cc1O	36613166	YSAKWUUHNNPDOL-IWKZGAEBSA-N	476.326	2.683	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(I)c1OCC(=O)O	98086455	NCTUWDVDTGHTRU-YHYXMXQVSA-N	465.290	2.594	10	40	JFCB	
CCN1C(=O)/C(=C/c2cc(OC)c(O)c(Br)c2Br)C(=O)NC1=S	409392326	PAGHYIWEXAFOQI-QPJJXVBHSA-N	464.135	2.572	10	40	JFCB	
COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccccc1Cl	57414979	VUMBHZDFEFEENP-JOCHJYFZSA-N	470.957	2.952	10	40	JFCB	
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1	12507893	OJXRSOGKKOSAOS-UHFFFAOYSA-N	463.512	2.787	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCCC1	16021257	QYXPJYWPGHOFPM-TXDLGXNGSA-N	479.508	2.533	10	40	JFCB	
Nc1ccc2c(NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)c3ccc(N)cc3nc2c1	247694732	YWYQMAHVCTUSQN-AWRGLXIESA-N	493.637	2.806	10	40	JFCB	in-vitro
COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408763161	NSMXFYGGZLYORL-XNTDXEJSSA-N	473.279	2.976	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(-c4cccc(C)c4)c(=O)c4sccc43)CC2)cc1	67217890	DDSCLEHCPKMFMW-UHFFFAOYSA-N	490.585	2.880	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCCO4)C2=O)ccc1OCC(N)=O	98002432	ZJCPJANGZWCVOO-GIJQJNRQSA-N	458.517	2.736	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504522	CZFLYUJIDBTXQF-REWPJTCUSA-N	452.534	2.911	10	40	JFCB	
Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1	22735020	XIENIVUKYFUYNV-RUZDIDTESA-N	463.626	2.729	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cc(F)c(F)cc1Cl	408731329	JUOKBKYGCZFBGC-UHFFFAOYSA-N	452.822	2.760	10	40	JFCB	
COc1cc(N2CN=c3s/c(=C\c4cccc(Br)c4)c(=O)n3C2)cc(OC)c1OC	2337662	PGYDEBOSRSFHCS-LSCVHKIXSA-N	490.379	2.582	10	40	JFCB	
CC(C)CN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	19902903	FAVMAQDOUSMLPF-JXAWBTAJSA-N	487.651	2.686	10	40	JFCB	
Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1	408530062	KYPSVVPQZBVFHA-JLHYYAGUSA-N	498.337	2.835	10	40	JFCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC	408773649	SMKHEAHRHAYPEG-OVCLIPMQSA-N	458.854	2.875	10	40	JFCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCCO)nc4ccccn4c3=O)SC2=S)cc1	8951620	HTELVBYMMUKMHR-CYVLTUHYSA-N	496.614	2.941	10	40	JFCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2C)cc1	13129502	ILQHWXJCKBYRPY-IOMROCGXSA-N	492.528	2.946	10	40	JFCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c1C	408536341	WEINGJHVXMMFHX-GXDHUFHOSA-N	498.337	2.835	10	40	JFCB	
COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	408788115	BCZSIMREKIXSAG-MHWRWJLKSA-N	473.279	2.976	10	40	JFCB	
COc1cccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1OCC(=O)Nc1ccc(C)cc1	408904269	HIKQPCLWBLCKHV-UHFFFAOYSA-N	453.520	2.620	10	40	JFCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	409190070	VPEJPGMRTRSUGX-LDADJPATSA-N	462.443	2.915	10	40	JFCB	
CCCCn1c(N)c(N(C)C(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)c(=O)[nH]c1=O	9245218	HOZBNDLENRFVJK-ZHACJKMWSA-N	474.924	2.882	10	40	JFCB	
COc1ccccc1C(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	9284279	GBISABPBGGASGI-UHFFFAOYSA-N	464.474	2.987	10	40	JFCB	
COCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S	16732706	CDRPLSYRSBBPGA-VXPUYCOJSA-N	467.572	2.567	10	40	JFCB	
CC[C@H](c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccc(OC)cc2)CC1	57671686	YWWUJHJVUAPLKJ-JOCHJYFZSA-N	470.599	2.695	10	40	JFCB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	231643522	XUDDVVIZLWWTEK-QTDDQOEGSA-N	467.591	2.868	10	40	JFCB	
C[C@H](C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)N1CCN(C(=O)[C@H]2CCCO2)CC1	13069604	JGQRCKCFQHUBLC-IVZQSRNASA-N	495.963	2.766	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1cccc(Br)c1	9250599	UAXGUNNHXYDEGY-UHFFFAOYSA-N	476.327	2.913	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OCc1ccccc1	20205790	FPDATRANRDUENQ-HUHIGAQKSA-N	470.532	2.895	10	40	JFCB	
Cc1ccc(NC(=O)CNC(=O)CN2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1	35673292	PDKSNOWYECCVED-GIJQJNRQSA-N	469.544	2.680	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OC(=O)c1ccccc1	408893293	DPBOOTVEKVALRY-UHFFFAOYSA-N	459.252	2.816	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(C)cc1C	409254129	CUTZKSIQAQFVIV-UHFFFAOYSA-N	453.520	2.634	10	40	JFCB	
COc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC	824607	OYCSETSBHCJPRB-NTEUORMPSA-N	450.232	2.770	10	40	JFCB	
COC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)CC1	8765971	AEOBLICEEIIXSB-UVTDQMKNSA-N	484.397	2.561	10	40	JFCB	
COc1cccc(N2C(=O)N=C(O)/C(=C/c3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)c1	9046141	MIODINXBXQQPIH-UNOMPAQXSA-N	495.488	2.960	10	40	JFCB	biogenic
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccccc1OC	15018806	USNUNOAFFCTODA-UHFFFAOYSA-N	483.546	2.710	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Cc1cccc(F)c1	408867326	KKUJZICDAKONFG-UHFFFAOYSA-N	496.301	2.944	10	40	JFCB	
COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O	409230182	CFFUYSMNYVSYJI-CPNJWEJPSA-N	450.495	2.835	10	40	JFCB	
Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(C)n1-c1ccc2c(c1)OCO2	9120418	QAXGIXGGTFKWDD-UHFFFAOYSA-N	459.458	2.959	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1	408560840	QIOFVRJFMSXZLS-HXUWFJFHSA-N	487.622	2.843	10	40	JFCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccc(C)cn3c2=O)SC1=S	2712505	XYMSIQCONOLXDP-LGMDPLHJSA-N	457.625	2.756	10	40	JFCB	
COc1ccc(OC)c(-c2c(C)c3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)c1	20612202	KGIMKFXANMYPIM-UHFFFAOYSA-N	454.523	2.601	10	40	JFCB	biogenic
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1	22733957	NHFUSVCYBJHAHW-QFIPXVFZSA-N	454.596	2.529	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(OCC)cc3)SC2=S)CC1	12223374	OGMXNBFTVGIMLP-SDXDJHTJSA-N	477.608	2.977	10	40	JFCB	
CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1	13007357	DZSUBYINGZNSAA-DEOSSOPVSA-N	450.583	2.931	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	225547592	LNWADFDEUVKIJA-IBGZPJMESA-N	478.014	2.894	10	40	JFCB	
C[C@H](NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1	408670799	YFHQVAROCCVEOR-QGQQZZQASA-N	460.530	2.970	10	40	JFCB	
COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC	408946748	AXMYRGOMENKNIX-LFYBBSHMSA-N	475.251	2.861	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCOCC3)ccc21	21887112	HBGYIIYXNLNQAE-HSZRJFAPSA-N	471.001	2.528	10	40	JFCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1	22078874	ZEZFIUFBKKFHQM-RCCKNPSSSA-N	482.512	2.899	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC	409408123	PIAUKNLNEVQTDN-JYRVWZFOSA-N	450.232	2.770	10	40	JFCB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O	10113185	HIWLJGFKDRTXHO-UHFFFAOYSA-N	476.555	2.676	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(C)cc4)CC3)CC2)cc1	24609406	AIYNNYHPXMIRAV-UHFFFAOYSA-N	471.623	2.894	10	40	JFCB	
NC(=O)COc1cccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)c1	96114716	UQVFPWIGSKKCML-HNNXBMFYSA-N	489.436	2.882	10	40	JFCB	biogenic
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)cc1	409127168	GTJQAEOGZZXKPB-QGOAFFKASA-N	455.511	2.892	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)ccc1OCC(N)=O	13547165	CDANDNJNPLWNSU-LSCVHKIXSA-N	458.517	2.689	10	40	JFCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(I)o2)C(=O)NC1=S	9763377	FXHHXKNOPNUZPN-CSKARUKUSA-N	454.245	2.724	10	40	JFCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C(=O)NC1=S	408966843	OLZCNKVJKFHVEB-DEDYPNTBSA-N	494.598	2.881	10	40	JFCB	
O=Cc1ccc(/N=N\c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1	4583953	BXGFPMHXFNPUKK-HNENSFHCSA-N	452.422	2.972	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8442741	XSDFVFCOCZQLOY-FGGAIWKESA-N	492.557	2.773	10	40	JFCB	
CC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O	408532677	ITILHVCVPNBGEY-GDNBJRDFSA-N	476.226	2.883	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccc(Cl)cc1	409218583	GJKKVVYBZGINHE-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1COc1ccc(NC(C)=O)cc1	2289767	VILFWGXUFBPGAA-UHFFFAOYSA-N	453.520	2.831	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104214160	VGMJLSSBYDZHOD-WWDJGNSZSA-N	463.479	2.788	10	40	JFCB	
CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	108036793	LFKAKKCDHFWOEH-DHDCSXOGSA-N	490.266	2.761	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409257588	QXFLSDOPLWHMBE-UHFFFAOYSA-N	473.938	2.897	10	40	JFCB	
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)O	409188669	JKHDOAASZGACCI-HGLKBHAMSA-N	459.252	2.967	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCOCC3)C2=O)cc1OC	8819958	PKZUIIULQZJWQM-CYVLTUHYSA-N	479.624	2.829	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cc3csc(NS(=O)(=O)c4ccccc4)n3)CC2)cc1	9828681	SSQITQQTHVGEEW-UHFFFAOYSA-N	472.592	2.844	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)cc1	225478054	UWRJXGLLDCPILJ-UHFFFAOYSA-N	457.596	2.549	10	40	JFCB	
CCN1C(=O)/C(=C/c2cc(Br)cc(I)c2O)NC1=S	409006826	MAGCMVRFWBWYPE-WTKPLQERSA-N	453.099	2.837	10	40	JFCB	
CCOc1ccc(N([C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)S(C)(=O)=O)cc1	916693	BIAQFDXLWURDLI-SFHVURJKSA-N	461.584	2.597	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)c1	13590375	YQVVXCLQZLWDLL-HKWRFOASSA-N	468.535	2.748	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3(c4ccccc4F)CCOCC3)[C@@H](C(=O)N(C)C)C2)cc1	257262082	LJZIFNOJZVPIJA-HSZRJFAPSA-N	469.557	2.688	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409044200	UFMXLZNTFAPMQH-UHFFFAOYSA-N	459.911	2.671	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@H]1CCCO1	409197565	IUAYKTUUTVSKPQ-HRYJJRBTSA-N	451.479	2.675	10	40	JFCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)CN3CCCCCC3=O)c2C)c1	11385069	LIJDIGRUCIBSSN-UHFFFAOYSA-N	498.532	2.796	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1	13615029	XHGZSHIOOZBRLM-ATVHPVEESA-N	483.531	2.831	10	40	JFCB	
O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1Cl	409252189	CNFIQLWVDINSEZ-UHFFFAOYSA-N	478.686	2.869	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1	22928945	XPWQOHWIXFFFGM-JWQCQUIFSA-N	461.614	2.825	10	40	JFCB	
CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21	225866735	VXVTVVBUSOQCKO-UHFFFAOYSA-N	456.568	2.995	10	40	JFCB	
COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408727284	PNUWEXRWRZUWTP-UHFFFAOYSA-N	456.367	2.738	10	40	JFCB	
CN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	10383407	XSMFVJGYZYYOCW-UHFFFAOYSA-N	463.515	2.896	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC	15010434	BNBYAVAFTVLQPA-DHDCSXOGSA-N	460.895	2.732	10	40	JFCB	
O=C1C[C@@H](N2CCN(c3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Br)cc1	22001906	UUPDXTRFTNESQH-QGZVFWFLSA-N	458.312	2.632	10	40	JFCB	
COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4ccccc4OC)CC3)c(F)cc2S1(=O)=O	33140737	JXNWPPPESIMLRQ-UHFFFAOYSA-N	487.553	2.931	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2OC)C(=O)N=C1O	102588322	PYDQFXQMVZWLJO-ZUTYSQTGSA-N	462.462	2.857	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)C2=O)cc1	408527111	FACCWSLSFZHVEM-DEDYPNTBSA-N	496.479	2.605	10	40	JFCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCOCC3)C2=O)c(C)c1	408534345	QLNDDFVQOZBFIS-FOWTUZBSSA-N	490.520	2.609	10	40	JFCB	
CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)CC1	409346272	LZDBIYNAYSRRQT-UYRXBGFRSA-N	474.539	2.726	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CNC2=NS(=O)(=O)c3ccccc32)c(C)n1-c1ccc(F)cc1	3309537	WBNHALNFBSDZSF-UHFFFAOYSA-N	469.494	2.698	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)c(OC)c1	10958952	BQTIELRVKRIPGX-UHFFFAOYSA-N	460.442	2.857	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104204068	YWVNIDGLQZUIQQ-SVPNMLMASA-N	492.521	2.800	10	40	JFCB	
O=C1/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	8858025	YMJSJYZRSPBJMO-LVRDFQQOSA-N	472.592	2.666	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(N)=O	409225441	PTIZKXHDBIGVQN-NTUHNPAUSA-N	478.288	2.923	10	40	JFCB	
COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(C)cc1	51318383	NUYYCKQBJQYSIA-HSZRJFAPSA-N	450.539	2.607	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C	100769907	MKMRDUMDZQWTKD-NTCAYCPXSA-N	451.870	2.717	10	40	JFCB	
COC(=O)/C=C1/SC(N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)=NC1=O	1415541	WSMMLCYJKDBJJC-KDHUCADRSA-N	478.246	2.796	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(CCc5ccccc5)c(=O)[nH]c4c3)CC2)cc1	4766510	VUZHAPILIDHKSO-UHFFFAOYSA-N	484.556	2.904	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC	8819429	ZQGAWLCAMDICEX-MOSHPQCFSA-N	472.588	2.926	10	40	JFCB	
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1cccc2c1C(=O)c1ccccc1C2=O	8826345	BWIITEAJORYDPZ-UHFFFAOYSA-N	454.482	2.968	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O	408935294	CNQXEIUPRCRNST-WUXMJOGZSA-N	462.212	2.738	10	40	JFCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2cc([N+](=O)[O-])ccc2O)C1=O	16282417	LNHVHCFXLAHOKC-WQLSENKSSA-N	461.228	2.950	10	40	JFCB	
Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C[C@@H]1CCCO1	16957376	FSJGEOUUJFAVIY-FVHJOOJJSA-N	485.606	2.822	10	40	JFCB	
CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	17028012	RWDICRJTVGAJFP-RSOWOLOUSA-N	469.925	2.513	10	40	JFCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccccc1	20206225	QNJXDUAUJVYKFH-PMOKRTJVSA-N	498.542	2.926	10	40	JFCB	
COc1ccc(O)c([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@H]23)c1	8869219	GMOYMGBNMQFJKA-UKDJSQQHSA-N	468.506	2.729	10	40	JFCB	
COc1ccc(N2CCN(c3cc(NCCO)c4c(c3N)C(=O)c3ccccc3C4=O)CC2)cc1	8971744	FKWBSRDNZVEHOT-UHFFFAOYSA-N	472.545	2.784	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)c1	13647038	SUGLSABECVHJGT-UHFFFAOYSA-N	471.501	2.624	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	13669469	RUYWTTJESDTMDG-UHFFFAOYSA-N	457.596	2.936	10	40	JFCB	
Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C[C@H]1CCCO1	33592452	FSJGEOUUJFAVIY-RXULLKCLSA-N	485.606	2.822	10	40	JFCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408656604	FWBZMIZBSVMSFI-NJYVYQBISA-N	477.473	2.639	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409049521	WBISSPFXRXDWJH-UHFFFAOYSA-N	457.870	2.814	10	40	JFCB	
Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1	16736669	QQKZQVAXUFZTPK-JVDHJZLLSA-N	472.592	2.771	10	40	JFCB	
CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(Cl)c1	408553951	AGLXBCLCOLRIDP-UHFFFAOYSA-N	482.002	2.765	10	40	JFCB	
O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Sc4ncn[nH]4)c(O)c4ccccc34)cc2[nH]1	1893410	HIRCXSRPNGMCML-UHFFFAOYSA-N	454.493	2.785	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(N)=O	409219878	RFCZOQOVBZCBCI-WUXMJOGZSA-N	478.288	2.841	10	40	JFCB	
Cn1c(=O)c2c(-c3ccc(Br)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3	8990166	GWNGTGIWYITORJ-NRFANRHFSA-N	498.333	2.999	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	9806055	VGIIEOXCXGKTHS-QFVBLGFASA-N	477.586	2.873	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccc(F)cc4)CC3)CC2)cc1	24609840	CTIQKFUNARXXEN-UHFFFAOYSA-N	475.586	2.725	10	40	JFCB	
CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2	16033903	RLUGXWLFCZJFNM-GXCDUKDASA-N	489.572	2.956	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCCN(c3ccccc3OC)S(C)(=O)=O)CC2)cc1	223257706	AAVTUTXKVQUAFV-UHFFFAOYSA-N	461.584	2.599	10	40	JFCB	
CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OC	409234716	XPKOZAIENBHVCR-QPEQYQDCSA-N	493.257	2.760	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S	2206347	RXNAXHLDLRCINA-LQXHQAILSA-N	488.635	2.936	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc(Br)c1O	12438485	IBQCSZKQOZKAGC-TXEUWIOXSA-N	464.384	2.552	10	40	JFCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	12627502	VIXMXOSUDRTALL-UHFFFAOYSA-N	470.620	2.853	10	40	JFCB	
CCCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=CSC5=NC4=O)cc3)nc2s1	41076645	LZTLGUNZOMXALU-UJNQTBGZSA-N	479.547	2.931	10	40	JFCB	
O=C(NN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)SC1=S)c1ccccc1	409184018	WEVXUMSFBJGQNO-AQTBWJFISA-N	470.532	2.978	10	40	JFCB	
CCCCn1c(N)c(N(C)C(=O)/C=C/c2cc(C)n(-c3ccnn3C(C)C)c2C)c(=O)[nH]c1=O	13108434	MRZSFIRYIQSMTN-MDZDMXLPSA-N	467.574	2.780	10	40	JFCB	
COC(=O)[C@H](C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21	1565524726	MERWPAHQXDQGCY-FYSMJZIKSA-N	460.534	2.856	10	40	JFCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1	13672849	CHNROHVDBGOLDX-UHFFFAOYSA-N	473.595	2.636	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	100194366	HHSLJRTTWVZYDB-FDIDWWNZSA-N	467.279	2.997	10	40	JFCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S	1481329	QBUYASLXEHBUHY-ARSNJYAISA-N	457.625	2.836	10	40	JFCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccco4)cc3)C(=N)N21	15936878	QICDQQYTFRMROR-OIQQPNLJSA-N	472.504	2.899	10	40	JFCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1ccc(C(=O)O)cc1	409193634	IFNXNWLQALBARD-LDADJPATSA-N	461.455	2.705	10	40	JFCB	
NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1	409220143	UTIRNOOXFUHWTC-HMAPJEAMSA-N	471.469	2.796	10	40	JFCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)c([N+](=O)[O-])c1	9064483	QHBQTHWTGWAWDZ-UHFFFAOYSA-N	459.484	2.657	10	40	JFCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3ccccc3C)C1=O)n(C)c(=O)n2C	408535647	UCSPPHFIWVUWQC-JQIJEIRASA-N	476.537	2.610	10	40	JFCB	
CC(=O)O[C@@H]1CO[C@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	33858822	VSDDSBSJVSEXOW-VNSJUHMKSA-N	496.468	2.990	10	40	JFCB	biogenic
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409254044	WGRDQIQPQGVPHB-UHFFFAOYSA-N	473.938	2.897	10	40	JFCB	
CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	22734562	GQMMLIDUFYBASN-RUZDIDTESA-N	463.626	2.846	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1	22928947	XPWQOHWIXFFFGM-RPBOFIJWSA-N	461.614	2.825	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	260888548	BIEQCFFEOVRPBQ-NRFANRHFSA-N	457.596	2.549	10	40	JFCB	
O=C(O)CCC(=O)NCCc1c(/C=C2/C(=O)N=C(O)N(C3CCCCC3)C2=O)[nH]c2ccccc12	13811077	CKRZMQXGOZNEOU-JXAWBTAJSA-N	480.521	2.690	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(C)cc1	20674513	BPZVDORBIOAIDR-FGZHOGPDSA-N	450.539	2.532	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCOCC3)ccc21	21887132	TXYGXITZCBPMSV-QFIPXVFZSA-N	456.974	2.851	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	108277110	IMSRRBFPEGKHKV-GDNBJRDFSA-N	492.269	2.695	10	40	JFCB	
Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)C(=O)NC4=O)C2=O)c1C	408534244	PWAIJQJBVOCWIW-RIYZIHGNSA-N	483.278	2.528	10	40	JFCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c1	104287176	XGKAKVSVYODRTF-DMXUOTTPSA-N	481.599	2.704	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3c(OC)cc(OC)cc3OC)C(=O)NC2=S)c(OC)c1	409103673	DXZYYONYIZLYMM-RVDMUPIBSA-N	458.492	2.561	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC(C(N)=O)CC4)c4ccccc34)[C@@H]21	1565524390	LRIXQQMCYGYIGZ-AREMUKBSSA-N	471.561	2.512	10	40	JFCB	
O=C(O)CCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	13749343	PLIIZIOABSEIHJ-WISAJEAXSA-N	496.570	2.516	10	40	JFCB	
CCOC(=O)c1cccc(NC(=O)Cn2nc3c(cc2=O)CN(c2ccc(OC)cc2)CC3)c1	57743757	YKZBPCMBSAOCKA-UHFFFAOYSA-N	462.506	2.630	10	40	JFCB	
COc1ccc(N2CCN(c3ncc(S(=O)(=O)c4cc(Cl)ccc4OC)c(N)n3)CC2)cc1	71771953	AUBQUCZAHVYKPR-UHFFFAOYSA-N	489.985	2.889	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3cccs3)c3ccco3)CC2)cc1	56946086	RFYPBEAPBQCXEL-OAQYLSRUSA-N	468.579	2.646	10	40	JFCB	
O=C(O)COc1ccccc1/C=C1\SC(=S)N(NC(=O)COc2ccc(F)cc2)C1=O	28629050	VKTJZOFAGGNDHP-SXGWCWSVSA-N	462.480	2.601	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1	409045662	GVDGPWSKZJSFOO-UHFFFAOYSA-N	458.268	2.524	10	40	JFCB	
CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1	21887068	YIBRSLMNFWNYQM-XMMPIXPASA-N	450.583	2.760	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1	20530936	KCRAIXDLIBRQTI-DEOSSOPVSA-N	480.565	2.697	10	40	JFCB	
COc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	21887127	URAUXXFMTQXWGH-QFIPXVFZSA-N	487.000	2.859	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@H](C)C(=O)O	409020968	WICPNEBNMBMXCY-NGWPFTMJSA-N	454.504	2.995	10	40	JFCB	
COCCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21	409145611	OPJPYZGGLOLQLV-XSFVSMFZSA-N	466.538	2.589	10	40	JFCB	
COC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cc1	409350522	RRKGNOLPJUUPBP-BOPFTXTBSA-N	458.517	2.793	10	40	JFCB	
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2C(C)(C)CO[C@@H]3c2ccc(O)c(O)c2)cc1	13574800	DJSBVIBSRMWZNU-HSZRJFAPSA-N	477.517	2.980	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cccc(F)c3)CC2)cc1	22698773	SHPRYCADYMPQAL-UHFFFAOYSA-N	480.540	2.966	10	40	JFCB	
Cc1cccc(C)c1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735256	HEZRUWWHKDSJQK-XMMPIXPASA-N	463.626	2.729	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	100787927	MVTYQULOONGDPT-SFQUDFHCSA-N	467.938	2.882	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1	409259257	XTTGNMXOCBAMSV-UHFFFAOYSA-N	457.870	2.732	10	40	JFCB	
CCN1C(=O)C(=Cc2c(C)n(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)C(=O)N(CC)C1=S	5947758	UVGRSQAMBOXTPG-KRWDZBQOSA-N	482.606	2.624	10	40	JFCB	
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22734550	HXSRRIBGEGFCQS-QHCPKHFHSA-N	470.017	2.684	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408966503	MYDTXFJFENGMCE-DEDYPNTBSA-N	480.571	2.573	10	40	JFCB	
C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O)C(=O)O	409190029	UWFKXLHXHOWVJF-BTAWCLGRSA-N	459.252	2.967	10	40	JFCB	
CN1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)CC1	20227398	WZVVRONPZURUKX-RGEXLXHISA-N	461.609	2.951	10	40	JFCB	
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O	2415073	GNHUTMIPNUZRLH-SQFISAMPSA-N	460.581	2.997	10	40	JFCB	
CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1	8494877	JNPMOGCSIZICHE-ALGNWURXSA-N	456.505	2.723	10	40	JFCB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@@H]3CCCO3)c3ccccc23)SC1=S	409140361	RMEKJOWITOFAOB-YLRSXTQRSA-N	459.593	2.784	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1C	9259870	LMUBYQFNJOAYPX-HMAPJEAMSA-N	486.528	2.783	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)c1	408966349	LZCUMAXCOXGAQG-FYJGNVAPSA-N	478.530	2.716	10	40	JFCB	
C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc2c(c1)OCCO2	10959408	WBLWRRAOFPEAMA-ZDUSSCGKSA-N	472.453	2.999	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)c(C)c4)C3)CC2)cc1	585284694	ZARSXQDCEVQVRD-AREMUKBSSA-N	474.573	2.616	10	40	JFCB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc3c(c2)CCCN3C)CC1	22735129	KKESZWLMAZDCSA-HSZRJFAPSA-N	488.007	2.905	10	40	JFCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	409003070	CWGRAXPIFBOVKO-UDWIEESQSA-N	465.506	2.924	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8442738	GYJMRPOWLSJWTA-GOOXQAOHSA-N	490.629	2.930	10	40	JFCB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4O)N[C@@](CC(C)C)(C(=O)O)[C@@H]3C2=O)cc1	8868176	IBNFKPAXQRFICF-AIFLQVKLSA-N	468.506	2.729	10	40	JFCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=N)N21	20207365	XYUYVAXQQWWZQT-UZVPZDMXSA-N	484.401	2.915	10	40	JFCB	
CS(=O)(=O)Oc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl	41084291	SMMJWRWYFVZRCM-AYYHGXMZSA-N	461.912	2.741	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(I)cc1	408768481	XBYBLQZNQBNDOQ-UHFFFAOYSA-N	478.242	2.628	10	40	JFCB	
Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1=O	408960291	KUDPIHFSFOWLGX-ULJHMMPZSA-N	489.576	2.963	10	40	JFCB	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC	4030187	RGRIZZNPKBFILA-IBGZPJMESA-N	462.568	2.608	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	9309875	FYHVLIOHMZQAMS-RQLGBQGVSA-N	491.569	2.593	10	40	JFCB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br	9311208	UIJNNJXANZRWKV-OQLLNIDSSA-N	473.279	2.976	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59418522	HRBIMWAVLSEDBL-PZNLSKEWSA-N	480.590	2.523	10	40	JFCB	
COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O	108917291	YKQAWMOBDAPOJQ-ZRRZQRFHSA-N	461.268	2.771	10	40	JFCB	
CCN(CC)c1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)CC)cc1	223459935	UCCJGVHBTRYZDZ-UHFFFAOYSA-N	461.584	2.777	10	40	JFCB	
CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)SC1=S	256055722	QSAMZCUPRSSDTJ-GFWHJHDHSA-N	491.616	2.622	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCC3)ccc21	9135553	BRHKGHJRNLCKPN-QFIPXVFZSA-N	464.566	2.732	10	40	JFCB	
O=C1/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1[C@H]1CCS(=O)(=O)C1	40221238	VKYYOLSNNYSFEO-VMOJBDSFSA-N	499.595	2.875	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	1752148	GENOXLNJRSMFSK-ATVHPVEESA-N	477.589	2.573	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CSc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	10010155	XVCOIUFMYNHXFB-UHFFFAOYSA-N	475.636	2.921	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccccc3)CC2)cc1	22246300	LHDCFWLUIDSJEA-RUZDIDTESA-N	479.602	2.934	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1	100334502	OKIZSWHCKYRNIB-IRCXXISZSA-N	493.505	2.696	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(C)c1	20801478	UQGJEWWUIWVJAK-FGZHOGPDSA-N	450.539	2.532	10	40	JFCB	
CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	35374990	GYANDCQRFGDFAY-OCLWDWTOSA-N	469.925	2.513	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(=O)n(-c2ccccc2)n1C	100755261	AYYLRLAUPJVHLB-NTCAYCPXSA-N	467.938	2.882	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br	408916871	HTSGTVBFCNGWKD-ZSOIEALJSA-N	493.310	2.971	10	40	JFCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	13424019	ZSJSANVUFQOECW-HBZGRHIISA-N	465.359	2.680	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3C)C2=O)c(OC)c1	409099672	RXEKLKHJLAZZQJ-CPNJWEJPSA-N	451.479	2.515	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)cc1	16217035	MATTUGLYBOFJEH-UHFFFAOYSA-N	473.595	2.597	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1O[C@H](C)C(=O)O	409010279	BPNTXDUJKILKGN-BTAWCLGRSA-N	489.278	2.976	10	40	JFCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1	409137847	ZDDQQRDDTQGHDZ-DEDYPNTBSA-N	483.546	2.776	10	40	JFCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1	2178836	CDJFXQQVGOIRJT-VAWYXSNFSA-N	479.345	2.676	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1	409066383	OLKMZBIEJOCIIZ-UHFFFAOYSA-N	457.316	2.675	10	40	JFCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(O)c(I)c1	409192957	HOWQARJWFRBQMO-KPKJPENVSA-N	494.266	2.526	10	40	JFCB	
COc1cc(S(=O)(=O)N2CCCCC2)ccc1N/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O	13590377	GKOWMTSZVQWUPN-CYVLTUHYSA-N	498.561	2.757	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O	408945592	WXHDYBJZHTWYOA-NTUHNPAUSA-N	475.251	2.918	10	40	JFCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)cc1	20205727	PMFRSRSTHWQSHR-OIQQPNLJSA-N	472.504	2.745	10	40	JFCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	23080634	JXKDUNKWXRNFOO-JOCHJYFZSA-N	460.644	2.645	10	40	JFCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C(=O)O)ccc3OCC)C2=O)cc1	408837097	YUUQJNQQNRJHPB-SFQUDFHCSA-N	452.419	2.627	10	40	JFCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C2=O)c1	408901576	YXNKGJGKVQBHER-LDADJPATSA-N	450.451	2.715	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc2c(c1)OCCO2	9111746	ZRYXCGQQCDVLFO-UHFFFAOYSA-N	452.488	2.893	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C(=O)O)cc3)C2=O)c(OC)c1	9601514	BUPXEMQMOIHNMI-LDADJPATSA-N	461.430	2.859	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(F)ccc4OC)C3)CC2)cc1	13580830	JXOHXTUFPXXXEZ-GOSISDBHSA-N	491.585	2.592	10	40	JFCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1CN1C(=O)c2ccccc2C1=O	13713343	LKVHREGGTWHGSE-LDADJPATSA-N	461.474	2.752	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)cc1	24715067	UXQPDHWEBTYHGN-UHFFFAOYSA-N	482.537	2.712	10	40	JFCB	
COc1cc(CN/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(OC)c1OC	101212247	ASAGVDYNLBSSET-RVDMUPIBSA-N	490.310	2.731	10	40	JFCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1	12597983	TZINZRMINUULQZ-UHFFFAOYSA-N	480.594	2.509	10	40	JFCB	
COc1ccc(N2CCN(c3cc(=O)n(-c4ccc(Br)cc4)c(=O)[nH]3)CC2)cc1	16953953	FSBPXIMWUCLLRS-UHFFFAOYSA-N	457.328	2.624	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	104878950	RGGHTDNUGBUOLN-UHCBLFSXSA-N	469.925	2.513	10	40	JFCB	
O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c(I)c1	409017621	GBUGLABHGKZTKJ-WUXMJOGZSA-N	468.247	2.967	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409227931	XPXDCZYJDCESEJ-UHFFFAOYSA-N	459.911	2.589	10	40	JFCB	
CC[C@@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O	8870130	XGHBTTNSKURAKG-VNNFYYNHSA-N	466.581	2.911	10	40	JFCB	
CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1	20174520	VDUBOQBUCQLZCK-LVZFUZTISA-N	477.652	2.905	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)C2=O)c1	408739517	CKKVAJROZSIPDJ-WUXMJOGZSA-N	493.213	2.880	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O	408940162	NPZVJNIZWVNINA-WUXMJOGZSA-N	461.224	2.528	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1C	409262628	IJEKDXZQDHETIP-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1	2193903	JXORLWYBOLOLRN-VKAVYKQESA-N	455.609	2.590	10	40	JFCB	
C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)N1CCOCC1	34721103	SEEMGFVLEBPBSM-JWGURIENSA-N	491.544	2.513	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)C(=O)NC2=S)c(OC)c1	409091056	SPGFBROCMWQAPM-RIYZIHGNSA-N	458.492	2.561	10	40	JFCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCC(N)=O)C1=O	409218150	DAUPGVHSLGJRPY-MDWZMJQESA-N	492.713	2.941	10	40	JFCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)c2C)c1	41077684	YSGHHXBOHSDJIR-PRZRADHTSA-N	487.563	2.733	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2	102265963	QDTSFOAJKOQZOF-HDICACEKSA-N	466.490	2.724	10	40	JFCB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O	409237636	KJZDANHDJDQUAV-CPNJWEJPSA-N	479.493	2.525	10	40	JFCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(C)cc3)c2C)cc1	2663794	HMVZILDLQISFEQ-UHFFFAOYSA-N	498.557	2.894	10	40	JFCB	
CN1CCN([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)c2ccc(N(C)C)cc2)CC1	23080619	FTRHHXCGKIRJSQ-RUZDIDTESA-N	456.656	2.898	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	38183308	ANDZYZQBRNAYKO-RGEXLXHISA-N	456.524	2.604	10	40	JFCB	
O=C(O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1O	299888227	AVQNYAVVZFBCKZ-UHFFFAOYSA-N	484.420	2.564	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C2=O)cc1	9311487	ROCXFLMMYOQHKG-BKUYFWCQSA-N	478.530	2.716	10	40	JFCB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	408671580	ZDTANBUYWZKXJU-ONTIZHBOSA-N	492.528	2.748	10	40	JFCB	
CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22735056	KNPYUWQXBAZYSM-VWLOTQADSA-N	479.625	2.511	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	169293608	VDMAGFMETDGXLX-QTDDQOEGSA-N	451.523	2.533	10	40	JFCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)C1=O	408965110	GQDYODAMEPGMEQ-KGENOOAVSA-N	492.557	2.970	10	40	JFCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	1408316	AVZGKJSUAGAJQW-FYJGNVAPSA-N	450.520	2.834	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)O	2905812	WZWHHSADKULTIG-HLVNSREUSA-N	458.467	2.908	10	40	JFCB	
COc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	408654463	BQEDQTNHZDWBMJ-SBHAEUEKSA-N	462.502	2.739	10	40	JFCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	10113652	VAVIYPVFISXUOE-UHFFFAOYSA-N	463.987	2.891	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(OC)c3)C2=O)cc1	408882054	OXMMFRZNEYJELU-CXUHLZMHSA-N	478.242	2.975	10	40	JFCB	
CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	13576292	BYMISFGRUKMVOU-PAXILDSZSA-N	469.925	2.514	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc4nc5n(c(=O)c4c3)CCCCC5)CC2)cc1	13735092	HPPZKSUJFZDDGC-UHFFFAOYSA-N	462.550	2.859	10	40	JFCB	
CC(C)CCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(C(=O)c2ccco2)CC1	19446993	PFNIQOQLEPZMJQ-JOCHJYFZSA-N	451.575	2.926	10	40	JFCB	
CCCCN1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	20267582	QDOKVPCNZULNBJ-VLGSPTGOSA-N	487.651	2.830	10	40	JFCB	
COCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	2379423	YOOVMQPSTUQSLX-GFWHJHDHSA-N	482.587	2.688	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C	21887139	URPMXOHMIWSYFY-XMMPIXPASA-N	450.583	2.814	10	40	JFCB	
Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1	21887163	XTLIHLKMYRRKPM-DEOSSOPVSA-N	450.583	2.814	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	33351338	FNFBQNZSTHCMMI-RGEXLXHISA-N	450.472	2.924	10	40	JFCB	
Cn1c(=O)n(C)c2cc(N3CCCC3)c(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc21	408526339	BAWWGRKIVGWLGX-BUHFOSPRSA-N	494.939	2.709	10	40	JFCB	
COc1ccc(N(CCC(N)=O)CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1	24781528	VQWMYUGFQNRNFP-UHFFFAOYSA-N	464.316	2.549	10	40	JFCB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCc1ccc(N2CCOCC2)cc1	223751500	SHKXZPNHEZHXBO-UHFFFAOYSA-N	487.622	2.565	10	40	JFCB	
Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12	299888245	BIRSOLGVSAACRW-UHFFFAOYSA-N	468.425	2.945	10	40	JFCB	
CCC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O	8870124	XWYNTGQDEDGPGI-XDUBLRSXSA-N	452.554	2.665	10	40	JFCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)ccc1C(=O)OC	103920255	XPTIXSBGSHAOQJ-HMAPJEAMSA-N	495.488	2.920	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	9461067	CTNOOZWFQZTMBJ-YQNUULROSA-N	477.542	2.917	10	40	JFCB	
COc1ccc(-n2c(C)cc(-c3csc(NC(=O)Cn4ccc(=O)[nH]c4=O)n3)c2C)cc1	9655093	KDILAWQMNWMPEO-UHFFFAOYSA-N	451.508	2.715	10	40	JFCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21	23857636	ANNMNUCYSKAUPZ-OAQYLSRUSA-N	476.499	2.826	10	40	JFCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1	408900030	RBBAPQCWUCITTL-ATVHPVEESA-N	456.842	2.751	10	40	JFCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c1OC	409193418	KIKAGJHFUGLXEM-RIYZIHGNSA-N	491.319	2.996	10	40	JFCB	
CCN1C(=O)/C(=C\c2cn(CC(=O)O)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21	8778085	UVUBCCKWMXDMJE-BKUYFWCQSA-N	495.557	2.654	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	9259051	OBEYGVVPOYQCNM-UHFFFAOYSA-N	472.435	2.903	10	40	JFCB	
CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccc(OS(=O)(=O)c4ccccc4)cc3)S2)CC1	9472481	QWGTUUCEPWANLL-HMMYKYKNSA-N	471.560	2.589	10	40	JFCB	
Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)c2C)no1	9712271	GXYWGEBXXOGAPO-ZHACJKMWSA-N	474.521	2.547	10	40	JFCB	
COCCN1C(=O)/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)C(C(=O)OC)=C1C	2078478	LIUCEIGQGBWWAP-UNOMPAQXSA-N	494.953	2.731	10	40	JFCB	
COc1ccc(O)c([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1	4436240	WVCURKQSINRASS-UKDJSQQHSA-N	452.507	2.716	10	40	JFCB	
CCCCn1c(N)c(N(CCC)C(=O)/C=C/c2c(C(=O)OCC)c(C)n(CC)c2C)c(=O)[nH]c1=O	9111992	VKTDRONSBWFNLX-OUKQBFOZSA-N	487.601	2.990	10	40	JFCB	
CCc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)s1	22735586	WTGQBXLGHDOZFK-JOCHJYFZSA-N	462.685	2.960	10	40	JFCB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)cc21	408532936	NEROIVUJAVNGJV-QINSGFPZSA-N	478.465	2.638	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NCc3ccccc3)CC2)cc1	22698798	JNIKDGXYYUPTBN-UHFFFAOYSA-N	476.577	2.504	10	40	JFCB	
COCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1	9574152	QZPWWEWVKDFHKG-UHFFFAOYSA-N	487.560	2.756	10	40	JFCB	
CC(C)N(Cc1ccc(N(C)C)cc1)Cn1nc(C[C@H]2CCS(=O)(=O)C2)n(C)c1=S	40155472	ODBJYTFOUPCGRT-GOSISDBHSA-N	451.662	2.862	10	40	JFCB	
Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br	409260439	QHVHBYKHBBXRMO-UHFFFAOYSA-N	458.268	2.524	10	40	JFCB	
CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1	21152022	INBDPBGPLBNHQL-UHFFFAOYSA-N	454.552	2.519	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2	102129479	ZEKYOWCHMFNGBQ-RTBURBONSA-N	478.501	2.890	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)CC1	8819328	ITHKVEOXNQDUJR-VKAVYKQESA-N	463.581	2.587	10	40	JFCB	
C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O	12381026	AXPXVTXZVICJFY-OKHBPPCESA-N	459.252	2.967	10	40	JFCB	
CCOc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)ccc1OCC(=O)N1CCOCC1	408573772	KKHAOVAGRXFYNM-PDGQHHTCSA-N	450.582	2.933	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)cc1OC	8819480	BWSFUPXLHVZESM-SILNSSARSA-N	493.651	2.524	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc(O)c(OC)c1	15218857	GNYYDPSMTIBIMG-FJWZAKCXSA-N	493.585	2.687	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1C1CCCC1	16025181	JDFJRVPFATXMEC-ZPIFVSINSA-N	481.936	2.657	10	40	JFCB	
COCCN1C(=O)/C(=C\c2ccc(OCC(=O)NC3CCCCC3)cc2)C(C(=O)OC)=C1C	408784199	PGHRQOPMPOSNCJ-QNGOZBTKSA-N	456.539	2.833	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(I)cc2)cc1	408997082	QUQLFTDGEUAVOO-UHFFFAOYSA-N	464.284	2.785	10	40	JFCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O	409101997	CFHUFQKOMGFFAS-WQRHYEAKSA-N	468.485	2.975	10	40	JFCB	
COCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2261094	HZCDORRTIXESGP-DYGKOUCMSA-N	496.614	2.996	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC1=S	8858023	IVITYDXXTLDURX-WIZMWCRPSA-N	474.608	2.913	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccccc3)c3ccco3)CC2)cc1	56945961	MZTRYWFQCMMXAZ-HSZRJFAPSA-N	462.550	2.584	10	40	JFCB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	625773	VTACMIOVQXXBGP-CNSVBDKNSA-N	451.523	2.613	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(OC)c1	9135569	XJABCIBNWKLYKR-QHCPKHFHSA-N	466.582	2.978	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCOCC3)ccc21	16838398	UDCCKUGLFNSJGL-HSZRJFAPSA-N	471.001	2.528	10	40	JFCB	
COCCCN1C(=O)/C(=C/c2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S	8739550	JLCOUPBBRGMYNS-FNBYNPPRSA-N	474.608	2.546	10	40	JFCB	
C[C@@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	8876957	FMTIIYBSUJHCHN-MRXNPFEDSA-N	486.480	2.527	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc2ccccc12	10113358	AKSWHFXSBLWWGA-UHFFFAOYSA-N	453.564	2.759	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccccc1OC	707838	ALOLBYQZCLXGCL-FQWPPLDYSA-N	477.586	2.873	10	40	JFCB	
Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1ccc2c(c1)OCCO2	9790355	AOUYQJHRYRTPKQ-UHFFFAOYSA-N	497.573	2.694	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2\Sc3ccc(Cl)cc3N2C)c(=O)n1C	15946640	IFVOYNVKKQIBBN-CAFBOWOJSA-N	468.991	2.981	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(C)cc1	20674519	BPZVDORBIOAIDR-YADHBBJMSA-N	450.539	2.532	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104204058	YWVNIDGLQZUIQQ-MWFTZXFNSA-N	492.521	2.800	10	40	JFCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1	9282957	UCBSLJSCYRBCMV-HMAPJEAMSA-N	486.528	2.783	10	40	JFCB	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)cc1	20170910	ZVEWHOGRJIICDK-OQKWZONESA-N	456.974	2.625	10	40	JFCB	
O=C1/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	2266093	POXOKBMQNUKVQF-IZCBMXNHSA-N	474.633	2.628	10	40	JFCB	
O=C(Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O)C(=O)Nc1ccccc1[N+](=O)[O-]	8653534	JLBSZAPOFLSMGO-UHFFFAOYSA-N	482.408	2.769	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CSc3nc(=O)c4cnn(-c5ccc(C)cc5)c4[nH]3)CC2)cc1	12550137	ZZSCMKPCAKGUOT-UHFFFAOYSA-N	490.589	2.867	10	40	JFCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	16488276	MQULMYFHPSAFAM-SAPNQHFASA-N	465.443	2.824	10	40	JFCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c1	100774585	KEFOEEVQHBMHQG-CPNJWEJPSA-N	459.506	2.988	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1	9669065	SETZRMJNSCBNFM-UHFFFAOYSA-N	487.622	2.988	10	40	JFCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(I)c2)C(=O)NC1=S	12468414	KFECWJSLGKEMSV-DHZHZOJOSA-N	480.283	2.837	10	40	JFCB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)NN(c2ccccc2)C1=O	13539785	WNVLUQVKDFGAJW-DWACAAAGSA-N	477.524	2.727	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	22928932	CZJBDMQNWJCIFS-DNQXCXABSA-N	453.635	2.958	10	40	JFCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1[N+](=O)[O-]	33436262	WLORYGWROJLUQL-PDGQHHTCSA-N	457.512	2.895	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	59498610	XCUCQBIVFPFUCX-UHFFFAOYSA-N	458.408	2.608	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(-c4ccccc4)c(=O)c4sccc43)CC2)cc1	67673727	YOSBUJYXBRHXRO-UHFFFAOYSA-N	476.558	2.571	10	40	JFCB	
CCOc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)ccc1OCC(=O)N1CCCC1	9907401	VWVRDGDAZDAVPU-ATVHPVEESA-N	464.565	2.762	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OC(C)=O	13562088	JGVZVWDBTUHNED-DHDCSXOGSA-N	478.242	2.687	10	40	JFCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)N3CCOCC3)c12	409138247	ZBJRVVPDFJWXAV-UYRXBGFRSA-N	473.620	2.910	10	40	JFCB	
CCCCn1c(N)c(N(CC)C(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c(=O)[nH]c1=O	3425099	FTKAIRVTOUBLKW-UHFFFAOYSA-N	487.564	2.892	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1O[C@H](C)C(=O)O	409238240	CYRVQKRPWNMROB-BTAWCLGRSA-N	489.278	2.976	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OC	409373482	UBJZTJMPJSKBDP-WUXMJOGZSA-N	482.230	2.563	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1O	1192704	IUCHPHLBDGELLD-NTUHNPAUSA-N	478.242	2.980	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4nc(Cl)nc5[nH]cnc45)C3)CC2)cc1	13548549	YWNRMDRBURHLTJ-OAHLLOKOSA-N	455.950	2.580	10	40	JFCB	
CCN(CC)CCN/C=C1\C(=O)N(c2ccc(I)cc2)C(=O)N=C1O	102589196	UNDCHRYYOILBAR-KAMYIIQDSA-N	456.284	2.530	10	40	JFCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1	2365771	LOOPAVIMYKVTJB-UYRXBGFRSA-N	496.614	2.860	10	40	JFCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1	10232950	ZFWVTGWQUOWFMT-FEEIMYBTSA-N	450.607	2.828	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C	13810247	UFZBZMALRDCMAT-SFQUDFHCSA-N	467.938	2.882	10	40	JFCB	
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1C	22735568	PMPMFVQKWSZAMD-XMMPIXPASA-N	472.655	2.653	10	40	JFCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1	100672086	MJVICNSRPTWBMP-PGMHBOJBSA-N	464.522	2.760	10	40	JFCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O	408844681	IFOOBNPUFYDOKW-NTUHNPAUSA-N	482.205	2.811	10	40	JFCB	
CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C(C)C)C2=O)CC1	9374816	WJLQLFDMGDBDJN-SSZFMOIBSA-N	487.607	2.583	10	40	JFCB	
O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(N4CCOCC4)cc3)n(C[C@H]3CCCO3)c12	9613425	HBAOPBFWEZDLAV-JOCHJYFZSA-N	487.560	2.617	10	40	JFCB	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1S(=O)(=O)N(C)C	9672425	KPMFGUMABZFSQT-NRFANRHFSA-N	475.611	2.833	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1	15957015	GZZDCSKTNMMCRO-GDNALLQQSA-N	489.915	2.919	10	40	JFCB	biogenic
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1	22735065	MDSWORKGPNPGEI-XMMPIXPASA-N	481.666	2.834	10	40	JFCB	
CCCn1c(C)cc(/C=C\C(=O)N(Cc2ccccc2)c2c(N)n(CCOC)c(=O)[nH]c2=O)c1C	96817341	FGJCCVFLWOOUTG-QXMHVHEDSA-N	479.581	2.840	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)CC2)cc1	408925232	LEXIKNWCAQXHMO-UHFFFAOYSA-N	466.563	2.634	10	40	JFCB	
Cc1ccccc1NC(=O)COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br	409254086	CSOTUDJQQUZDKU-UHFFFAOYSA-N	474.336	2.689	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1	57414773	BOVSBKIGAQVLLI-DEOSSOPVSA-N	480.565	2.697	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(-c4ccccc4F)c(=O)c4sccc43)CC2)cc1	67217931	GQTJXFXMOGHXJF-UHFFFAOYSA-N	494.548	2.710	10	40	JFCB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1	409242818	PEXPIIOZBMAFOZ-LVLBFHFTSA-N	454.504	2.941	10	40	JFCB	
COc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O	409243418	YMCQBOMEJQWPBD-UNOMPAQXSA-N	470.913	2.717	10	40	JFCB	
COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc(OC)c1OC	16838265	RZLRBKHMDLZOKO-QFIPXVFZSA-N	469.582	2.898	10	40	JFCB	
COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1OC	22733207	QJKVIWWXNBJZCT-OAQYLSRUSA-N	455.555	2.508	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc(OC)cc1	408732798	ZEKAFVKCPNWROB-FQWPPLDYSA-N	477.586	2.982	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Br)cc3)S(C)(=O)=O)CC2)cc1	408617536	BLKJNJRXMWHXSD-UHFFFAOYSA-N	496.427	2.568	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408733494	YKMNOBBMMVSSIW-FBHQFGEZSA-N	463.559	2.679	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)ccc1Br	408758928	UYKODXOUVQEBFZ-WUXMJOGZSA-N	491.210	2.946	10	40	JFCB	
N=C1/C(=C/c2ccc(OC(=O)c3cccs3)cc2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084577	RYMZSPXNRDZPHZ-NAQRUGGGSA-N	467.532	2.876	10	40	JFCB	
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCOC)C1=O	8827824	XMYOISHVZVOPEZ-SSZFMOIBSA-N	462.597	2.689	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3cccs3)c3cccnc3)CC2)cc1	56896353	ZLRICQMYFMPPAE-OAQYLSRUSA-N	458.609	2.994	10	40	JFCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S	2194419	QWYFJJCLHNGGPZ-MTOJCTJASA-N	485.635	2.704	10	40	JFCB	
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1	9135803	NHXIQFQKDFWZRY-DEOSSOPVSA-N	463.582	2.919	10	40	JFCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@@H]3CCS(=O)(=O)C3)C2=O)cc1	10232947	FCGHQSOTJDSEBF-FEEIMYBTSA-N	452.623	2.705	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3cc(C)n(S(=O)(=O)c4ccccc4)c3C)CC2)cc1	13586009	RPICMXNYOXRLIB-UHFFFAOYSA-N	489.619	2.861	10	40	JFCB	
Cc1ccc2nc(NCCO)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	34798808	VOKVFAAPJDRJHG-GIJQJNRQSA-N	496.570	2.537	10	40	JFCB	
COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c2ccccc21	6245150	HAPSVHMNLUNZFH-DEDYPNTBSA-N	476.558	2.544	10	40	JFCB	
COc1ccccc1CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1	9135678	PESNWDADXPHFEI-QHCPKHFHSA-N	450.583	2.647	10	40	JFCB	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	12635665	KAAOTIJMRYFMMU-PDFGSZSQSA-N	451.523	2.533	10	40	JFCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2cc(Br)ccc2OCC(N)=O)C1=O	409219202	NZXCYYHVCXIVJU-VGOFMYFVSA-N	492.713	2.941	10	40	JFCB	
CCOC(=O)COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408692144	FGPTUBVBYPNINR-RIYZIHGNSA-N	495.326	2.804	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(C)n1-c1cccc(F)c1	9637718	BGEXZQKUIUCYHJ-RUZDIDTESA-N	487.495	2.859	10	40	JFCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCO2	9234219	HCVAGMQHGBWYHD-JAIQZWGSSA-N	467.503	2.927	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408912944	INPXMTWFUMNTGA-RIYZIHGNSA-N	459.911	2.623	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	3109109	NCWOMDGSURALIL-PZHBDVNGSA-N	492.557	2.773	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	759313	AGZQEEJYOYJWAQ-JUTHHCEFSA-N	491.569	2.593	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2187694	GYJMRPOWLSJWTA-FVIVVMBBSA-N	490.629	2.930	10	40	JFCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O	409195147	ROYQGZARIQZYTB-GZTJUZNOSA-N	481.530	2.834	10	40	JFCB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2	24761483	LWNOITFBAXICBO-UHFFFAOYSA-N	473.595	2.727	10	40	JFCB	
COc1ccc(OCCN(C)CC(=O)c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cc1	58160753	GXTZBQCTKHISFS-UHFFFAOYSA-N	471.579	2.944	10	40	JFCB	
O=C(O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	408911000	MMCGRJXZNAKJNM-VGOFMYFVSA-N	463.215	2.718	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409221768	ATTFXGCRFOVCHC-UHFFFAOYSA-N	457.870	2.814	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C	409257249	RSEAHASYJHHHMV-UHFFFAOYSA-N	459.911	2.589	10	40	JFCB	
O=C(O)CCCN1C(=O)/C(=C/c2c(N3CCCCC3)nc3ccccn3c2=O)SC1=S	1757607	BIISLFOSEBJGPF-SQFISAMPSA-N	458.565	2.751	10	40	JFCB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@](CC(C)C)(C(=O)O)[C@@H]3C2=O)cc1	8868212	LYYPIGARKJVYOQ-GBWYYYKWSA-N	468.506	2.729	10	40	JFCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	13894170	UVRYZPWQSUEWDD-WQRHYEAKSA-N	456.476	2.848	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104214156	VGMJLSSBYDZHOD-KRXRYSOXSA-N	463.479	2.788	10	40	JFCB	
C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)C1	225563291	GFHDESPXHJGNGU-IBGZPJMESA-N	457.596	2.874	10	40	JFCB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-]	408662091	MVLMGAXXBYUPHS-ONTIZHBOSA-N	491.500	2.947	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)c(C)c4)C3)CC2)cc1	585284697	ZARSXQDCEVQVRD-SANMLTNESA-N	474.573	2.616	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1	28208536	LILPAGBIFUWKOR-UHFFFAOYSA-N	457.596	2.761	10	40	JFCB	
CN(C)c1ccc([C@@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)O)cc1	57015401	QDYOJICBTRNQMT-FQEVSTJZSA-N	458.540	2.667	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(OC)c2)C(=O)N=C1O	102582178	COXPCPFIFVGUGZ-LVSKKATPSA-N	462.462	2.857	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1O[C@H](C)C(=O)O	409228676	CJVKRXVDWIOCIT-SWEABUAFSA-N	454.504	2.995	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	409331794	IBZGOOAUTVOKKV-VZIOXZNFSA-N	491.569	2.702	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC)cc3)C(=O)N=C2O)cc([N+](=O)[O-])c1O	16688277	CQKUJUDVAYQWFM-ZSOIEALJSA-N	455.379	2.992	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	19529605	KAAOTIJMRYFMMU-UWHHFBIGSA-N	451.523	2.533	10	40	JFCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/NCCc1c[nH]c2ccc(O)cc12	2448514	TWRHFPBHUIFAHC-GZTJUZNOSA-N	469.295	2.935	10	40	JFCB	
COc1ccccc1N1CCN(S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CC1	8425602	LAOKEDMOAANXSF-UHFFFAOYSA-N	462.527	2.982	10	40	JFCB	
CCCOc1ccc(N2C(=O)C[C@@H](NCCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1	9763815	BSOHGMVTARHCHA-RUZDIDTESA-N	480.609	2.918	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)[C@H](C(=O)N(C)C)C2)cc1	257253001	JXEGONXWLMLISE-QFIPXVFZSA-N	461.522	2.697	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408831605	WFHMAYGETQRFDO-PZHBDVNGSA-N	491.569	2.563	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	408886066	HSINIYGXKOUHLW-ZROIWOOFSA-N	452.491	2.860	10	40	JFCB	
CC(=O)Nc1cc(S(=O)(=O)O)ccc1/N=N\c1ccc(S(=O)(=O)O)cc1NC(C)=O	13403761	DBGAEQACQVRINO-VXPUYCOJSA-N	456.458	2.512	10	40	JFCB	
CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	2328258	LBKNWXPBFSRJBB-SXGWCWSVSA-N	452.517	2.866	10	40	JFCB	
CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	16025243	BYMISFGRUKMVOU-WDEBQMKVSA-N	469.925	2.514	10	40	JFCB	
CCN1C(=O)/C(=C\c2cc(C)n(CCOC)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21	16957398	RBAKLYDFJPNASI-JCMHNJIXSA-N	473.595	2.679	10	40	JFCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	41078377	MEHFSERVOVLPPR-NSVROCRESA-N	492.517	2.887	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	245230014	KAAOTIJMRYFMMU-UPUUWEMXSA-N	451.523	2.533	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)ccc1OCC(N)=O	409219642	SRBLRXUVPHTTTC-NTEUORMPSA-N	457.870	2.578	10	40	JFCB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O	9310635	LGHLVMJQZBZXOA-WUXMJOGZSA-N	460.327	2.677	10	40	JFCB	
C[C@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)C(=O)O	33560370	WBRIHAKBWZMOEJ-HOXUKUGESA-N	478.242	2.605	10	40	JFCB	
COc1ccccc1NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408654467	BQEDQTNHZDWBMJ-SVFBPWRDSA-N	462.502	2.739	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1O	408695302	RMHBZQZHZUKWTP-KPKJPENVSA-N	470.263	2.800	10	40	JFCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O	409240356	GUJBMKWQSGRRDR-CPNJWEJPSA-N	451.548	2.980	10	40	JFCB	
CC(=O)N1C(=O)/C(=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)c2ccccc21	8821913	RAXCFJUKOIUXBD-VXPUYCOJSA-N	450.495	2.882	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(NC(=O)Cn3c(=O)sc4ccccc43)C2=O)ccc1O	32594779	BMHCUIZDEIEQHN-SXGWCWSVSA-N	473.557	2.710	10	40	JFCB	
COC(=O)[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	33562093	CNJCHORFISOBKJ-SEJMYLSOSA-N	475.295	2.859	10	40	JFCB	
COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1	56946070	YKWOSJSDQFZTKK-DEOSSOPVSA-N	492.576	2.593	10	40	JFCB	
COC(=O)C[C@H](c1cnn(C)c1C)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96115700	ZPRXNRKIZZPYRH-GFCCVEGCSA-N	482.445	2.725	10	40	JFCB	biogenic
O=C(O)CN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	2605641	SXRUKMITWWDEHM-BOPFTXTBSA-N	478.555	2.543	10	40	JFCB	
COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	6193967	LZCONOWOGKYWNM-FYJGNVAPSA-N	490.585	2.852	10	40	JFCB	
O=C1/C(=C\c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	26840896	VKYYOLSNNYSFEO-RFRKOGIWSA-N	499.595	2.875	10	40	JFCB	
COc1ccc(-c2c(C)oc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1OC	20439030	GZOBRNIEFUNYEM-UHFFFAOYSA-N	454.523	2.601	10	40	JFCB	biogenic
CCOc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)cc1	57415404	CKZQZOLFTZRTKZ-DEOSSOPVSA-N	480.565	2.697	10	40	JFCB	
COc1ccc(-n2c(C)cc(C(=O)COC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)cc1	9745103	UAOVGTHGLHCFIQ-UHFFFAOYSA-N	453.495	2.693	10	40	JFCB	
Cc1cc([C@@H]2NC(=O)c3ccccc3N2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	19356481	LFLIEEKHGNOBCQ-XMMPIXPASA-N	480.590	2.993	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(CC)C(=O)N(CC)C2=O)cc(I)c1O	2772936	GXAVBCYHRPMZJL-UHFFFAOYSA-N	458.252	2.610	10	40	JFCB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4cccc(OC)c4O)N[C@@](CC(C)C)(C(=O)O)[C@@H]3C2=O)cc1	8868211	LYYPIGARKJVYOQ-AJGMTHFWSA-N	468.506	2.729	10	40	JFCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O	408532947	NHGAUNKOHNZCLK-ACCUITESSA-N	498.337	2.781	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)C2)cc1	408560838	QIOFVRJFMSXZLS-FQEVSTJZSA-N	487.622	2.843	10	40	JFCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCOC)C3=O)cn(CC(=O)NCCOC)c12	409126269	OFXWNEZHPNAQMU-PDGQHHTCSA-N	461.609	2.814	10	40	JFCB	
CCN1C(=O)C(=CNNc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)C(=O)N(CC)C1=S	9480709	WBXFPPBHBZBVOG-UHFFFAOYSA-N	472.592	2.624	10	40	JFCB	
CN(CCCC(=O)N1CCCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	10383375	CMOIUXJUPOSFCS-UHFFFAOYSA-N	454.548	2.875	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccc(OC)c(OC)c3)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504504	HSHVNGPZEGYLIM-RDGATRHJSA-N	494.596	2.790	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N(C)C)C2=O)ccc1Br	408532361	MLDWCFWXRUISEK-FMIVXFBMSA-N	499.325	2.984	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1	408536517	WRCJSKQTUHNTSC-DTQAZKPQSA-N	476.942	2.949	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(I)c1OC	409374386	OHXRWWIJIWFASE-NTUHNPAUSA-N	496.257	2.954	10	40	JFCB	
COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	21887017	LRXYWTIZIPQDAP-HSZRJFAPSA-N	466.582	2.514	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408659399	JLDWZHONTZTELJ-VSKRKVRLSA-N	462.502	2.739	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1	20283468	BHAHFZGQOUAVSD-QHCPKHFHSA-N	450.539	2.689	10	40	JFCB	
COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	33793865	NRZYJQJYTCPMTE-ZENNRRHLSA-N	475.295	2.859	10	40	JFCB	
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCCCN1CCOCC1	33932674	STEMTRWMAGVYNW-VKAVYKQESA-N	498.468	2.879	10	40	JFCB	
O=C(NN1C(=O)/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)SC1=S)c1ccccc1	409171973	GBFGOZVHEJZYGD-AQTBWJFISA-N	470.532	2.978	10	40	JFCB	
Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1	2195645	FFCWVQIRKHLRHR-ATVHPVEESA-N	474.608	2.568	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)[C@H](C(=O)N(C)C)C2)cc1	257336311	YNWVOISQKUXRMK-QHCPKHFHSA-N	469.557	2.688	10	40	JFCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1	408883674	UISQEGNEYODLDS-XNTDXEJSSA-N	459.252	2.998	10	40	JFCB	
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C	22735500	UMSNWQDTEFDGCU-QHCPKHFHSA-N	459.612	2.738	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)C(=O)O	35087657	AOINDPNCVPWASS-ZEVOCZHWSA-N	461.268	2.771	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(N)=O	409222650	CXCJJPWRDVEGSJ-VGOFMYFVSA-N	478.288	2.923	10	40	JFCB	
CSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)n1	9409405	QTFULOKBBQOAOY-HNNXBMFYSA-N	455.005	2.747	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504463	HKYMCIAFLUTXIT-XUZZJYLKSA-N	464.570	2.781	10	40	JFCB	
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@H](Cc2[nH]ncc2S(C)(=O)=O)C1	257256507	KLTBLIOGHIRJMH-QGZVFWFLSA-N	460.600	2.907	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])c(O)cc3O)C2=O)ccc1Br	408767617	YZKACTDWSHLIPS-VZUCSPMQSA-N	462.212	2.743	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408797181	BPGBRLSDGXJDMV-UHFFFAOYSA-N	476.239	2.694	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COCc3cc(-c4ccc5c(c4)OCO5)on3)CC2)cc1	8596699	KZLXSNVFNFVUJP-UHFFFAOYSA-N	451.479	2.944	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1	108126455	UYKUVYZRZMVYRN-UHFFFAOYSA-N	477.901	2.810	10	40	JFCB	
CC(=O)c1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408655108	CSGCGWMNXLLHHL-ZRBLBEILSA-N	474.513	2.933	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1	408966105	MULCDRVEEKMDCQ-UHFFFAOYSA-N	473.938	2.965	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1	13504439	DXZOKGYOGUXPMZ-ZEQRLZLVSA-N	465.577	2.969	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1	2975384	DILVMPWNNDYBRL-UHFFFAOYSA-N	468.535	2.535	10	40	JFCB	
CN1CCN(C(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)CC1	19905309	JXLNILKAXGFVFB-QINSGFPZSA-N	454.415	2.814	10	40	JFCB	
COc1cc2c(cc1NCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)oc1ccccc12	11619389	MZLPQQBMXIARNO-UHFFFAOYSA-N	450.495	2.988	10	40	JFCB	
CCN(CC)c1ccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c(O)c1	103008616	KKLLQPHSPKYEEH-PDFGSZSQSA-N	451.523	2.527	10	40	JFCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)cc1	408655553	DJAMONLIZQMEOJ-HBMCJLEFSA-N	450.466	2.870	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	8435153	AZEWREFMJXWLIF-FGGAIWKESA-N	463.559	2.570	10	40	JFCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1	9158133	FXQKVRLKXRDHEQ-GNMKNICSSA-N	476.562	2.962	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NC[C@H](O)c3ccccc3)nc12	13749460	ZJRCDBOFRPRBOF-FDIDWWNZSA-N	452.561	2.979	10	40	JFCB	
CCc1ccc2c(c1)[C@@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]31)C(=O)N2	16033906	RLUGXWLFCZJFNM-PKVHRPSESA-N	489.572	2.956	10	40	JFCB	
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)c([N+](=O)[O-])c1	20239049	STKKNUAZIULSOK-TUQWILOLSA-N	489.491	2.875	10	40	JFCB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33655461	QNJGJQXKDOBVJJ-ZSOIEALJSA-N	490.266	2.761	10	40	JFCB	
COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(C)cc1	51318385	NUYYCKQBJQYSIA-QHCPKHFHSA-N	450.539	2.607	10	40	JFCB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc21	408529244	HHJDGGDRFOFCAY-KAMYIIQDSA-N	498.883	2.983	10	40	JFCB	
Cc1cccc(N(CCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1C	224757477	GNSOSRKNOYZOHH-UHFFFAOYSA-N	472.655	2.918	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)cc1	409221703	ACHNMDKTTWUHBS-HYARGMPZSA-N	471.469	2.796	10	40	JFCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCCCC1	10113429	LZIWCLOJUZREQB-UHFFFAOYSA-N	473.595	2.636	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504386	AETHDWBNAPJRJM-GOTSBHOMSA-N	452.534	2.911	10	40	JFCB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(CC)CC3)nc3ccccn3c2=O)SC1=S	2338764	NXXTXAOQTUQKLA-ICFOKQHNSA-N	457.625	2.838	10	40	JFCB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O	108917287	YKQAWMOBDAPOJQ-GPILYODUSA-N	461.268	2.771	10	40	JFCB	
CCOC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	13810416	RHKKBQIVEYJOMG-MFOYZWKCSA-N	461.430	2.600	10	40	JFCB	
CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(C2CCCCC2)N=C1C	28615408	JKUGVYHPUBBMQV-CBAIGBLSSA-N	484.647	2.948	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(-c4ccc(Cl)cc4)nc(C)c(CCO)c3=O)CC2)cc1	67300668	AJMTXXYLHZXENG-UHFFFAOYSA-N	496.995	2.764	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)ccc1Br	408533500	SRPKEDXIUQJKBL-GXDHUFHOSA-N	484.310	2.527	10	40	JFCB	
CCN1CCN(Cc2cc(OC)c(N3CCOCC3)cc2OC)CCOc2ccccc2CC1=O	643589343	VNTZCCUPHNTIIA-UHFFFAOYSA-N	483.609	2.826	10	40	JFCB	
COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(=O)O)cc2)C1=O	409190988	XSBBMWHQHIJODJ-LDADJPATSA-N	451.504	2.825	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O[C@@H](C)C(=O)O	409238752	NRSPCXKLDQBWAZ-KBVGCWLLSA-N	489.278	2.976	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC[C@@H]4C(N)=O)c4ccccc34)[C@H]21	1565524176	DVIPVRMDQBGLCJ-GJZUVCINSA-N	471.561	2.655	10	40	JFCB	
COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@@H](C(C)=O)N21	8993165	MEEGLZQSUOWDJS-HLRQEUIKSA-N	463.446	2.591	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c(C)c1	13388167	MSEXCICEXFYPJZ-LDADJPATSA-N	465.487	2.877	10	40	JFCB	
COc1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)cc1OC	13562093	OYCSETSBHCJPRB-ZROIWOOFSA-N	450.232	2.770	10	40	JFCB	
CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O	248249771	RWDICRJTVGAJFP-UDQIJZATSA-N	469.925	2.513	10	40	JFCB	
Cc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c1	20206164	IXBRKPRKIBWIQC-HJMKZUPFSA-N	468.516	2.835	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc(Br)c1O	36613182	VOJBXPTUGNWCOE-NJQKBMNKSA-N	476.326	2.683	10	40	JFCB	
O=Cc1ccc(N=Nc2c(S(=O)(=O)O)cc3ccc(S(=O)(=O)O)c(O)c3c2O)cc1	299888261	BUZNAPDPUUDJAE-UHFFFAOYSA-N	452.422	2.972	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	22928928	CZJBDMQNWJCIFS-ZEQRLZLVSA-N	453.635	2.958	10	40	JFCB	
CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	20548760	RWDICRJTVGAJFP-UNKHORCTSA-N	469.925	2.513	10	40	JFCB	
COc1ccc(OCC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22734893	ZGZMAMBIRYHHRP-VWLOTQADSA-N	452.599	2.561	10	40	JFCB	
CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=C2C(=O)NC(=O)NC2=O)CC1	408719928	SVGZGCOXBFXSDH-UHFFFAOYSA-N	455.515	2.817	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCC(=O)O	408947583	COHRWHWZNMXWCP-WLRTZDKTSA-N	488.836	2.597	10	40	JFCB	
COc1cc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc(Br)c1OC	96193206	PSYAWKQWZNNMEY-NVNXTCNLSA-N	480.340	2.920	10	40	JFCB	
COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-]	408848616	RWIWYACVCAQXAP-NYYWCZLTSA-N	490.222	2.761	10	40	JFCB	
COCCCN1C(=O)/C(=C2/C(=O)N(CC(=O)NCc3ccccc3)c3ccccc32)SC1=S	2695999	LEBRWYUCFYBWEL-MRCUWXFGSA-N	481.599	2.958	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	8777558	YHWFNFOVHXPHRL-UHFFFAOYSA-N	469.563	2.867	10	40	JFCB	
O=C(NN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S)[C@@H]1CC(=O)N(c2ccccc2)C1	8861373	WBIRKBJCEKDVND-AYCSXLNKSA-N	468.516	2.880	10	40	JFCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1C	214679613	XHLBLRCQDYVGII-DEDYPNTBSA-N	483.546	2.776	10	40	JFCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	409144451	OCAKIYKESZQQEW-YBFXNURJSA-N	470.507	2.897	10	40	JFCB	
O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S	2449128	MAPAYVUDVPENOE-ZROIWOOFSA-N	457.464	2.912	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1	15957013	GZZDCSKTNMMCRO-MPWBWRNSSA-N	489.915	2.919	10	40	JFCB	biogenic
O=C(C[C@H](O)CCc1ccc(O)c(O)c1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	13610584	FKDRTLFRRHQTGU-BZBXLLDXSA-N	498.484	2.892	10	40	JFCB	biogenic
Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1	22735017	XIENIVUKYFUYNV-VWLOTQADSA-N	463.626	2.729	10	40	JFCB	
Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)cc1	8721275	OBBKPYLDHBAZIE-HXUWFJFHSA-N	487.603	2.812	10	40	JFCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	20036282	YYWUDQIVGFFUNP-CIAFOILYSA-N	468.510	2.974	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1O[C@H](C)C(=O)O	409232652	AXKBGVOFMGMIGA-SWEABUAFSA-N	454.504	2.995	10	40	JFCB	
COCCn1cnc2c1c(=O)n(CC(=O)c1cc(C)n(-c3ccccc3)c1C)c(=O)n2CC(C)C	9129989	RTPLTRFTAAASLE-UHFFFAOYSA-N	477.565	2.953	10	40	JFCB	
Cc1ccc(-n2c(C)cc(CC(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C)cc1	9353554	KGWPWHATLQVXGO-UHFFFAOYSA-N	455.536	2.774	10	40	JFCB	
COC(=O)c1c(NC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)sc2c1CC[C@H](C)C2	9671330	HOKAGGCXEBAYDP-AWEZNQCLSA-N	459.568	2.989	10	40	JFCB	
COC(=O)c1cc2ccccc2c(CN2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1O	17519833	SQMIUQAZRXPTDQ-UHFFFAOYSA-N	473.551	2.833	10	40	JFCB	
COC(=O)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(Cl)cc32)cc1	48990220	MFXCCBADNULLHQ-UHFFFAOYSA-N	462.911	2.752	10	40	JFCB	
CCCN1C(=O)/C(=C\Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)C(=O)NC1=S	102908536	ZSAJIJTXRFYVOJ-PEZBUJJGSA-N	464.613	2.589	10	40	JFCB	
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@H]2C(=O)O)SC1=S	256055720	QQFNBMVRWBPSRC-IAOKNECISA-N	498.380	2.577	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(I)c1O	409017586	FRKGFCXCQOCNMD-LFYBBSHMSA-N	498.273	2.976	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	759315	AGZQEEJYOYJWAQ-VVOOWDFBSA-N	491.569	2.593	10	40	JFCB	
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4ccoc4)c(=O)n32)cc1	35678403	PHEZEUIOHGHEEX-UBXANZILSA-N	451.548	2.847	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21	9138223	GRICWYRWHGUHGV-HSZRJFAPSA-N	478.593	2.757	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	9469228	LTTCJDMHPFWLTC-IBGZPJMESA-N	463.625	2.644	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3cccc(OC)c3)CC2)cc1	22698781	XYAPWNBHCDJBPK-UHFFFAOYSA-N	492.576	2.835	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1	32910093	ITAAZRBIASMQTI-QHCPKHFHSA-N	487.984	2.995	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S	2358491	LFYYSNOYQFJEKU-ZKMNFCBKSA-N	457.625	2.754	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c2ccccc21)NC[C@H]1CCCO1	8660967	BCFZPNUVGUYCGD-MIQLPHMESA-N	490.491	2.742	10	40	JFCB	
CN(C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	10232968	UJCLDEOOPYRGEZ-QTNMRXCUSA-N	459.014	2.577	10	40	JFCB	
CC1=NN(C(=O)CC(=O)NC(=O)/C=C\c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1	104307012	MAOPWWYONTVTMB-PJAMSPJLSA-N	462.422	2.538	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	408616737	ATSSQFSQXIZWKH-INIZCTEOSA-N	482.002	2.763	10	40	JFCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(=O)n2c1	2304358	XBNKXRJBNULJFX-BOPFTXTBSA-N	457.625	2.612	10	40	JFCB	
Cc1cc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)ccc1Br	10113389	XZUOJOACDQMBTL-UHFFFAOYSA-N	496.427	2.677	10	40	JFCB	
Cc1cc(C(=O)CN2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	13032090	DAVLPMCTDIIJON-UHFFFAOYSA-N	452.580	2.746	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)c2cccc3nsnc23)c1	19079617	DUSPSNRODCXSTG-UHFFFAOYSA-N	455.587	2.564	10	40	JFCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)cc1	409224581	IIPWLOAICMDPKH-XSFVSMFZSA-N	451.548	2.926	10	40	JFCB	
COCCCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3c(C)cccn3c2=O)SC1=S	8834853	PBJBZNRDNAXYRH-JXAWBTAJSA-N	498.634	2.939	10	40	JFCB	
COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O	108917295	YKQAWMOBDAPOJQ-PDICVPPASA-N	461.268	2.771	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	408590933	IAYYXRXGPBEHHJ-SFHVURJKSA-N	453.564	2.864	10	40	JFCB	
CCCCN1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	16025241	BYMISFGRUKMVOU-RSOWOLOUSA-N	469.925	2.514	10	40	JFCB	
CCOC(=O)c1ccc(N2C=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccc(F)cc32)cc1	49004034	SQBDDNSVOKOEMB-UHFFFAOYSA-N	460.483	2.628	10	40	JFCB	
COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)c1O	8869853	DYWHLHUDZWTYTM-KGWSRGFLSA-N	464.396	2.713	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCSC)C(=O)O)C2=O)cc1	8870109	SUHHEHOPPHRPDP-AYYGCFCKSA-N	454.595	2.609	10	40	JFCB	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O	9216740	BDVSQARLBDRXLB-SSZFMOIBSA-N	462.597	2.689	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccccc3OC)CC2)cc1	22698779	SJPDUNQUBSLSCN-UHFFFAOYSA-N	492.576	2.835	10	40	JFCB	
COC(=O)COc1c(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)cccc1OC	408535704	WAXLCKHVUFUEJQ-GZTJUZNOSA-N	488.543	2.802	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)c(OC)c3)C(=O)NC2=S)c1	409016690	VKXOEXJLJINVSW-VZWMTCDZSA-N	470.503	2.777	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1	8951986	GLUHFEJSOJVPBV-UHFFFAOYSA-N	451.479	2.845	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	9309874	FYHVLIOHMZQAMS-FJWZAKCXSA-N	491.569	2.593	10	40	JFCB	
COc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22734887	YNGKEAUOUKPLSS-QHCPKHFHSA-N	452.599	2.561	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\NN3C(=O)c4cccc5cccc(c45)C3=O)C2=O)cc1C	408533897	PMLQFXIYFBSAFU-XDHOZWIPSA-N	454.442	2.724	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(I)c1OC	408692206	HAOFEIKYEXZUEH-KPKJPENVSA-N	470.263	2.713	10	40	JFCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C2=O)c1	6573623	REYGLOGLJLMHRC-WJDWOHSUSA-N	490.310	2.944	10	40	JFCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1	21958282	FTYANHDGAVNOJC-UHFFFAOYSA-N	469.563	2.818	10	40	JFCB	
Cc1oc2c(CN3CCN([C@H]4CCS(=O)(=O)C4)CC3)c(O)ccc2c(=O)c1-c1ccccc1	22095217	HJPCNQDJMOMWJE-IBGZPJMESA-N	468.575	2.779	10	40	JFCB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC(C)C)(C(=O)O)N[C@H]3c2ccc(OC)cc2O)cc1	36033880	IBNFKPAXQRFICF-PDFGSZSQSA-N	468.506	2.729	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)O)C(=O)NC2=S)c1	409221369	PJIIQCSGQNXFLU-VVBXCHJUSA-N	470.503	2.777	10	40	JFCB	
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2O[C@@H](C)C(=O)O)C(=O)NC1=S	409248484	KRAZPGQJQWNHAK-HKJJFUAXSA-N	454.504	2.941	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1cccs1	631429	WMDWUDGQMXFQOS-MTGKDYNDSA-N	453.589	2.926	10	40	JFCB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)CC1	1480716	ASGWKDWJDTVYRE-VBKFSLOCSA-N	472.592	2.613	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1	15957014	GZZDCSKTNMMCRO-AHQSTGFLSA-N	489.915	2.919	10	40	JFCB	biogenic
COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)SC2=S)cc1	16915147	DQBAXNGLWGBIED-LICLKQGHSA-N	474.516	2.713	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])C(=O)NC2=S)c1	9462137	LODUDLILDXDUND-NVNXTCNLSA-N	457.464	2.842	10	40	JFCB	
COc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	10113422	YTNFOTHYNFCQIY-MRXNPFEDSA-N	482.002	2.656	10	40	JFCB	
COC(=O)[C@@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	20150636	XUDDVVIZLWWTEK-QDMVCWPOSA-N	467.591	2.868	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)c(O)cc3O)C2=O)cc1	59426732	IEWYYLOFHWUYGM-WUXMJOGZSA-N	464.215	2.677	10	40	JFCB	
CCOC(=O)CSCCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	8837096	UXYZNACVCSZQGY-AQTBWJFISA-N	456.520	2.832	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504388	AETHDWBNAPJRJM-PKTZIBPZSA-N	452.534	2.911	10	40	JFCB	
CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N(C)C)ccc3=O)c2C)cc1	22717416	DDNSDLVFIFYFQB-UHFFFAOYSA-N	457.552	2.788	10	40	JFCB	
COc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(C(=O)O)c3)C2=O)c(OC)cc1Cl	408774979	ZIADPOKYBNVUNR-KPKJPENVSA-N	460.826	2.730	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(N)=O)C2=O)cc1C	409221792	AMGBGBCIEWRDNC-CXUHLZMHSA-N	472.295	2.596	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	409223956	HWOQFRRBBMBZLC-MKMNVTDBSA-N	478.288	2.923	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1	15957016	GZZDCSKTNMMCRO-TXDLGXNGSA-N	489.915	2.919	10	40	JFCB	biogenic
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21	409189346	JQYVUFYHBMXAMD-WOJGMQOQSA-N	477.498	2.734	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)CC2)cc1	9553943	JGWQIKMJQTUADG-UHFFFAOYSA-N	451.976	2.772	10	40	JFCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NCCCN1CCOCC1	17170736	ISZDMHASIJWNPA-SAPNQHFASA-N	454.017	2.770	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCC(=O)N4CCCC4)c4ccccc34)[C@H]21	1565524603	OYSCLDGUFFPSDM-SANMLTNESA-N	471.561	2.527	10	40	JFCB	
Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(Sc4ncn[nH]4)c(O)c4ccccc34)ccc21	1893416	SLYXNUHFIYWFKC-UHFFFAOYSA-N	482.547	2.806	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1	2308779	CVZGAXVWPMDOKG-WUXMJOGZSA-N	462.212	2.738	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	101109089	GWJAOQAKPSEVCV-UBXANZILSA-N	460.490	2.625	10	40	JFCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)c2C)cc1	12609009	BPMYRKUXFHQXQF-UHFFFAOYSA-N	452.488	2.908	10	40	JFCB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)/C=C/c2cccc3cccnc23)c(=O)[nH]c1=O	14168897	PLIZYJIYAAUNMC-OUKQBFOZSA-N	471.517	2.560	10	40	JFCB	
O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O)Nc1ccc(Cl)cc1	409126188	BBWDVSBZAJUJMK-PDGQHHTCSA-N	458.877	2.847	10	40	JFCB	
O=C1/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1	8858027	YMJSJYZRSPBJMO-FNBYNPPRSA-N	472.592	2.666	10	40	JFCB	
O=C1/C(=C/c2c(NCCO)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	9042857	FIGDCTQPYAAZID-VKAVYKQESA-N	452.561	2.543	10	40	JFCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	9126814	RUZZYYPVAREASH-UHFFFAOYSA-N	472.592	2.839	10	40	JFCB	
Cc1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	13647634	VTDLATJQOIQLFX-UHFFFAOYSA-N	451.976	2.567	10	40	JFCB	
COc1c(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(CCN(C)C(C)=O)cc2c1OCO2	33739890	CTNCPPCSUYJRJE-LDADJPATSA-N	465.462	2.951	10	40	JFCB	biogenic
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)NC1=S	409143626	DCJQGPJIOYBUDZ-PDGQHHTCSA-N	455.540	2.916	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3OC)C(=O)NC2=S)c1	409241727	UGIUBKSPYWODDA-DEDYPNTBSA-N	467.547	2.762	10	40	JFCB	
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C/c4c(C)nn(C)c4C)c(=O)n32)cc1	22752444	YUDVKUHROLLTNC-YJADQXIJSA-N	493.633	2.605	10	40	JFCB	
O=C(NN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1cc(=O)[nH]c2ccccc12	28629052	HVXDHASVPRKLPJ-CXUHLZMHSA-N	452.473	2.983	10	40	JFCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(C(F)(F)F)cc3)N3CCOCC3)ccc21	23857560	PNQHCKOUAIAMTP-NRFANRHFSA-N	476.499	2.826	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NC1CCCC1	409149953	WLRXBQUGNYFCAV-UDWIEESQSA-N	460.490	2.955	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1C	409253091	AOUBYQNSRXMFOO-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
Cc1cc(/C=C/C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c(C)n1Cc1ccco1	9255354	AFDGIBWUYCORFT-VAWYXSNFSA-N	473.533	2.903	10	40	JFCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1O	17299783	IBRPGHOMXAUXRG-GHXNOFRVSA-N	480.283	2.837	10	40	JFCB	
COCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	13427267	HUXJORKKVVGWCK-WQRHYEAKSA-N	496.570	2.883	10	40	JFCB	
COc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	20211412	GNPMTNKMJQOTGU-ULUISBJDSA-N	463.928	2.761	10	40	JFCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	101448712	JTGHDKBVIKPMRX-KGENOOAVSA-N	465.462	2.912	10	40	JFCB	
COCCCNC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2	9444236	MHECALOLTYJCIM-UHFFFAOYSA-N	466.581	2.965	10	40	JFCB	
CN(CCCC(=O)Nc1nccs1)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	10383411	HIEUDWLNEZDZAW-UHFFFAOYSA-N	469.544	2.958	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3Cl)N3CCOCC3)ccc21	21887114	HBGYIIYXNLNQAE-QHCPKHFHSA-N	471.001	2.528	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3nc(-c4ccc(SC)cc4)ccc3=O)CC2)cc1	61717488	VWTGKPMXOJZBGM-UHFFFAOYSA-N	450.564	2.990	10	40	JFCB	
O=C(COc1ccccc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(Cl)c(Cl)c1	408555143	VUYGTPKLHVSHOM-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccccc4Cl)c3=O)CC2)cc1	1775966562	LJWVCANLKZLHST-UHFFFAOYSA-N	478.940	2.593	10	40	JFCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC)C(=O)O)C2=O)cc1OC	8870151	SYULEQZWTKPYSQ-KWWJGWKXSA-N	452.554	2.665	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NC3CCCCC3)CC2)cc1	22698797	FKORJAOKNWGMTI-UHFFFAOYSA-N	468.598	2.637	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)nnc2n1	59579111	NVYVEWZQNREIEZ-MRXNPFEDSA-N	468.591	2.865	10	40	JFCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)SC1=S	2360639	RNTVAJVTYBBFMY-WIZMWCRPSA-N	457.625	2.754	10	40	JFCB	
CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1/C(=O)N(c2ccccc2)N=C1C	33622433	UNBNTXCCWAPQFT-CBAIGBLSSA-N	478.599	2.820	10	40	JFCB	
O=C(C[C@@H](c1ccsc1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1	230483916	TYNFESCYZIQCRF-INIZCTEOSA-N	451.504	2.754	10	40	JFCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(F)cc1	408655552	DJAMONLIZQMEOJ-ACRUOGEOSA-N	450.466	2.870	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccccc1	4196123	VRXTWEZDZPMODB-UHFFFAOYSA-N	461.268	2.665	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)CC2)cc1	12534559	ZBQFRHLPKDRDQW-MHZLTWQESA-N	472.545	2.964	10	40	JFCB	
CCc1n[nH]c(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n1	14803117	MCYSPQMVHUGZGB-UHFFFAOYSA-N	489.623	2.771	10	40	JFCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1OCC	409191399	GMNDLXDINGZGGM-XDHOZWIPSA-N	482.489	3.000	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(Nc4cccc(F)c4)nc(C)cc3=O)CC2)cc1	57506325	NMKNFNRJXVLPSP-UHFFFAOYSA-N	451.502	2.792	10	40	JFCB	
O=Cc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1	102311617	BXGFPMHXFNPUKK-VHEBQXMUSA-N	452.422	2.972	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(I)c3)C2=O)c(OC)c1	408964354	QYPBFSUPPOUANB-KPKJPENVSA-N	494.241	2.680	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	22928936	CZJBDMQNWJCIFS-RPWUZVMVSA-N	453.635	2.958	10	40	JFCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)c(Br)c2)C1=O	409224802	MUIBXQBLRQGCFL-AWNIVKPZSA-N	492.713	2.941	10	40	JFCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1	23080636	JXKDUNKWXRNFOO-QFIPXVFZSA-N	460.644	2.645	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(N)=O	409225732	OKBMEBNLZBZDKY-OVCLIPMQSA-N	457.870	2.578	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	102551112	NRJCWSNIFQXTOM-GTVARFKMSA-N	450.426	2.988	10	40	JFCB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1	12595645	BLFNOINXWKWANJ-VWLOTQADSA-N	464.610	2.718	10	40	JFCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O	16282423	BUYIHJGIPXPKFC-WQLSENKSSA-N	456.256	2.506	10	40	JFCB	
COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(I)c3)c2C)C1=O	408549259	RPDKDMMZWUHWEH-LZYBPNLTSA-N	479.274	2.764	10	40	JFCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408656602	FWBZMIZBSVMSFI-ACRUOGEOSA-N	477.473	2.639	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	2369728	PQNDGUIJNFNJGV-NKAIQICCSA-N	466.881	2.662	10	40	JFCB	
Cc1nnc(SCC(=O)c2cc(C)n(-c3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)n1C	9111778	NDSQHULISAHIJY-UHFFFAOYSA-N	489.623	2.527	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc2c(c1)OCCO2	3435071	YZLVCPDZVAPEES-UHFFFAOYSA-N	451.479	2.781	10	40	JFCB	
CCOc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1	22735520	LBRFWZDHWUCQIQ-XMMPIXPASA-N	459.612	2.820	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(S)N(c2cccc(C)c2)C1=O	102591432	XMUJTSUSXWGJEM-MTGKDYNDSA-N	462.531	2.893	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c1C	408528238	FQJGARQHGAZEFL-RAXLEYEMSA-N	498.337	2.835	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1OC	8964141	PMSOQCHXLBJUMC-OAQYLSRUSA-N	452.555	2.588	10	40	JFCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=C(C)SC5=NC4=O)cc3)nc2s1	41107969	TWNBCGPHQFRFOW-UJNQTBGZSA-N	479.547	2.931	10	40	JFCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)c(OC)c3)C(=O)N=C2S)cc1	8738119	PRRMVKBOOKJVGR-MHWRWJLKSA-N	456.476	2.800	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2ccccc2OC)C(=O)N=C1O	102588328	PYDQFXQMVZWLJO-BBLCHGJFSA-N	462.462	2.857	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCCN(c3cccc(OC)c3)S(C)(=O)=O)CC2)cc1	224104840	DMYHZPQGQRMOCJ-UHFFFAOYSA-N	461.584	2.599	10	40	JFCB	
CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)C(=O)NC1=S	408914303	PDWDIKWMTZYHDH-NTEUORMPSA-N	474.336	2.723	10	40	JFCB	
COc1cc(OC)c(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl	20211424	UYRFAXPQHBYIAN-YCWYLBEESA-N	493.954	2.769	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	408731559	NRSVMUSVWOHVJQ-FBHQFGEZSA-N	492.557	2.881	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1	4004019	NCBRBIQEMZAFTQ-UHFFFAOYSA-N	482.562	2.925	10	40	JFCB	
CCS(=O)(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1ccc(N(C)C)cc1	12630861	UQZKFUMQMRZEKP-FQEVSTJZSA-N	450.586	2.625	10	40	JFCB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(I)o2)C1=O	409230523	ZCAVIHXWPTZIAY-PKNBQFBNSA-N	452.204	2.949	10	40	JFCB	
COc1cc(/C=C2\C(=O)NN(c3ccc(F)cc3)C2=O)cc(I)c1O	680588	HXAJHFMLVBILNT-WUXMJOGZSA-N	454.195	2.606	10	40	JFCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(=O)N1CCOCC1	13669167	NLYAELSMAXUHRB-UHFFFAOYSA-N	473.595	2.636	10	40	JFCB	
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22734151	XAYFIFJEYACKLO-QFIPXVFZSA-N	456.974	2.769	10	40	JFCB	
O=C(O)CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(F)cc3)c3ccccc32)SC1=S	1818217	BLCGWHXFRDSNIK-VHEBQXMUSA-N	485.518	2.857	10	40	JFCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)cc1	20206092	LWMRVGLQMDSKON-QNMDCZIWSA-N	457.537	2.724	10	40	JFCB	
COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(N4CCC(C(N)=O)CC4)nc3)no2)c(O)c1	35425364	WUTWITGBILBNPB-FQEVSTJZSA-N	478.553	2.885	10	40	JFCB	biogenic,in-vitro
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=O)N=C2S1	41084148	AQMZDUVWONTUQG-SKQNHENMSA-N	468.516	2.917	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3cccc(OC)c3)c3ccco3)CC2)cc1	56946149	OXMYSZZRCSIFOL-XMMPIXPASA-N	492.576	2.593	10	40	JFCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1N1C(=O)CCC1=O	224123916	SHMLPDJZKOEDPN-UHFFFAOYSA-N	457.552	2.817	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409089488	MOWBVEHKWRUNEM-UHFFFAOYSA-N	462.758	2.707	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504387	AETHDWBNAPJRJM-XZOQPEGZSA-N	452.534	2.911	10	40	JFCB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21)N1CCOCC1	15228109	VTTOAVHDEPFYSO-BRLDDBHUSA-N	471.604	2.880	10	40	JFCB	
COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc(OC)c1OC	16838263	RZLRBKHMDLZOKO-JOCHJYFZSA-N	469.582	2.898	10	40	JFCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCN2CCOCC2)cc1	20288703	WOVWTIZKMHNEMN-XLNRJJMWSA-N	465.510	2.550	10	40	JFCB	
CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1	22734565	GQMMLIDUFYBASN-VWLOTQADSA-N	463.626	2.846	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3nc4c(Sc5cccc(C)c5)nccn4c3=O)CC2)cc1	49008833	KYULJDHQEHBYAK-UHFFFAOYSA-N	490.589	2.708	10	40	JFCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O	409221296	ODSJERINISTVRK-DEDYPNTBSA-N	451.548	2.980	10	40	JFCB	
CCOc1cc(/C=C2/C(=N)N3N=C(SCC)SC3=NC2=O)ccc1OS(C)(=O)=O	41083524	KDVAIGYRRZHPEA-GXGXXEIJSA-N	454.555	2.753	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(C)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	59437417	RIICEJQQXJDNBW-XOYGFPHKSA-N	478.618	2.820	10	40	JFCB	
CCN1C(=O)/C(=C/c2cc(I)c(OC(C)C)c(OC)c2)C(=O)NC1=S	409393526	YAXFEIFIDPACLT-IZZDOVSWSA-N	474.320	2.734	10	40	JFCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1	8818978	NYGJQEDISVOGKW-FEZXJWFHSA-N	478.460	2.993	10	40	JFCB	
CC(C)(C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	17028014	RWDICRJTVGAJFP-WDEBQMKVSA-N	469.925	2.513	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccc(C)cc4)s3)CC2)cc1	225118373	AMDSCGUAPOTHQX-UHFFFAOYSA-N	473.580	2.618	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3SCC(=O)N3CCCC3)CC2)cc1	9469653	YCZPGZWNCSVXOA-UHFFFAOYSA-N	497.617	2.915	10	40	JFCB	
COCCN1C(=O)/C(=C\c2ccc(OCC(=O)NCCc3ccccc3)cc2)C(C(=O)OC)=C1C	408780731	JEHTWODFCFEIPP-QJOMJCCJSA-N	478.545	2.743	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)cc1	409230277	XYZGMALPVOURTO-VLURKWGBSA-N	454.435	2.612	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	9469226	LTTCJDMHPFWLTC-LJQANCHMSA-N	463.625	2.644	10	40	JFCB	
Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	10404889	AVHHMRILORLCPU-UHFFFAOYSA-N	477.494	2.969	10	40	JFCB	
COc1ccc2ccc(O)c(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2c1	23383021	JWXWCTSADQKXMB-UHFFFAOYSA-N	457.508	2.969	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC	23858061	HMMYNHXDJHUDMQ-JOCHJYFZSA-N	466.582	2.978	10	40	JFCB	
COc1ccc2c3c(n(CCC(=O)NCCc4nc(C)no4)c(=O)c2c1OC)-c1ccccc1C3=O	604406197	YKBCJCRZZCWUBL-UHFFFAOYSA-N	488.500	2.671	10	40	JFCB	biogenic
CC(=O)[C@@H](/N=N/c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	100067088	PXMLTVJEYHGPEH-PEKPAEBVSA-N	499.487	2.887	10	40	JFCB	
COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1	2389812	OELLQUYQIFQZLW-DEDYPNTBSA-N	455.536	2.998	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)NC4CCCCC4)cc3)CC2)cc1	12635281	GMORKTNFOAHSGD-UHFFFAOYSA-N	493.651	2.817	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc(OC)cc3)c3cccnc3)CC2)cc1	56896382	LESNYKPLDLMHGV-VWLOTQADSA-N	482.606	2.941	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(S)N(c2cccc(C)c2)C1=O	102591428	XMUJTSUSXWGJEM-LVSKKATPSA-N	462.531	2.893	10	40	JFCB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(F)cc1	408655556	DJAMONLIZQMEOJ-QHAWAJNXSA-N	450.466	2.870	10	40	JFCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1	2329665	YKAFQXKUBMGHMP-AQTBWJFISA-N	469.636	2.899	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1	2773171	PNNPWZJPQJYAQW-UHFFFAOYSA-N	461.293	2.591	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CCSC)C(=O)O)C2=O)cc1OC	8870138	PWHGMIIPLRGSKV-XDUBLRSXSA-N	484.621	2.618	10	40	JFCB	
CC(C)CCn1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(C(=O)c2ccco2)CC1	19446991	PFNIQOQLEPZMJQ-QFIPXVFZSA-N	451.575	2.926	10	40	JFCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C(=O)NC2=S)c1	408965942	KJNVSVKHQBAWBT-FYJGNVAPSA-N	494.598	2.881	10	40	JFCB	
O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=S	9284775	JYCBLZHHYYNIFE-UHFFFAOYSA-N	498.508	2.977	10	40	JFCB	
CCN(CC)CCCN/C=C1\C(=O)N(c2ccc(I)cc2)C(=O)N=C1O	103229637	MJUBLYVDTBYIGE-QINSGFPZSA-N	470.311	2.920	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(I)c3)C2=O)cc1	408963057	MAJKHRINKWHTSG-MDWZMJQESA-N	464.215	2.672	10	40	JFCB	
COc1ccc2c3c(n(Cc4noc([C@H]5CCC(=O)N5)n4)c(=O)c2c1OC)-c1ccccc1C3=O	604404862	TWUGESPLAOHWGW-OAHLLOKOSA-N	472.457	2.613	10	40	JFCB	biogenic
C[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	13647636	CSZPBUHZYYFYCH-GOSISDBHSA-N	473.595	2.919	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c1	409040283	GEWUKUCKXCMZCP-UHFFFAOYSA-N	474.336	2.689	10	40	JFCB	
CCOc1cccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O	15240229	ZDMUFUSVYQUKEI-GBWYYYKWSA-N	484.574	2.813	10	40	JFCB	
COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O	20211420	YASYEBGBYWHZJM-HBDSZSESSA-N	463.928	2.761	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	20609351	OJERANKFFHHMFL-ITICKHJUSA-N	453.589	2.926	10	40	JFCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22735716	JWYAPGTYRGDHOX-JOCHJYFZSA-N	459.612	2.656	10	40	JFCB	
COc1ccccc1N1C(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C(=O)NC1=S	2216339	TZWPQWXNNSTYNL-XDJHFCHBSA-N	450.564	2.581	10	40	JFCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)cc(I)c2OC(C)=O)S1	408917308	QUTWRYKXLUODHC-WCIBSUBMSA-N	464.668	2.976	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1	408732846	ZVZIMSXCUHLBML-WLJFKGHSSA-N	492.557	2.881	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1	2497738	QAPCXXAXTDYWGN-JOCHJYFZSA-N	458.584	2.518	10	40	JFCB	
O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](O)C3)O1	5838202	LKCOZWLUAKSRQM-IBUUURQNSA-N	452.415	2.693	10	40	JFCB	biogenic,in-vitro
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(Cl)cc1	20637126	CYEQNKUEAZIPGP-LEWJYISDSA-N	470.957	2.877	10	40	JFCB	
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1	22733954	NHFUSVCYBJHAHW-JOCHJYFZSA-N	454.596	2.529	10	40	JFCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1	100423677	JTGHDKBVIKPMRX-STZFKDTASA-N	465.462	2.912	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1O[C@H](C)C(=O)O	409238747	NRSPCXKLDQBWAZ-HGLKBHAMSA-N	489.278	2.976	10	40	JFCB	
CC(CCC(=O)O)(c1ccc(O)c(CN2CCOCC2)c1)c1ccc(O)c(CN2CCOCC2)c1	4721635	JWNUBAIGCVTLMJ-UHFFFAOYSA-N	484.593	2.933	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(I)c1OC	9601172	OAMIBAAUVFUKGT-XFFZJAGNSA-N	479.317	2.984	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@H]1c1ccccc1	9678596	YWXDSKQZJXAVFZ-INOOMSPWSA-N	489.597	2.635	10	40	JFCB	
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1	13007351	IDDULOXORPVAOG-JOCHJYFZSA-N	456.974	2.769	10	40	JFCB	
Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1	8612202	PXGKUEXGXUFAIE-IBGZPJMESA-N	454.548	2.997	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	16735675	POWCQYYTESIFGI-UKJPIOLTSA-N	487.651	2.828	10	40	JFCB	
CC(=O)[C@H](/N=N/c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1ccccc1C	104124125	GKBYXCGXMKHTMF-KGTUGGSNSA-N	473.555	2.839	10	40	JFCB	
NC(=O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422939	XHBBHGMWNOBTHH-QGMBQPNBSA-N	471.604	3.000	10	40	JFCB	
CN1CCN([C@H](CNS(=O)(=O)c2ccc(Br)cc2)c2ccc(N(C)C)cc2)CC1	23080614	UDPAGWZLILWUJM-OAQYLSRUSA-N	481.460	2.782	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)NC2=S)c(OC)c1	409095983	FCYMGNOANSZYKJ-RIYZIHGNSA-N	458.492	2.561	10	40	JFCB	
Cc1ccccc1NC(=O)COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O	409263487	LGVUZCUFAIMZIA-UHFFFAOYSA-N	458.268	2.524	10	40	JFCB	
Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	15275850	ZLJMSXXEYMSMNR-UHFFFAOYSA-N	472.519	2.748	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc(Cl)cc3)N3CCOCC3)ccc21	16838400	UDCCKUGLFNSJGL-QHCPKHFHSA-N	471.001	2.528	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)O	33741278	KUQJWQITSZGHFR-ZSOIEALJSA-N	461.268	2.773	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)N(c2cccc(OC)c2)C(=O)N=C1O	102582182	COXPCPFIFVGUGZ-MTGKDYNDSA-N	462.462	2.857	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OCC(N)=O	409227153	SLYFXZFLBVTSNG-LZYBPNLTSA-N	471.897	2.886	10	40	JFCB	
CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OCC(=O)NCc2ccco2)cc1	408787952	BIDMIPZLEXTVHX-STZFKDTASA-N	468.506	2.684	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br	409226216	PVLRGVNUZPIIQV-AWNIVKPZSA-N	478.686	2.633	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1	41077846	SLFGWKOUXGPMAL-IQGAPNPZSA-N	498.542	2.844	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)C(=O)O	107890025	WAHLPFCDCKDNGN-KSSSLANASA-N	461.268	2.771	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2	13146385	ZEKYOWCHMFNGBQ-OALUTQOASA-N	478.501	2.890	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C\NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)cc1	38166573	JRZLRZUDUDTCOZ-QNGOZBTKSA-N	450.564	2.581	10	40	JFCB	
O=C(NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccc([N+](=O)[O-])cc1	96936841	WQPZGNFLNSMEFM-YVLHZVERSA-N	457.489	2.955	10	40	JFCB	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O	13670642	WPWDJFCLJYZLEN-INIZCTEOSA-N	451.976	2.648	10	40	JFCB	
CCN1/C(=C\C=c2/s/c(=C3\SC(=S)N(C)C3=O)n(CC)c2=O)Sc2ccc(OC)cc21	100496803	WNWKSAGEFJABLJ-LZQWCEDRSA-N	491.685	2.791	10	40	JFCB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)ccc21	9671121	OVWULVVHUSSCEX-HXUWFJFHSA-N	450.539	2.597	10	40	JFCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCOc1ccccc1OC	20287456	MWNIOUGCLWBLAM-KQWNVCNZSA-N	453.495	2.912	10	40	JFCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCOCC3)ccc21	22734021	UUWVVDQISXTERF-OAQYLSRUSA-N	460.937	2.600	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	727003	WWFMKJGFBZKTFQ-PZHBDVNGSA-N	463.559	2.570	10	40	JFCB	
Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1	21887159	XTLIHLKMYRRKPM-XMMPIXPASA-N	450.583	2.814	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1C[C@@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC	96168988	ZUKNDEHXGQWAPA-OALUTQOASA-N	476.489	2.541	10	40	JFCB	
Cc1c(NS(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C	866364	ROPGDTGSOCYBMU-ZNTNEXAZSA-N	456.528	2.616	10	40	JFCB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)COC(=O)c3cnc(C)cn3)c2C)c1	9119706	MOGDRQAIWVAHPX-UHFFFAOYSA-N	465.462	2.805	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=S)NC(=O)/C1=C\c1cccc([N+](=O)[O-])c1	17223313	RVHMCUNGZACILR-ZONYTPJBSA-N	491.485	2.502	10	40	JFCB	
COc1ccccc1[C@@H](O)CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	32019000	NQRWBQGXOSEPIA-FQEVSTJZSA-N	487.490	2.573	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N3CCCCC3)n(C)c(=O)n4C)C2=O)cc1	408532855	RICLYUGMJHCZQE-SDXDJHTJSA-N	488.548	2.755	10	40	JFCB	
COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c2oc1=O	524730409	IHCMAFXMYUQGGQ-CABCVRRESA-N	484.936	2.957	10	40	JFCB	biogenic
CCOC(=O)N1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)CC1	8857603	ZYNFDNZRVKWEKX-SDXDJHTJSA-N	477.608	2.977	10	40	JFCB	
CC[C@@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O	9254211	GAUGZKHZEYVJEQ-VWLOTQADSA-N	450.539	2.510	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/NC3=CC=C[C@H]4C(=O)c5ccccc5C(=O)[C@H]34)C2=O)c1	101112391	DCXLJAINQRQEKK-QCFZEVRASA-N	453.454	2.817	10	40	JFCB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(N2CCCCC2)cc1)S(C)(=O)=O	10113234	DWIHHWOQHKXWND-UHFFFAOYSA-N	460.556	2.976	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1	409224486	LWMYNXJELBYCJE-UHFFFAOYSA-N	459.911	2.671	10	40	JFCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1cccc(C(=O)O)c1	409190181	MDBGIJFDCISNKW-LDADJPATSA-N	461.455	2.705	10	40	JFCB	
CC(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)S2)CC1	2296484	QWGTUUCEPWANLL-HKWRFOASSA-N	471.560	2.589	10	40	JFCB	
CCOC(=O)CCC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)CCC(=O)OCC)cccc1C2=O	5663332	OBHHNUISIITJSW-UHFFFAOYSA-N	496.468	2.959	10	40	JFCB	
COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c(O)nc3ccccn3c2=O)cc1	96222268	KCCBVZRLKJVZBX-IBGZPJMESA-N	475.501	2.701	10	40	JFCB	biogenic
Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(OC(F)F)cc1	3360105	OJKLMDWOMRMCTC-UHFFFAOYSA-N	463.437	2.752	10	40	JFCB	
Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1C	21887098	VXIOJHQBJDPGRO-XMMPIXPASA-N	450.583	2.814	10	40	JFCB	
Cc1cc(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)c(C)n1-c1ccc2c(c1)OCO2	9223640	NDHHEXHANCNURP-UHFFFAOYSA-N	483.546	2.652	10	40	JFCB	
CC(=O)Nc1cc(S(=O)(=O)O)ccc1N=Nc1ccc(S(=O)(=O)O)cc1NC(C)=O	245238968	DBGAEQACQVRINO-UHFFFAOYSA-N	456.458	2.512	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)CC2)cc1	12637401	FHTYYWNFMHDXGA-IBGZPJMESA-N	493.651	2.769	10	40	JFCB	
COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccccc1Cl	57414976	VUMBHZDFEFEENP-QFIPXVFZSA-N	470.957	2.952	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1	57478280	RMVVKMVVZSEGRU-HSZRJFAPSA-N	468.529	2.828	10	40	JFCB	
Nc1ccc2c(NCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)c3ccc(N)cc3nc2c1	22047734	YWYQMAHVCTUSQN-DPLHUUCSSA-N	493.637	2.806	10	40	JFCB	in-vitro
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409042703	CGZLMKFDDXYLSU-UHFFFAOYSA-N	459.911	2.589	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)c(OC)c1	8821637	WJVBKHDPJSHVKZ-ZCXUNETKSA-N	456.501	2.911	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	13671109	SFQITLNCQOJATQ-RUZDIDTESA-N	493.585	2.796	10	40	JFCB	
CSc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22734003	QJWSVQWOMHFWHI-OAQYLSRUSA-N	454.596	2.529	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)CC2)cc1	9669068	QZYDEFXMYKXNOY-UHFFFAOYSA-N	487.622	2.843	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NCCc3ccccc3)CC2)cc1	22698809	SENRPIAMFYMHRU-UHFFFAOYSA-N	490.604	2.547	10	40	JFCB	
CC(=O)[C@H](/N=N/c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	100067085	PXMLTVJEYHGPEH-OROHLICZSA-N	499.487	2.887	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c1O[C@@H](C)C(=O)O	409228675	CJVKRXVDWIOCIT-MPMPPSQCSA-N	454.504	2.995	10	40	JFCB	
COC(=O)[C@@H]1CN(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)c2ccccc2O1	24990686	GCBQAWSMAWKREN-HNNXBMFYSA-N	455.492	2.619	10	40	JFCB	
CCOC(=O)COc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	34764249	PTHMIYJCUDXZND-DHDCSXOGSA-N	475.295	2.861	10	40	JFCB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)cc1	408891962	WKLOIIXWRBSRMD-UHFFFAOYSA-N	455.275	2.819	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(I)c3)C(=O)NC2=S)cc1	408964932	UDEPHUBCHXBPMG-MDWZMJQESA-N	480.283	2.837	10	40	JFCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(OC)c3OCC(=O)O)SC2=S)cc1	409334337	XEEFUSCSOFAUFV-MHWRWJLKSA-N	474.516	2.713	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccco4)c(OC)c3)C(=O)N=C2S1	41084014	VAFXNIZEPSBJIO-JXPCMBGASA-N	488.503	2.519	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1	107834796	BNARXMRMYRXYHR-UHFFFAOYSA-N	479.558	2.815	10	40	JFCB	
CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OC	409340574	ZOHSQCRJDGAESS-WDZFZDKYSA-N	479.317	2.984	10	40	JFCB	
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1	2643136	YEVILGUZVGDSSZ-UHFFFAOYSA-N	470.503	2.771	10	40	JFCB	aggregator
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	9806053	VGIIEOXCXGKTHS-JDCXBEBJSA-N	477.586	2.873	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1C	409263362	KMPHSFKAGMQIOC-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
CCN1CCN(c2ccc(NC(=O)CN(C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1	8779737	AYCKMVLHFSKCBM-UHFFFAOYSA-N	451.615	2.736	10	40	JFCB	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O	2341275	VBVWCKQACUNTCK-ZKMNFCBKSA-N	474.608	2.832	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	9806058	NNRPWAJCAQHJGM-UBXANZILSA-N	451.548	2.766	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccccc3F)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504524	CZFLYUJIDBTXQF-OFNKIYASSA-N	452.534	2.911	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc(F)ccc4OC)C3)CC2)cc1	13580832	JXOHXTUFPXXXEZ-SFHVURJKSA-N	491.585	2.592	10	40	JFCB	
C[C@@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])C(=O)O	35404776	JGTRCIOOCILPJZ-DOQDJBIESA-N	476.239	2.671	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O	408741461	MDHSBYSFTBTDPA-KTZOAPACSA-N	467.279	2.997	10	40	JFCB	
COc1cc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(N)=O	679299	OYZYMILYNAIHEE-OVCLIPMQSA-N	476.352	2.580	10	40	JFCB	
O=C(COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)NC(=O)NCc1ccco1	9630862	JGBHBBQMZLRGQX-UHFFFAOYSA-N	466.833	2.891	10	40	JFCB	
CN(C)c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)cc1	12554182	UFHNNFQGAKVQKS-UHFFFAOYSA-N	473.595	2.631	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(OC)c1	13007962	FJSMHLVMNSURRM-HSZRJFAPSA-N	466.582	2.978	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)c(C)c1	409254309	WXOPQGHBOHJWSX-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
CCN1C(=O)/C(=C\c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)SC1=S	12343989	JHJWKVGTOSEZCB-NTCAYCPXSA-N	479.605	2.874	10	40	JFCB	
CC(=O)c1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	408655100	CSGCGWMNXLLHHL-VABKMULXSA-N	474.513	2.933	10	40	JFCB	
COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	10113421	YTNFOTHYNFCQIY-INIZCTEOSA-N	482.002	2.656	10	40	JFCB	
COc1ccc(OC)c(N(CC(=O)NCc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1	13671367	PORZVMHMQCOZIZ-UHFFFAOYSA-N	461.584	2.777	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OC(=O)c4ccccc4)c(OC)c3)C(=O)N=C2S1	41084009	KNKONWYGSRXXHS-PMOKRTJVSA-N	498.542	2.926	10	40	JFCB	
N=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101103686	RVQGSOLBLBZUDH-RSRMSENYSA-N	467.482	2.954	10	40	JFCB	
CC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408664955	QBCULPQROXZVJV-ZLNRFVROSA-N	474.513	2.933	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409224630	LKBKURLJCGOORD-UHFFFAOYSA-N	464.261	2.769	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(F)c(Cl)c4)C3)CC2)cc1	585282665	MMBWMODBARKVJH-RUZDIDTESA-N	494.991	2.961	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H](C)NS(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)cc1	9882435	UMNOCEFASUWCFH-FQEVSTJZSA-N	459.612	2.944	10	40	JFCB	
N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101171469	BVUDOHAXVORKLL-LFSVSOHWSA-N	494.489	2.723	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2	102264346	JBMJUORSMHLRLU-KDURUIRLSA-N	480.517	2.766	10	40	JFCB	
O=C1/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	8858024	YMJSJYZRSPBJMO-ZAKVZCPOSA-N	472.592	2.666	10	40	JFCB	
CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)O)c(OC)c2)SC1=S	9973084	MXDCZYKOEMOHMV-WDZFZDKYSA-N	479.317	2.984	10	40	JFCB	
COc1ccc(N2CCN(CN3C(=O)/C(=C\c4ccc5c(c4)OCO5)N=C3S)CC2)cc1	20366939	ZHSDTPMTYQJRCM-XDHOZWIPSA-N	452.536	2.673	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8435152	AZEWREFMJXWLIF-VOSMRYOYSA-N	463.559	2.570	10	40	JFCB	
O=C(CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc2c(c1)OCO2	9805908	HCVAGMQHGBWYHD-RGVLZGJSSA-N	467.503	2.927	10	40	JFCB	
CCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@@H]1CCS(=O)(=O)C1	10232783	JGTBSZXVVGWTPA-WDGDVPDHSA-N	458.652	2.765	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H](NC(=O)c3cccc(C)c3)C(C)C)CC2)cc1	39659198	OOQVICZZNXVFCO-XMMPIXPASA-N	467.566	2.650	10	40	JFCB	
COCCCN1C(=O)/C(=C/N(CCN2CCOCC2)Cc2ccccc2F)SC1=S	20647357	ZBFQPZJDGYLFEP-MNDPQUGUSA-N	453.605	2.698	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1	104204049	MMKWYDMAFMAUDD-GBWQBGJGSA-N	469.508	2.850	10	40	JFCB	
COCCN1C(=O)/C(=C/c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2261097	HZCDORRTIXESGP-ZJYZBMPFSA-N	496.614	2.996	10	40	JFCB	
COc1ccc2c(c1)CCCN2CC(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	27579537	PPLSWPCAULONKH-UHFFFAOYSA-N	491.592	2.618	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	3109111	NCWOMDGSURALIL-FBHQFGEZSA-N	492.557	2.773	10	40	JFCB	
O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CCN(Cc4ccccc4O)C[C@@H]13)O2	253406491	UQBVKNQDKSGEPF-FUDKSRODSA-N	479.577	2.555	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CC(C)C)C(=O)O)C2=O)cc1OC	8870129	MUPFVILOMZWHCF-SWEABUAFSA-N	466.581	2.911	10	40	JFCB	
CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC)C(=O)O)C2=O)cc1OC	8870150	SYULEQZWTKPYSQ-XDUBLRSXSA-N	452.554	2.665	10	40	JFCB	
O=C(C[C@@H](O)CCc1ccc(O)c(O)c1)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	13610587	FKDRTLFRRHQTGU-TYFWRAIDSA-N	498.484	2.892	10	40	JFCB	
CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	222679556	FPHULIKENIHDJZ-QFIPXVFZSA-N	461.584	2.597	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)c(Cl)c1	13647373	CQYQASZLXATHDX-UHFFFAOYSA-N	472.394	2.912	10	40	JFCB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1	27020579	JEWZURCSKWTTDZ-ATVHPVEESA-N	452.561	2.809	10	40	JFCB	
CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408753686	KIKNEUORMQONOL-ZDLGFXPLSA-N	491.503	2.868	10	40	JFCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2)C1=O	3659235	IMYGWSFCOBVAJH-PDGQHHTCSA-N	450.495	2.835	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccc(OC)c(S(=O)(=O)N4CCCCC4)c3)CC2)cc1	14291842	HTOBESDPCRNQQC-UHFFFAOYSA-N	473.595	2.841	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccccc3)CC2)cc1	22246303	LHDCFWLUIDSJEA-VWLOTQADSA-N	479.602	2.934	10	40	JFCB	
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N\c3ccc([N+](=O)[O-])cc3)c(O)c12	104366727	SNUHXDGOPDEGQK-HNENSFHCSA-N	468.425	2.945	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN(c3ccccc3Br)S(C)(=O)=O)CC2)cc1	916555	NUUIPYKQIASRRU-UHFFFAOYSA-N	482.400	2.573	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC	8819435	JXYNHZQFPPPJLQ-IUXPMGMMSA-N	474.516	2.948	10	40	JFCB	
COc1ccc(N2CCN(CCCNC(=O)CCc3nc(=O)c4c5c(sc4[nH]3)CCC5)CC2)cc1	12563056	OTCZEINICOSDBI-UHFFFAOYSA-N	495.649	2.743	10	40	JFCB	
COc1ccc(OC)c(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1	20206426	UJXPMFDSZDQOHB-PRZRADHTSA-N	487.563	2.733	10	40	JFCB	
O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408656603	FWBZMIZBSVMSFI-HBMCJLEFSA-N	477.473	2.639	10	40	JFCB	
Nc1ccc(/N=N/c2c(Br)cc(S(N)(=O)=O)cc2Br)c(N)n1	17426438	HNQJKUMWRVPBQP-VHEBQXMUSA-N	450.116	2.834	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)ccc1OS(C)(=O)=O	20154676	URIARALWHXFPNV-WGAGLLEQSA-N	454.555	2.752	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)Nc3ccccc3)CC2)cc1	22698755	LJFQPJIQYYWMRG-UHFFFAOYSA-N	462.550	2.826	10	40	JFCB	
Cc1cc(C(=O)CN2CCN(Cc3ccccc3)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	22921137	MTSXEGGIOBRAEG-UHFFFAOYSA-N	466.607	2.742	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccc(NC(C)=O)cc1	41108854	BDEXIGWCNHQVSX-UHFFFAOYSA-N	467.478	2.545	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccc(F)cc3)c3ccco3)CC2)cc1	56946032	NGTLKJSTJRYZPT-QHCPKHFHSA-N	480.540	2.723	10	40	JFCB	
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1c3c(c4c(c5c3N2[C@@H]2C=CC=C[C@@H]52)C(=O)NC4)[C@@H]2C=CC=C[C@H]21	242592277	OPNVIWNLUNKLDK-HZKXBSRFSA-N	470.573	2.806	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccccc1Cl	409271812	NINVXACEMANQTQ-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc1OC	8819432	BBDXHWPENNQFRI-UYRXBGFRSA-N	458.561	2.931	10	40	JFCB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(I)c1	408597678	VTELOFXLAVRKFX-VIZOYTHASA-N	465.247	2.676	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(NCCOCCO)nc12	8858098	DQZJJKFJRCSRKL-JXAWBTAJSA-N	488.635	2.958	10	40	JFCB	
COc1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	14269031	ZVMPCSNVKTWIQY-UHFFFAOYSA-N	459.484	2.657	10	40	JFCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	408883340	PIESZFGBUDAAIC-OVCLIPMQSA-N	464.215	2.672	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1	409108988	ZGSWVVCYAHDTRO-LDADJPATSA-N	451.479	2.979	10	40	JFCB	
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1	2377789	ANCHOWIBKSYOKZ-PDGQHHTCSA-N	481.603	2.749	10	40	JFCB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	9124766	VCADRODFWWMHCJ-UHFFFAOYSA-N	492.509	2.508	10	40	JFCB	
C[C@H](C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1	13069600	JGQRCKCFQHUBLC-QRQCRPRQSA-N	495.963	2.766	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3c(C)nc4sc5ccccc5n4c3=O)CC2)cc1	21883965	UYONVDXWTFMYOQ-UHFFFAOYSA-N	470.576	2.737	10	40	JFCB	
Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1	22735303	BYMYWELSHIDNQH-VWLOTQADSA-N	463.626	2.729	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3nc4ccc(-c5ccc(Cl)cc5)nn4c3=O)CC2)cc1	33309442	BQPPCVSWGCEFMW-UHFFFAOYSA-N	478.940	2.569	10	40	JFCB	
COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1OC	409195589	WPPYPBSTRPRMLM-QPEQYQDCSA-N	491.319	2.996	10	40	JFCB	
Cc1ccc2c(c1C)NC(=O)[C@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21	16024531	TXDFHSXTKSUUGO-DEGXZROYSA-N	475.545	2.620	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(N4CCOCC4)SC3=NC2=O)ccc1OC(=O)c1cccs1	41084574	UISMOJZPHQUBSU-YEBHTAKGSA-N	497.558	2.885	10	40	JFCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3cc(C)ccc3C)C1=O)n(C)c(=O)n2C	408534749	WQYCPXOVYAXGFG-SAPNQHFASA-N	490.564	2.919	10	40	JFCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	13511018	YIAFXALCTWNVIV-NDENLUEZSA-N	450.545	2.512	10	40	JFCB	
CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1	21887028	WFXTWXDMMVXDQJ-DEOSSOPVSA-N	466.582	2.596	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c(C)c1	21887147	CFGFWYMBVFDWMJ-XMMPIXPASA-N	450.583	2.814	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NCCCO)nc12	2244583	LRHUQNWKGZFTKR-WJDWOHSUSA-N	456.549	2.792	10	40	JFCB	
O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccccc1N1CCOCC1	9273668	LDSXSPRCYLOLKS-XDHOZWIPSA-N	455.492	2.609	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccs1	20559136	LFCQMCQFZNJXPY-NRFANRHFSA-N	456.568	2.750	10	40	JFCB	
COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCCN2CCOCC2)cc1	112296911	IBYVOBVRVFVEBZ-NKFKGCMQSA-N	479.537	2.940	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409085778	DHNNQVPEASCOAR-UHFFFAOYSA-N	493.251	2.972	10	40	JFCB	
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCC(=O)O)C1=O	9461409	DEIMMTJXRPJHPP-QINSGFPZSA-N	476.580	2.597	10	40	JFCB	
COc1cccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408658170	ICPOYWPUFRUVMT-BHIFYINESA-N	462.502	2.739	10	40	JFCB	
O=C1/C(=C2\C(=O)N(Cc3ccc(F)cc3)c3ccccc32)SC(=S)N1CCS(=O)(=O)O	1823744	HMQMBRGCCRWBLB-WUKNDPDISA-N	478.548	2.832	10	40	JFCB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)C[C@@H](C)O1	11990765	IIBGDNXDVUXBRS-DLRFTTELSA-N	486.619	2.688	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCCC1	16021255	QYXPJYWPGHOFPM-GDNALLQQSA-N	479.508	2.533	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(NCCCN3CCOCC3)nc12	20065866	DXXMZOPYSLWQPG-JXAWBTAJSA-N	487.651	2.747	10	40	JFCB	
C[C@H](Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-])C(=O)O	35404771	JGTRCIOOCILPJZ-WULZRQGASA-N	476.239	2.671	10	40	JFCB	
CC[C@H](C)[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O	8870131	XGHBTTNSKURAKG-SZHCBJNHSA-N	466.581	2.911	10	40	JFCB	
CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCCC3)ccc21	23858019	UREKYKBCVCOCHW-JOCHJYFZSA-N	464.566	2.732	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)CC2)cc1	10257003	NHERUOCDPMRJDF-UHFFFAOYSA-N	474.561	2.804	10	40	JFCB	
COc1ccc(O)c([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1	19848599	WVCURKQSINRASS-PDFGSZSQSA-N	452.507	2.716	10	40	JFCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1	9259856	UCBSLJSCYRBCMV-HYARGMPZSA-N	486.528	2.783	10	40	JFCB	
COCCNC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c2ccccc21	12474916	WODMZMKXSFCZGF-DEDYPNTBSA-N	474.517	2.687	10	40	JFCB	
CC(C)(C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	20548758	RWDICRJTVGAJFP-PAXILDSZSA-N	469.925	2.513	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O	408741464	MDHSBYSFTBTDPA-PCJMVEANSA-N	467.279	2.997	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC	408989813	MGAFYZATYGWYMW-SFQUDFHCSA-N	454.504	2.859	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4cccc(C)c4)CC3)CC2)cc1	24612002	BOZVNYHIMCFOIM-UHFFFAOYSA-N	471.623	2.894	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCc3ccccc3)c3ccco3)CC2)cc1	56946189	VVCDUXMOXVWLPW-XMMPIXPASA-N	476.577	2.627	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	408781296	BZOZARWNXQJBGT-MHWRWJLKSA-N	458.854	2.957	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409075418	YLYDDEIBRLWGHF-CPNJWEJPSA-N	494.481	2.835	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccc4c(c3)OCO4)N3CCCCC3)ccc21	9138234	GRICWYRWHGUHGV-QHCPKHFHSA-N	478.593	2.757	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21	12635670	KAAOTIJMRYFMMU-UGCAPWQASA-N	451.523	2.533	10	40	JFCB	
CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	21887121	UFEXOQBSCFHKGM-HSZRJFAPSA-N	466.582	2.596	10	40	JFCB	
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	409101655	QEOKKCOGFQCRLT-LDADJPATSA-N	456.296	2.952	10	40	JFCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)O)c3)C2=O)cc1OC	409123301	FXINJZPJKATODJ-WQRHYEAKSA-N	468.462	2.609	10	40	JFCB	
COc1cccc(/C=C2\SC(=S)N(CCCC(=O)NCCCN3CCOCC3)C2=O)c1	8819196	AIQKQFGITUYRIQ-MNDPQUGUSA-N	463.625	2.515	10	40	JFCB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)ccc21	9671119	OVWULVVHUSSCEX-FQEVSTJZSA-N	450.539	2.597	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1OC	23858063	HMMYNHXDJHUDMQ-QFIPXVFZSA-N	466.582	2.978	10	40	JFCB	
O=C1N[C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[C@@H](CCOc4ccccc41)O3)N(Cc1ccccc1O)C2	514287489	GBRVWZMEAVGBEW-FKEBYFGASA-N	479.577	2.602	10	40	JFCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(CC(=O)OC)nn(-c2ccccc2)c1O	19894237	LIMOJMLWLLJPII-CPNJWEJPSA-N	474.473	2.643	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104203995	QTEULSNJILANLC-KRXRYSOXSA-N	463.479	2.788	10	40	JFCB	
COc1cc(Br)cc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1O	12506985	IKKMRCGDFKZEGR-QGZVFWFLSA-N	460.288	2.771	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccc(C)cc1	20206213	NCOMTJWGFKLXFA-IQGAPNPZSA-N	498.542	2.844	10	40	JFCB	
N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC(N3CCOCC3)=NN12	41084439	GGTDOCOMBAGZTJ-WSYITQDSSA-N	452.452	2.764	10	40	JFCB	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1	225555356	YJRZOYRSURHERB-HXUWFJFHSA-N	491.057	2.809	10	40	JFCB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1	408658291	IKWPFSIAXJXMHZ-FKBYEOEOSA-N	490.512	2.517	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)CC1	6547505	SGIVPKWGQYEWHX-VKAVYKQESA-N	463.581	2.587	10	40	JFCB	
O=C(CN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)N1CCN(c2ccccc2)CC1	8757024	AQTAVZBCCFNJLS-NKFKGCMQSA-N	492.601	2.908	10	40	JFCB	
CCc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735202	CEROXKXCTWLCBR-RUZDIDTESA-N	463.626	2.675	10	40	JFCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c1O	408844423	INMVHZLIUKXKFS-YRNVUSSQSA-N	498.273	2.976	10	40	JFCB	
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)OC)C2=O)c1	408854812	BSHCQMMUHQZART-SFQUDFHCSA-N	468.462	2.702	10	40	JFCB	
O=C(O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br	408912515	HWWMAXPEBPVNFJ-AWNIVKPZSA-N	463.215	2.718	10	40	JFCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	409132278	PFTVROYHLYSMIQ-YLRSXTQRSA-N	459.593	2.784	10	40	JFCB	
O=C1/C(=C/c2c(N3CCOCC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1	1254582	NODOEXYPHIJORH-JXAWBTAJSA-N	464.572	2.933	10	40	JFCB	
CCOC(=O)N1CCN(c2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC)C2=O)CC1	1447002	MDFHFNQWMQXDJE-SSZFMOIBSA-N	487.607	2.503	10	40	JFCB	
CN1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)C(=O)N(C)C1=O	5940917	NBEKZADGJUDTHV-UHFFFAOYSA-N	472.504	2.638	10	40	JFCB	
O=C1N=C(O)/C(=C\c2c(-[n+]3ccccc3)nc(O)n(-c3ccccc3)c2=O)C(=O)N1c1ccccc1	1256735	FVCAPHYFMOJJLK-UHFFFAOYSA-O	480.460	2.722	10	40	JFCB	
Cn1c(N)c(C(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)c(=O)n(C)c1=O	9715017	MOVSLPNPNFPZFX-UHFFFAOYSA-N	479.537	2.692	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C	33851014	TXDIFVZMDVPREP-YVLHZVERSA-N	469.450	2.785	10	40	JFCB	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	409132161	ZNLIBXMSMQTZHI-STZFKDTASA-N	468.579	2.504	10	40	JFCB	
COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC	409196225	XUKFVXOGLSHNRW-NTUHNPAUSA-N	491.319	2.996	10	40	JFCB	
COCCn1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21	8777619	JGRLEJZVVGSFDG-JCMHNJIXSA-N	481.574	2.826	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1C	22735285	HQSJDZQCBXWDNI-VWLOTQADSA-N	463.626	2.729	10	40	JFCB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)cc2)cc1[N+](=O)[O-]	409349984	WRJJVSDWWCZJBZ-LZYBPNLTSA-N	494.528	2.957	10	40	JFCB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	26840888	JLZHTDDCYDADCR-XNTDXEJSSA-N	469.500	2.781	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(-c4cccc(Cl)c4)nc(C)c(CCO)c3=O)CC2)cc1	67301733	QTQYKGVTKHMEIX-UHFFFAOYSA-N	496.995	2.764	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)C(=O)NC2=S)c1	409221368	PJIIQCSGQNXFLU-HNEYUBDGSA-N	470.503	2.777	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC[C@H]1CCCO1	9601678	WVADNXANAVHIPR-DBRLUCFCSA-N	478.549	2.731	10	40	JFCB	
COc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	408658172	ICPOYWPUFRUVMT-VSKRKVRLSA-N	462.502	2.739	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408659395	JLDWZHONTZTELJ-BHIFYINESA-N	462.502	2.739	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(N3CCC(C(N)=O)CC3)nc12	9215730	NCULNOKVWHFQPH-AQTBWJFISA-N	497.646	2.848	10	40	JFCB	
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22734483	WBOVMBURMDBCTB-QHCPKHFHSA-N	470.017	2.684	10	40	JFCB	
COc1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1[N+](=O)[O-]	96936846	LOWMPVQKYYGCAV-NVMNQCDNSA-N	487.515	2.963	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cc(C)ccc4Cl)C3)CC2)cc1	585283600	SFNQTFGOAREUOG-AHWVRZQESA-N	491.028	2.865	10	40	JFCB	
COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)SC2=S)cc1	8821631	CBJQSXQWVNMEIF-HNENSFHCSA-N	454.529	2.941	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2187692	GYJMRPOWLSJWTA-FOOJEKODSA-N	490.629	2.930	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104204003	QTEULSNJILANLC-ZFZZVZNFSA-N	463.479	2.788	10	40	JFCB	
O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(I)o2)SC1=S	408949712	BVTDWCLQHWMPEU-QHHAFSJGSA-N	474.095	2.933	10	40	JFCB	
CCCOC(=O)CN1C(=O)/C(=C2/C(=O)N(C)c3ccc(Br)cc32)SC1=S	1809482	UHUSNPYDCPAAIP-YPKPFQOOSA-N	455.355	2.950	10	40	JFCB	
NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)CC1	9411429	ZOPDXKJAKHQOCU-JXAWBTAJSA-N	497.646	2.930	10	40	JFCB	
CCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(=O)C=[N+]=[N-]	13544603	IIPZPLSBQVJCBO-BVSLBCMMSA-N	487.601	2.623	10	40	JFCB	
CSCC[C@@H](N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C	20477961	INDSEMYXMYTXGY-ATGUSINASA-N	453.948	2.860	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1ccccc1F	408879807	GVCRQLAXQPLVDK-UHFFFAOYSA-N	480.233	2.779	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1	409168706	RSUIHVMUQBWSEG-UHFFFAOYSA-N	458.367	2.629	10	40	JFCB	
COc1ccc(N(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)Cc2ccccc2)cc1	12528481	JTTYPCXFJVCAOZ-UHFFFAOYSA-N	452.599	2.761	10	40	JFCB	
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c(O)c12	38609709	ZZDLYKYIGJOAOW-VHEBQXMUSA-N	484.424	2.650	10	40	JFCB	
Cc1[nH]ncc1CNCc1cc(I)cc(I)c1O	48277665	QDVFZIWMDLOUSB-UHFFFAOYSA-N	469.064	2.923	10	40	JFCB	
COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c1	84700000	ZNRJNADQSDLDOH-CSCXBHOMSA-N	457.537	2.724	10	40	JFCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408846273	MJKHAIVKOCKZBP-LICLKQGHSA-N	450.900	2.714	10	40	JFCB	
COc1ccc(N2CCN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@H](C(N)=O)C2)cc1	585262108	CJNXAOWAGQTKSD-DEOSSOPVSA-N	458.562	2.577	10	40	JFCB	
CCN1C(=O)/C(=C/c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)SC1=S	2247000	JHJWKVGTOSEZCB-QINSGFPZSA-N	479.605	2.874	10	40	JFCB	
COc1cccc([C@@H]2N[C@@](C)(C(=O)O)[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@H]23)c1O	12402072	DYWHLHUDZWTYTM-VCAMNPENSA-N	464.396	2.713	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	20332066	CGLLOZNTLWSFFP-NMDPYAAQSA-N	480.531	2.824	10	40	JFCB	
Cc1cccc(NC(=O)CN2C(=O)/C(=C3\SC(N4CCOCC4)=NC3=O)c3ccccc32)c1	27018483	GXISZPGSKSZLFY-MRCUWXFGSA-N	462.531	2.653	10	40	JFCB	
COCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3ccccn3c2=O)SC1=S	9461035	LSAPOLHPEAKMJT-SSZFMOIBSA-N	462.597	2.769	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C2=O)cc1	22535528	LLIASOYHAPOCAL-GZQZNAIASA-N	453.545	2.981	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc(O)c(OC)c1	34869163	GNYYDPSMTIBIMG-QCHPHUCNSA-N	493.585	2.687	10	40	JFCB	
CN(CC(=O)c1ccc(O)c(O)c1)C(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S	54360667	XXFOTCCNLVOCLQ-LSCVHKIXSA-N	460.508	2.779	10	40	JFCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	409132275	PFTVROYHLYSMIQ-VXIUPONVSA-N	459.593	2.784	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1	9189244	XMWBPEDFVFIUOZ-UNOMPAQXSA-N	456.955	2.997	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(NCCOCCO)nc12	8857984	IAJUGISDOMSPPN-LGMDPLHJSA-N	476.624	2.671	10	40	JFCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)N[C@H]3C=CS(=O)(=O)C3)C2=O)cc1	10232949	ZFWVTGWQUOWFMT-FDIDWWNZSA-N	450.607	2.828	10	40	JFCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	9633775	RCBYJSPMJRIQJE-QFIPXVFZSA-N	478.574	2.690	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc(O)c(OC)c1	15218861	GNYYDPSMTIBIMG-RQLGBQGVSA-N	493.585	2.687	10	40	JFCB	
CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N3CCOCC3)ccc21	22735693	ZRMHNNNNCMTHJC-RUZDIDTESA-N	455.624	2.910	10	40	JFCB	
O=C(NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S)c1cc(=O)[nH]c2ccccc12	28629057	DGHAXIOTUFXFHU-CXUHLZMHSA-N	452.473	2.983	10	40	JFCB	
CCC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O	8870125	XWYNTGQDEDGPGI-KWWJGWKXSA-N	452.554	2.665	10	40	JFCB	
COc1cc(N2C(=O)NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)c(OC)cc1Cl	2959478	PGAPWVXNKUNACJ-WMZJFQQLSA-N	477.813	2.646	10	40	JFCB	
COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cccc(OC)c3)CC2)cc1	11665956	UQLBHTBYFUNMRB-UHFFFAOYSA-N	487.564	2.600	10	40	JFCB	
O=C(C[C@H](O)CCc1ccc(O)c(O)c1)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	13610590	FKDRTLFRRHQTGU-SGOPFIAHSA-N	498.484	2.892	10	40	JFCB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2C1	59418405	UEMXWCCARULQGK-JAIQZWGSSA-N	466.519	2.525	10	40	JFCB	
[N-]=[N+]=NC[C@H]1OCO[C@H](CN=[N+]=[N-])[C@H]2OCCOCCOc3ccccc3OCCOCCO[C@@H]12	8665525	OVQXDKGGXYRTEB-NCYKPQTJSA-N	494.505	2.624	10	40	JFCB	
COC(CN(C)c1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(CCCC(C)C)C1=O)OC	13591482	ZSGXUPLRFBNJPR-ATVHPVEESA-N	462.503	2.548	10	40	JFCB	
CCCOc1c(I)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC	96193706	REGBIWSEAFWXKA-UHFFFAOYSA-N	458.252	2.522	10	40	JFCB	
O=C(N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O)Nc1ccc(Br)cc1	408532260	QBYUKEZFBPPJQT-FOWTUZBSSA-N	457.284	2.776	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409265174	RCFRZWWGVOWGPF-UHFFFAOYSA-N	480.329	2.934	10	40	JFCB	
CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	10232969	HCEOBNGLOVHOTG-DFSFMLJYSA-N	473.041	2.967	10	40	JFCB	
O=C1/C(=C/c2c(NCCCO)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2	1805221	HPVOLUNEICEMSD-WQRHYEAKSA-N	496.570	2.619	10	40	JFCB	
CN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	2253876	NFUFENMUNHWWBR-JXAWBTAJSA-N	481.578	2.991	10	40	JFCB	
CC(C)OCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)O)C1=O	9462343	NNUDADPWBPIDIL-SSZFMOIBSA-N	490.607	2.988	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCc3nc(-c4cc5ccccc5[nH]c4=O)no3)CC2)cc1	64790032	RAMKPEGUYBEPSJ-UHFFFAOYSA-N	459.506	2.868	10	40	JFCB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1	1481334	LDWZSOPBDAFDNC-SDXDJHTJSA-N	469.636	2.980	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=S)NC(=O)/C1=C/c1cccc([N+](=O)[O-])c1	8665198	RVHMCUNGZACILR-LTSGFECQSA-N	491.485	2.502	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1	16134638	LJOMEDXZSMRQIH-UHFFFAOYSA-N	496.427	2.613	10	40	JFCB	
Cc1cc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c(C)c1	22734498	LMFFXDNZEOQQTB-XMMPIXPASA-N	463.626	2.648	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	409335403	WQPPKAXGZLKAKL-LJJBLSSYSA-N	493.585	2.687	10	40	JFCB	
COc1ccc2c3c(n(Cc4noc([C@@H]5CCC(=O)N5)n4)c(=O)c2c1OC)-c1ccccc1C3=O	604404856	TWUGESPLAOHWGW-HNNXBMFYSA-N	472.457	2.613	10	40	JFCB	biogenic
CCOCCCN1C(=O)/C(=C/c2c(N3CCSCC3)nc3ccccn3c2=O)SC1=S	2324858	AMHZYVSXZDCRAW-PEZBUJJGSA-N	476.649	2.876	10	40	JFCB	
Nc1ccc2c(NCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)c3ccc(N)cc3nc2c1	34704432	YWYQMAHVCTUSQN-ZFGGDYGUSA-N	493.637	2.806	10	40	JFCB	in-vitro
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1O[C@@H](C)C(=O)O	409010280	BPNTXDUJKILKGN-ZRRZQRFHSA-N	489.278	2.976	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(I)c1	408912236	QBVCGFQAIGLDKV-OVCLIPMQSA-N	465.316	2.955	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C[C@H]3C(=O)NCCN3C(=O)c3cccc4ccccc34)CC2)cc1	9926438	PUGDZMKBLJOVGV-VWLOTQADSA-N	486.572	2.528	10	40	JFCB	
CN1CCN([C@@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc3c(c2)CCCN3C)CC1	22734782	CDQGUBLYYUVUEP-DEOSSOPVSA-N	460.578	2.894	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)ccc1OCC(=O)O	409346676	NZHLMVWRYCEQKP-RIYZIHGNSA-N	450.519	2.766	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	4092947	VDMAGFMETDGXLX-AIFLQVKLSA-N	451.523	2.533	10	40	JFCB	
CCCn1c(N)c(C(=O)COC(=O)c2ccccc2/N=N/c2ccc(O)cc2)c(=O)[nH]c1=O	102895058	NXMQCEPHAHQVOG-OCEACIFDSA-N	451.439	2.690	10	40	JFCB	
CCCn1c(=O)c2sccc2n2c(CCC(=O)N3CCN(c4ccc(OC)cc4)CC3)nnc12	35528701	OWUIJVLEJDBNPV-UHFFFAOYSA-N	480.594	2.806	10	40	JFCB	
Nc1[nH]c(=S)[nH]c(=O)c1/N=N\c1c(Br)cc(S(N)(=O)=O)cc1Br	96900870	UHWWJOWAVGOCRB-ZCXUNETKSA-N	484.155	2.602	10	40	JFCB	in-vitro
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	9601677	WVADNXANAVHIPR-IOVUBPJKSA-N	478.549	2.731	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1	35241702	NJGOVQSIGUTPDI-YVLHZVERSA-N	458.517	2.999	10	40	JFCB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3[N+](=O)[O-])C2=O)c(C)c1	408527258	FOTKEFBXUVSZLT-XYOKQWHBSA-N	450.411	2.681	10	40	JFCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O	409095494	HYPFLCWSRGULPJ-CXUHLZMHSA-N	465.462	2.699	10	40	JFCB	
O=C1NCCOCCOc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2CN2CCC[C@@H]12	643572314	AWMSTZOUZZDSIV-VWLOTQADSA-N	482.600	2.638	10	40	JFCB	
COCCN1C(=O)/C(=C/c2cn(CC(=O)NC[C@H]3CCCO3)c3ccccc23)SC1=S	409140358	RMEKJOWITOFAOB-VXIUPONVSA-N	459.593	2.784	10	40	JFCB	
CCN(CC)c1ccc(/C=C2/N=C(c3ccc(S(=O)(=O)N4CCOCC4)cc3)OC2=O)cc1	3207933	GMWIUFFIIAIDGZ-OQKWZONESA-N	469.563	2.898	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(C)n1-c1cccc(F)c1	9637724	BGEXZQKUIUCYHJ-VWLOTQADSA-N	487.495	2.859	10	40	JFCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1I	10113413	HNGSWZYPJFIYBF-UHFFFAOYSA-N	488.347	2.615	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3cc(OC)c(Br)cc3OC)CC2)cc1	48044489	UMEKYVWSXJSLJS-UHFFFAOYSA-N	471.373	2.986	10	40	JFCB	
COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(C)C)(C(=O)O)N[C@H]2c1cccc(OC)c1O	100119668	RWNPWOPGEUVXLG-ZDQHKECQSA-N	468.506	2.729	10	40	JFCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\NC(=O)N(CC(=O)Nc2ccccc2F)C1=O	409121869	YQSPFIRERUVCMJ-WQRHYEAKSA-N	468.485	2.975	10	40	JFCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	16488314	BVLBBVXDSXYHPI-VBKFSLOCSA-N	469.504	2.523	10	40	JFCB	
CC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408664954	QBCULPQROXZVJV-XPWALMASSA-N	474.513	2.933	10	40	JFCB	
CC[C@@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O	8870132	XGHBTTNSKURAKG-CHAKXCOVSA-N	466.581	2.911	10	40	JFCB	
CCS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2	13668429	KSIAUPMOLSVELA-UHFFFAOYSA-N	459.568	2.878	10	40	JFCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=O)N=C2S1	41077799	WIYMPNYEWVVSRZ-UJNQTBGZSA-N	484.515	2.616	10	40	JFCB	
Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	3335513	VWMRCMDXXLMNTJ-UHFFFAOYSA-N	487.603	2.723	10	40	JFCB	
CCCCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC1=S	8858003	BGOFVFMKCFMLQX-ICFOKQHNSA-N	476.624	2.897	10	40	JFCB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)NN(c2ccccc2)C1=O	9123883	WNVLUQVKDFGAJW-RBISFHTESA-N	477.524	2.727	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C	16678306	QRUIWGJYZSPUBL-UHFFFAOYSA-N	475.611	2.762	10	40	JFCB	
CCOc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735279	FYYLADUCDXFYLM-XMMPIXPASA-N	479.625	2.511	10	40	JFCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(N3CCOCC3)o2)C1=O	6973848	HCDWRYSNRVOLKJ-UVTDQMKNSA-N	460.284	2.854	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc1	23471932	JZPCLJKKJDYOLD-BJMVGYQFSA-N	470.522	2.626	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)CC1	8735652	ZHNOAFZCOYUPEX-JXAWBTAJSA-N	493.607	2.596	10	40	JFCB	
Cn1c(=O)c2c(-c3ccc(Br)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3	8990167	GWNGTGIWYITORJ-OAQYLSRUSA-N	498.333	2.999	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccccc3OC)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504465	HKYMCIAFLUTXIT-ZJSXRUAMSA-N	464.570	2.781	10	40	JFCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1S(=O)(=O)NC(C)C	408700912	OCFLRXLUAZFTRS-UHFFFAOYSA-N	461.584	2.743	10	40	JFCB	
COCCCN1C(=O)/C(=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)C(C(=O)OC)=C1C	409185973	UBXGKKKZWGQOHT-STZFKDTASA-N	488.562	2.776	10	40	JFCB	
O=C(OCC(=O)N1CCCCC1)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	8686900	QGOJFLMFMPZWIO-UHFFFAOYSA-N	497.913	2.924	10	40	JFCB	aggregator
COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(OC)cc4O)N[C@](CC(C)C)(C(=O)O)[C@@H]3C2=O)cc1	8868177	IBNFKPAXQRFICF-UKDJSQQHSA-N	468.506	2.729	10	40	JFCB	
COc1c2c(c(O)c3c1[C@@H](O)Cc1cc4c(c(O)c1-3)C(=O)O[C@H](C)C4)C(=O)c1cccc(O)c1C2=O	13370010	HRWPMELFEHBAIH-OTYXRUKQSA-N	488.448	2.945	10	40	JFCB	biogenic
O=C(O)CN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CCCS(=O)(=O)O)SC1=S	30721895	KYXTYXJIYHKQAT-SBLPDQQFSA-N	472.591	2.547	10	40	JFCB	
CC/C(NCCN1CCNCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100158136	DYBIJWBACFCUJX-DTQAZKPQSA-N	452.506	2.720	10	40	JFCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	408533218	OGHSOIAQIGGNHX-PGMHBOJBSA-N	487.608	2.964	10	40	JFCB	
CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	19529599	KAAOTIJMRYFMMU-UKDJSQQHSA-N	451.523	2.533	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(Cl)c3)C2=O)cc1	409069180	CGYIRHIAYYRPCM-AWNIVKPZSA-N	493.255	2.910	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1	409224847	MQQCYHSYAMUEBC-UHFFFAOYSA-N	488.294	2.533	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CCOC[C@](O)(COc4ccc(F)c(Cl)c4)C3)CC2)cc1	585282668	MMBWMODBARKVJH-VWLOTQADSA-N	494.991	2.961	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCCCCn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1	9529806	OMKRTMIJJUXLFQ-UHFFFAOYSA-N	450.539	2.608	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	16022000	GYANDCQRFGDFAY-AJBLAUBNSA-N	469.925	2.513	10	40	JFCB	
CCOC(=O)COc1c(Br)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1OC	98087025	DIHGVLAPUMIMMO-WUXMJOGZSA-N	490.353	2.685	10	40	JFCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCN(C(=S)Nc2ccccc2)CC1	100712561	LZDJXORTPHQMRH-OQKWZONESA-N	493.593	2.805	10	40	JFCB	
COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC	4030186	RGRIZZNPKBFILA-LJQANCHMSA-N	462.568	2.608	10	40	JFCB	
NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)o2)cc1	16429452	QPIHIWQUGPTJFZ-GDNBJRDFSA-N	461.858	2.848	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H](NC(=O)OCc3ccccc3)C(C)C)CC2)cc1	32910122	QBPODBQQGUVDNZ-XMMPIXPASA-N	483.565	2.838	10	40	JFCB	
Cc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	409122890	CFMGTRWWWFJIEO-NDENLUEZSA-N	455.540	2.869	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	727005	WWFMKJGFBZKTFQ-FBHQFGEZSA-N	463.559	2.570	10	40	JFCB	
Cc1ccc2nc(NCCOCCO)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1	8858366	FIQNEOXXLBMKHB-UYRXBGFRSA-N	496.614	2.825	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nnc2n1	12615252	AEGLBKCAWYHPKB-UHFFFAOYSA-N	496.351	2.784	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3cccs3)c3ccco3)CC2)cc1	56946084	RFYPBEAPBQCXEL-NRFANRHFSA-N	468.579	2.646	10	40	JFCB	
COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1	408764624	UZFOYHVEBAIQAS-MHWRWJLKSA-N	473.279	2.976	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(CCO)cc3-n3nc4ccccc4n3)CC2)cc1	21585544	KMCBXOHALLLTCL-UHFFFAOYSA-N	487.560	2.692	10	40	JFCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCN(C(=O)Nc2ccccc2)CC1	100698634	KGGQVUWDOWIIQX-OQKWZONESA-N	477.525	2.641	10	40	JFCB	
Cc1c(N/C=C2/C(=O)N=C(S)N(Cc3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	102520191	DXLQTHACOHGJPK-PDGQHHTCSA-N	465.510	2.774	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)O	408695345	SAFIJGWZFPAMKH-NTUHNPAUSA-N	481.299	2.716	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1	9337325	FWWXVLNXKYFZQL-UHFFFAOYSA-N	469.563	2.867	10	40	JFCB	
Cc1ccc2c(c1C)NC(=O)[C@]21N[C@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21	16024535	TXDFHSXTKSUUGO-YMFVMPCESA-N	475.545	2.620	10	40	JFCB	
O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408656605	FWBZMIZBSVMSFI-QHAWAJNXSA-N	477.473	2.639	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl	13673838	BTUCGWLJVXEQCO-UHFFFAOYSA-N	472.394	2.912	10	40	JFCB	
Cc1cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c2ccccc2n1	22734447	FHHUVYSTAPXDLT-SANMLTNESA-N	486.620	2.579	10	40	JFCB	
O=C1/C(=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)SC(=S)N1[C@@H]1CCS(=O)(=O)C1	40221235	VKYYOLSNNYSFEO-MTOJCTJASA-N	499.595	2.875	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(I)c1OCC	59139809	CKFUKANTRMLMMQ-UHFFFAOYSA-N	474.320	2.687	10	40	JFCB	
COc1ccc(N2CCN(C3=N[C@H](c4ccccc4OC)n4c(nc(C)cc4=O)N3)CC2)cc1	8990125	XAGGHNKYQRBHIF-QHCPKHFHSA-N	460.538	2.720	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1C1CCCCC1	16021253	QYXPJYWPGHOFPM-AHQSTGFLSA-N	479.508	2.533	10	40	JFCB	
COc1cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc(OC)c1OC	22734709	DYDBUUTYIYUVQB-HSZRJFAPSA-N	482.625	2.813	10	40	JFCB	
O=C1c2ccccc2C(=O)c2c(NCCCN3CCOCC3)ccc(NCCCN3CCOCC3)c21	31870609	LZQHTOSKYAEQBZ-UHFFFAOYSA-N	492.620	2.730	10	40	JFCB	
O=C1C[C@H](c2cnn3cccnc23)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96221623	IBZIDKRDICLJMD-LLVKDONJSA-N	473.397	2.766	10	40	JFCB	biogenic
Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	100754583	GYUGRBLPJBDKAW-SFQUDFHCSA-N	451.870	2.717	10	40	JFCB	
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)OC4(CCCCC4)OC3=O)cc2)s1	101268503	DNRYKEDRTPFHGP-UHFFFAOYSA-N	478.552	2.958	10	40	JFCB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(=O)n1Cc1cccc(F)c1	9630861	WYQMIBHCMBFJRS-VMTNTFKOSA-N	497.548	2.778	10	40	JFCB	
Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9672740	XSTMVTCGGJRAMF-UHFFFAOYSA-N	460.585	2.818	10	40	JFCB	
O=C1C[C@@H](c2cnn3cccnc23)c2c(cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)O1	96221622	IBZIDKRDICLJMD-NSHDSACASA-N	473.397	2.766	10	40	JFCB	biogenic
CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)c1	408854053	WOSHWSNBMKQNFA-RIYZIHGNSA-N	471.422	2.773	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1	409223603	HBHIBBKOLDNNGT-UHFFFAOYSA-N	474.336	2.689	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCO2	102129473	ZEKYOWCHMFNGBQ-KDURUIRLSA-N	478.501	2.890	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	2187698	XSDFVFCOCZQLOY-FBHQFGEZSA-N	492.557	2.773	10	40	JFCB	
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)cc1	9363760	MMUBJUBHENMRDT-UHFFFAOYSA-N	468.918	2.735	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cc(OC)cc(OC)c3)C(C)C)CC2)cc1	9715228	RUVYEMMUKNRJPJ-QHCPKHFHSA-N	455.555	2.816	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C	21887143	URPMXOHMIWSYFY-DEOSSOPVSA-N	450.583	2.814	10	40	JFCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c1	41077709	UOFSISSNFHSMSN-OIQQPNLJSA-N	472.504	2.745	10	40	JFCB	
COCCCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C(C(=O)OC)=C1C	408873422	QYZGNVSOKGGTDP-KGENOOAVSA-N	495.532	2.552	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OC(=O)c1ccc(OC)cc1	2807420	UVUBNAIVKXNLAW-UHFFFAOYSA-N	460.895	2.881	10	40	JFCB	
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21	16024529	TXDFHSXTKSUUGO-LIXUUISPSA-N	475.545	2.620	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)O)C2=O)ccc1Br	408762923	NBRVGTYQQSBJSD-NTEUORMPSA-N	459.252	2.887	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)O	409008767	GOAGAHAULDUROI-OXFWXOROSA-N	489.278	2.976	10	40	JFCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409251943	RHEVUZPZVLBKOS-LDADJPATSA-N	486.322	2.961	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	6511949	MUPSJOGBXWURCL-RGEXLXHISA-N	456.524	2.604	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3C)CC2)cc1	9192195	DJOBJSVVIIGVDJ-UHFFFAOYSA-N	473.595	2.516	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNS(=O)(=O)c3ccccc3)c3cccnc3)CC2)cc1	56896372	WWHQWZLBVDRSBY-XMMPIXPASA-N	452.580	2.932	10	40	JFCB	
COc1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)cc1[N+](=O)[O-]	59475181	XGDUZTYFIGWNRN-MDWZMJQESA-N	465.203	2.669	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC(N)=O	107914382	PQQAQJIUDBPCBT-JYRVWZFOSA-N	494.729	2.827	10	40	JFCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	409149084	WZUNUNIYJXSOLZ-KEBDBYFISA-N	469.519	2.718	10	40	JFCB	
CN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S	1119850	RQMTXSXLCCHJBO-JXAWBTAJSA-N	481.578	2.991	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OC	408982377	GRGSJXGJNVPWEX-PDGQHHTCSA-N	452.463	2.866	10	40	JFCB	
COc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OC(C)=O	726006	JGVZVWDBTUHNED-OQLLNIDSSA-N	478.242	2.687	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	8436960	BKADBUAZSAZZEE-XNTDXEJSSA-N	476.283	2.554	10	40	JFCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1	16480181	YXBQPDBQVCMUBZ-PGMHBOJBSA-N	476.514	2.744	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1O	408952355	NLDINFVGNFKPGH-NYYWCZLTSA-N	461.224	2.558	10	40	JFCB	
CCOC(=O)CN1C(=O)/C(=C/c2cc(I)c(O)c(OC)c2)SC1=S	1277135	IOGOTAPWGZCRBN-WDZFZDKYSA-N	479.317	2.770	10	40	JFCB	
O=C(OCC(=O)N1CCc2ccccc21)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	9335538	QVKPQVBXPYYCBX-UHFFFAOYSA-N	497.485	2.847	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)cc1	2287775	JRZLRZUDUDTCOZ-RCCKNPSSSA-N	450.564	2.581	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1c(Br)cc(Br)c(O)c1Br	15015422	JSQKJBUDMZOIFD-UHFFFAOYSA-N	484.951	2.594	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1	22735294	JMTHVVQOXNFIBE-RUZDIDTESA-N	463.626	2.729	10	40	JFCB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CN2CCN(c3ccccc3O)CC2)cc1	12606199	MOPRFTOXTSKNAL-QHCPKHFHSA-N	452.599	2.788	10	40	JFCB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1ccc(N2CCOCC2)cc1	13672591	HOXVBSQEPAGNJZ-UHFFFAOYSA-N	473.595	2.636	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCC(=O)OC	408693959	CZJATYHYKUAWMM-RIYZIHGNSA-N	495.326	2.804	10	40	JFCB	
Cc1cc(/C=C2\NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(I)cc1	408598280	YRUGERWXAWSKCN-NVNXTCNLSA-N	465.247	2.676	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C(=O)NC2=S)cc1	6645209	BQPVUZGGZSKKTM-GDNBJRDFSA-N	492.351	2.719	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCC(=O)Nc1cccc(C)c1	409054879	HAIHKYJVHBVMKB-UHFFFAOYSA-N	488.294	2.533	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)OC(C)C)cc3)C(=O)NC2=S)cc1	409186471	CKBSGHMGBLXGGI-XDHOZWIPSA-N	454.504	2.857	10	40	JFCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC(N)=O)C2=O)cc1OC	409222923	DSCOGNXJSSOCPT-MHWRWJLKSA-N	487.896	2.668	10	40	JFCB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O	13576692	HUWZZKARTFEKPG-ATVHPVEESA-N	477.589	2.573	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3nc4c(Oc5cccc(C)c5C)nccn4c3=O)CC2)cc1	33309007	JCTXQPVWAKPABX-UHFFFAOYSA-N	488.548	2.658	10	40	JFCB	
COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	33732953	VYYXNAJEKQAGKC-DYTQJMLRSA-N	492.269	2.693	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1	20530935	KCRAIXDLIBRQTI-XMMPIXPASA-N	480.565	2.697	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1	104204042	MMKWYDMAFMAUDD-KJXVGZKYSA-N	469.508	2.850	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N1C(=S)NC(=O)/C1=C/c1cccc([N+](=O)[O-])c1	104304010	RVHMCUNGZACILR-SXYCWNMWSA-N	491.485	2.502	10	40	JFCB	
CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1OC	13581458	NGRCTMPIJPOVMS-UHFFFAOYSA-N	461.584	2.697	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1O[C@H](C)C(=O)O	409249782	LLRINQJXJWOFAB-DSQDWWTGSA-N	454.504	2.995	10	40	JFCB	
C[C@@H](C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1	13069602	JGQRCKCFQHUBLC-NYHFZMIOSA-N	495.963	2.766	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2ncccn2)cc1	100334505	OKIZSWHCKYRNIB-GREHKBSCSA-N	493.505	2.696	10	40	JFCB	
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@H]2C(=O)O)SC1=S	256055941	ZXPHBSQHUSYZTG-PBXDPIQXSA-N	473.576	2.693	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1	409222591	CKIXQKTWHWJTQW-UHFFFAOYSA-N	480.329	2.934	10	40	JFCB	
CCN1C(=O)C(=Cc2c(C)n(CC(=O)NC[C@H]3CCCO3)c3ccccc23)C(=O)N(CC)C1=S	5947760	UVGRSQAMBOXTPG-QGZVFWFLSA-N	482.606	2.624	10	40	JFCB	
CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	16021999	GYANDCQRFGDFAY-JKKXWQLISA-N	469.925	2.513	10	40	JFCB	
C[C@@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)O	33914267	UIZSMYRGFGFEOY-QVASGMJFSA-N	476.239	2.671	10	40	JFCB	
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C3=O)o2)cc1	40567572	KMAMBUDAFBCZKZ-PBTLCFMXSA-N	461.473	2.862	10	40	JFCB	
CCOC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC	408692890	XRCGEKAIZHOUSF-RIYZIHGNSA-N	450.875	2.695	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCc3ccc(S(=O)(=O)NCC(C)C)cc3)CC2)cc1	8430330	YDJIGDXZSOPMGA-UHFFFAOYSA-N	459.612	2.911	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)O	10060004	STNSLQWWJFJZEY-ZSOIEALJSA-N	461.268	2.773	10	40	JFCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1C	13477367	CSRRXAPVHYVTFS-CAFBOWOJSA-N	468.991	2.981	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)Nc1ccc(Cl)c(Cl)c1	408753136	LQZOVNZTLRKJKZ-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C(=O)NC1=S	409020815	UFBPKSYXDCOXPB-KWWJGWKXSA-N	454.504	2.941	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)cc1	409214006	WMWFLJCQYASPAP-LSCVHKIXSA-N	471.604	3.000	10	40	JFCB	
CN(CCO)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	1239911	FLUGFJQFMMQVOD-SDXDJHTJSA-N	466.588	2.567	10	40	JFCB	
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(=O)n2c1	9291661	TVADOXLWOMZGME-WJDWOHSUSA-N	490.607	2.906	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)CC2)cc1	9974588	LGTZGTDSFAJIAY-FQEVSTJZSA-N	487.622	2.762	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc1	409018630	NMMIWLLZJKUCRL-UHFFFAOYSA-N	497.592	2.922	10	40	JFCB	
Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1-c1ccc(F)cc1	3252671	CEAKGGXRQYCQOR-UHFFFAOYSA-N	453.470	2.968	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c(C)c1	409267579	OEFGEPOAGGFKPE-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
COc1ccc(CN2C(=O)/C(=C/c3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1	2326501	OHZFBYRSACFUKA-ATVHPVEESA-N	468.560	2.509	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(N3CCC(C)CC3)nc12	16741568	OILFDDBILBPEDP-GDNBJRDFSA-N	458.565	2.525	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)cc1C	409252649	UIMZBQSIRUAMCF-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	12563165	MLBSPRHTUVDNPS-UHFFFAOYSA-N	487.622	2.973	10	40	JFCB	
C[C@@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	16735888	BOWACKKTIDPYLS-QLENYVDCSA-N	466.588	2.931	10	40	JFCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCC(C)CC1	13669847	QIIKIIVXUCGOBZ-UHFFFAOYSA-N	487.622	2.882	10	40	JFCB	
CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(O)c(Br)c3)C(=N)N21	20207339	WDBMRRCNTHYZBC-KLNDLLLBSA-N	457.331	2.555	10	40	JFCB	
COc1cc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2oc(C)cc(=O)c2O)ccc1O	524729831	LKVGJKNATDNUCU-INIZCTEOSA-N	455.463	2.660	10	40	JFCB	biogenic
COc1ccc(CCNC(=O)c2ccc3c(c2NCCO)C(=O)c2ccccc2C3=O)cc1OC	9355083	RRYIHDSRZQQUAW-UHFFFAOYSA-N	474.513	2.856	10	40	JFCB	
CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22734006	QJWSVQWOMHFWHI-NRFANRHFSA-N	454.596	2.529	10	40	JFCB	
Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22735767	GUHAQTFGVJOEDO-NRFANRHFSA-N	450.004	2.993	10	40	JFCB	
CCc1nnc(NC(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4CC)C3=O)cc2)s1	408531008	KALJDQXTKXSCLC-GHRIWEEISA-N	490.545	3.494	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	2187696	XSDFVFCOCZQLOY-PZHBDVNGSA-N	492.557	2.773	10	40	JFCB	
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@H](Cc2ccc(O)c(O)c2)[C@H]2C(=O)N(C3CCCC3)C(=O)[C@H]21	16024533	TXDFHSXTKSUUGO-RISAILHGSA-N	475.545	2.620	10	40	JFCB	
CN1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S	27016327	RXCCXBDYFHNZPH-XDJHFCHBSA-N	477.615	2.848	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1nc2ccccc2c(=O)[nH]1	9235713	RWFZNMJJFVPCBD-MFOYZWKCSA-N	483.527	2.797	10	40	JFCB	
Cc1c(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C	17027538	TXJYRYMOLHFMTL-ATVHPVEESA-N	451.870	2.717	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC	408993962	XSCFSPLNZJTVNG-LDADJPATSA-N	484.530	2.867	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]21	19529597	VDMAGFMETDGXLX-UWHHFBIGSA-N	451.523	2.533	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)CC2)cc1	408973039	XWSASWVXPARIQX-UHFFFAOYSA-N	467.566	2.913	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1C[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)OCC	96168987	ZUKNDEHXGQWAPA-RTBURBONSA-N	476.489	2.541	10	40	JFCB	
COc1ccc(C(=O)NN2C(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)SC2=S)cc1	409351735	YSBSFOMYDJCLNB-APSNUPSMSA-N	459.461	2.878	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1	13959685	SFMDZWXOIJXMDK-YJADQXIJSA-N	493.633	2.686	10	40	JFCB	
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	408552818	VRFVPGBMXHHLHY-VBKFSLOCSA-N	489.916	2.841	10	40	JFCB	
COc1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1	408658171	ICPOYWPUFRUVMT-FKBYEOEOSA-N	462.502	2.739	10	40	JFCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)C(=O)NC1=S	409246421	IEORBFNSHQYRMR-XMHGGMMESA-N	451.548	2.926	10	40	JFCB	
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)O	4705988	VCCBSXQXECFSJO-VHEBQXMUSA-N	468.425	2.945	10	40	JFCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22735719	JWYAPGTYRGDHOX-QFIPXVFZSA-N	459.612	2.656	10	40	JFCB	
CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1OCC(N)=O	409212474	MOYWJPWIZHKZQH-WQRHYEAKSA-N	487.559	2.504	10	40	JFCB	
CCN(C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S)[C@H]1CCS(=O)(=O)C1	10232784	JGTBSZXVVGWTPA-JMRXEAOASA-N	458.652	2.765	10	40	JFCB	
COc1cc(C)c(C)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22735870	DCJXLKJJFYDZDM-HSZRJFAPSA-N	472.655	2.571	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2	8894694	ZCNYFIHKRGAEQQ-UHFFFAOYSA-N	459.458	2.997	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H](C)N(c3cc(Cl)ccc3OC)S(C)(=O)=O)CC2)cc1	9669011	FLXVHOJSDFAGMI-MRXNPFEDSA-N	482.002	2.861	10	40	JFCB	
CCOc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1ccco1	15934958	FKURCSDKQOQKAR-JXPCMBGASA-N	488.503	2.519	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C/Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)ccc1Br	16282182	ZLTSTHYLGFJTSH-WQLSENKSSA-N	456.256	2.506	10	40	JFCB	
CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C	33907824	ZIBUOJTXTATLOI-YLRGQORSSA-N	493.570	2.719	10	40	JFCB	
Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1[N+](=O)[O-]	408662096	MVLMGAXXBYUPHS-RZUBCFFCSA-N	491.500	2.947	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(I)c1O	408914190	XIIPMASKRRIYPS-LFYBBSHMSA-N	482.205	2.811	10	40	JFCB	
CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1Cl	16692432	WDQKGRCSJCJEIA-UHFFFAOYSA-N	482.002	2.717	10	40	JFCB	
CCc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22735211	WBDOYXMGZHEBKF-VWLOTQADSA-N	463.626	2.675	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3cc(N4CCCC4=O)ccc3C)CC2)c([N+](=O)[O-])c1	9614342	UGBMVIXCLQHAKA-UHFFFAOYSA-N	474.539	2.550	10	40	JFCB	
Nc1nc(SCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc(-c2ccco2)n1	13150240	JXMMKDUFNIFWHG-UHFFFAOYSA-N	459.553	2.863	10	40	JFCB	
CCc1ccc([C@@H]2NC(=O)NC(CN3CCN(c4ccc(OC)cc4)CC3)=C2C(=O)OC)cc1	57415238	VFLQOECKHKEWDW-DEOSSOPVSA-N	464.566	2.861	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4cc(Cl)ccc4C)c3=O)CC2)cc1	67673633	JQMARZNEUNMSHA-UHFFFAOYSA-N	492.967	2.901	10	40	JFCB	
COc1ccc2c(c1)C=C[C@@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H](C(C)=O)N21	101489077	MEEGLZQSUOWDJS-BRKWEVRTSA-N	463.446	2.591	10	40	JFCB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1cc2c(cc1N1CCN(C)CC1)n(C)c(=O)n2C	408533211	RTJJSGNHPZWRBD-SILNSSARSA-N	473.581	2.656	10	40	JFCB	
Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)N1CCOCC1	10113222	LTMUPMXUSJBCOA-UHFFFAOYSA-N	457.596	2.936	10	40	JFCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)c(OCC(=O)N2CCOCC2)c(Cl)c1	33668582	WETOIJJSPYRCEA-YBEGLDIGSA-N	476.316	2.692	10	40	JFCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	17167190	GQJCCNVURBPMOO-WQRHYEAKSA-N	456.476	2.848	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3nnc(-c4ccc(OC)cc4)s3)C2=O)cc1	408535661	UDZZMPFWLMNLHW-SFQUDFHCSA-N	465.491	3.191	10	40	JFCB	
Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1	22735306	BYMYWELSHIDNQH-RUZDIDTESA-N	463.626	2.729	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C	409255951	MPQJLKDRIPDFOR-UHFFFAOYSA-N	457.870	2.732	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(N2CCCCC2)cc1	13671866	LSLRJMIHTYRPDC-UHFFFAOYSA-N	457.596	2.936	10	40	JFCB	
C[C@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-])C(=O)O	33914265	UIZSMYRGFGFEOY-BNDQCTAISA-N	476.239	2.671	10	40	JFCB	
CCOc1ccccc1[C@@H]1NC(=O)NC(CN2CCN(c3ccc(OC)cc3)CC2)=C1C(=O)OC	57415757	KNGQUHRUCPDZBP-DEOSSOPVSA-N	480.565	2.697	10	40	JFCB	
CC(C)n1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc21	225718639	BKFRHBBQTNPIIX-UHFFFAOYSA-N	460.625	2.874	10	40	JFCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)c2cc(Br)ccc21	409145486	NWSUZRNMUMBQCB-VGOFMYFVSA-N	464.341	2.614	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)ccc1OCC(N)=O	409223612	GLQDSAVQEUXLFM-OVCLIPMQSA-N	457.870	2.578	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(N3CCOCC3)nc12	1474159	VXFGSFAQCCSZSJ-ATVHPVEESA-N	468.560	2.834	10	40	JFCB	
C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1)C(=O)O	12381027	AXPXVTXZVICJFY-FFCYNSPCSA-N	459.252	2.967	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc(Br)c1O	409194612	PSOOYCPEICAXHS-WUXMJOGZSA-N	477.292	2.693	10	40	JFCB	
C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)Nc1ccc2c(c1)OCCO2	10959413	WBLWRRAOFPEAMA-CYBMUJFWSA-N	472.453	2.999	10	40	JFCB	
COc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1O	19848482	JRTOHKDXBKZGGE-ZDQHKECQSA-N	452.507	2.716	10	40	JFCB	
CC(C)(C)N1C(=O)[C@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	103517695	RWDICRJTVGAJFP-FRALIIAYSA-N	469.925	2.513	10	40	JFCB	
CNS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	9662400	NOOFZUOIRGSTMI-CQSZACIVSA-N	492.509	2.554	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	20609352	OJERANKFFHHMFL-ZPBCLNFZSA-N	453.589	2.926	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)N4CCCCC4)ccc3OC)CC2)cc1	408700587	IIQQXKDIOMNOGG-UHFFFAOYSA-N	473.595	2.841	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1	10906462	HBQBBLUXYUOFAN-UHFFFAOYSA-N	472.394	2.767	10	40	JFCB	
CCN(C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	54360662	DRTLIBISZWOUMG-BUYRESAOSA-N	459.014	2.577	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(N4CCOCC4)cc3)C2)cc1	225520638	BIEQCFFEOVRPBQ-OAQYLSRUSA-N	457.596	2.549	10	40	JFCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408881960	LDRXBSGNJTXNTG-LICLKQGHSA-N	495.351	2.823	10	40	JFCB	
COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1	8818979	NYGJQEDISVOGKW-BKNIFWKGSA-N	478.460	2.993	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(N)=O	409227999	YYOGXCMYMRSRQH-WLRTZDKTSA-N	478.288	2.841	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	6601088	TXEYHEQHEMYQAF-CPNJWEJPSA-N	481.486	2.659	10	40	JFCB	
CC[C@H](C)[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=S)C(=O)O	8870133	XGHBTTNSKURAKG-VEAURQBPSA-N	466.581	2.911	10	40	JFCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCCN1CCN(C(=O)Nc2ccccc2)CC1	20828121	KGGQVUWDOWIIQX-XLNRJJMWSA-N	477.525	2.641	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OCc1ccccc1	41077805	OFEMWPUIJDLMBT-HUHIGAQKSA-N	470.532	2.895	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)NC2=S)c(OC)c1	409100992	WIRHUUIWWWKWLL-GXDHUFHOSA-N	458.492	2.561	10	40	JFCB	
C[C@@H](Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I)C(=O)O	33560368	WBRIHAKBWZMOEJ-RLIURORJSA-N	478.242	2.605	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1	36709084	IAJQJUQJOVVDPU-UHFFFAOYSA-N	486.516	2.988	10	40	JFCB	
COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(OC)cc3)CC2)cc1	56946073	YKWOSJSDQFZTKK-XMMPIXPASA-N	492.576	2.593	10	40	JFCB	
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCN(C)CC3)C2=O)cc1	8820105	OQOQMMAZTYASJG-MNDPQUGUSA-N	490.651	2.513	10	40	JFCB	
COc1cccc(CN2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)c1O	9763559	WLXASAPCAXOIMP-UHFFFAOYSA-N	467.566	2.686	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	59536325	DEFDALGSBSZYSQ-UHFFFAOYSA-N	464.883	2.564	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cc(F)ccc4OC)CC3)CC2)cc1	10323834	RKZALWZFYXIRKQ-UHFFFAOYSA-N	491.585	2.592	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)CNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1	12536460	VMZNUWOLCZAHKQ-UHFFFAOYSA-N	480.348	2.624	10	40	JFCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3[nH]c(O)nc3cc2Br)C1=O	408530499	IZLPLLQZHXHYHG-CMDGGOBGSA-N	472.255	2.618	10	40	JFCB	
O=C(COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCN1C(=O)CSC1=S	102403041	OITFFHBAKVLXAF-NYYJTOMGSA-N	489.457	2.630	10	40	JFCB	
CCOC(=O)N1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1	12032431	MYDLCHQAFUSRON-DTQAZKPQSA-N	483.015	2.737	10	40	JFCB	
Cc1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	33458006	ABIUSKFCSDNRBO-BOPFTXTBSA-N	469.523	2.936	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc(O)c(OC)c1	34869164	GNYYDPSMTIBIMG-VZIOXZNFSA-N	493.585	2.687	10	40	JFCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCOc1ccccc1OC	20287461	ZUTAOYYKNVEBPJ-JCMHNJIXSA-N	468.466	2.812	10	40	JFCB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2C=C2C(=O)NC(=S)NC2=O)cc1	408899210	OBHZMENOLCOQIC-UHFFFAOYSA-N	452.513	2.830	10	40	JFCB	
Cc1cc(C)cc(N(CCCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)S(C)(=O)=O)c1	225870436	HIXOIFMEMIEUGG-UHFFFAOYSA-N	472.655	2.918	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	245230603	VDMAGFMETDGXLX-UPUUWEMXSA-N	451.523	2.533	10	40	JFCB	
CCN(C(=O)CSc1ncc(-c2ccccc2)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	9126818	BCDPWHLIJJWSNF-UHFFFAOYSA-N	490.589	2.713	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)c3cc4cc(OC)ccc4n3C)CC2)cc1	13685422	AFXZJPVSUSFVEE-KRWDZBQOSA-N	450.539	2.663	10	40	JFCB	
Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1C	21887100	VXIOJHQBJDPGRO-DEOSSOPVSA-N	450.583	2.814	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4F)CC3)CC2)cc1	24613112	LMNCESIHCGMMFV-UHFFFAOYSA-N	475.586	2.725	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ccccn2)cc1	104214167	VGMJLSSBYDZHOD-ZFZZVZNFSA-N	463.479	2.788	10	40	JFCB	
CN(C)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3cccc4ccccc34)C1=O)n(C)c(=O)n2C	408526739	CHCKOIGDVFPLND-SAPNQHFASA-N	484.516	2.675	10	40	JFCB	
CCOC(=O)N1CCN(c2cc(NCCCN(C)C)c3c(c2N)C(=O)c2ccccc2C3=O)CC1	9410267	JWCYYTWFFKSPPK-UHFFFAOYSA-N	479.581	2.686	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(Cl)cc1	20637123	CYEQNKUEAZIPGP-NHCUHLMSSA-N	470.957	2.877	10	40	JFCB	
CCCCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccc(C)cn3c2=O)SC1=S	2329874	HMJFKUNRDINWGA-LGMDPLHJSA-N	457.625	2.756	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3I)CC2)cc1	3555471	VZTIBXBYTCHDCR-UHFFFAOYSA-N	480.302	2.805	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12	3667884	XVYLZGKLDKZWGI-GQTRWRLGSA-N	472.592	2.771	10	40	JFCB	
COC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	16189836	WBCIIHHVCCLPKH-GDNBJRDFSA-N	459.252	2.667	10	40	JFCB	
COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)cc1Br	409191695	KXFNSMAUMDRMCH-MDWZMJQESA-N	461.293	2.987	10	40	JFCB	
O=C1/C(=C/c2ccc(I)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1	13424020	ZSJSANVUFQOECW-ZWIPKHHJSA-N	465.359	2.680	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)O	2905810	WZWHHSADKULTIG-LQELWAHVSA-N	458.467	2.908	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccccc3)c3ccco3)CC2)cc1	56945960	MZTRYWFQCMMXAZ-QHCPKHFHSA-N	462.550	2.584	10	40	JFCB	
CCOc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22735053	KNPYUWQXBAZYSM-RUZDIDTESA-N	479.625	2.511	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC	408984511	RPHIQPNZIURTJA-NVNXTCNLSA-N	458.854	2.875	10	40	JFCB	
CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)o2)cc1	27570541	UDVRXNDJGMJHAM-UNOMPAQXSA-N	485.905	2.886	10	40	JFCB	
COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408955449	UMJCBPBBNDRGNE-LFYBBSHMSA-N	475.251	2.861	10	40	JFCB	
CCOC(=O)c1cc(-c2ccccc2)sc1N/C=C1\C(=O)NC(=S)N(CCOC)C1=O	9634095	VFSHFTBJEXBQKB-NTCAYCPXSA-N	459.549	2.777	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(Br)c3)nnc2n1	16689844	MDOBERXBYFFTIE-UHFFFAOYSA-N	451.354	2.876	10	40	JFCB	
CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(O)c(Br)c3)C(=N)N21	20207092	NXSQLTXDJPPHCC-CJWGJNLSSA-N	471.358	2.802	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)cc1	32910686	MQACHIVJIGVLNS-QHCPKHFHSA-N	489.519	2.620	10	40	JFCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCN(CCO)CC4)c3oc2=O)cc1OC	20605098	TXQIVEFDAQGUCB-UHFFFAOYSA-N	454.523	2.601	10	40	JFCB	biogenic
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@H]21	245230602	VDMAGFMETDGXLX-FBROZUCGSA-N	451.523	2.533	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc4c(cc3N3CCCC3)n(C)c(=O)n4C)C2=O)c1C	408532086	LWYZBUFQOLGEFK-VKAVYKQESA-N	488.548	2.673	10	40	JFCB	
COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(C)CCCN(C(C)=O)c2ccccc2C1	643554078	KGXTUTHGUJPBJN-UHFFFAOYSA-N	480.609	2.863	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(=O)[nH]n4)cc(C)c3C)CC2)cc1	15866652	GXPKQDXKJICWDE-UHFFFAOYSA-N	454.552	2.573	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccccc3Cn3ccnc3C)[C@H](C(=O)N(C)C)C2)cc1	257266018	MBGGNWDDWIQGDP-DEOSSOPVSA-N	461.566	2.668	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)N4CCC(C(N)=O)CC4)c4ccccc34)[C@H]21	1565524391	LRIXQQMCYGYIGZ-SANMLTNESA-N	471.561	2.512	10	40	JFCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)C(=O)NC1=S	9323251	IDZQNDWPBVUOHA-RIYZIHGNSA-N	475.320	2.983	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21)NCc1ccco1	13425243	JLDOSNNAMYGDBW-RGVLZGJSSA-N	472.457	2.806	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1OC	108162028	JNAMXVZJHSELFF-UHFFFAOYSA-N	489.937	2.679	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)COc3cccc(C(F)(F)F)c3)CC2)cc1	23472254	URYQZFFZEFTONC-UHFFFAOYSA-N	452.429	2.985	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1O	408949630	IOEINJJOSIWWDI-NYYWCZLTSA-N	461.224	2.558	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)n1C[C@@H]1CCCO1	409197566	IUAYKTUUTVSKPQ-JHBOHYQCSA-N	451.479	2.675	10	40	JFCB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-]	8832691	IBZIXVQORRKQBP-UHFFFAOYSA-N	489.510	2.747	10	40	JFCB	
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	9467082	DQXLANXORJCLAR-UHFFFAOYSA-N	456.454	2.682	10	40	JFCB	
C[C@@H](C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)N1CCN(C(=O)[C@H]2CCCO2)CC1	13069605	JGQRCKCFQHUBLC-OYHNWAKOSA-N	495.963	2.766	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)cc1	57478282	RMVVKMVVZSEGRU-QHCPKHFHSA-N	468.529	2.828	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1OC	9135664	LVLGARPANWSEBJ-QFIPXVFZSA-N	466.582	2.978	10	40	JFCB	
C[C@H](NC(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1	408670801	YFHQVAROCCVEOR-XSEFMFLKSA-N	460.530	2.970	10	40	JFCB	
CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1	408857006	KGIASHZDISKAAP-OQLLNIDSSA-N	469.406	2.542	10	40	JFCB	
COc1cccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]23)c1O	4077695	JRTOHKDXBKZGGE-GBWYYYKWSA-N	452.507	2.716	10	40	JFCB	
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	35104040	VRTCDHGBVLHLAA-PDICVPPASA-N	490.266	2.759	10	40	JFCB	
COCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S	8739549	JLCOUPBBRGMYNS-ZAKVZCPOSA-N	474.608	2.546	10	40	JFCB	
O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1	20573646	NZPNCGIJKRUSGM-HKWRFOASSA-N	470.595	2.809	10	40	JFCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCOCC3)ccc21	22734025	UUWVVDQISXTERF-NRFANRHFSA-N	460.937	2.600	10	40	JFCB	
CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3c(c2)n(C)c(=O)n3C)C1=O	408537111	ZEMAYQXYUYQNLR-RVDMUPIBSA-N	498.337	2.781	10	40	JFCB	
NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	409219183	KEVBQZQMXYUXDE-LFYBBSHMSA-N	452.225	2.663	10	40	JFCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1	9348147	FNSMHQKIZBSHDH-RELWKKBWSA-N	478.549	2.802	10	40	JFCB	
COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)Cc3ccc(F)cc3)CC2)cc1	11665984	OVFJEFFLTVUQMR-UHFFFAOYSA-N	489.555	2.660	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504523	CZFLYUJIDBTXQF-NZQKXSOJSA-N	452.534	2.911	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3(Cc4ccccc4)CCOCC3)[C@@H](C(=O)N(C)C)C2)cc1	585261996	VRLQTYDBZCXZJC-XMMPIXPASA-N	465.594	2.840	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)O)cc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408831597	WFHMAYGETQRFDO-FBHQFGEZSA-N	491.569	2.563	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409065557	TXQIOFZWQPASDB-UHFFFAOYSA-N	485.301	2.909	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(OC)cc3Br)C2=O)cc1	409210503	JFQDKEFDKQDXMO-RIYZIHGNSA-N	489.278	2.919	10	40	JFCB	
Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	13670008	UMVVRCJQENCJHP-QGZVFWFLSA-N	466.003	2.956	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3Cl)N3CCOCC3)ccc21	21887130	TXYGXITZCBPMSV-JOCHJYFZSA-N	456.974	2.851	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCC(=O)OC	408917323	RCVWGKXGXJHOHK-YBEGLDIGSA-N	458.467	2.608	10	40	JFCB	
COC(=O)c1nc(-c2ccccc2)oc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1	606422469	PPKZNDCBFRUNEY-UHFFFAOYSA-N	457.508	2.648	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	678386	AZEWREFMJXWLIF-FBHQFGEZSA-N	463.559	2.570	10	40	JFCB	
CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CC(=O)O)C1=O	1877194	MCUGPGDQZWWREZ-PTNGSMBKSA-N	460.581	2.915	10	40	JFCB	
CC(=O)O[C@@H]1[C@H](Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O	8952770	VSDDSBSJVSEXOW-BPHNFWMXSA-N	496.468	2.990	10	40	JFCB	biogenic
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4C)CC3)CC2)cc1	24611195	PHZLTTXLESXGCT-UHFFFAOYSA-N	471.623	2.894	10	40	JFCB	
O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2cc(=O)[nH]c3ccccc23)C1=O	28629062	YMFCQTZOGDGIRL-RQZCQDPDSA-N	481.511	2.538	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCn4ccnc4)c4ccccc34)[C@H]21	1616044655	NICXOYDAXRTGMI-VWLOTQADSA-N	454.534	2.801	10	40	JFCB	
Cc1ccc2nc(NCCO)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1	8834842	VOKVFAAPJDRJHG-NVMNQCDNSA-N	496.570	2.537	10	40	JFCB	
COc1ccc(OCC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22734890	ZGZMAMBIRYHHRP-RUZDIDTESA-N	452.599	2.561	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCC(=O)N4CCCC4)c4ccccc34)[C@@H]21	1565524601	OYSCLDGUFFPSDM-AREMUKBSSA-N	471.561	2.527	10	40	JFCB	
COCCN(C(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	9245067	QZOATILOPUZWDP-VAWYXSNFSA-N	479.581	2.875	10	40	JFCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC(=O)CSc2nncn2C)cc1	9726047	JGIZTSBHJSXCTG-UHFFFAOYSA-N	480.594	2.655	10	40	JFCB	
COc1ccc(N([C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1Cl	13671006	HWBNMKGKNGWCTM-MRXNPFEDSA-N	482.002	2.656	10	40	JFCB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)C[C@@H](C)O1	16134535	FCCVOPUECMGCHS-BGYRXZFFSA-N	487.622	2.593	10	40	JFCB	
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N\c1ccc([N+](=O)[O-])cc1S(=O)(=O)O	17311127	VCCBSXQXECFSJO-HNENSFHCSA-N	468.425	2.945	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)c3cc4cc(OC)ccc4n3C)CC2)cc1	36584596	AFXZJPVSUSFVEE-QGZVFWFLSA-N	450.539	2.663	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)C(=O)N=C2S1	41083905	CXRYRDIWPPFGKM-TUQWILOLSA-N	489.491	2.875	10	40	JFCB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	98002891	KULROHLNGIPXDO-NVMNQCDNSA-N	487.515	2.963	10	40	JFCB	
COc1cc([N+](=O)[O-])ccc1NN/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O	408528291	FRTGIJGORYKDKO-UKTHLTGXSA-N	490.270	2.758	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1	13504440	DXZOKGYOGUXPMZ-DNQXCXABSA-N	465.577	2.969	10	40	JFCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2Br)n(C)c(=O)n3C)C1=O	408529739	HUWKWSVWNBWWBZ-ZRDIBKRKSA-N	484.310	2.527	10	40	JFCB	
COc1ccc(C(=O)NN2C(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)SC2=S)cc1	409331650	OCDIGVHZWHGTHC-OQLLNIDSSA-N	461.477	2.864	10	40	JFCB	
CSc1nc2nc(C)c(CCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(C)n2n1	10907470	PMPJPKYOXSFKOA-UHFFFAOYSA-N	454.600	2.891	10	40	JFCB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	12553123	OJWCPRLYVHEPNX-DUIUGDAFSA-N	493.029	2.713	10	40	JFCB	
C[C@@H](C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)N1C(=O)c2ccccc2C1=O	95946604	ORHOUHMBTCFFJX-AWEZNQCLSA-N	482.448	2.628	10	40	JFCB	
CC(=O)Nc1cc(S(=O)(=O)O)ccc1/N=N/c1ccc(S(=O)(=O)O)cc1NC(C)=O	4266103	DBGAEQACQVRINO-FMQUCBEESA-N	456.458	2.512	10	40	JFCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(CCN(C)C(C)=O)cc4c(c3OC)OCO4)C2=O)cc1	12660604	YONGPPQOMNDUNM-MOSHPQCFSA-N	493.516	2.674	10	40	JFCB	biogenic
CSCC[C@H](N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC(C)(C)C	2589335	INDSEMYXMYTXGY-GOFCXVBSSA-N	453.948	2.860	10	40	JFCB	
COc1ccccc1N1C(=O)C(=CNCCCN(C)C)C(=O)N(c2ccccc2OC)C1=S	19997753	XYUDRROLOGMUBP-UHFFFAOYSA-N	468.579	2.794	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Cl)c1OCC(=O)Nc1cccc(C)c1	409046249	JTCBAQWKHVBDMP-UHFFFAOYSA-N	473.938	2.979	10	40	JFCB	
CN1CCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)CC1	1565524613	MCETWMCWTDJVLN-AREMUKBSSA-N	457.578	2.952	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	12412459	FGSKEFMPVGFBOT-FGGAIWKESA-N	463.559	2.570	10	40	JFCB	
CCN(CC(=O)N1CCN(c2ccc(OC)cc2)CC1)S(=O)(=O)c1ccc(Br)cc1	16678308	XHUFESHIFXDDTL-UHFFFAOYSA-N	496.427	2.817	10	40	JFCB	
Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)C1=O	409015510	SIVLEPBSOQXGHM-RVDMUPIBSA-N	460.284	2.854	10	40	JFCB	
CNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	9662399	NOOFZUOIRGSTMI-AWEZNQCLSA-N	492.509	2.554	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccn(Cn4nc(C)c(Br)c4C)n3)CC2)cc1	27973639	ZSRQZOHMYSUNHQ-UHFFFAOYSA-N	473.375	2.936	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	8809821	AGZQEEJYOYJWAQ-NWKGEQBZSA-N	491.569	2.593	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc(OC)c1OC	13639155	FJZFQVKXMNWSFL-WJDWOHSUSA-N	466.562	2.807	10	40	JFCB	
COc1ccc(N2CCN(C[C@@H](O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1	19909147	YVVKGFCSLWXBTM-LJQANCHMSA-N	450.535	2.852	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)cc1Cl	22734541	BOWRJCKOBOBFAG-HSZRJFAPSA-N	470.017	2.684	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3cc(OCC)ccc3OCC)nnc2n1	32858214	CXINDCLDCPXBTC-UHFFFAOYSA-N	460.564	2.911	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3c(=O)n(CCC(C)C)c(=O)c4ccccc43)CC2)cc1	57526127	RQFSAGKDGJKSGQ-UHFFFAOYSA-N	464.566	2.567	10	40	JFCB	
CC1=NN(C(=O)CC(=O)NC(=O)/C=C\c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1	102937844	MAOPWWYONTVTMB-AOTSVXINSA-N	462.422	2.538	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1Cc1cccc(F)c1	408882600	ROOVRLCCNSAVFG-UHFFFAOYSA-N	480.233	2.779	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1	13504438	DXZOKGYOGUXPMZ-BJKOFHAPSA-N	465.577	2.969	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	35374993	GYANDCQRFGDFAY-CGJWLDQMSA-N	469.925	2.513	10	40	JFCB	
CS(=O)(=O)N(CCCC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1	113965981	NNOGKXKKJMTESE-UHFFFAOYSA-N	467.538	2.664	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(NCCCOC)nc3ccccn3c2=O)SC1=S	8858019	FXZBNAREHVHHKW-PEZBUJJGSA-N	462.597	2.771	10	40	JFCB	
CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cc(F)ccc3F)N3CCOCC3)ccc21	22735466	QPRWXZMCYQFECL-OAQYLSRUSA-N	451.539	2.699	10	40	JFCB	
O=C(CN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1	100972433	BTYVKQGDOJWIOI-KGYDGOCLSA-N	493.566	2.916	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)CC2)cc1	22230104	NOPYGOHTLIBURA-JOCHJYFZSA-N	473.595	2.514	10	40	JFCB	
CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O)c(Br)c3)C(=O)N=C2S1	41085241	DLFKHOGOGJUHLI-CJWGJNLSSA-N	471.358	2.802	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1OC(C)C	96193707	SEQYJWXEDBXNQG-UHFFFAOYSA-N	458.252	2.521	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4Cl)s3)CC2)cc1	224207971	TUNPOOHPUZYKTN-UHFFFAOYSA-N	493.998	2.963	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554095	ZBDXCZBUEQNOAR-UHFFFAOYSA-N	464.261	2.769	10	40	JFCB	
CCCN1C(=O)/C(=C\c2cc(I)c(OCC)c(OC)c2)C(=O)N(C)C1=O	575442988	JSHKFILEEBBPQB-WQLSENKSSA-N	472.279	2.913	10	40	JFCB	
O=C(O)COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	1105914	VEQRCFVFBNBFTH-ZROIWOOFSA-N	461.293	2.744	10	40	JFCB	
CCN(CC)c1cc2c(cc1N/C=C1\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)n(C)c(=O)n2C	408526994	DPUMRNTXLZWGJF-NBVRZTHBSA-N	490.564	2.919	10	40	JFCB	
COc1ccc(N2CCN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@@H](C(N)=O)C2)cc1	585262109	CJNXAOWAGQTKSD-XMMPIXPASA-N	458.562	2.577	10	40	JFCB	
Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(N(C)C)cc3)n2)cc1	15674543	HSWZVYUJURIBBT-CTNGQTDRSA-N	456.568	2.726	10	40	JFCB	biogenic,in-vitro
COc1ccc(N2CCN(C(=O)CSc3nnc(COc4ccc(C)cc4C)n3N)CC2)cc1	32739605	YQBLEYFXSWEYLV-UHFFFAOYSA-N	482.610	2.637	10	40	JFCB	
COc1ccc(N2CCN([C@@H](C(=O)O)c3cn(CC(=O)O)c4ccc(OC)cc34)CC2)cc1	36358637	KUMOZNHAPYUUNK-HSZRJFAPSA-N	453.495	2.691	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1	408732844	ZVZIMSXCUHLBML-VLOXRPPESA-N	492.557	2.881	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(I)cc1	408776669	PVUBIWGFYIRFLS-UHFFFAOYSA-N	494.310	2.793	10	40	JFCB	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1I	408946432	ABSQJEZYMBGYNT-WUXMJOGZSA-N	492.225	2.695	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	409330599	BRWKAXHHUVDWHT-FBHQFGEZSA-N	492.557	2.881	10	40	JFCB	
O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1	8858050	HXKUCCGZNCBCRD-VKAVYKQESA-N	474.608	2.649	10	40	JFCB	
COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	33562090	CNJCHORFISOBKJ-YUSFRKCESA-N	475.295	2.859	10	40	JFCB	
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc([N+](=O)[O-])cc3O)c(O)c12	299888537	NQGIFVWQIYLXKQ-UHFFFAOYSA-N	484.424	2.650	10	40	JFCB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408658284	IKWPFSIAXJXMHZ-BDTNDASRSA-N	490.512	2.517	10	40	JFCB	
Cc1ccc(-c2cc(C(=O)OCC(=O)NCCN3C(=O)CSC3=S)c3ccccc3n2)o1	13147819	VUHZGWOOZPQQIK-UHFFFAOYSA-N	469.544	2.937	10	40	JFCB	
O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)Nc1ccc(N2CCOCC2)cc1	15229260	HLMUAIBQVBXKOE-XDHOZWIPSA-N	455.492	2.609	10	40	JFCB	
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(S)N(Cc2ccccc2)C1=O	102593460	HQBXNMRXJUFSME-MTGKDYNDSA-N	462.531	2.580	10	40	JFCB	
CN(C)c1ccc(CN[C@@H]2[C@H]3CO[C@H](O3)[C@H](N3CCC(Cc4ccccc4)CC3)[C@H]2O)cc1	20463776	NNFWKNVHZIWGPS-KUDLYRENSA-N	451.611	2.650	10	40	JFCB	biogenic,in-vitro
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)N3CCOCC3)ccc21	21887005	ZXKIVNPSZFBHGT-QFIPXVFZSA-N	456.974	2.851	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCC(=O)Nc1ccccc1	107632394	UGAYBODKIJZBHT-XDHOZWIPSA-N	475.457	2.968	10	40	JFCB	
CCN1C(=O)/C(=C/c2cccn2-c2ccc(I)cc2)C(=O)NC1=S	409392977	UNVCKYZSRAIDFE-GXDHUFHOSA-N	451.289	2.729	10	40	JFCB	
CN(C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	10232967	UJCLDEOOPYRGEZ-MKRLJBPISA-N	459.014	2.577	10	40	JFCB	
CC1=NN(c2ccccc2Cl)C(=O)/C1=c1/s/c(=C2\Sc3ccccc3N2C)c(=O)n1C	15218114	MTTSSSXQBPNVAH-CAFBOWOJSA-N	468.991	2.981	10	40	JFCB	
C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	21375663	GNUKECNNIHUABW-ZDUSSCGKSA-N	482.448	2.872	10	40	JFCB	
O=C1Nc2ccc(Br)cc2/C1=C1/SC(=S)N(NC(=O)c2ccncc2)C1=O	16712631	UKVKNAFHWIFOFT-SEYXRHQNSA-N	461.322	2.713	10	40	JFCB	
CC1=NN(C(=O)CC(=O)NC(=O)/C=C/c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1	104307024	MAOPWWYONTVTMB-VRGDNFOMSA-N	462.422	2.538	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3C)CC2)cc1	408591418	MCQULEAOSSOTKZ-UHFFFAOYSA-N	487.622	2.906	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1Cl	13007341	YNKQXQADVCDITL-JOCHJYFZSA-N	456.974	2.769	10	40	JFCB	
CCOc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	21887123	UFEXOQBSCFHKGM-QHCPKHFHSA-N	466.582	2.596	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)O	409053880	DELLFWPLDVWXIB-VGOFMYFVSA-N	489.824	2.777	10	40	JFCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc21	409100007	PDHVXFODIOQOJY-LICLKQGHSA-N	479.514	2.663	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	409226570	UXXKSBMUEHWSDJ-WLRTZDKTSA-N	464.261	2.533	10	40	JFCB	
COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1OC	10959075	HZSLJCODLMMPBC-UHFFFAOYSA-N	474.469	2.535	10	40	JFCB	
COCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S	13564580	JLCOUPBBRGMYNS-CFUNFGEESA-N	474.608	2.546	10	40	JFCB	
C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	13647640	CSZPBUHZYYFYCH-SFHVURJKSA-N	473.595	2.919	10	40	JFCB	
CC(C)CCN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21	27026589	LAMMDDVKSBNLQX-WPCFGXOUSA-N	450.607	2.838	10	40	JFCB	
COc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(OC)cc3)CC2)cc1	13504456	HQYZOLHXBWVUCY-DNQXCXABSA-N	464.570	2.781	10	40	JFCB	
Cc1cccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c1	409050164	ZRFWZPVWPWEVAA-UHFFFAOYSA-N	458.268	2.524	10	40	JFCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OCC(N)=O)c(Br)c2)C1=O	409227165	SVCZXSPPXMNXHR-KPKJPENVSA-N	492.713	2.941	10	40	JFCB	
C[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	13669897	PPEUPFFOGMNQHB-KRWDZBQOSA-N	459.568	2.529	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	20451178	GPCQHTXAPOIYIY-DEOSSOPVSA-N	485.650	2.814	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1	22752451	WWECCSPVZJZOMC-XOYGFPHKSA-N	493.633	2.686	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408731563	NRSVMUSVWOHVJQ-PZHBDVNGSA-N	492.557	2.881	10	40	JFCB	
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3c(C)cccn3c2=O)SC1=S	2194421	QWYFJJCLHNGGPZ-VMOJBDSFSA-N	485.635	2.704	10	40	JFCB	
Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c(C)n1-c1ccccc1	9471111	DLNPLYVAYNLHEU-UHFFFAOYSA-N	497.573	2.911	10	40	JFCB	
Cc1cc(Cl)ccc1N(CC(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	13670231	SUDOZTYBHQQJPU-UHFFFAOYSA-N	451.976	2.567	10	40	JFCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O	9260102	HNBPKKLLWPOCOF-QNGOZBTKSA-N	486.528	2.729	10	40	JFCB	
Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1C	13070249	DSARSEFXSMWVRC-UHFFFAOYSA-N	452.511	2.845	10	40	JFCB	
COc1ccc(N2CCN(Cc3nc(N)nc(Nc4cc(OC)ccc4OC)n3)CC2)cc1	54274337	PVLKNMDFPFMHAZ-UHFFFAOYSA-N	451.531	2.545	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	9311446	BKADBUAZSAZZEE-GDNBJRDFSA-N	476.283	2.554	10	40	JFCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1	12595648	BLFNOINXWKWANJ-RUZDIDTESA-N	464.610	2.718	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C/c3ccc(OCC)cc3)SC2=S)CC1	9404376	WWRCXTFJRRMOIQ-LGMDPLHJSA-N	463.581	2.587	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\NC[C@H](CC(=O)O)c3ccc(Cl)cc3)C2=O)cc1	20621996	KQAFIZYGCJYPDC-QCUKBLKESA-N	457.870	2.663	10	40	JFCB	
COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	21887019	LRXYWTIZIPQDAP-QHCPKHFHSA-N	466.582	2.514	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	408982169	ISDXLKLJNXTYFA-YWFITGJYSA-N	453.589	2.926	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccccc1Cl	409256798	NISUWWVLWPXXKM-UHFFFAOYSA-N	464.261	2.769	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)c(C)c1	409259761	DYCRJQDARRCYLP-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCCC3)ccc21	8801603	BYOISNUABYOTQN-QFIPXVFZSA-N	457.596	2.956	10	40	JFCB	
CCCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1N1CCCC1	10009921	UBEQVUAYPMPKHR-UHFFFAOYSA-N	486.638	2.946	10	40	JFCB	
CCCCCN1C(=O)/C(=C/c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S	8767968	YFVWDGRVAPCHHP-VKAVYKQESA-N	476.624	2.815	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	16187640	QQNVZESLFBLFAX-UHFFFAOYSA-N	453.564	2.818	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1cccc(C)c1	20206209	KZNYHNNVVPVGAJ-IQGAPNPZSA-N	498.542	2.844	10	40	JFCB	
CCCCCCc1cc([C@@H]2N[C@H](C(=O)O)[C@H]3C(=O)N(c4cccc(C(=O)O)c4)C(=O)[C@@H]32)c(O)cc1O	106937989	QESMCFWVHNUTFE-CMOCDZPBSA-N	496.516	2.822	10	40	JFCB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(N2CCCC2)cc1	223213964	WNDRYUIGHLTTBO-UHFFFAOYSA-N	487.622	2.565	10	40	JFCB	
CC(=O)c1cccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1	408655105	CSGCGWMNXLLHHL-ZLNRFVROSA-N	474.513	2.933	10	40	JFCB	
CCc1ccc2c(c1)[C@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2	15967810	ONEXPVCGLIADDB-CVRJGYJLSA-N	497.551	2.824	10	40	JFCB	biogenic
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)C(=N)N21	20206316	QGCPZOXGCCEUPJ-SRRKIXIOSA-N	485.503	2.795	10	40	JFCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)c2C)c(OC)c1	20206422	OJSMBEMHRMFRAY-PRZRADHTSA-N	487.563	2.733	10	40	JFCB	
Cc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c(C)n1-c1ccc2c(c1)OCO2	35310660	CGFKMAHASLNDFI-VMPITWQZSA-N	464.566	2.603	10	40	JFCB	
COC(=O)c1ccc(C(=O)NCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1	95927152	BPNRRIGYQMUIJI-WQRHYEAKSA-N	470.528	2.833	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1C1CCCC1	16025187	JDFJRVPFATXMEC-CCIIEHSASA-N	481.936	2.657	10	40	JFCB	
Cc1cc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCN(C)CC2)c2ccccc2n1	22734450	FHHUVYSTAPXDLT-AREMUKBSSA-N	486.620	2.579	10	40	JFCB	
COc1ccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC	22734842	LBFBAVXHUZYNSZ-XMMPIXPASA-N	466.626	2.734	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc1OC	27530664	BBDXHWPENNQFRI-CPNJWEJPSA-N	458.561	2.931	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccc(F)cc3)c3ccco3)CC2)cc1	56946034	NGTLKJSTJRYZPT-HSZRJFAPSA-N	480.540	2.723	10	40	JFCB	
O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NCc1ccc2c(c1)OCO2	9403209	NUSWBMDTZNDSQZ-UHFFFAOYSA-N	488.408	2.572	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(C)c(=O)n4C)C2=O)c(C)cc1Br	408529901	KLGCXLJFVILOJF-GXDHUFHOSA-N	498.337	2.835	10	40	JFCB	
COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1	409119673	SPOHTSXFVZIMGU-UNOMPAQXSA-N	480.521	2.844	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCN4CCCC4=O)c4ccccc34)[C@@H]21	1616044605	GVHNUFVOIVUUFL-HHHXNRCGSA-N	485.588	2.917	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104204065	YWVNIDGLQZUIQQ-HNQMNILESA-N	492.521	2.800	10	40	JFCB	
CCOC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	409404121	CFAJBXXPALFCAF-DHDCSXOGSA-N	475.295	2.861	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21)NC[C@H]1CCCO1	9463616	UWHVLFZQCZKZOT-MLHZQLSASA-N	492.557	2.660	10	40	JFCB	
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1c3c(c4c(c5c3N2[C@@H]2C=CC=C[C@@H]52)C(=O)NC4)[C@H]2C=CC=C[C@H]21	242592280	OPNVIWNLUNKLDK-QYLXCNKRSA-N	470.573	2.806	10	40	JFCB	
CC(=O)c1cccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408655103	CSGCGWMNXLLHHL-XPWALMASSA-N	474.513	2.933	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CCOC[C@@](O)(COc4ccc(Cl)cc4)C3)CC2)cc1	585282414	JPQBWKVNDRXPLB-RUZDIDTESA-N	477.001	2.822	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1	2740067	JCLKBOUXFOIRQJ-AQTBWJFISA-N	476.942	2.949	10	40	JFCB	
COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1	4043676	VHLKIYHQYKVUSA-UHFFFAOYSA-N	462.527	2.982	10	40	JFCB	
O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	9259819	WMFJPZJPUAAIEP-QDEBKDIKSA-N	479.228	2.852	10	40	JFCB	
COC(=O)Cc1c(C)c2ccc(O)c(CN3CCN(c4ccc(OC)cc4)CC3)c2oc1=O	95473242	JMTDABZCDUQTES-UHFFFAOYSA-N	452.507	2.853	10	40	JFCB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(C=C3C(=O)NC(=S)NC3=O)cc2Cl)cc1	408880382	HOEOQDKGBKHIKW-UHFFFAOYSA-N	471.343	2.984	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccc(OC)c(OC)c3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504502	HSHVNGPZEGYLIM-DHLKQENFSA-N	494.596	2.790	10	40	JFCB	
CCOC(=O)c1cccc(-c2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)o2)c1	20206335	ZWJRQSZYFOACFE-OIQQPNLJSA-N	472.504	2.745	10	40	JFCB	
COc1c2c(c(O)c3c1[C@H](O)Cc1cc4c(c(O)c1-3)C(=O)O[C@H](C)C4)C(=O)c1cccc(O)c1C2=O	13370008	HRWPMELFEHBAIH-YMTOWFKASA-N	488.448	2.945	10	40	JFCB	biogenic
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408850932	GOYKQTWLIJOKGH-VZUCSPMQSA-N	450.176	2.868	10	40	JFCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1	408903368	RRPQWNWLSMOTHQ-LGMDPLHJSA-N	456.296	2.952	10	40	JFCB	
NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	1797372	GDUJIRIXLJVVIL-GUSDSWBTSA-N	459.574	2.730	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)O	409008768	GOAGAHAULDUROI-UXYFDLPDSA-N	489.278	2.976	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1	409331793	IBZGOOAUTVOKKV-QCHPHUCNSA-N	491.569	2.702	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cc(C)cc(C)c4C)C3)CC2)cc1	585285039	BVKHBWDMJZEODI-XCZPVHLTSA-N	484.637	2.828	10	40	JFCB	
CCCN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3ccccn3c2=O)SC1=S	1447008	YFTAENVORUSXFB-PEZBUJJGSA-N	487.607	2.584	10	40	JFCB	
CN1CCCN(Cc2cc(I)cc(I)c2O)CC1	48326356	BJGUBHSHEBPPRL-UHFFFAOYSA-N	472.108	2.739	10	40	JFCB	
COCCCNCc1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C	13113294	VHRVZDLIBUGCAU-UHFFFAOYSA-N	490.670	2.841	10	40	JFCB	
CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1	96193255	COKGYUAWIBTQSZ-ZSOIEALJSA-N	465.285	2.811	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCN4CCCC4=O)c4ccccc34)[C@@H]21	1616044632	KFEPNSWCKMWULI-AREMUKBSSA-N	471.561	2.527	10	40	JFCB	
O=C(Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21)N1CCOCC1	15228111	VTTOAVHDEPFYSO-SYERDGIWSA-N	471.604	2.880	10	40	JFCB	
CCOc1cccc([C@@H]2N[C@](CCSC)(C(=O)O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)c1O	102996070	ZDMUFUSVYQUKEI-ZDQHKECQSA-N	484.574	2.813	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	409146482	SDLYEDIWDOIXIB-BOURKTIISA-N	486.528	2.599	10	40	JFCB	
CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc3c(c2)CCN3C)CC1	22734556	MDBICPSAWHJRTM-QFIPXVFZSA-N	489.542	2.741	10	40	JFCB	
CCCN1C(=O)/C(=C\c2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S	26688634	JNNNAKJSALXHHV-OBGWFSINSA-N	487.651	2.748	10	40	JFCB	
COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@@H]1c1cccc(Cl)c1	57415097	YUKMTSMVXNXLPH-JOCHJYFZSA-N	470.957	2.952	10	40	JFCB	
CCOC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1ccc(F)c(F)c1	67286057	BTKQQEAEAUIKDS-QHCPKHFHSA-N	486.519	2.967	10	40	JFCB	
NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	409222169	AMKQMHMTZYPXQK-RIYZIHGNSA-N	478.686	2.633	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	408865432	DHCDRXLTKFBAPK-UHFFFAOYSA-N	462.281	2.851	10	40	JFCB	
Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=S)NC2=O)c1	409272540	ZRMINAFWTVWULA-UHFFFAOYSA-N	488.363	2.998	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1	9671060	LLBYMXILDQRVBR-UHFFFAOYSA-N	476.455	2.956	10	40	JFCB	
CN(C)c1ccc([C@H]2CC(c3cccc(NS(C)(=O)=O)c3)=NN2C(=O)CCC(=O)O)cc1	57015403	QDYOJICBTRNQMT-HXUWFJFHSA-N	458.540	2.667	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1O[C@@H](C)C(=O)O	409232651	AXKBGVOFMGMIGA-MPMPPSQCSA-N	454.504	2.995	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1Cl	13007344	YNKQXQADVCDITL-QFIPXVFZSA-N	456.974	2.769	10	40	JFCB	
COc1ccc(/C=C/C(=O)NC(=S)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1	14269045	QIOFCELIMBJJAU-BJMVGYQFSA-N	456.524	2.849	10	40	JFCB	
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1	408902319	HJLMKBKCFMJAID-QGOAFFKASA-N	456.296	2.952	10	40	JFCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	2169507	UVRYZPWQSUEWDD-WOJGMQOQSA-N	456.476	2.848	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CN2C(=O)/C(=C\c3ccc(OCC)cc3)SC2=S)CC1	27530566	WWRCXTFJRRMOIQ-GHRIWEEISA-N	463.581	2.587	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	59418523	HRBIMWAVLSEDBL-DJAVKIJBSA-N	480.590	2.523	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	9252664	GYANDCQRFGDFAY-UCDMSLSYSA-N	469.925	2.513	10	40	JFCB	
CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O	9982300	HWJBLRYCLKNRCS-QFIPXVFZSA-N	455.466	2.935	10	40	JFCB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C	20206430	HEALPKXRQGYQIY-OKIZQULLSA-N	486.535	2.932	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCn4ccnc4)c4ccccc34)[C@@H]21	1616044654	NICXOYDAXRTGMI-RUZDIDTESA-N	454.534	2.801	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC	27530623	HDJMXSOMJXFYBS-CAOOACKPSA-N	474.516	2.948	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3nnc(NC(=O)c4ccccc4C)s3)CC2)cc1	224477928	NUVZRFHROWRTLV-UHFFFAOYSA-N	473.580	2.618	10	40	JFCB	
CCN(CC)c1ccc(CNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	225227361	RNTHRHRKYBZHQV-QGZVFWFLSA-N	461.584	2.775	10	40	JFCB	
Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3\SC(N4CCOCC4)=NC3=O)c3ccccc32)c1	16732276	SHEROERXDJVBDB-DQRAZIAOSA-N	476.558	2.961	10	40	JFCB	
CCOc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1	22735523	LBRFWZDHWUCQIQ-DEOSSOPVSA-N	459.612	2.820	10	40	JFCB	
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCOCC5)SC4=NC3=O)cc2)c1	41084557	QPASQMNPAHLGRT-NREDLREFSA-N	491.529	2.823	10	40	JFCB	
COc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O	408844159	HDEOPNATLUAYNN-LFYBBSHMSA-N	461.224	2.558	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cc(C)ccc4OC)C3)CC2)cc1	409392603	RYWIYYNSQREQIA-FQEVSTJZSA-N	487.622	2.762	10	40	JFCB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC(C)C)(C(=O)O)N[C@H]3c2ccc(OC)cc2O)cc1	15276313	IBNFKPAXQRFICF-UGCAPWQASA-N	468.506	2.729	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(F)c3)C(=O)NC2=S)c1	409133030	QDMIACLQIVXOMH-LDADJPATSA-N	455.511	2.892	10	40	JFCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O	409242608	WYKVORRBGGMGQY-WOJGMQOQSA-N	486.322	2.961	10	40	JFCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CCNC3=NS(=O)(=O)c4ccccc43)C2=O)cc1	12414021	NKRZBFUIJCHANP-LGMDPLHJSA-N	456.549	2.528	10	40	JFCB	
CC(C)(C)c1ccc(N(CC(=O)NCc2ccc(N3CCOCC3)cc2)S(C)(=O)=O)cc1	13647688	OOADNFKJTHFHEF-UHFFFAOYSA-N	459.612	2.903	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3nnnn3CS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)cc1	57671766	XJUVYIMQYAEDCP-QHCPKHFHSA-N	484.626	2.941	10	40	JFCB	
CN1CCN(c2ccc(CNC(=O)CCCN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)CC1	224095011	OCWFJZLIWAPNFX-UHFFFAOYSA-N	480.581	2.579	10	40	JFCB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	224952464	SXCDMKBYLVIWRY-GOSISDBHSA-N	475.611	2.877	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2Br)cc1	409228000	YZGMEGQCSRGAMM-UHFFFAOYSA-N	474.336	2.689	10	40	JFCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1	103918150	UPHXYRDDQZFQSI-JWGURIENSA-N	456.568	2.952	10	40	JFCB	
COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1	409013945	OWJWQDVDDMATAZ-RIYZIHGNSA-N	478.288	2.802	10	40	JFCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C(=O)NC1=S	409020816	UFBPKSYXDCOXPB-XDUBLRSXSA-N	454.504	2.941	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccc(Br)cc1	9126342	NOAYLLDTSLUWTD-UHFFFAOYSA-N	476.327	2.913	10	40	JFCB	
CCN(CC)c1cc2c(cc1N/C=C1/C(=O)NC(=O)N(c3ccc(C)cc3)C1=O)n(C)c(=O)n2C	408531758	LMIJCNRTOOIYCH-VKAVYKQESA-N	476.537	2.610	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1	13504441	DXZOKGYOGUXPMZ-RPWUZVMVSA-N	465.577	2.969	10	40	JFCB	
Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1C[C@H]1CCCO1	16957377	FSJGEOUUJFAVIY-SPMKTWQFSA-N	485.606	2.822	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(Cl)c1	20801718	ZFQNTIITBOPIRF-SFTDATJTSA-N	470.957	2.877	10	40	JFCB	
CN1C(=O)C(=Cc2ccc(Sc3nnc(-c4ccccc4)n3C)c([N+](=O)[O-])c2)C(=O)N(C)C1=O	59488545	LWLJXZLBJMSGQD-UHFFFAOYSA-N	478.490	2.975	10	40	JFCB	
CCOC1=NN(c2ccccc2)C(=O)/C1=c1/s/c(=C2/N(C)c3ccccc3C2(C)C)c(=O)n1C	15946633	JLDISEGRFANHIB-YKGAYGFFSA-N	474.586	2.530	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)C(=N)N21	20205608	RESWLEWQDHRJIW-LKUHCXOVSA-N	470.532	2.766	10	40	JFCB	
COc1ccc(N2CCCCC2)cc1C(=O)N1CCC[C@@H](Cc2[nH]ncc2S(C)(=O)=O)C1	257256506	KLTBLIOGHIRJMH-KRWDZBQOSA-N	460.600	2.907	10	40	JFCB	
O=C(COc1cccc(C=C2C(=O)NC(=S)NC2=O)c1)Nc1ccc(Cl)c(Cl)c1	408551284	JWMOBTJGQWGLCW-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccccc1OC	707836	ALOLBYQZCLXGCL-RNHBDSLOSA-N	477.586	2.873	10	40	JFCB	
CCCCCN1C(=O)/C(=C/c2c(N3CCC(C(N)=O)CC3)nc3ccccn3c2=O)SC1=S	2195762	AXHXXGSYRWZLTF-VKAVYKQESA-N	485.635	2.788	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCOCC3)ccc21	21887041	ZRWPIZLLHHMTPX-JOCHJYFZSA-N	474.964	2.990	10	40	JFCB	
COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	21124077	ZKGSWMGOPPUXDV-XVNBXDOJSA-N	468.510	2.929	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21	21887037	YAUZUEZTQWKGPJ-XMMPIXPASA-N	454.615	2.565	10	40	JFCB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)C[C@@H](C)O1	11990766	IIBGDNXDVUXBRS-YMENFXCSSA-N	486.619	2.688	10	40	JFCB	
CCCN1C(=O)/C(=c2/s/c(=C3\C=Cc4ccccc4N3CC)c(=O)n2CC)SC1=S	100181455	WEIRFUXZXQWUMJ-FITPRZRESA-N	457.646	2.970	10	40	JFCB	
COc1ccc2c(c1)CCCN2CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	12633200	CVYKSUUYGPYYEK-GZTJUZNOSA-N	455.580	2.593	10	40	JFCB	
COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)cc(I)c1OC(C)=O	58866191	YWVZISFXJMEQKD-UHFFFAOYSA-N	472.231	2.979	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2	13524700	JBMJUORSMHLRLU-OALUTQOASA-N	480.517	2.766	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCc3ccccc3)c3ccco3)CC2)cc1	56946187	VVCDUXMOXVWLPW-DEOSSOPVSA-N	476.577	2.627	10	40	JFCB	
COC(=O)c1[nH]c2cccc(OC)c2c1N/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O	101452218	PTVQQSMDHBPOTG-SQFISAMPSA-N	462.462	2.580	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3(c4ccccc4F)CCOCC3)[C@H](C(=O)N(C)C)C2)cc1	257262083	LJZIFNOJZVPIJA-QHCPKHFHSA-N	469.557	2.688	10	40	JFCB	
COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3nc(O)[nH]c3cc2N2CCCCC2)C1=O	408533414	SBVGXUFDTMBGML-BUHFOSPRSA-N	476.493	2.846	10	40	JFCB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408657141	GGHYFKBQWMNVCW-ZLNRFVROSA-N	489.528	2.689	10	40	JFCB	
COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O	408915503	WNOREMPYAIWEKK-OVCLIPMQSA-N	477.242	2.806	10	40	JFCB	
NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1	1752158	YKIMRUGFZKCHTO-WJDWOHSUSA-N	465.553	2.703	10	40	JFCB	
CCCCN1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	13576294	BYMISFGRUKMVOU-UNKHORCTSA-N	469.925	2.514	10	40	JFCB	
CCOC(=O)/C=c1\s/c(=C/c2ccc(N(C)C)cc2)c(=O)n1CC(=O)c1ccc(Cl)cc1	34697266	ZECUAWOGBFIEGX-MGAWAESESA-N	470.978	2.685	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4c(C)ccc(C)c4C)C3)CC2)cc1	585285267	DFENDVHWMOZZTO-LSYYVWMOSA-N	484.637	2.828	10	40	JFCB	
CCS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2	10113259	WHEYTPRQFSZGOL-UHFFFAOYSA-N	473.595	2.921	10	40	JFCB	
COc1cccc([C@@H]2N[C@](C)(C(=O)O)[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]32)c1O	100145162	DYWHLHUDZWTYTM-YJXLLHPSSA-N	464.396	2.713	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc3Cl)CC2)cc1	409389697	IKVALCCIOXXDHE-UHFFFAOYSA-N	494.013	2.861	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	8443131	MMMHMMNNLYCOIB-JDCXBEBJSA-N	477.586	2.873	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1	409218811	HGFKWVXNPOUPHD-UHFFFAOYSA-N	458.268	2.524	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104204062	YWVNIDGLQZUIQQ-ILIWDHLYSA-N	492.521	2.800	10	40	JFCB	
NC(=O)COc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br	108101597	VZDWYZLVBHQASZ-SDQBBNPISA-N	495.127	2.537	10	40	JFCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)c(OC)c3)C2=O)c1	409014391	PJTKXYXEVGKTSD-VGSSETLESA-N	454.435	2.612	10	40	JFCB	
O=C(O)CN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3[N+](=O)[O-])c3ccccc32)SC1=S	98086484	YXNQKYDHKOVQPN-WUKNDPDISA-N	455.473	2.798	10	40	JFCB	
Cc1ccc(C)c(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Br)c1	409261561	DADNRMNHXAPKHJ-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1	3446363	REOVXKIPORGLRI-UHFFFAOYSA-N	455.536	2.729	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=CNc1nc(-c2cc3cc(Br)ccc3oc2=O)cs1	40476906	GDRJNNIHPSWMOG-UHFFFAOYSA-N	477.321	2.506	10	40	JFCB	
CN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S	8738605	NFUFENMUNHWWBR-NBVRZTHBSA-N	481.578	2.991	10	40	JFCB	
CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	16044100	YREFWXYFEOYMTR-UHFFFAOYSA-N	494.481	2.978	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3nnnn3CS(=O)(=O)c3ccc(C)cc3)C(C)C)CC2)cc1	57671763	XJUVYIMQYAEDCP-HSZRJFAPSA-N	484.626	2.941	10	40	JFCB	
CC1(C)OC(=O)C(=Cc2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)C(=O)O1	59488825	VEYWTVCDMKNGBB-UHFFFAOYSA-N	495.488	2.865	10	40	JFCB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N/C=C3\C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc21	408529095	GWXNTRJGXBUPES-VAWYXSNFSA-N	498.883	2.983	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC)C2=O)cc1	408802508	FRHAOGLXEUMPMM-XNTDXEJSSA-N	459.252	2.911	10	40	JFCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	9633776	RCBYJSPMJRIQJE-JOCHJYFZSA-N	478.574	2.690	10	40	JFCB	
COC(=O)[C@H](C)Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33658630	DNXDVICNEGPEMU-KSSSLANASA-N	490.266	2.759	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)C(=O)O	107890033	WAHLPFCDCKDNGN-ZEVOCZHWSA-N	461.268	2.771	10	40	JFCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)c(OC)c3)C2=O)cc1OC	409139517	AQNMMSMVVBJGEI-LICLKQGHSA-N	498.488	2.618	10	40	JFCB	
CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)N3CCOCC3)ccc21	21887002	ZXKIVNPSZFBHGT-JOCHJYFZSA-N	456.974	2.851	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N=C2S1	41083901	HCXSAOGSLRSDOP-CXHQGSNTSA-N	459.465	2.866	10	40	JFCB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1	408658293	IKWPFSIAXJXMHZ-VSKRKVRLSA-N	490.512	2.517	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Cl)c1OCC(=O)O	409044987	WXTJHHQJFYCZRL-MKMNVTDBSA-N	489.824	2.777	10	40	JFCB	
CCOC(=O)c1cnc(SC)nc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1	8431073	RAFORAKALZDKIT-UHFFFAOYSA-N	462.597	2.825	10	40	JFCB	
COc1ccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@@H]3C2)cc1	8773687	DNCGJZWYFSWWDB-FQEVSTJZSA-N	468.941	2.637	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)CC2)cc1	8861195	DEFMHXPPLKIQIE-MHZLTWQESA-N	472.545	2.964	10	40	JFCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4\C(=N)N5OC(C)=CC5=NC4=O)cc3)nc2s1	20332128	OPNDCRKGSDUKMV-KZATZCNQSA-N	462.491	2.743	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	22154827	UTBQKLJRHPQNRI-UHFFFAOYSA-N	488.493	2.666	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1	409069193	WNQYUUXEWPBYDW-UHFFFAOYSA-N	457.316	2.675	10	40	JFCB	
O=C(CN1C(=O)N/C(=C\c2ccc(N3CCOCC3)cc2)C1=O)Nc1ccc(Br)cc1	409101350	XKDPJJZXFCDPDG-UYRXBGFRSA-N	485.338	2.817	10	40	JFCB	
CCN(CC)c1ccc(/C=c2/sc3nc(=O)c(Cc4ccc(OC)c(OC)c4)nn3c2=O)cc1	102466098	UGJROMDRFHQEPI-PXLXIMEGSA-N	478.574	2.513	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)O)C2=O)cc1	409044437	CVKOHKWSGMLWPJ-MHWRWJLKSA-N	489.278	2.978	10	40	JFCB	
Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	575423786	QGIJHLMAQQCCKO-FGZHOGPDSA-N	464.609	2.670	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)CC2)cc1	20041501	PDVVMKMINMHSFT-UHFFFAOYSA-N	457.596	2.973	10	40	JFCB	
O=C(Cn1nc2c(cc1=O)CN(c1ccc3c(c1)OCCO3)CC2)Nc1ccc(Cl)cc1	57743744	AZGPSTKFGKPSMW-UHFFFAOYSA-N	452.898	2.869	10	40	JFCB	
O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccc(N4CCOCC4)cc3)n(C[C@@H]3CCCO3)c12	9612692	HBAOPBFWEZDLAV-QFIPXVFZSA-N	487.560	2.617	10	40	JFCB	
O=S(=O)(Nc1ccc(NS(=O)(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCO2	12548419	RIZLPAZPZMQDFA-UHFFFAOYSA-N	467.569	2.791	10	40	JFCB	
COc1ccc(N2CCN(C[C@H](O)COc3ccc4c5c(c(=O)oc4c3)CCC5)CC2)cc1	19909151	YVVKGFCSLWXBTM-IBGZPJMESA-N	450.535	2.852	10	40	JFCB	
O=S(=O)(N1CCCC1)N1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1	26626458	IYWXUQXORWVFHG-UHFFFAOYSA-N	454.390	2.766	10	40	JFCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1	27084245	SGMWQOZXSFSDAV-UHFFFAOYSA-N	451.445	2.703	10	40	JFCB	
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc3c(c2)CCN3C)CC1	22734393	NSCMFQMJXMXHET-QFIPXVFZSA-N	489.542	2.741	10	40	JFCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(C(=O)OC)ccc1C(=O)OC	100423684	FQFALBXQQJGIAV-STZFKDTASA-N	465.462	2.912	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(C)nc3C)c(=O)n2[C@@H]1c1ccc(N(CC)CC)cc1	13959684	SFMDZWXOIJXMDK-XOYGFPHKSA-N	493.633	2.686	10	40	JFCB	
CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)O)c3)C2=O)cc1OCC	409196216	UOPVCKXJZFUZDQ-UNOMPAQXSA-N	482.489	3.000	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1OC	9135662	LVLGARPANWSEBJ-JOCHJYFZSA-N	466.582	2.978	10	40	JFCB	
CCOc1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1S(=O)(=O)N(CC)CC	19110027	RBHVLRBUAPHAGA-UHFFFAOYSA-N	470.598	2.921	10	40	JFCB	
COC(=O)C1=CN(C2CC2)c2cc(N3CCN(c4ccc(OC)cc4)CC3)c(F)cc2S1(=O)=O	21359533	HDKYQGSGAZFINE-UHFFFAOYSA-N	487.553	2.931	10	40	JFCB	
Nc1ccc(N([C@H]2CS(=O)(=O)C[C@H]2O)S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	575423779	QGIJHLMAQQCCKO-FCHUYYIVSA-N	464.609	2.670	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccc(OC)cc3OC)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504480	HGMBABCEKJRALH-RDGATRHJSA-N	494.596	2.790	10	40	JFCB	
CCN(C(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)[C@@H]1CCS(=O)(=O)C1	28296985	CKGQMJGLVQGLRU-GULXKOIASA-N	459.014	2.577	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408963844	ALZSQTGZRBECHF-LDADJPATSA-N	498.561	2.712	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4nc(O)[nH]c4cc3N3CCCC3)C2=O)cc1	408529166	HDSMUTIUSBHRQC-DTQAZKPQSA-N	476.493	2.846	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504389	AETHDWBNAPJRJM-DHIUTWEWSA-N	452.534	2.911	10	40	JFCB	
CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)CCCC4)N3CCOCC3)ccc21	22735696	ZRMHNNNNCMTHJC-VWLOTQADSA-N	455.624	2.910	10	40	JFCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OC	409210208	FMOUMVJWVFVPFU-RIYZIHGNSA-N	471.422	2.773	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)cc1OC	8819434	HDJMXSOMJXFYBS-IUXPMGMMSA-N	474.516	2.948	10	40	JFCB	
COc1cccc(CNC(=O)COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)c1	9464996	VAKZKUIKNFGJIQ-UHFFFAOYSA-N	474.425	2.852	10	40	JFCB	
COc1cccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c1	41077838	YMUOVQRFCFHBDW-ATKCCKKESA-N	484.515	2.536	10	40	JFCB	
COc1ccc(N2CCN(c3ncc4c(=O)n(Cc5ccc6c(c5)OCO6)ccc4n3)CC2)cc1	146406292	LVECEHIXDPPSAB-UHFFFAOYSA-N	471.517	2.904	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1	409219643	OQZYSEKEZDRGIB-VGOFMYFVSA-N	478.288	2.923	10	40	JFCB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CSc2nnnn2-c2ccc(O)cc2)cc1	12634268	SMXUSGKMQKMGBA-NRFANRHFSA-N	468.583	2.734	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)c1	13590376	SYWASFRARTZSQZ-ATVHPVEESA-N	483.531	2.831	10	40	JFCB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc3c(c2)CCN3C)CC1	23857706	XZZUQWCZSUNDFI-JOCHJYFZSA-N	473.980	2.515	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)CC2)cc1	32910094	ITAAZRBIASMQTI-HSZRJFAPSA-N	487.984	2.995	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)cc1	12285290	RDNBWZOOQVJQJW-UHFFFAOYSA-N	475.295	2.973	10	40	JFCB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1cccs1	33880370	OVWRBRHFYRMTKP-CURYZJDOSA-N	483.615	2.552	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccsc3C(=O)NCc3ccccn3)CC2)cc1	38652987	BPZGWQHQOZJKFO-UHFFFAOYSA-N	472.592	2.593	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1cccc(Br)c1	408721491	RQXXMXRAGKEPBE-UHFFFAOYSA-N	461.293	2.591	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1Br)Nc1ccccc1F	409376200	VUQDKWCASOYAFH-UHFFFAOYSA-N	478.299	2.520	10	40	JFCB	
CCn1c(CN2CCCCCC2=O)nnc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1	12128921	AOZVOTZYKUDMKS-UHFFFAOYSA-N	486.642	2.650	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OC[C@H]3CCCO3)CC2)cc1	40017814	WXFJQOHDZOPUEU-OAQYLSRUSA-N	454.523	2.759	10	40	JFCB	
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)NC1=S	9461066	CTNOOZWFQZTMBJ-VCRXTVNUSA-N	477.542	2.917	10	40	JFCB	
COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)CC3CCCC3)CC2)cc1	11665923	CECBDJVRQQEAGF-UHFFFAOYSA-N	463.586	2.858	10	40	JFCB	
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)NN(c2ccccc2)C1=O	13539783	WNVLUQVKDFGAJW-DFHRPNOPSA-N	477.524	2.727	10	40	JFCB	
CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735111	ZEMVGJWJEFWIGB-QHCPKHFHSA-N	481.666	2.834	10	40	JFCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C(=O)NC2=S)c1	408962484	SOCYZKCVOYHPEY-KGENOOAVSA-N	488.569	2.640	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C	409267530	NGUKTFRRCAUKGG-UHFFFAOYSA-N	457.870	2.732	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br	9311377	IDSAYMQVYLMHSM-ZROIWOOFSA-N	475.320	2.832	10	40	JFCB	
COC(=O)c1ccc(COc2coc(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)o1	57356971	JCZQVZGMUYSZRC-UHFFFAOYSA-N	454.479	2.929	10	40	JFCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c(C)n1-c1ccccc1	103596429	FXQKVRLKXRDHEQ-HRXHUYTNSA-N	476.562	2.962	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	6508296	GSFJWNJJSGRRJB-WJDWOHSUSA-N	490.310	2.944	10	40	JFCB	
Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1	12806737	PPHGGLYZFQXONY-UHFFFAOYSA-N	450.564	2.870	10	40	JFCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1	409238757	LAQKVSFXTPAXEP-VLURKWGBSA-N	470.503	2.777	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCN4CCCC4=O)c4ccccc34)[C@@H]21	1565525022	XAQXAHUTOCEGSW-HHHXNRCGSA-N	485.588	2.917	10	40	JFCB	
CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(C(=O)Nc2ccccc2C)c1C	17297258	HAEYBXXYRGOMLT-UHFFFAOYSA-N	472.548	2.621	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1C1CCCC1	16025183	JDFJRVPFATXMEC-DUHPJZPXSA-N	481.936	2.657	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C)c1	28207776	YUXRMLQAPHJHIW-UHFFFAOYSA-N	475.611	2.762	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1cccc(C)c1C	409255317	HGIFCOJECHXJJY-UHFFFAOYSA-N	453.520	2.634	10	40	JFCB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	245230733	XUDDVVIZLWWTEK-FBROZUCGSA-N	467.591	2.868	10	40	JFCB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)cc21	408536509	ZYSFEXLDMPHBCV-FMQZQXMHSA-N	470.488	2.920	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(=O)c1ccccc1	408888978	DDMJYSZPXLJOHV-UHFFFAOYSA-N	475.320	2.981	10	40	JFCB	
O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br)Nc1ccc(Cl)cc1	409220403	YUILXBMLGQDQSY-UHFFFAOYSA-N	478.686	2.869	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCSC)C(=O)O)C2=O)cc1OC	8870139	PWHGMIIPLRGSKV-KWWJGWKXSA-N	484.621	2.618	10	40	JFCB	
CC[C@]1(c2ccc(C)cc2)NC(=O)N(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1=O	9254214	GAUGZKHZEYVJEQ-RUZDIDTESA-N	450.539	2.510	10	40	JFCB	
COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1C	13574270	TZGJLEFQFYYRDS-QBILMKHKSA-N	457.537	2.724	10	40	JFCB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408658288	IKWPFSIAXJXMHZ-BHIFYINESA-N	490.512	2.517	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1NC(=O)c1ccccc1	409200862	JUJMXTZJDGOWCC-YBFXNURJSA-N	472.457	2.884	10	40	JFCB	
O=C(COc1ccc(Br)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1F	107987081	MUKLIJFVABDEQG-UHFFFAOYSA-N	478.299	2.520	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	8809820	AGZQEEJYOYJWAQ-YOKWNPFVSA-N	491.569	2.593	10	40	JFCB	
O=C(c1cc2ccccc2c(CN2CCN(C(=O)N3CCCCC3)CC2)c1O)N1CCOCC1	26246570	CULRWQJVVBRYNZ-UHFFFAOYSA-N	466.582	2.741	10	40	JFCB	
CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC)C2=O)CC1	1480760	QTOPYLYBUCOZSH-SSZFMOIBSA-N	472.592	2.695	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1	22735291	JMTHVVQOXNFIBE-VWLOTQADSA-N	463.626	2.729	10	40	JFCB	
O=C(NN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S)[C@H]1CC(=O)N(c2ccccc2)C1	8861375	WBIRKBJCEKDVND-XGHPXPSOSA-N	468.516	2.880	10	40	JFCB	
CCCCn1c(CCC(=O)NCc2ccc(N(C)C)cc2)nc2c1c(=O)[nH]c(=O)n2CCCC	12791526	DNECSRBLZOVXBL-UHFFFAOYSA-N	468.602	2.802	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1	13671108	SFQITLNCQOJATQ-VWLOTQADSA-N	493.585	2.796	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3I)C2=O)c(OC)c1	108194465	QJYZIEMRGPGBDB-UKTHLTGXSA-N	478.242	2.975	10	40	JFCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408743026	YQQRHJLVTVLWGQ-IZZDOVSWSA-N	479.186	2.571	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	16022224	RGGHTDNUGBUOLN-BATOJLOWSA-N	469.925	2.513	10	40	JFCB	
COC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	33562091	CNJCHORFISOBKJ-HMHNVIDESA-N	475.295	2.859	10	40	JFCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	409063892	ANCHAOYAEHVMBX-XSFVSMFZSA-N	464.455	2.826	10	40	JFCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc(OC)cc3)C2=O)cc1	1870334	JNAFLWKAFGHILQ-CJLVFECKSA-N	494.548	2.768	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\NC[C@@H](CC(=O)O)c3ccc(Cl)cc3)C2=O)cc1	20621993	KQAFIZYGCJYPDC-CRRKTRLDSA-N	457.870	2.663	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1ccc(C)cc1	20674516	BPZVDORBIOAIDR-FCHUYYIVSA-N	450.539	2.532	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(C)cc1	20674522	BPZVDORBIOAIDR-VXKWHMMOSA-N	450.539	2.532	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(N3CCSCC3)nc12	2356487	VKHYLJFGKYKHDZ-UHVIJJLKSA-N	488.660	2.936	10	40	JFCB	
O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\NC1CCN(Cc2ccccc2)CC1	100786382	BJCPIJQEDVBYQB-JWGURIENSA-N	450.514	2.585	10	40	JFCB	
O=C1C[C@H](N2CCN(c3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccc(Br)cc1	1031485	UUPDXTRFTNESQH-KRWDZBQOSA-N	458.312	2.632	10	40	JFCB	
COc1ccc(N2CCN(Cc3cc(=O)c(OC)cn3CC(=O)NCc3ccc(F)cc3)CC2)cc1	22698801	BREKIFAAISBTEW-UHFFFAOYSA-N	494.567	2.643	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cc(C)ccc4OC)C3)CC2)cc1	409392604	RYWIYYNSQREQIA-HXUWFJFHSA-N	487.622	2.762	10	40	JFCB	
CCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)NC1=S	9334931	WVJVAFJSEDVTND-UNOMPAQXSA-N	453.520	2.879	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)O	408695448	VEQULBFEIIJICI-NTUHNPAUSA-N	481.299	2.716	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1ccc(C)cc1	408805299	FYOYBNSSVWCGFU-UHFFFAOYSA-N	492.269	2.937	10	40	JFCB	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1	409067929	QUIOBQANULQWNS-XMHGGMMESA-N	464.455	2.826	10	40	JFCB	
CCOC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	5225358	RVGBWMZVTMFDNE-QFIPXVFZSA-N	479.510	2.620	10	40	JFCB	
COc1ccc(C2(CN/C=C3\C(=O)NC(=S)N(CCc4ccccc4)C3=O)CCOCC2)cc1	20648648	AEGPYGQCPXKEPK-OQKWZONESA-N	479.602	2.703	10	40	JFCB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408657140	GGHYFKBQWMNVCW-XPWALMASSA-N	489.528	2.689	10	40	JFCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1	408867970	MRCGMMUZHYRIBH-VIZOYTHASA-N	493.213	2.874	10	40	JFCB	
C[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	8876949	FMTIIYBSUJHCHN-INIZCTEOSA-N	486.480	2.527	10	40	JFCB	
CCOC(=O)COc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br	59139415	QTZCGMMTIRFKLF-UHFFFAOYSA-N	475.748	2.643	10	40	JFCB	
COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)c1OCC(=O)O	9234167	YLZLWWDUVAUBIG-MDWZMJQESA-N	450.519	2.766	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCC(=O)OC	33571001	MTNSXBJYSCDRSF-DHDCSXOGSA-N	475.295	2.861	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(Cl)c1OS(C)(=O)=O	41083308	QWKIODKNLSBWIL-OMBXLXHOSA-N	456.933	2.962	10	40	JFCB	
O=C1NC(=O)C(=Cc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)C(=O)N1	409069889	YHNYDSVBZPDHHY-UHFFFAOYSA-N	485.699	2.620	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(N)=O)c(Br)c3)C2=O)cc1C	409224265	KNYZVHXWYOHLLN-OVCLIPMQSA-N	472.295	2.596	10	40	JFCB	
C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	32772587	QVTHJELKBUSVLG-MRXNPFEDSA-N	451.976	2.502	10	40	JFCB	
COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O	408784396	SESDHWJCWKYSEQ-RIYZIHGNSA-N	478.242	2.980	10	40	JFCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@@H](C)C(=O)O)C2=O)c1	409239174	ORHVAGQBNCBTPQ-HNEYUBDGSA-N	454.435	2.612	10	40	JFCB	
C[C@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O	16735891	BOWACKKTIDPYLS-LUJRCDHRSA-N	466.588	2.931	10	40	JFCB	
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1	19079760	HSXIELAFTWLHAY-UHFFFAOYSA-N	450.523	2.564	10	40	JFCB	
Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1	21887013	HFVKHNRVSWJCIT-DEOSSOPVSA-N	450.583	2.814	10	40	JFCB	
COc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1C	22735571	PMPMFVQKWSZAMD-DEOSSOPVSA-N	472.655	2.653	10	40	JFCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@H](C)C(=O)O)C(=O)NC2=S)cc1	409238754	LAQKVSFXTPAXEP-LVLBFHFTSA-N	470.503	2.777	10	40	JFCB	
Cc1cc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)ccc1I	829456	ULLAHWUJTUAJGZ-UHFFFAOYSA-N	465.316	2.921	10	40	JFCB	
CC(=O)N1CCN(C2=NC(=O)/C(=C\c3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1	9472479	IXLYEJLOGNYZGN-HMMYKYKNSA-N	471.560	2.589	10	40	JFCB	
CN1CCN([C@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccc3c(c2)CCN3C)CC1	22735861	ADNSQYIMURRCFZ-GOSISDBHSA-N	455.049	2.661	10	40	JFCB	
CC(=O)[C@@H](/N=N/c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1ccccc1C	104124116	GKBYXCGXMKHTMF-NFIDNMSGSA-N	473.555	2.839	10	40	JFCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)cc1	214634582	RIXXUKNYDMUGFK-DEDYPNTBSA-N	483.546	2.776	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	408732163	SWJKQELIEGCNCY-RNHBDSLOSA-N	477.586	2.982	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/NC3=CC=C[C@@H]4C(=O)c5ccccc5C(=O)[C@H]34)C2=O)c1	101112393	DCXLJAINQRQEKK-WTNJKROQSA-N	453.454	2.817	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])cc(I)c3O)C2=O)cc1	408897925	JOZVWSVWQRDAMR-NTUHNPAUSA-N	493.213	2.880	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1C	22735288	HQSJDZQCBXWDNI-RUZDIDTESA-N	463.626	2.729	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	9438742	NLWMVNAQZHQONX-SFQUDFHCSA-N	496.321	2.826	10	40	JFCB	
C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O	10113403	YADLYADEWFHCQT-QGZVFWFLSA-N	451.548	2.890	10	40	JFCB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1	103920074	KAKJKOROKXEKFM-UNOMPAQXSA-N	485.547	2.596	10	40	JFCB	
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cc2nc(O)[nH]c2cc1N1CCCCC1	408536713	XNYXLZWAHFZMAV-BMRADRMJSA-N	474.521	2.876	10	40	JFCB	
CCCCN1C(=O)/C(=c2/s/c(=C3\Sc4ccc(OC)cc4N3C)c(=O)n2C)SC1=S	3208420	UCXVSZGQQHXREB-DJTQBEGKSA-N	479.674	2.532	10	40	JFCB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC(C)C)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1	15276343	LYYPIGARKJVYOQ-PBQROFAYSA-N	468.506	2.729	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1ccc(Cl)cc1	20637132	CYEQNKUEAZIPGP-SFTDATJTSA-N	470.957	2.877	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104214146	JEXHFNSTXRONEH-HNQMNILESA-N	492.521	2.800	10	40	JFCB	
CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2O[C@H](C)C(=O)O)C(=O)NC1=S	409248487	KRAZPGQJQWNHAK-MLDYKZIASA-N	454.504	2.941	10	40	JFCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCO)nc4c(C)cccn4c3=O)SC2=S)cc1	2362854	GEIXPUBJSSHQSK-RGEXLXHISA-N	496.614	2.860	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3cc(OC)ccc3OC)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	19556397	LDWGDKIDKBYSIM-DHLKQENFSA-N	494.596	2.790	10	40	JFCB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	245230734	XUDDVVIZLWWTEK-UPUUWEMXSA-N	467.591	2.868	10	40	JFCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	408951029	KRWUBSXFTCQRKK-JYOAFUTRSA-N	459.208	2.573	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21	21887039	YAUZUEZTQWKGPJ-DEOSSOPVSA-N	454.615	2.565	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(OC)c1	408656644	GCCMWZCKAOVMAW-RZUBCFFCSA-N	492.528	2.748	10	40	JFCB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	9138812	RMCVZERABLIWLK-UHFFFAOYSA-N	455.382	2.605	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3cc(OC)ccc3OC)c3nnnn3C[C@H]3CCCO3)CC2)cc1	19556403	LDWGDKIDKBYSIM-RDGATRHJSA-N	494.596	2.790	10	40	JFCB	
CCN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	54360615	CTLPQMOYDRMZEJ-UDLNKVAWSA-N	452.623	2.704	10	40	JFCB	
COc1ccc(C(=O)Oc2c(Br)cc(C=C3C(=O)NC(=S)NC3=O)cc2OC)cc1	408886681	LGHLREOOGBQISV-UHFFFAOYSA-N	491.319	2.600	10	40	JFCB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(C)c1	20801486	UQGJEWWUIWVJAK-YADHBBJMSA-N	450.539	2.532	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104214138	JEXHFNSTXRONEH-MWFTZXFNSA-N	492.521	2.800	10	40	JFCB	
Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1/N=N\c1ccc(S(=O)(=O)O)cc1	104361501	NPWGMYKQRGYORG-HNENSFHCSA-N	487.493	2.578	10	40	JFCB	
O=C1/C(=C/c2c(NCCOCCO)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1	8858051	NHIHECOYHPPHHY-MNDPQUGUSA-N	496.614	2.559	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504525	CZFLYUJIDBTXQF-NFBKMPQASA-N	452.534	2.911	10	40	JFCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)o1	41077708	QBSMQKKFOCSLSD-SBPWCSLQSA-N	459.465	2.784	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCc3ccc(C)cc3)c3ccco3)CC2)cc1	56945970	WZCRCCDKABAEPD-XMMPIXPASA-N	476.577	2.893	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(I)c1Cc1ccccc1F	408880722	HAFVAWIUZUQHFS-UHFFFAOYSA-N	496.301	2.944	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H](C)N(c3cc(Cl)ccc3OC)S(C)(=O)=O)CC2)cc1	9669010	FLXVHOJSDFAGMI-INIZCTEOSA-N	482.002	2.861	10	40	JFCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(I)o2)C(=O)NC1=S	9323212	FXHHXKNOPNUZPN-NTMALXAHSA-N	454.245	2.724	10	40	JFCB	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(c3ccccc3)CC1)c2NCCO	9353269	LJHQMVUWPLHFBW-UHFFFAOYSA-N	455.514	2.829	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc(OC)cc1	408732799	ZEKAFVKCPNWROB-RNHBDSLOSA-N	477.586	2.982	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccc(OC)c(OC)c3)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504505	HSHVNGPZEGYLIM-RCZVLFRGSA-N	494.596	2.790	10	40	JFCB	
Cc1oc2c(CN3CCN([C@@H]4CCS(=O)(=O)C4)CC3)c(O)ccc2c(=O)c1-c1ccccc1	22095213	HJPCNQDJMOMWJE-LJQANCHMSA-N	468.575	2.779	10	40	JFCB	
CN1CCN([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccc3c(c2)CCN3C)CC1	22735858	ADNSQYIMURRCFZ-SFHVURJKSA-N	455.049	2.661	10	40	JFCB	
CCN(CC)CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	9355103	FNTAFDXQERDIIK-PGMHBOJBSA-N	480.521	2.773	10	40	JFCB	
Nc1ccc(N([C@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	575423787	QGIJHLMAQQCCKO-VXKWHMMOSA-N	464.609	2.670	10	40	JFCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S	9232343	BCZSNPUTGWVADJ-UYRXBGFRSA-N	457.577	2.880	10	40	JFCB	
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@H](c1ccc(O)c(O)c1)OCC3	9429912	CITLHJNJYYONFL-NRFANRHFSA-N	453.882	2.890	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1OC(=O)c1cccs1	20205860	SANGMCKDCQOXRK-GDGARQCUSA-N	490.544	2.597	10	40	JFCB	
COCCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccccc3)cc2)C(C(=O)OC)=C1C	32186302	CSDDBGIPOJKFFU-JCMHNJIXSA-N	464.518	2.701	10	40	JFCB	
CC1=NN2C(=N)/C(=C/c3ccc(OCc4cc(=O)n5nc(C)sc5n4)cc3)C(=O)N=C2S1	41107967	TZPTUZYCPQZJLU-AWVLGNKRSA-N	465.520	2.677	10	40	JFCB	
COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(I)cc3)c2C)C1=O	408549609	VQRRIXJLBXLEGH-SXGWCWSVSA-N	479.274	2.764	10	40	JFCB	
[N-]=[N+]=NC[C@@H]1OCO[C@H](CN=[N+]=[N-])[C@@H]2OCCOCCOc3ccccc3OCCOCCO[C@H]12	8665523	OVQXDKGGXYRTEB-UJOPUZHASA-N	494.505	2.624	10	40	JFCB	
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1	9130882	QMEJSSWFVOGJPM-UHFFFAOYSA-N	498.557	2.878	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c(OC)c1	9135568	XJABCIBNWKLYKR-HSZRJFAPSA-N	466.582	2.978	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	33154931	FGSKEFMPVGFBOT-PZHBDVNGSA-N	463.559	2.570	10	40	JFCB	
O=C(COc1c(Cl)cc(C=C2C(=O)NC(=S)NC2=O)cc1Cl)Nc1ccccc1	409258791	VYGKRFFULGJCQB-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	2448089	NTRODLQKQZVLMK-WPNIOXTASA-N	466.881	2.662	10	40	JFCB	
O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1	13548322	DNZDKMDEVPIXMB-PTNGSMBKSA-N	462.325	2.710	10	40	JFCB	
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(=O)n2c1	16736675	QQKZQVAXUFZTPK-SRMBPAHBSA-N	472.592	2.771	10	40	JFCB	
COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(I)c2)C(=O)NC1=S	9323535	KFECWJSLGKEMSV-FLIBITNWSA-N	480.283	2.837	10	40	JFCB	
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	10907360	QVTHJELKBUSVLG-INIZCTEOSA-N	451.976	2.502	10	40	JFCB	
CCOc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1	41077852	AHQCEYKQPVZDEK-PMOKRTJVSA-N	498.542	2.926	10	40	JFCB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	805258	XADQPIHJIVYODB-AQTBWJFISA-N	476.942	2.949	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(O)c(OC)c3)C2=O)cc1	1177614	UFBZABNKPBYCKS-QPEQYQDCSA-N	475.251	2.616	10	40	JFCB	
COc1ccc(CCN2C(=O)N=C(O)/C(=C/NCc3ccc4c(c3)OCO4)C2=O)cc1OC	102554299	BQXYVAPKHRICFU-VBKFSLOCSA-N	453.451	2.567	10	40	JFCB	
COC(=O)COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1	1176625	BRPACPJMUUNKFG-YBEGLDIGSA-N	475.320	2.832	10	40	JFCB	
O=C1NC(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)C(=O)N1	409072770	KXMJFCOWUICEPD-UHFFFAOYSA-N	485.699	2.620	10	40	JFCB	
CCOC(=O)COc1c(/C=C2/C(=N)N3N=C(c4ccncc4)SC3=NC2=O)cccc1OC	41074356	ATKOFRGLWKBBGQ-OOYUFVOFSA-N	465.491	2.700	10	40	JFCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	832471	SHDBUEASFZJNBD-COVVZGLNSA-N	456.539	2.689	10	40	JFCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NN1C(=O)NC2(CCCCC2)C1=O	9126706	BUIDCIBWXFRGAW-UHFFFAOYSA-N	485.566	2.719	10	40	JFCB	
COc1cc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)ccc1O	10232979	AAWGLTXVABYXGN-FRKPEAEDSA-N	460.489	2.645	10	40	JFCB	
CCCOC(=O)c1ccc(Oc2coc3c(CN4CCN(CCO)CC4)c(O)ccc3c2=O)cc1	20392197	XMCYNPIXXXBJJX-UHFFFAOYSA-N	482.533	2.968	10	40	JFCB	biogenic
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)cc1C	408526227	AJLHMRIILZNREJ-GXDHUFHOSA-N	498.337	2.835	10	40	JFCB	
CCc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O[C@@H](C)C(=O)O)C(=O)NC2=S)cc1	409242820	PEXPIIOZBMAFOZ-VLURKWGBSA-N	454.504	2.941	10	40	JFCB	
COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O	2341271	VBVWCKQACUNTCK-UHVIJJLKSA-N	474.608	2.832	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NN3CCN(C)CC3)C2=O)cc1OC	8819961	VUHIIQHKZMLEEQ-SILNSSARSA-N	492.667	2.744	10	40	JFCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1	112294858	KTCJKHFHEREHTE-UYRXBGFRSA-N	455.565	2.773	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N3CCSCC3)nc12	8834836	VKHYLJFGKYKHDZ-ZKMNFCBKSA-N	488.660	2.936	10	40	JFCB	
CCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)c2cc(Br)ccc21	27563195	LOWMTYQCKHUVHD-HFNCJKPHSA-N	455.355	2.949	10	40	JFCB	
O=C(O)CCN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S	2416710	HUYVPMGUQRKVAS-AQTBWJFISA-N	492.582	2.933	10	40	JFCB	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764626	JQHMFHNANOWZOD-NVNXTCNLSA-N	452.491	2.860	10	40	JFCB	
O=C1NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)C(=O)N1	408887109	MCMFIJZXPIYFSJ-UHFFFAOYSA-N	477.183	2.807	10	40	JFCB	
Cc1ccc(N2NC(=O)/C(=C/c3cccn3-c3ccc(S(N)(=O)=O)cc3)C2=O)cc1Cl	8443101	LVFBSIKHMCTEMZ-WQRHYEAKSA-N	456.911	2.548	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1OC(=O)c1ccccc1	41077847	FYOYOBRVWVLYNK-HUMIGVHUSA-N	484.515	2.536	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(I)c1OC	409329150	DBRMVBXTLSCDLN-YHYXMXQVSA-N	465.290	2.594	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(OC)c(C)c4)C3)CC2)cc1	9974589	LGTZGTDSFAJIAY-HXUWFJFHSA-N	487.622	2.762	10	40	JFCB	
C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	13669896	PPEUPFFOGMNQHB-QGZVFWFLSA-N	459.568	2.529	10	40	JFCB	
CN1C(=O)/C(=c2/s/c(=C3\Sc4ccccc4N3C)c(=O)n2Cc2ccccc2)SC1=S	100500485	YUTJWWPOZHYANR-CEUKJHGTSA-N	483.665	2.864	10	40	JFCB	
O=C1NC(=O)C(=Cc2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1	409087358	YLMZSRGRLCMERA-UHFFFAOYSA-N	477.183	2.807	10	40	JFCB	
COc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccc(OC)cc3)CC2)cc1	13504457	HQYZOLHXBWVUCY-RPWUZVMVSA-N	464.570	2.781	10	40	JFCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	13551904	RHKKBQIVEYJOMG-RQZCQDPDSA-N	461.430	2.600	10	40	JFCB	
COc1ccc(N2CCN(Cc3coc(O)c(CN4CCN(c5ccccc5)CC4)c3=O)CC2)cc1	101373473	BMIBSUMBMXQNPN-UHFFFAOYSA-N	490.604	2.998	10	40	JFCB	
CCN(CC)c1ccc(CNC(=O)CCc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1	222768191	OZJZKZORBZDWAF-UHFFFAOYSA-N	489.638	2.811	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1OCC(=O)OC	408855946	OWLCAIGVOKJWRG-WOJGMQOQSA-N	452.463	2.920	10	40	JFCB	
Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=C2C(=O)NC(=S)NC2=O)cc1	409055492	IXIBFSDUNCXAAS-UHFFFAOYSA-N	471.343	2.984	10	40	JFCB	
O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(I)cc1	408947273	BOLSUZOEZZXLJF-NTUHNPAUSA-N	462.199	2.686	10	40	JFCB	
COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OC	408956002	VPUBEJBYTQUECW-XGICHPGQSA-N	475.251	2.861	10	40	JFCB	
CCOc1ccc(N([C@H](C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)S(C)(=O)=O)cc1	916697	BIAQFDXLWURDLI-GOSISDBHSA-N	461.584	2.597	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(NCCOC)nc3c(C)cccn3c2=O)SC1=S	8858100	AJFFYUDLZBWHGB-SSZFMOIBSA-N	462.597	2.689	10	40	JFCB	
CSCC[C@@H](N/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)C(=O)OC(C)(C)C	20464089	DCHVZOHFSKBYSQ-ATGUSINASA-N	498.399	2.969	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC	27530625	JXYNHZQFPPPJLQ-CAOOACKPSA-N	474.516	2.948	10	40	JFCB	
Oc1ccccc1CNC[C@H]1O[C@H](Cc2cc(CN3CCN(c4ccccc4)CC3)on2)CC[C@@H]1O	96296064	HCHAJYMUNYQIKI-SAAIGDAKSA-N	492.620	2.943	10	40	JFCB	biogenic,in-vitro
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)N1c3c(c4c(c5c3N2[C@@H]2C=CC=C[C@@H]52)C(=O)NC4)[C@@H]2C=CC=C[C@@H]21	232322127	OPNVIWNLUNKLDK-XYJZXKIDSA-N	470.573	2.806	10	40	JFCB	
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1	9587649	WUCMQBKQLKORPC-UHFFFAOYSA-N	492.509	2.508	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CC(=O)N(CCO)Cc3ccccc3)C2=O)cc1OC	27530663	ZQGAWLCAMDICEX-DEDYPNTBSA-N	472.588	2.926	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NC3CCCCC3)c3ccco3)CC2)cc1	56946001	ZPPNVERHLBVRHB-QFIPXVFZSA-N	454.571	2.717	10	40	JFCB	
COC(=O)Cn1c(C)c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21	109042033	KVKPLMZFSYXOQP-YVLHZVERSA-N	451.435	2.595	10	40	JFCB	
Cc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	409216275	JOPKRYGNRDPRFC-CIAFOILYSA-N	475.480	2.864	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)cc1	8440464	ZDFKFTUXESALEJ-HKWRFOASSA-N	468.535	2.748	10	40	JFCB	
CCN1C(=O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C(C(=O)OC)=C1C	408854650	ARHGVCOXCVKUQW-XDHOZWIPSA-N	451.479	2.535	10	40	JFCB	
CCN(CC)c1ccc(CNC(=O)c2ccc(CS(=O)(=O)N3CCN(C)CC3)cc2)cc1	225114142	INAGMAFKKXWNMH-UHFFFAOYSA-N	458.628	2.540	10	40	JFCB	
Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22734553	HXSRRIBGEGFCQS-HSZRJFAPSA-N	470.017	2.684	10	40	JFCB	
CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Br	408954790	SMNZGGFIWGXBQB-NTUHNPAUSA-N	458.268	2.910	10	40	JFCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3OC)C2=O)c1	409235175	APTCQPRHZDMAFC-DEDYPNTBSA-N	451.479	2.597	10	40	JFCB	
NC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCC3)C2=O)CC1	2368918	GENZEBVDEMIADZ-LGMDPLHJSA-N	483.619	2.540	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=N)N21	20211398	PUMSWGWLSFBIOL-KWWXOIQGSA-N	478.353	2.861	10	40	JFCB	
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	408535088	XNMZBTYIWYZGFJ-JQIJEIRASA-N	462.510	2.732	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(I)c1OCc1cccc(C)c1	408816602	UCIAFCRIPIIASG-UHFFFAOYSA-N	492.269	2.937	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4cccc(Cl)c4)C3)CC2)cc1	585283004	OICQQHSIDKJMIR-ZCYQVOJMSA-N	477.001	2.557	10	40	JFCB	
COc1ccc(OC)c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1	408671582	ZDTANBUYWZKXJU-RZUBCFFCSA-N	492.528	2.748	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)c(C)c3)C(=O)NC2=S)c(OC)c1	409106113	KWMQGUVKFVAOKC-QGOAFFKASA-N	467.547	2.680	10	40	JFCB	
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1cc(C)ccc1C	409258520	VHQSNQAPUAPTCK-UHFFFAOYSA-N	453.520	2.634	10	40	JFCB	
CS(=O)(=O)Oc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl	9308327	SMMJWRWYFVZRCM-XYPMFZOPSA-N	461.912	2.741	10	40	JFCB	
COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1S(=O)(=O)N(C)C	9672075	KPMFGUMABZFSQT-OAQYLSRUSA-N	475.611	2.833	10	40	JFCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c1C	9891815	PNVYNOHONQXMIZ-STZFKDTASA-N	486.528	2.783	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408659393	JLDWZHONTZTELJ-BDTNDASRSA-N	462.502	2.739	10	40	JFCB	
COC(=O)c1ccccc1NC(=O)C(=O)Cc1nc2c3c(ccc2nc1O)C(=O)c1ccccc1C3=O	8653518	NHSDDHZOMHNLQN-UHFFFAOYSA-N	495.447	2.648	10	40	JFCB	
COc1ccc(C2=N/C(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1[N+](=O)[O-]	9367935	QADPAGOXWQZLFS-XNTDXEJSSA-N	454.395	2.693	10	40	JFCB	
CCCn1c(=O)sc2cc(S(=O)(=O)NCc3ccc(N4CCN(C)CC4)cc3)ccc21	225734909	QLLUBAKHKFVSEN-UHFFFAOYSA-N	460.625	2.703	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)C2=O)c(OCC)c1	409010687	DBDKOWLXSCALQF-GHRIWEEISA-N	455.467	2.580	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCCN4CCCC4=O)c4ccccc34)[C@H]21	1616044606	GVHNUFVOIVUUFL-MHZLTWQESA-N	485.588	2.917	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12	16736824	XVYLZGKLDKZWGI-DKMDKWEQSA-N	472.592	2.771	10	40	JFCB	
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc3c(c2)CCN3C)CC1	23857704	XZZUQWCZSUNDFI-QFIPXVFZSA-N	473.980	2.515	10	40	JFCB	
COc1ccc(CNC(=O)c2nnsc2NC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1	25183950	HBNBSZRURJMJGA-UHFFFAOYSA-N	482.566	2.839	10	40	JFCB	
O=C(Cn1c(=O)sc2ccccc21)NN1C(=O)/C(=C/Nc2ccc([N+](=O)[O-])cc2)SC1=S	36633775	NTLRHLWTALVSJV-DHDCSXOGSA-N	487.544	2.816	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1	36709086	GOGOXIMYPSILNO-UHFFFAOYSA-N	482.990	2.631	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	408590930	IAYYXRXGPBEHHJ-GOSISDBHSA-N	453.564	2.864	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)c(C)n1-c1ccccc1	9468338	PEHRLELWKGWZMJ-RUZDIDTESA-N	469.505	2.720	10	40	JFCB	
Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)cc1	20206168	QYLBSTADWCEYKK-HJMKZUPFSA-N	468.516	2.835	10	40	JFCB	
COc1cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OS(C)(=O)=O	4481086	GPCKUEKSWWOPSK-ADCIQMMMSA-N	472.342	2.963	10	40	JFCB	
COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c(OC)c1	13007964	FJSMHLVMNSURRM-QHCPKHFHSA-N	466.582	2.978	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)CC2)cc1	16046669	FTPUVRDWAFYGEB-UHFFFAOYSA-N	484.556	2.839	10	40	JFCB	
CCc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCN(C)CC1	22735205	CEROXKXCTWLCBR-VWLOTQADSA-N	463.626	2.675	10	40	JFCB	
COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCC1	16134552	XFPVPSFPQKUHQB-UHFFFAOYSA-N	473.595	2.589	10	40	JFCB	
Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1I	408921279	MTEHKAIIHMEJNN-UHFFFAOYSA-N	465.316	2.921	10	40	JFCB	
COc1cccc(/C=C2\SC(=S)N(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)c1	2110602	XGKAKVSVYODRTF-XKTHBTCVSA-N	481.599	2.704	10	40	JFCB	
Cc1cc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)c(C)n1-c1ccccc1	23199379	YMNKNKPXWVBBPA-UHFFFAOYSA-N	469.563	2.818	10	40	JFCB	
CCOC(=O)[C@@H](C)Oc1cc(N(C)C)ccc1/C=C1\NC(=O)N(Cc2ccc(C(=O)OC)o2)C1=O	33710081	NURLFHWTZGROQT-JVVDOCDTSA-N	485.493	2.556	10	40	JFCB	
CCN(CC)c1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	223979501	GKNPMKSKKRMQND-UHFFFAOYSA-N	464.544	2.532	10	40	JFCB	
COc1ccc(N2CCN(CC(=O)Nc3nnc(-c4ccc(OC)c(OC)c4)s3)CC2)cc1	13510142	SCCMOIHYWHHIES-UHFFFAOYSA-N	469.567	2.992	10	40	JFCB	
Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1-c1ccc(S(N)(=O)=O)cc1	24851990	KMNMQIWLDFXUSX-UHFFFAOYSA-N	452.492	2.658	10	40	JFCB	
Cc1cc(C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)n1-c1ccc2c(c1)OCCO2	102264353	JBMJUORSMHLRLU-RTBURBONSA-N	480.517	2.766	10	40	JFCB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(OC)c1	408656645	GCCMWZCKAOVMAW-SJBKTWHCSA-N	492.528	2.748	10	40	JFCB	
O=C(CN1C(=O)N/C(=C\c2ccc(N3CCCC3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1	408961960	WBPHWCOSKOEACJ-QJOMJCCJSA-N	475.549	2.655	10	40	JFCB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1	2497740	QAPCXXAXTDYWGN-QFIPXVFZSA-N	458.584	2.518	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(OC)c(C)c4)CC3)CC2)cc1	9192176	KELZUIINDXQPMJ-UHFFFAOYSA-N	487.622	2.762	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc5c(c4)OCO5)cc3)C(=N)N21	20206329	ZSFDAQPWXNMZEM-UJNQTBGZSA-N	484.515	2.616	10	40	JFCB	
CC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1	23858121	KAPZEPJFXHVIHU-DEOSSOPVSA-N	463.582	2.919	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCCN(c3ccc(OC)cc3)S(C)(=O)=O)CC2)cc1	225580163	CNKXAZCHTYGFSA-UHFFFAOYSA-N	461.584	2.599	10	40	JFCB	
NC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCc3ccccc3)cc2)C1=O	409220055	TWLNWFPNDZKRHN-KGENOOAVSA-N	471.469	2.796	10	40	JFCB	
CCOc1ccc(N2C[C@H](NC(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)CC2=O)cc1	9519970	XEWCVQBZXPBGFO-OAQYLSRUSA-N	495.624	2.711	10	40	JFCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	409015393	ZPEYHCXRXYFAPM-XDHOZWIPSA-N	451.479	2.616	10	40	JFCB	
CCn1cnnc1SCC(=O)c1cc(C)n(-c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C	9953764	WIHIHBIXXFODLG-UHFFFAOYSA-N	489.623	2.701	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccccc3Cn3ccnc3C)[C@@H](C(=O)N(C)C)C2)cc1	257266019	MBGGNWDDWIQGDP-XMMPIXPASA-N	461.566	2.668	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1	10113350	RPLICNVWLTUUJY-UHFFFAOYSA-N	472.394	2.912	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl	10113441	HAQYDXZNMLEWPQ-UHFFFAOYSA-N	463.987	2.891	10	40	JFCB	
CCN1C(=O)C(=Cc2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(=O)N(CC)C1=S	408954475	XBNYILONGTVMCK-UHFFFAOYSA-N	469.519	2.869	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)cc(OC)c3)C2=O)cc1	408874918	FGYWUBAHFUDFSI-CXUHLZMHSA-N	459.252	2.911	10	40	JFCB	
COc1cccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c1O[C@H](C)C(=O)O	409231799	KUMLLGYKRIYNTQ-DSQDWWTGSA-N	454.504	2.995	10	40	JFCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	13582176	PFAOMWPETRJAOF-UHFFFAOYSA-N	455.879	2.902	10	40	JFCB	
Cc1c(N/C=C2/C(=O)N=C(S)N(c3ccc(F)cc3)C2=O)c(=O)n(-c2ccccc2)n1C	103110964	YCPXPVGVIATYIF-ATVHPVEESA-N	451.483	2.779	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccccc3OC)c3ccco3)CC2)cc1	56946194	JEHULUDEJKLGBJ-QHCPKHFHSA-N	492.576	2.593	10	40	JFCB	
COC(=O)[C@H](Cc1c[nH]c2ccccc12)N/C=C1/C(=O)N=C(S)N(Cc2ccccc2)C1=O	102593465	HQBXNMRXJUFSME-LVSKKATPSA-N	462.531	2.580	10	40	JFCB	
CC(C)CCN1C(=O)/C(=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)SC1=S	1481304	PPXXZXGFPZVQFM-VKAVYKQESA-N	457.625	2.694	10	40	JFCB	
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	3386292	VKISHCRLUCFGGF-UHFFFAOYSA-N	478.621	2.942	10	40	JFCB	
C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	13121339	VTFMEHLXFMZSGQ-FQEVSTJZSA-N	486.638	2.767	10	40	JFCB	
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)OCc1cc(=O)oc2cc(O)c(O)cc12	3329349	DTBHGGBXSXUYRD-UHFFFAOYSA-N	450.399	2.922	10	40	JFCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1	103918142	JORRCTWYFYEXSC-ZHZULCJRSA-N	457.512	2.809	10	40	JFCB	
COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(Br)c(Br)c1O	9260234	YFHVNJVFDAQWIA-UHFFFAOYSA-N	464.135	2.525	10	40	JFCB	
CCOCCCN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S	13582971	RXNAXHLDLRCINA-UCHUYYQMSA-N	488.635	2.936	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104214141	JEXHFNSTXRONEH-ILIWDHLYSA-N	492.521	2.800	10	40	JFCB	
O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccc(Cl)cc1	409218207	DKQPKBDNGBWZBU-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
CCc1ccc2c(c1)[C@]1(N[C@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2	15967813	ONEXPVCGLIADDB-XOSJJEKJSA-N	497.551	2.824	10	40	JFCB	biogenic
CCOc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)ccc1OCc1cc(=O)n2nc(C)sc2n1	41076648	BBAGZOSUYHYDFD-OOBSADONSA-N	495.546	2.686	10	40	JFCB	
COc1ccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1OC	22734845	LBFBAVXHUZYNSZ-DEOSSOPVSA-N	466.626	2.734	10	40	JFCB	
COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260770578	SXCDMKBYLVIWRY-SFHVURJKSA-N	475.611	2.877	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	408904977	RJEHOABTLADYJF-XYOKQWHBSA-N	450.303	2.689	10	40	JFCB	
CCN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2cc(Br)ccc21	16733293	JZYUGKHQRVZMAY-DZOVYVGFSA-N	487.422	2.574	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC	408849802	ZGNZGYODSXSWAD-WOJGMQOQSA-N	452.463	2.920	10	40	JFCB	
CC[C@H](C)N1C(=O)[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O	13572444	GYANDCQRFGDFAY-QBTOODAHSA-N	469.925	2.513	10	40	JFCB	
CSc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c1	22735068	MDSWORKGPNPGEI-DEOSSOPVSA-N	481.666	2.834	10	40	JFCB	
CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1	408657142	GGHYFKBQWMNVCW-ZRBLBEILSA-N	489.528	2.689	10	40	JFCB	
CC(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1	13007355	DZSUBYINGZNSAA-XMMPIXPASA-N	450.583	2.931	10	40	JFCB	
Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1)S(C)(=O)=O	13670009	UMVVRCJQENCJHP-KRWDZBQOSA-N	466.003	2.956	10	40	JFCB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)C[C@@H](C)O1	11990767	IIBGDNXDVUXBRS-NRAMRPSQSA-N	486.619	2.688	10	40	JFCB	
COc1ccc(N2CCN(CCCNC(=O)C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1	32937316	SUNVOCABXYCURA-UHFFFAOYSA-N	490.988	2.633	10	40	JFCB	
COc1c(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1I	59139422	OWQACLUFIHXLNR-UHFFFAOYSA-N	495.136	2.661	10	40	JFCB	
CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O	408956850	YTWFLTXFIOMOAU-AWNIVKPZSA-N	475.251	2.949	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)N4CCC[C@@H]4C(N)=O)c4ccccc34)[C@@H]21	1565524174	DVIPVRMDQBGLCJ-ATIYNZHBSA-N	471.561	2.655	10	40	JFCB	
O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	408740599	HHSUCWXFQTXPAS-XGICHPGQSA-N	493.251	2.802	10	40	JFCB	
COC(=O)Cc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)n1	8747527	KLIKVJPFANPJSV-UHFFFAOYSA-N	455.492	2.597	10	40	JFCB	
Cc1cc(C(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCCO4)C2=O)c(C)n1-c1ccccn1	9336595	LBFXMLLDYCFYPD-VWLOTQADSA-N	460.490	2.910	10	40	JFCB	
COc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H](C(C)=O)N21	13569633	MEEGLZQSUOWDJS-XGARDCMYSA-N	463.446	2.591	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1	20451175	GPCQHTXAPOIYIY-XMMPIXPASA-N	485.650	2.814	10	40	JFCB	
CCn1cc(/C=C2/SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)c(C)n1	95924812	VYVJNDQGNFSUQN-LDADJPATSA-N	480.015	2.842	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\N1C(=S)NC(=O)/C1=C\c1cccc([N+](=O)[O-])c1	104304016	RVHMCUNGZACILR-OISIGJEPSA-N	491.485	2.502	10	40	JFCB	
CCOc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1S(=O)(=O)N1CCCC1	408697096	HIQDZEXJXSDMRB-UHFFFAOYSA-N	473.595	2.841	10	40	JFCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c1	408900194	RWHJABJYAREQGR-UYRXBGFRSA-N	450.451	2.715	10	40	JFCB	
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc4c(c3)CCCC4)C[C@@H]2C(=O)O)SC1=S	256055940	ZXPHBSQHUSYZTG-LVSMMTLPSA-N	473.576	2.693	10	40	JFCB	
COc1ccc(N2CCC(O)(CN3CC[C@H](O)[C@@](O)(COc4ccc(Cl)c(F)c4)C3)CC2)cc1	585288154	YBFJFMBRSGZERV-ZCYQVOJMSA-N	494.991	2.696	10	40	JFCB	
CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCC3)ccc21	8799058	GUGJLMPOYXTXML-QFIPXVFZSA-N	457.596	2.956	10	40	JFCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3c(cc2N2CCCC2)n(C)c(=O)n3C)C1=O	408537040	YWVKYBAMODYOKB-BMRADRMJSA-N	488.548	2.618	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4c(OC)cccc4OC)CC3)CC2)cc1	409023494	FKMSEUILLILCKF-UHFFFAOYSA-N	467.566	2.913	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1	8587402	PBOKUBCEKJJAHI-UHFFFAOYSA-N	457.596	2.586	10	40	JFCB	
COc1ccc(N(CC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)Cc2ccccc2)cc1	10395185	KHHDDTQEEQJXOU-UHFFFAOYSA-N	499.571	2.845	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NC[C@@H](O)c3ccccc3)nc12	13749458	ZJRCDBOFRPRBOF-FEEIMYBTSA-N	452.561	2.979	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCC(=O)O	409046453	KTFARARSASENCY-VGOFMYFVSA-N	460.826	2.574	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(Br)cc1OCC(=O)O	12868193	ZIJCGLYHSJRLDU-NTUHNPAUSA-N	481.299	2.716	10	40	JFCB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCCC1	15959779	FMAVTFWVWWXAQY-JYYLQKJRSA-N	475.545	2.784	10	40	JFCB	biogenic
COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1	409223668	JEIJBVGYFIQJDO-AWNIVKPZSA-N	464.261	2.533	10	40	JFCB	
COC(=O)[C@H](C)NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21	1565524731	MERWPAHQXDQGCY-UPCLLVRISA-N	460.534	2.856	10	40	JFCB	
CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)CC1	8705800	HLCDICLODWJYLD-UHFFFAOYSA-N	454.548	2.731	10	40	JFCB	
COC(=O)[C@@]1(CCSC)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	100421482	XUDDVVIZLWWTEK-UKDJSQQHSA-N	467.591	2.868	10	40	JFCB	
COc1ccccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	408654472	BQEDQTNHZDWBMJ-ZVDOUQERSA-N	462.502	2.739	10	40	JFCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCC(=O)N2CCOCC2)ccc2ccccc12	33654987	CLZCXYTYWVRPDJ-JWGURIENSA-N	457.486	2.539	10	40	JFCB	
CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1	100334509	OKIZSWHCKYRNIB-RRRUWBTGSA-N	493.505	2.696	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CSc3nc4[nH]ncc4c(=O)n3-c3ccccc3)CC2)cc1	9490134	WHWRKZNAFXVKQD-UHFFFAOYSA-N	476.562	2.558	10	40	JFCB	
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(-n3c(C)ccc3C)cc2)c(=O)[nH]c1=O	14624406	QDIJGQOXPBRULR-UHFFFAOYSA-N	453.543	2.620	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4cc(C)cc(C)c4)c3=O)CC2)cc1	25440718	LXOJYYTXLVRCLL-UHFFFAOYSA-N	472.549	2.556	10	40	JFCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1	2169500	GQJCCNVURBPMOO-WOJGMQOQSA-N	456.476	2.848	10	40	JFCB	
Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)N1CCCCC1	13613118	PISQHJKGOVBKAG-UHFFFAOYSA-N	457.596	2.936	10	40	JFCB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C	20287476	JZVOXGSVUNBFSG-ZHZULCJRSA-N	472.527	2.689	10	40	JFCB	
COCCCN1C(=O)/C(=C\c2ccc(OCC(=O)NCc3ccco3)cc2)C(C(=O)OC)=C1C	409003143	RHCKHBLSMKVBKL-STZFKDTASA-N	468.506	2.684	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2	10113210	CULBCBMGDVWPGD-UHFFFAOYSA-N	459.568	2.531	10	40	JFCB	
O=C(C[C@@H](O)CCc1ccc(O)c(O)c1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	8652640	FKDRTLFRRHQTGU-IHPXXTKKSA-N	498.484	2.892	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)CC2)cc1	9703647	TYYRTTPQPFQDJA-UHFFFAOYSA-N	454.512	2.846	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CN3CCC(n4nnc5cc(F)ccc54)CC3)CC2)cc1	13561718	GSOZCWMAYMFWFS-UHFFFAOYSA-N	452.534	2.565	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=N)N21	20206193	WKHUESDUSWTLIW-VUBPNFDHSA-N	472.479	2.666	10	40	JFCB	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408761120	CAFQRGUXHZQCRU-DHDCSXOGSA-N	452.491	2.860	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3cc(-c4ccc(=O)[nH]n4)ccc3Cl)CC2)cc1	21152009	RNPPLKPTQDURQP-UHFFFAOYSA-N	460.943	2.610	10	40	JFCB	
CCc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1	22735208	WBDOYXMGZHEBKF-RUZDIDTESA-N	463.626	2.675	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(-n4nc(C)cc4C)c(C(=O)O)c3)C2=O)cc1	408535646	ZHSUYXLYCMFQAR-UNOMPAQXSA-N	475.461	2.775	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(=O)O)c(OC)c3)C2=O)cc1	409044213	UJAVMCNNRLALBV-OVCLIPMQSA-N	474.853	2.877	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)cc1	6162962	YOSWKRHSRALYPT-LDADJPATSA-N	451.460	2.569	10	40	JFCB	
Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)cc(=O)c2c1	15831154	RPAQZYQOHCLTME-LJQANCHMSA-N	454.548	2.997	10	40	JFCB	
O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c2ccccc21)NC[C@@H]1CCCO1	9463609	UWHVLFZQCZKZOT-PBGVMVHZSA-N	492.557	2.660	10	40	JFCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCN1CCN(C(=O)/C=C/c2ccccc2)CC1	100149274	IOCBDBQBMZRLSN-WNLZPUCHSA-N	488.548	2.648	10	40	JFCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)C(=O)NC2=S)cc1	408968225	XIYFVNJERHIBDS-FYJGNVAPSA-N	494.598	2.881	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@H]1c1ccc(N(C)C)cc1	409335401	WQPPKAXGZLKAKL-CVGPFBNFSA-N	493.585	2.687	10	40	JFCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1	9306408	OGTFWWWCWXFNQF-KQWNVCNZSA-N	460.494	2.987	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4nc(Cl)nc5[nH]cnc45)C3)CC2)cc1	13548550	YWNRMDRBURHLTJ-HNNXBMFYSA-N	455.950	2.580	10	40	JFCB	
CN1CCN([C@H](CNC(=O)c2cc3ccccc3oc2=O)c2ccc3c(c2)CCCN3C)CC1	22734785	CDQGUBLYYUVUEP-XMMPIXPASA-N	460.578	2.894	10	40	JFCB	
NC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	408905122	TZVPXLQMRGRXAF-NTUHNPAUSA-N	450.303	2.689	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccsc3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1	408982168	ISDXLKLJNXTYFA-VOMPUTFMSA-N	453.589	2.926	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1	409073855	IYKSNXHOFNJDPL-UHFFFAOYSA-N	457.316	2.675	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1	678382	AZEWREFMJXWLIF-PZHBDVNGSA-N	463.559	2.570	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOc1ccccc1OC	13941877	FSVKFNXYHNKWEQ-UHFFFAOYSA-N	454.479	2.986	10	40	JFCB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)OCC(=O)NCCN1C(=O)CSC1=S	13148932	FUDRFTFTUWNPTI-VOTSOKGWSA-N	496.973	2.506	10	40	JFCB	
N=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	100571556	PQLVJDZPOKPQJK-RSRMSENYSA-N	493.501	2.513	10	40	JFCB	
COc1ccc(N2CCN([C@H](C(=O)O)c3cn(CC(=O)O)c4ccc(OC)cc34)CC2)cc1	36358636	KUMOZNHAPYUUNK-QHCPKHFHSA-N	453.495	2.691	10	40	JFCB	
O=C1/C(=C/c2c(NC[C@H]3CCCO3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1	8858026	YMJSJYZRSPBJMO-HJHPPFKDSA-N	472.592	2.666	10	40	JFCB	
COC(=O)[C@]1(CCSC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	20150637	XUDDVVIZLWWTEK-UWHHFBIGSA-N	467.591	2.868	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCOCCOc1ccccc1	41077934	XHAUITFRSPWUOU-UHFFFAOYSA-N	468.506	2.994	10	40	JFCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1Cl	408948849	HCPNQKDEGFDAHB-UUILKARUSA-N	493.255	2.940	10	40	JFCB	
COc1ccccc1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](CC(C)C)(C(=O)O)[C@@H]2C1=O	15276102	RWNPWOPGEUVXLG-GBWYYYKWSA-N	468.506	2.729	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1	104204047	MMKWYDMAFMAUDD-PXFSWQRTSA-N	469.508	2.850	10	40	JFCB	
CS(=O)(=O)N(CC(=O)NCc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl	13675042	MPXPGMPVPZADLG-UHFFFAOYSA-N	472.394	2.912	10	40	JFCB	
CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(CS(=O)(=O)c3ccc(F)cc3)no2)cc1	15673968	ORDJQUDXZOVJHW-QUCCMNQESA-N	460.531	2.557	10	40	JFCB	biogenic,in-vitro
CCOc1ccccc1-n1nnnc1SCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	24831582	NMDXXANZDGRVEB-UHFFFAOYSA-N	468.583	2.648	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1	408909634	HWJOVBQGMBXVEC-VGOFMYFVSA-N	460.895	2.882	10	40	JFCB	
CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)s1	9404769	IEHHDBRSIMPCEF-MDWZMJQESA-N	480.593	2.966	10	40	JFCB	
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCN(Cc3ccccc3)CC1)c2NCCO	19950162	BBRAYFVSOUGASM-UHFFFAOYSA-N	469.541	2.824	10	40	JFCB	
CCN(CCO)c1ccc(N/C=C2/C(=O)N=C(S)N(c3cc(OC)ccc3OC)C2=O)cc1	103227155	SAVJYQCJXUXDCM-JXAWBTAJSA-N	470.551	2.677	10	40	JFCB	
Cc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	409107972	UPKCQRPLJPQLIR-VCHYOVAHSA-N	477.564	2.729	10	40	JFCB	
O=C(CCn1c(O)nc2ccccc2c1=O)Nn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	1547138703	QEWGLZHVSWGBFC-UHFFFAOYSA-N	478.464	2.789	10	40	JFCB	biogenic
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)cc1	9260046	FITWXNWTDYGKMD-JCMHNJIXSA-N	486.528	2.729	10	40	JFCB	
CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	100794553	PPYQWPZISXUSET-MHWRWJLKSA-N	490.257	2.828	10	40	JFCB	
CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/Nc2ccc(S(N)(=O)=O)cc2)SC1=S	256055723	QSAMZCUPRSSDTJ-XIDKLXSXSA-N	491.616	2.622	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/NC(=O)Nc3ccc(Br)cc3)C2=O)cc1	408531502	KPRIOAOIJYUHLH-GDNBJRDFSA-N	459.256	2.746	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(N)=O)cc1	408957075	ZYXDBPVZDIEDQE-VXLYETTFSA-N	472.457	2.588	10	40	JFCB	
COc1ccc(CN2C(=O)/C(=C/c3c(NCCO)nc4ccc(C)cn4c3=O)SC2=S)cc1	2372741	YMEFXPZTQNXJMY-WQRHYEAKSA-N	482.587	2.817	10	40	JFCB	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N1c2cccc3cccc(c23)S1(=O)=O	10113402	YADLYADEWFHCQT-KRWDZBQOSA-N	451.548	2.890	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc4c(cc3Br)n(C)c(=O)n4C)C2=O)c(C)c1	408534809	RGYPEDOMTIYZMM-JLHYYAGUSA-N	498.337	2.835	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4[nH]c(O)nc4cc3Br)C2=O)cc1	408539371	WBOLOYBISSORTB-FLIBITNWSA-N	456.256	2.918	10	40	JFCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Br)c(N4CCOCC4)o3)C2=O)cc1	408859393	WUMJFFTUOINKBZ-XNTDXEJSSA-N	460.284	2.854	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)cc1	409230275	XYZGMALPVOURTO-LVLBFHFTSA-N	454.435	2.612	10	40	JFCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)S1	9763280	TVYWWPHXURJLLG-ONNFQVAWSA-N	478.118	2.781	10	40	JFCB	
O=C(CN1C(=O)C[C@@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1ccc(O)cc1	16051098	BTYVKQGDOJWIOI-VJWVTMRQSA-N	493.566	2.916	10	40	JFCB	
O=C1NC(=S)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1	409191817	OAMPJGXVWLCNSC-LDADJPATSA-N	462.443	2.915	10	40	JFCB	
COCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S	2261096	HZCDORRTIXESGP-UIMCMNAESA-N	496.614	2.996	10	40	JFCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCC(=O)OC	409333534	UIYWDPBAKLIKSN-WDZFZDKYSA-N	479.317	2.731	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCc3ccc(C)cc3)c3ccco3)CC2)cc1	56945968	WZCRCCDKABAEPD-DEOSSOPVSA-N	476.577	2.893	10	40	JFCB	
COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H](C)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2C)cc1	103832016	ILQHWXJCKBYRPY-DZFGPLHGSA-N	492.528	2.946	10	40	JFCB	
O=C(O)Cc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CC(=O)NCCCCCO2	643575711	ITBRGJMECJWFQB-UHFFFAOYSA-N	481.593	2.831	10	40	JFCB	
Cc1ccc(CN2C(=O)/C(=C/c3c(NCCOCCO)nc4ccccn4c3=O)SC2=S)cc1	8858052	PTCDUBDJYSCGJG-RGEXLXHISA-N	496.614	2.825	10	40	JFCB	
NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(N4CCCCCC4)cc3)CC2)cc1	9602769	SDWKWNDEPIEEFG-VGOFMYFVSA-N	496.633	2.712	10	40	JFCB	
CCN(C(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1	10232970	HCEOBNGLOVHOTG-CNYBTUBUSA-N	473.041	2.967	10	40	JFCB	
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)cc2)C[C@H](C)O1	16134536	FCCVOPUECMGCHS-PMACEKPBSA-N	487.622	2.593	10	40	JFCB	
COc1ccc(C)cc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCOCC1	22735517	MQGFQUNNOFEKQO-QFIPXVFZSA-N	459.612	2.738	10	40	JFCB	
[N-]=[N+]=NCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F	96503451	CTQBVFHQTORDAJ-UHFFFAOYSA-N	483.415	2.932	10	40	JFCB	
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	885631	SCECIFLCBXEPIW-FMIVXFBMSA-N	480.315	2.849	10	40	JFCB	
O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccccc3Cl)[nH]c3cccc[n+]3c2=O)SC1=S	101035210	IYMKOGFNHBDEKZ-ZROIWOOFSA-O	474.927	2.845	10	40	JFCB	
O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)NCCN1C(=O)CSC1=S	9582979	OYUWKBQJAUFTQU-UHFFFAOYSA-N	480.571	2.673	10	40	JFCB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)C[C@@H](C)O1	11990764	IIBGDNXDVUXBRS-YHRLDGCVSA-N	486.619	2.688	10	40	JFCB	
O=C1NC(=S)NC(=O)C1=Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	409065633	IJFQJFWMANDEFE-UHFFFAOYSA-N	457.316	2.675	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c(Br)c(Br)c1O	409230759	GEOJPVDJLPLXSC-BJMVGYQFSA-N	497.099	2.987	10	40	JFCB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O	409235137	ANVYXNPYICYBRO-FYJGNVAPSA-N	487.516	2.733	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@H](NC(=O)c3c(F)cccc3F)C(C)C)CC2)cc1	32910687	MQACHIVJIGVLNS-HSZRJFAPSA-N	489.519	2.620	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(I)c1OC	409226169	PJPGWRPORZGCTL-NTUHNPAUSA-N	493.257	2.760	10	40	JFCB	
NS(=O)(=O)c1ccc(-n2cccc2/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)cc1	3767536	OCCADCSUJKKZGF-WQRHYEAKSA-N	477.329	2.893	10	40	JFCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc4c(c3)OCCO4)N3CCCCC3)ccc21	23858021	UREKYKBCVCOCHW-QFIPXVFZSA-N	464.566	2.732	10	40	JFCB	
CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)N=C2S1	41083883	HVYUCVIPLFKSHI-HJDDMPKESA-N	458.477	2.656	10	40	JFCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1	2355687	DIYRXGADUWZVFA-FMIVXFBMSA-N	464.247	2.684	10	40	JFCB	
COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	8451846	JFADYMUYDJHENV-DBRLUCFCSA-N	486.546	2.610	10	40	JFCB	
CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)c2cc(Br)ccc21	27563192	LOWMTYQCKHUVHD-XBFWFABISA-N	455.355	2.949	10	40	JFCB	
COc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1	41077837	GJXFNLNVLOUFSU-HJMKZUPFSA-N	484.515	2.536	10	40	JFCB	
COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1	408874715	FRCHNZVQPRKDEF-LZYBPNLTSA-N	478.288	2.802	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cnn(C)c3C)c(=O)n2[C@H]1c1ccc(N(CC)CC)cc1	22752456	WWECCSPVZJZOMC-YJADQXIJSA-N	493.633	2.686	10	40	JFCB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)C[C@H](C)O1	33916789	IIBGDNXDVUXBRS-KZJRPFBVSA-N	486.619	2.688	10	40	JFCB	
COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(C)C)(C(=O)O)N[C@H]2c1cccc(OC)c1O	100119663	RWNPWOPGEUVXLG-PBQROFAYSA-N	468.506	2.729	10	40	JFCB	
Cc1ccc(NC(=O)COc2ccc(Br)cc2C=C2C(=O)NC(=O)NC2=O)cc1C	409268784	AJUWMUWIMJTEEJ-UHFFFAOYSA-N	472.295	2.833	10	40	JFCB	
O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(Cl)cc2)c(S(=O)(=O)N2CCOCC2)c1	12561327	UNKKPJYFYWWCOA-UHFFFAOYSA-N	471.948	2.583	10	40	JFCB	
COCCCN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S	27016454	OFYYIWLNOYWOBK-LLAMLJDKSA-N	488.635	2.854	10	40	JFCB	
CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N(C)C1=O	9090015	RRRGLPTUPPHSJG-RMKNXTFCSA-N	489.532	2.864	10	40	JFCB	
CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1	104204053	MMKWYDMAFMAUDD-LSJZCYCUSA-N	469.508	2.850	10	40	JFCB	
O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	225547559	LNWADFDEUVKIJA-LJQANCHMSA-N	478.014	2.894	10	40	JFCB	
COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1I	33732951	VYYXNAJEKQAGKC-GQVHDAKQSA-N	492.269	2.693	10	40	JFCB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3C(=O)OC4(CCCCC4)OC3=O)cc2)n1	101268505	RRUCQFKRMIZIIB-UHFFFAOYSA-N	472.523	2.950	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)CC2)cc1	921146	JLHIXHAHLRRCMV-UHFFFAOYSA-N	493.651	2.771	10	40	JFCB	
COc1ccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)N(C)C(=O)N(C)C4=O)[C@H]3C2)cc1	8773684	DNCGJZWYFSWWDB-HXUWFJFHSA-N	468.941	2.637	10	40	JFCB	
COC(=O)COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O	9311454	HMJMYKSRBNPITH-GDNBJRDFSA-N	475.320	2.832	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(c3ccccc3F)CC2)cc1	13504437	ICAKTYNKADBRAA-QPPBQGQZSA-N	465.577	2.969	10	40	JFCB	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21	62569609	DTWHBEZTNFUMBB-UHFFFAOYSA-N	484.622	2.731	10	40	JFCB	
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)cc1OC	16693377	OGUUODVCTGPXGR-PTNGSMBKSA-N	451.595	2.904	10	40	JFCB	
CCOc1cccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)c(OC)c3)C(=O)NC2=S)c1	409016688	VKXOEXJLJINVSW-VGSSETLESA-N	470.503	2.777	10	40	JFCB	
CN1CCN(C(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)CC1	1565524615	MCETWMCWTDJVLN-SANMLTNESA-N	457.578	2.952	10	40	JFCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(NCCO)nc4ccccn4c3=O)SC2=S)cc1	2367259	WXPSCMMNLCAKKC-JXAWBTAJSA-N	482.587	2.551	10	40	JFCB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C	20287470	XLVLGAKGPCOUTG-QNGOZBTKSA-N	457.556	2.789	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)N(Cc3cc(OC)ccc3OC)C3CC3)nnc2n1	40155431	KUOQPUNHRAFUEZ-UHFFFAOYSA-N	486.602	2.683	10	40	JFCB	
CCc1cc(=O)n(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)c(-c2ccc(F)cc2)n1	57508780	IYDNSMSDZJOAKH-UHFFFAOYSA-N	450.514	2.969	10	40	JFCB	
Cc1c(N/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(=O)n(-c2ccccc2)n1C	100798752	TXJYRYMOLHFMTL-SFQUDFHCSA-N	451.870	2.717	10	40	JFCB	
COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2cc(Br)ccc21	409149237	ZNLSZUWOCFTNJK-CHHVJCJISA-N	468.398	2.997	10	40	JFCB	
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=N)N21	20206320	HLPZGZBFHWRAHP-QNMDCZIWSA-N	485.503	2.795	10	40	JFCB	
CCOC(=O)CCC(=O)Oc1ccc2c(c1OC(=O)CCC(=O)OCC)C(=O)c1ccccc1C2=O	5663333	POJYBMFIKSJVSK-UHFFFAOYSA-N	496.468	2.959	10	40	JFCB	
COc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1C	22735496	UMSNWQDTEFDGCU-HSZRJFAPSA-N	459.612	2.738	10	40	JFCB	
CCNc1nc(NCC)n2c(SCC(=O)Nc3sc4c(c3C(=O)OCC)CCC4)nnc2n1	27526551	KIJIAQZYGPMPDX-UHFFFAOYSA-N	490.615	2.841	10	40	JFCB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CC(C)C)(C(=O)O)N[C@H]3c2cccc(OC)c2O)cc1	33740172	LYYPIGARKJVYOQ-ZDQHKECQSA-N	468.506	2.729	10	40	JFCB	
COc1ccc(N2CCN(C(=O)CCc3nnc4n(CC(C)C)c(=O)c5ccccc5n34)CC2)cc1	9968910	VSPSQEABIIPONU-UHFFFAOYSA-N	488.592	2.990	10	40	JFCB	
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(O)c(O)c1)OCC3	13576100	CITLHJNJYYONFL-OAQYLSRUSA-N	453.882	2.890	10	40	JFCB	
C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O	13613666	TYZVUDGMJPTRRZ-INIZCTEOSA-N	451.976	2.648	10	40	JFCB	
Oc1c(I)cc(I)cc1CNCc1cn[nH]c1	48277663	GQWMIYTWGXAFFQ-UHFFFAOYSA-N	455.037	2.614	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	102494165	HHSLJRTTWVZYDB-PCJMVEANSA-N	467.279	2.997	10	40	JFCB	
O=C(O)CN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccccn3c2=O)SC1=S	9210516	KAYFNJQERJKWGX-ZROIWOOFSA-N	457.464	2.912	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccc(OC)c(OC)c3)c3nnnn3C[C@@H]3CCCO3)CC2)cc1	13504503	HSHVNGPZEGYLIM-WIOPSUGQSA-N	494.596	2.790	10	40	JFCB	
Cc1cc(C(=O)CN2CCN(S(C)(=O)=O)CC2)c(C)n1-c1ccc(OC(F)(F)F)cc1	24508832	BUVPPEMSAVOFMD-UHFFFAOYSA-N	459.490	2.753	10	40	JFCB	
CCOc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(Br)c(Br)c1O	96193715	AFUUPTHCEIXWMJ-UHFFFAOYSA-N	462.094	2.750	10	40	JFCB	
O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1	96234374	IEGKNCOQSQPUDA-RVDMUPIBSA-N	479.345	2.676	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O	409218885	IGAFYZLQHOPWDU-WLRTZDKTSA-N	478.288	2.841	10	40	JFCB	
CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC	409410136	ZGQUUUULMMXTEI-DHDCSXOGSA-N	475.295	2.861	10	40	JFCB	
CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1	9355078	PPYQWPZISXUSET-YBEGLDIGSA-N	490.257	2.828	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@H]1c1cccc(C)c1	20801490	UQGJEWWUIWVJAK-VXKWHMMOSA-N	450.539	2.532	10	40	JFCB	
COc1cc2c(cc1OC)CN(CC(=O)c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)CC2	35436268	DBDVRMOWBREHHV-UHFFFAOYSA-N	483.590	3.000	10	40	JFCB	
CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(OCCOc4ccccc4)cc3)C(=O)N=C2S1	41077745	GUGPHJQYSXLRKU-LKUHCXOVSA-N	470.532	2.766	10	40	JFCB	
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(=O)O)C(=O)O)C3=O)o2)c([N+](=O)[O-])c1	95909115	NYGJQEDISVOGKW-QVYJARAXSA-N	478.460	2.993	10	40	JFCB	
CCOCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCOC)C1=O	8858353	WNILLMSFDPSSJX-PEZBUJJGSA-N	462.597	2.771	10	40	JFCB	
CCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21	23935718	OXDLVTDSMRNNHN-UHFFFAOYSA-N	457.600	2.637	10	40	JFCB	
CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1	263614380	IJPUPVHRAZCFRI-UHFFFAOYSA-N	480.480	2.995	10	40	JFCB	in-vitro
O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\N1CCN(Cc2ccccc2)CC1	408551999	QXMQVPKMXMGGGY-VKAVYKQESA-N	458.946	2.929	10	40	JFCB	
COc1ccc(CN2C(=O)/C(=C/c3c(NCCCO)nc4ccccn4c3=O)SC2=S)cc1	2342483	GBZCFSQVDTUNBJ-AQTBWJFISA-N	482.587	2.899	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(OC(F)F)c(OC)c3)CC2)cc1	12640601	FRWHDKRBOMSRDK-UHFFFAOYSA-N	450.438	2.811	10	40	JFCB	
COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cc(OC)ccc3C)CC2)cc1	22230101	NOPYGOHTLIBURA-QFIPXVFZSA-N	473.595	2.514	10	40	JFCB	
COC(=O)Cc1c(C)c2ccc(O)c(CN3CCN(c4ccccc4OC)CC3)c2oc1=O	95473245	NOOTXOSWXQIZQB-UHFFFAOYSA-N	452.507	2.853	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4c(ccn4[C@H](C)C(=O)O)c3)C2=O)c(OC)c1	9290860	MWDQQTFRYNGWEN-VVBXCHJUSA-N	463.446	2.971	10	40	JFCB	
CCc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5N=CSC5=NC4=O)cc3OC)nc2s1	41076647	ACEBULQNFZQJBE-WCZYSDHJSA-N	495.546	2.550	10	40	JFCB	
CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)c(Cl)c3)N3CCOCC3)ccc21	21887043	ZRWPIZLLHHMTPX-QFIPXVFZSA-N	474.964	2.990	10	40	JFCB	
Cc1cc([C@H]2NC(=O)c3ccccc3N2C)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1	19356476	LFLIEEKHGNOBCQ-DEOSSOPVSA-N	480.590	2.993	10	40	JFCB	
Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22735764	GUHAQTFGVJOEDO-OAQYLSRUSA-N	450.004	2.993	10	40	JFCB	
COc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(c3ccc(OC)cc3)CC2)cc1	13504454	HQYZOLHXBWVUCY-BJKOFHAPSA-N	464.570	2.781	10	40	JFCB	
CCOc1ccc(-c2ccc(/C=C3/C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)o2)c([N+](=O)[O-])c1	41077711	VYJZAOJPNACUGI-TUQWILOLSA-N	489.491	2.875	10	40	JFCB	
COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2nc3ccccc3s2)CC1	13496358	JPCMGPPQQBZAHJ-JOCHJYFZSA-N	478.626	2.907	10	40	JFCB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	12466493	HHSLJRTTWVZYDB-KTZOAPACSA-N	467.279	2.997	10	40	JFCB	
CCOC(=O)N1CCN(C(=O)CCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)CC1	13424551	SGIVPKWGQYEWHX-SAPNQHFASA-N	463.581	2.587	10	40	JFCB	
COC(=O)C[C@@H](c1cnn(C)c1C)c1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	96115701	ZPRXNRKIZZPYRH-LBPRGKRZSA-N	482.445	2.725	10	40	JFCB	biogenic
CCN(CC)c1ccc(CNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	225227401	RNTHRHRKYBZHQV-KRWDZBQOSA-N	461.584	2.775	10	40	JFCB	
COc1ccc2c3c(n(CCn4c(=O)c(=O)[nH]c5ccccc54)c(=O)c2c1OC)-c1ccccc1C3=O	604406360	RBSUEYYLONEVCZ-UHFFFAOYSA-N	495.491	2.934	10	40	JFCB	biogenic
CN(C)S(=O)(=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)cc1	33363604	BBBZZDRRJUPEIV-UHFFFAOYSA-N	483.458	2.775	10	40	JFCB	in-vitro
CC(=O)[C@@H](/N=N\c1ccc(S(=O)(=O)N[C@H]2ON[C@@H](C)[C@H]2C)cc1)C(=O)Nc1ccccc1C	104124110	GKBYXCGXMKHTMF-KILCFTQOSA-N	473.555	2.839	10	40	JFCB	
CC[C@@H](C)N1C(=O)/C(=C/c2c(NCCCN3CCOCC3)nc3ccccn3c2=O)SC1=S	16735672	POWCQYYTESIFGI-BJYOTHFNSA-N	487.651	2.828	10	40	JFCB	
O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCN(CCc2ccccn2)CC1	19901987	WLBSGYDYSHNKOZ-CAPFRKAQSA-N	452.605	2.670	10	40	JFCB	
O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCN(CCc2ccccn2)CC1	19902034	NZPNCGIJKRUSGM-HMMYKYKNSA-N	470.595	2.809	10	40	JFCB	
Cc1nn2c(=O)cc(COc3ccc(/C=C4/C(=N)N5C=CSC5=NC4=O)cc3)nc2s1	20332059	AVFKNFDSGLYXRQ-OKIZQULLSA-N	450.505	2.815	10	40	JFCB	
COc1ccc(C2(CN/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)CCOCC2)cc1	20625162	YYKJUXSZMXCCIS-HMMYKYKNSA-N	451.548	2.665	10	40	JFCB	
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCN(C)CC1	22734486	WBOVMBURMDBCTB-HSZRJFAPSA-N	470.017	2.684	10	40	JFCB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	40221157	JLZHTDDCYDADCR-GDNBJRDFSA-N	469.500	2.781	10	40	JFCB	
COC(=O)C1=C(CN2CCN(c3ccc(OC)cc3)CC2)NC(=O)N[C@H]1c1cccc(Cl)c1	57415095	YUKMTSMVXNXLPH-QFIPXVFZSA-N	470.957	2.952	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OCC(N)=O)c(OCC)c3)C2=O)cc1	409223142	HFDJKMQLDLWZGZ-CXUHLZMHSA-N	487.896	2.668	10	40	JFCB	
CC(C)Nc1nc(NC(C)C)n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2n1	27300341	YPJRQVVTRWHVPE-UHFFFAOYSA-N	458.548	2.662	10	40	JFCB	
CCN(CC)c1cc2[nH]c(O)nc2cc1N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O	408528622	HYKAKEXDHONUQK-OUKQBFOZSA-N	464.482	2.702	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1Br	408692428	MGJFYENRMNOFMQ-NTEUORMPSA-N	465.300	2.795	10	40	JFCB	
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)O)c4ccccc34)C(=O)NC2=S)c(OC)c1	409098157	NPSZQLMYSZMGMU-CXUHLZMHSA-N	465.487	2.574	10	40	JFCB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(OC)cc3)CC2)N[C@@H]1c1cccc(C)c1	20801482	UQGJEWWUIWVJAK-FCHUYYIVSA-N	450.539	2.532	10	40	JFCB	
COc1ccc(OC)c(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)N=C2S)c1	102503949	YMOBNKQXTQKQFD-LGMDPLHJSA-N	493.545	2.657	10	40	JFCB	
COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC	408845600	KRJDOMDLSBJNSQ-VGOFMYFVSA-N	462.817	2.706	10	40	JFCB	
Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(SCC(=O)O)c(O)c4ccccc34)ccc21	1893406	MPVOMYOUCHNTSW-UHFFFAOYSA-N	460.489	2.968	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](CC(C)C)C(=O)O)C2=O)cc1OC	8870128	MUPFVILOMZWHCF-MPMPPSQCSA-N	466.581	2.911	10	40	JFCB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-]	33431389	SXJZRJZCCOTOIB-FMNVXAMXSA-N	469.450	2.785	10	40	JFCB	
COCCN1C(=O)/C(=C/c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S	2379418	YOOVMQPSTUQSLX-XIDKLXSXSA-N	482.587	2.688	10	40	JFCB	
CCN1C(=O)/C(=C/c2c(NCCCn3ccnc3)nc3ccc(C)cn3c2=O)SC1=S	16805672	NXNLURYFKGPODN-WJDWOHSUSA-N	454.581	2.923	10	40	JFCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)N1CCN(c2ncccn2)CC1	9155630	ZPUZYUXAQDECNH-UHFFFAOYSA-N	466.567	2.572	10	40	JFCB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	12553119	OJWCPRLYVHEPNX-AQKVLALTSA-N	493.029	2.713	10	40	JFCB	
COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc(OC)c1OC	22733210	QJKVIWWXNBJZCT-NRFANRHFSA-N	455.555	2.508	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1	409066066	AIZXJRYJYPMAJQ-UHFFFAOYSA-N	471.274	2.519	10	40	JFCB	
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1[N+](=O)[O-]	35104038	VRTCDHGBVLHLAA-GPILYODUSA-N	490.266	2.759	10	40	JFCB	
Nc1c(Br)cc(Br)c2c1C(=O)c1c(cccc1S(=O)(=O)O)C2=O	4365829	DXZPYQPJOJTKPU-UHFFFAOYSA-N	461.087	2.816	10	40	JFCB	
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c2ccc3c(c2)CCCN3C)CC1	22735126	KKESZWLMAZDCSA-QHCPKHFHSA-N	488.007	2.905	10	40	JFCB	
CN1C(=O)C(=CNCCCN(C(=S)Nc2ccccc2)C2CCCCC2)C(=O)N(C)C1=O	20220048	OMFZAQXIRSJAFH-UHFFFAOYSA-N	457.600	2.932	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cccs3)c3cccnc3)CC2)cc1	56896351	ZLRICQMYFMPPAE-NRFANRHFSA-N	458.609	2.994	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(Br)c(Br)c1O	409392947	OKDHNMLVSZGQJS-UXBLZVDNSA-N	497.099	2.987	10	40	JFCB	
COc1ccc(N2CCN(C(=O)C3CCN(c4nc(Cl)nc5[nH]cnc45)CC3)CC2)cc1	9421195	QNCHGBUDYOLPCO-UHFFFAOYSA-N	455.950	2.580	10	40	JFCB	
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)ccc21	41091533	UIHVEIHIPREPKA-JOCHJYFZSA-N	474.494	2.918	10	40	JFCB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	409330602	BRWKAXHHUVDWHT-PZHBDVNGSA-N	492.557	2.881	10	40	JFCB	
CCOc1ccc(N2C(=O)/C(=C/NC3CCN(Cc4ccccc4)CC3)C(=O)NC2=S)cc1	19995372	KGDTWFPJUMTAGW-CJLVFECKSA-N	464.591	2.971	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)O)c(O)c3)C2=O)ccc1O	54360671	AAWGLTXVABYXGN-APSNUPSMSA-N	460.489	2.645	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3ccc(Cn4nnc5ccccc5c4=O)cc3)CC2)cc1	138141516	MVPPEBOBESGSNU-UHFFFAOYSA-N	455.518	2.811	10	40	JFCB	
COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1	408554002	XZLLHYBXRJCASV-UHFFFAOYSA-N	480.329	2.934	10	40	JFCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(I)c1	408904128	FEMFLVDPKZNEKB-XYOKQWHBSA-N	450.257	2.828	10	40	JFCB	
CSc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)c1	22734912	PMQZPFBKZFFJAP-HSZRJFAPSA-N	468.623	2.919	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1O[C@@H](C)C(=O)O	409020967	WICPNEBNMBMXCY-FBJMNJBLSA-N	454.504	2.995	10	40	JFCB	
O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O)Nc1ccccc1Cl	1105265	XNEXKWBRDXYIOX-UHFFFAOYSA-N	450.303	2.925	10	40	JFCB	
CCOC(=O)CN1C(=O)/C(=C/N2N=C(c3ccc(Br)cc3)C[C@@H]2C(=O)O)SC1=S	256055719	QQFNBMVRWBPSRC-HRYODUOUSA-N	498.380	2.577	10	40	JFCB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](CCSC)C(=O)O)C2=O)cc1	8870110	SUHHEHOPPHRPDP-XDPMZMSMSA-N	454.595	2.609	10	40	JFCB	
CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)cc1OC	15938898	YIUWSTBABBLVJM-SXGWCWSVSA-N	475.295	2.861	10	40	JFCB	
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc1F	22735173	MVFJAKPPOCPFDM-XMMPIXPASA-N	467.589	2.560	10	40	JFCB	
CN(C)c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(Cc3ccccc3)CC2)cc1	22928941	XPWQOHWIXFFFGM-DQEYMECFSA-N	461.614	2.825	10	40	JFCB	
CCn1cc(/C=C2\SC(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)=NC2=O)c(C)n1	36621309	VYVJNDQGNFSUQN-PDGQHHTCSA-N	480.015	2.842	10	40	JFCB	
COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(OC)c3)C2=O)cc1	1184669	LEYJSMJAAZEKNK-ZSOIEALJSA-N	489.278	2.919	10	40	JFCB	
C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N(C)Cc1ccc(N2CCOCC2)cc1	13121338	VTFMEHLXFMZSGQ-HXUWFJFHSA-N	486.638	2.767	10	40	JFCB	
Cc1cc(N2C(=O)NC(=O)/C(=C\NC(=S)NCc3ccccc3)C2=O)ccc1Br	408533074	OASMDQSJOFRUBF-RVDMUPIBSA-N	473.352	2.889	10	40	JFCB	
COC(=O)COc1c(I)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC	9310448	KSJCHKKGKMQISP-IZZDOVSWSA-N	479.317	2.683	10	40	JFCB	
CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O	16022223	RGGHTDNUGBUOLN-KCZAQHBKSA-N	469.925	2.513	10	40	JFCB	
C[C@H](NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1	408670789	YFHQVAROCCVEOR-IITNATTFSA-N	460.530	2.970	10	40	JFCB	
COc1ccc(N2CCN([C@@H](c3ccccc3OC)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504464	HKYMCIAFLUTXIT-QPPBQGQZSA-N	464.570	2.781	10	40	JFCB	
COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(Br)c1OCC(N)=O	13914270	YEWZGMDPRHBUAT-CHHVJCJISA-N	488.294	2.826	10	40	JFCB	
COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)cc1OC	33562092	CNJCHORFISOBKJ-KPENOIPVSA-N	475.295	2.859	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC#N	33596262	LTANFUOQXPKBQO-ZROIWOOFSA-N	475.242	2.664	10	40	JFCB	
CCCn1c(=O)/c(=C2/C=Cc3ccccc3N2CC)s/c1=C1\SC(=S)N(CC)C1=O	100181156	LKJOLIJUDIHATA-FITPRZRESA-N	457.646	2.970	10	40	JFCB	
CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCC(=O)OC	408695725	XUGORTUTGMBZSH-RIYZIHGNSA-N	495.326	2.804	10	40	JFCB	
CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NCCN4CCCC4=O)c4ccccc34)[C@H]21	1565525023	XAQXAHUTOCEGSW-MHZLTWQESA-N	485.588	2.917	10	40	JFCB	
CCCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(C(=O)O)c3)C2=O)cc1OC	409210981	MLLRVYYSQUVJQG-LFIBNONCSA-N	454.435	2.857	10	40	JFCB	
NC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	409220021	XNSNWFQOSJYNPI-RIYZIHGNSA-N	478.686	2.633	10	40	JFCB	
CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)N3CCCCC3)ccc21	8801602	BYOISNUABYOTQN-JOCHJYFZSA-N	457.596	2.956	10	40	JFCB	
COc1cc2ncn(CCCC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c(=O)c2cc1OC	10165802	ZBKAVUMGRSWBFS-UHFFFAOYSA-N	480.565	2.689	10	40	JFCB	
CCN(CC)c1ccc([C@@H]2N[C@](C)(C(=O)O)[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)c(O)c1	15306791	KKLLQPHSPKYEEH-VWEIPLKFSA-N	451.523	2.527	10	40	JFCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O	409243930	ZCZGDWLZFAOSJK-CPNJWEJPSA-N	451.548	2.980	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N(CC(=O)N(CCO)c3ccccc3)C2=O)cc(OC)c1OC	11866673	DLQCWRBOOKFQRE-UYRXBGFRSA-N	488.587	2.939	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)c3cc(OC)c(OC(F)F)cc3[N+](=O)[O-])CC2)cc1	40024250	JVLHOIBSRPBVGA-UHFFFAOYSA-N	495.435	2.719	10	40	JFCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967175	QGHTVTXTDAVIDM-LDADJPATSA-N	482.493	2.547	10	40	JFCB	
COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2cc(Br)ccc21	409140539	ITKUMLDFBZUZEB-FRKPEAEDSA-N	486.278	2.832	10	40	JFCB	
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1[N+](=O)[O-]	3188077	CUKYWZMNWFXHGW-UHFFFAOYSA-N	461.434	2.890	10	40	JFCB	
COc1ccc(Nc2cc(N3CCN(CCO)CC3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	20572539	VAWFBQGVJKMLGH-UHFFFAOYSA-N	472.545	2.911	10	40	JFCB	
CN1CCN([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)c2ccc(N(C)C)cc2)CC1	23080618	FTRHHXCGKIRJSQ-VWLOTQADSA-N	456.656	2.898	10	40	JFCB	
CCN(C(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1	54360624	SNZDMFKZYXHBOC-OKSBFYSISA-N	482.649	2.712	10	40	JFCB	
CN(C)c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCCC3)CC2)cc1	22928924	CZJBDMQNWJCIFS-BJKOFHAPSA-N	453.635	2.958	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(NCCCOC(C)C)nc12	13713512	KODKIUHBKPPWKN-GDNBJRDFSA-N	476.580	2.516	10	40	JFCB	
COc1ccc(N2CCN([C@H](c3ccc(OC)cc3OC)c3nnnn3C[C@H]3CCCO3)CC2)cc1	13504481	HGMBABCEKJRALH-RCZVLFRGSA-N	494.596	2.790	10	40	JFCB	
COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3ccc4c(c3)OCCO4)c3ccco3)CC2)cc1	56946381	MYCMIKJKPAZFJD-QFIPXVFZSA-N	499.589	2.901	10	40	JFCB	
COc1ccc(N2CCN(C(=O)Cn3cnc4c(-c5cccc(OC)c5)cn(C)c4c3=O)CC2)cc1	67235649	SCCZHOAUONVLEK-UHFFFAOYSA-N	487.560	2.768	10	40	JFCB	
CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(OC)c3O[C@H](C)C(=O)O)C2=O)c1	409239176	ORHVAGQBNCBTPQ-VVBXCHJUSA-N	454.435	2.612	10	40	JFCB	
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1	22734148	XAYFIFJEYACKLO-JOCHJYFZSA-N	456.974	2.769	10	40	JFCB	
COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)CC2)cc1	32910121	QBPODBQQGUVDNZ-DEOSSOPVSA-N	483.565	2.838	10	40	JFCB	
CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)c(C)c1	22735608	MCPILEXINLUKKY-RUZDIDTESA-N	499.681	2.603	10	40	JFCB	
Cc1cc(C(=O)COC(=O)c2nccnc2C(=O)N2CCOCC2)c(C)n1-c1ccccc1F	32928563	SWSODPNNAQLMTF-UHFFFAOYSA-N	466.469	2.535	10	40	JFCB	
COC(=O)[C@H](C)Oc1cc(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC	33779211	LRRGXJCYVHJZAP-ZENNRRHLSA-N	475.295	2.859	10	40	JFCB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)o1	409222938	YFVVXFTXZYCVDJ-RVDMUPIBSA-N	451.426	2.966	10	40	JFCB	
Nc1ccc(N([C@@H]2CS(=O)(=O)C[C@@H]2O)S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1	575423790	QGIJHLMAQQCCKO-YADHBBJMSA-N	464.609	2.670	10	40	JFCB	
CCc1ccc2c(c1)[C@@]1(N[C@@H](Cc3ccc(O)c(O)c3)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]31)C(=O)N2	15967811	ONEXPVCGLIADDB-PXMCIRSJSA-N	497.551	2.824	10	40	JFCB	biogenic
COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1O[C@@H](C)C(=O)O	409249785	LLRINQJXJWOFAB-LUYJPIOASA-N	454.504	2.995	10	40	JFCB	
COC(=O)[C@H]1CN(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)c2ccccc2O1	24990689	GCBQAWSMAWKREN-OAHLLOKOSA-N	455.492	2.619	10	40	JFCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(C)n1-c1ccccc1	32842813	XGKICYMYWKVGIQ-LJQANCHMSA-N	499.589	2.882	10	40	JFCB	
COc1cc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc(Br)c1O	36613181	VOJBXPTUGNWCOE-ISAHRAOESA-N	476.326	2.683	10	40	JFCB	
CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Br)c2)C(=O)NC1=S	408913988	WTAFCHLUOATFTQ-RIYZIHGNSA-N	475.320	2.983	10	40	JFCB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	625774	VTACMIOVQXXBGP-FNGUVFISSA-N	451.523	2.613	10	40	JFCB	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cc(Br)c(N2CCOCC2)o1	9311428	RZRITOFOVQURNA-UVTDQMKNSA-N	462.325	2.710	10	40	JFCB	
COCCNC(=O)c1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2	9831814	JMRFBLYMFWDSGT-UHFFFAOYSA-N	452.554	2.575	10	40	JFCB	
O=C(O)COc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)cc1Br	17058149	HDESQNAREBKWLU-QPEQYQDCSA-N	463.215	2.922	10	40	JFCB	
COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)c2C)c1	106710895	LTVPRAYTZACKQI-NDENLUEZSA-N	455.536	2.998	10	40	JFCB	
CCN(CC)c1cc2c(cc1N/C=C1/C(=O)NC(=O)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n2C	408531916	PDBZHGIYELULOF-SSZFMOIBSA-N	496.955	2.955	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCC(=O)O	408776890	SCBDUWPZVKRNHS-VGOFMYFVSA-N	489.278	2.896	10	40	JFCB	
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC(N)=O	409228100	ZYHHFYSMAPHDNA-AWNIVKPZSA-N	464.261	2.533	10	40	JFCB	
Cc1cc(C(=O)CSc2nnnn2Cc2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	9368367	CFKLWSSCDZARKG-UHFFFAOYSA-N	488.620	2.813	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c(NCCCOC(C)C)nc12	9461703	UKDODLWALGHCCV-VBKFSLOCSA-N	490.607	2.906	10	40	JFCB	
O=C1[C@@H]2[C@H](Cc3ccc(O)c(O)c3)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1C1CCCCCC1	15959778	FMAVTFWVWWXAQY-HGXGVQFASA-N	475.545	2.784	10	40	JFCB	biogenic
CN(C)CCCNCc1cc(I)cc(I)c1O	48277691	FSEDARFFVDEQSZ-UHFFFAOYSA-N	460.097	2.643	10	40	JFCB	
N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC(CC(=O)N3CCOCC3)=NN12	101156486	CADOMERFYJXOTR-LFSVSOHWSA-N	494.489	2.723	10	40	JFCB	
CC1=NN(C(=O)c2cccnc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	104214150	JEXHFNSTXRONEH-SVPNMLMASA-N	492.521	2.800	10	40	JFCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cc4[nH]c(O)nc4cc3Br)C2=O)cc1	408526313	BRNOVVUMXNQWKJ-FLIBITNWSA-N	472.255	2.618	10	40	JFCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc3[nH]c(O)nc3cc2Br)C1=O	408534832	RLAAIMJITSSCPB-CSKARUKUSA-N	456.256	2.918	10	40	JFCB	
COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NC3CCCCC3)c3ccco3)CC2)cc1	56946004	ZPPNVERHLBVRHB-JOCHJYFZSA-N	454.571	2.717	10	40	JFCB	
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)N3CCOCC3)ccc21	23857638	ANNMNUCYSKAUPZ-NRFANRHFSA-N	476.499	2.826	10	40	JFCB	
COc1ccccc1N1C(=O)N=C(O)/C(=C\NC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C1=O	104147513	SZNOMHVISQKAQU-GSPCDJLXSA-N	494.504	2.558	10	40	JFCB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CCOCC4)cc3)c(=O)n2[C@@H]1c1ccccc1	9678594	YWXDSKQZJXAVFZ-CAZPATRMSA-N	489.597	2.635	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3cc(=O)c(OCc4cccc(OC)c4)cn3C)CC2)cc1	12069885	FORNLLCSHQWDHU-UHFFFAOYSA-N	463.534	2.944	10	40	JFCB	
COc1cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCN(C)CC2)cc(OC)c1OC	22734712	DYDBUUTYIYUVQB-QHCPKHFHSA-N	482.625	2.813	10	40	JFCB	
COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)=O	108202679	VVENRBRRIGQGCH-ZSOIEALJSA-N	478.242	2.687	10	40	JFCB	
O=C(C[C@H](c1ccsc1)c1c(O)n2ccccc2nc1=O)NCCc1ccc(O)c(O)c1	230483956	TYNFESCYZIQCRF-MRXNPFEDSA-N	451.504	2.754	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(S(=O)(=O)N(CC)CC)cc3)C2=O)cc1	408528367	HLKSZVLTAARTMX-HMMYKYKNSA-N	486.550	2.695	10	40	JFCB	
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(C)C)C3=O)c(N3CCC(C(N)=O)CC3)nc12	8827821	AMLPOJDCOPNQJW-AQTBWJFISA-N	499.662	2.952	10	40	JFCB	
CCOC(=O)[C@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21	245230013	KAAOTIJMRYFMMU-FBROZUCGSA-N	451.523	2.533	10	40	JFCB	
COc1ccc(N2CCN(C(=O)c3cccc(Oc4ncccn4)c3)[C@@H](C(=O)N(C)C)C2)cc1	257253000	JXEGONXWLMLISE-JOCHJYFZSA-N	461.522	2.697	10	40	JFCB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)n(CC)c(=O)n4CC)C2=O)cc1	408531272	NPXLUNNQTLTLIA-NBVRZTHBSA-N	463.494	2.820	10	40	JFCB	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(O[C@@H](C)C(=O)NCC(C)C)cc3)CC2)cc1	408601690	GMKFJYNCINOOHH-IBGZPJMESA-N	475.611	2.746	10	40	JFCB